A0A087X8I3_POEFO Loading...

Catenin alpha-1

AlphaFold DB , UniProt , Accession A0A087X8I3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 974 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
1M29.3Very low46.3Very low253 Ų253111.7 Ų111.7100%1.24662%0.621SS**  083.90-72.8179.5-178.700108.1
2T27.1Very low48.4Very low129 Ų129113.2 Ų113.279%0.79162%0.616SS**  trans-98.3117.6172.236.50000107.1I4T2-I4 PolarHBondContact O-N 3.05Å
3S26.9Very low50.2Low102 Ų102105.4 Ų105.471%0.71357%0.572SS**  trans-57.3104170.61780000108.9N5S3-N5 PolarHBondContact O-N 3.37Å
4I33.7Very low51.6Low96 Ų96104.2 Ų104.249%0.49257%0.565SS.*  trans-75.186168.8-58.6177.2000106.2T2 T6T2-I4 PolarHBondContact O-N 3.05Å; I4-T6 VanDerWaalsContact C-N 3.34Å; I4-T6 HydrophobicContact CG2-CG2 3.47Å; I4-T6 VanDerWaalsContact CG2-CG2 3.47Å; I4-T6 PolarHBondContact O-N 3.4Å
5N38.1Very low52.6Low140 Ų140100.5 Ų100.575%0.74955%0.548SS*.  trans-71.596.2157-86.9-10.9000106.3S3 P7S3-N5 PolarHBondContact O-N 3.37Å; N5-P7 VanDerWaalsContact C-CD 3.44Å; N5-P7 WeakPolarHBondContact O-CD 3.49Å
6T43.2Very low53.6Low46 Ų46105.4 Ų105.428%0.28256%0.563SS.*  trans-99.291.3170.926.60000110.4I4I4-T6 VanDerWaalsContact C-N 3.34Å; I4-T6 HydrophobicContact CG2-CG2 3.47Å; I4-T6 VanDerWaalsContact CG2-CG2 3.47Å; I4-T6 PolarHBondContact O-N 3.4Å
7P46.6Very low54.8Low108 Ų108101.2 Ų101.270%0.70154%0.544SS*.  trans-70.7130.4157.230.3-28.6000107.6N5N5-P7 VanDerWaalsContact C-CD 3.44Å; N5-P7 WeakPolarHBondContact O-CD 3.49Å
8N55.5Low55.6Low157 Ų157100.2 Ų100.284%0.8454%0.537SS*.  trans102.334.8177.7-56.3-25.3000118.8
9I67.7Low56.7Low32 Ų3297.9 Ų97.916%0.16452%0.523CS..  trans-85.3111.5157.8-63.5178.9000108.3F11 Y148 L151 V152I9-F11 PolarHBondContact O-N 3.5Å; I9-F11 VanDerWaalsContact O-N 3.07Å; I9-Y148 HydrophobicContact CB-CE2 4.1Å; I9-Y148 HydrophobicContact CD1-CE1 4.24Å; I9-Y148 HydrophobicContact CD1-CE2 4.09Å; I9-Y148 HydrophobicContact CG2-CD2 4.29Å; I9-Y148 HydrophobicContact CG2-CE2 3.89Å; I9-L151 HydrophobicContact CG2-CB 3.95Å; I9-L151 HydrophobicContact CG2-CD1 4.01Å; I9-V152 HydrophobicContact CD1-CB 4.25Å; I9-V152 HydrophobicContact CD1-CG2 3.4Å
10N65.9Low57.7Low126 Ų12695.5 Ų95.567%0.67451%0.509SS*.  trans-78.588.4175.9-170.81.8000109.7Q260N10-Q260 PolarHBondContact O-OE1 3.15Å
11F75.3Confident58.5Low40 Ų4092.1 Ų92.118%0.17549%0.49CS..  trans-93.9121.2179.8-172.1-116000110.5I9 W13 M144 V147 Y148 L151I9-F11 PolarHBondContact O-N 3.5Å; I9-F11 VanDerWaalsContact O-N 3.07Å; F11-W13 HydrophobicContact CD1-CB 4.24Å; F11-W13 HydrophobicContact CE1-CB 3.56Å; F11-W13 HydrophobicContact CE1-CG 4.22Å; F11-W13 HydrophobicContact CE2-CB 4.34Å; F11-W13 HydrophobicContact CE2-CD2 4.46Å; F11-W13 HydrophobicContact CE2-CG 4.12Å; F11-W13 HydrophobicContact CZ-CB 3.62Å; F11-W13 HydrophobicContact CZ-CD2 4.11Å; F11-W13 HydrophobicContact CZ-CE3 4.49Å; F11-W13 AromaticContact CZ-CG 3.78Å; F11-W13 HydrophobicContact CZ-CG 3.78Å; F11-M144 HydrophobicContact CE1-CG 4.43Å; F11-M144 HydrophobicContact CZ-CB 3.96Å; F11-M144 HydrophobicContact CZ-CG 4.01Å; F11-V147 HydrophobicContact CE2-CB 4.32Å; F11-V147 HydrophobicContact CE2-CG1 3.97Å; F11-Y148 HydrophobicContact CD2-CD2 4.43Å; F11-L151 HydrophobicContact CD2-CD1 3.81Å; F11-L151 HydrophobicContact CE2-CD1 4.48Å
12K71.7Confident60.8Low129 Ų12980.1 Ų80.156%0.56143%0.431SS*.  trans-92.92.3-170.8-66.3178.3177174.10115.2Q260K12-Q260 VanDerWaalsContact N-OE1 3.08Å
13W71.8Confident63.3Low12 Ų1276.1 Ų76.15%0.04540%0.404CS..  trans-96.3137.5-172.9-6222.9000111.5F11 P15 R21 D143 M144 V147 R194 Q260F11-W13 HydrophobicContact CD1-CB 4.24Å; F11-W13 HydrophobicContact CE1-CB 3.56Å; F11-W13 HydrophobicContact CE1-CG 4.22Å; F11-W13 HydrophobicContact CE2-CB 4.34Å; F11-W13 HydrophobicContact CE2-CD2 4.46Å; F11-W13 HydrophobicContact CE2-CG 4.12Å; F11-W13 HydrophobicContact CZ-CB 3.62Å; F11-W13 HydrophobicContact CZ-CD2 4.11Å; F11-W13 HydrophobicContact CZ-CE3 4.49Å; F11-W13 AromaticContact CZ-CG 3.78Å; F11-W13 HydrophobicContact CZ-CG 3.78Å; W13-P15 WeakPolarHBondContact O-CD 3.27Å; W13-R21 HydrophobicContact CH2-CB 4.21Å; W13-D143 VanDerWaalsContact CH2-OD2 3.26Å; W13-D143 WeakPolarHBondContact CH2-OD2 3.39Å; W13-D143 WeakPolarHBondContact CZ3-OD2 3.48Å; W13-M144 HydrophobicContact CB-CE 4.1Å; W13-M144 HydrophobicContact CB-CG 4.39Å; W13-M144 HydrophobicContact CD2-CG 4.14Å; W13-M144 HydrophobicContact CE3-CB 4.28Å; W13-M144 HydrophobicContact CE3-CE 3.84Å; W13-M144 HydrophobicContact CE3-CG 3.19Å; W13-M144 HydrophobicContact CE3-SD 4.31Å; W13-M144 HydrophobicContact CZ3-CG 3.69Å; W13-V147 HydrophobicContact CH2-CG2 3.69Å; W13-V147 HydrophobicContact CZ2-CB 4.47Å; W13-V147 HydrophobicContact CZ2-CG1 4.39Å; W13-V147 HydrophobicContact CZ2-CG2 3.78Å; W13-R194 VanDerWaalsContact CZ2-NH2 3.3Å; W13-Q260 PolarHBondContact NE1-O 3.01Å
14D70Confident65.7Low89 Ų8972.7 Ų72.748%0.47638%0.382SS..  trans-85.8116.6172179.75.3000110.2K16 S17 M144D14-K16 PolarHBondContact O-N 3.36Å; D14-K16 WeakPolarHBondContact OD1-CB 3.25Å; D14-K16 PolarHBondContact OD1-N 3.14Å; D14-S17 WeakPolarHBondContact O-CB 3.27Å; D14-S17 PolarHBondContact O-N 2.86Å; D14-M144 WeakPolarHBondContact O-CE 3.3Å
15P66.7Low68Low48 Ų4868.6 Ų68.631%0.31236%0.361SS..THydrogen-bonded Turntrans-59.9-14.7178-22.934.2000115.1W13 H137 L141 M144W13-P15 WeakPolarHBondContact O-CD 3.27Å; P15-H137 PolarHBondContact O-NE2 3.13Å; P15-L141 HydrophobicContact CB-CD2 4.06Å; P15-M144 HydrophobicContact CB-SD 4.42Å
16K67.9Low70Confident180 Ų18066 Ų6678%0.78335%0.345SS*.THydrogen-bonded Turntrans-91.9-9.6177.3-62.3178.9-179.6175.30113.2D14D14-K16 PolarHBondContact O-N 3.36Å; D14-K16 WeakPolarHBondContact OD1-CB 3.25Å; D14-K16 PolarHBondContact OD1-N 3.14Å
17S73.9Confident71.6Confident34 Ų3472.1 Ų72.124%0.23836%0.363CS..  trans-73.5136.8176.8-176.10000110.9D14 E19D14-S17 WeakPolarHBondContact O-CB 3.27Å; D14-S17 PolarHBondContact O-N 2.86Å; S17-E19 VanDerWaalsContact C-N 3.33Å; S17-E19 WeakPolarHBondContact OG-CB 3.49Å; S17-E19 PolarHBondContact OG-N 3.06Å
18L69.9Low72.9Confident82 Ų8268.9 Ų68.943%0.42934%0.339SS..  trans-97.618.7171.3-63.1177.7000112.1I20 T136 H137L18-I20 PolarHBondContact O-N 3.41Å; L18-T136 HydrophobicContact CD2-CG2 4.39Å; L18-H137 HydrophobicContact CD2-CB 3.72Å
19E76.3Confident74Confident57 Ų5761.5 Ų61.527%0.26630%0.3SS..  trans-66.6119.9178.8-169.4-172.4175.700110.7S17 R21 S263S17-E19 VanDerWaalsContact C-N 3.33Å; S17-E19 WeakPolarHBondContact OG-CB 3.49Å; S17-E19 PolarHBondContact OG-N 3.06Å; E19-R21 HydrophobicContact CG-CG 4.11Å; E19-R21 PolarHBondContact O-N 3.42Å; E19-R21 IonicContact OE1-NE 2.79Å; E19-R21 IonicContact OE2-CZ 2.74Å; E19-R21 VanDerWaalsContact OE2-CZ 3.22Å; E19-R21 IonicContact OE2-NE 3.25Å; E19-R21 PolarHBondContact OE2-NE 2.88Å; E19-R21 IonicContact OE2-NH2 3.01Å; E19-R21 PolarHBondContact OE2-NH2 2.9Å; E19-S263 PolarHBondContact OE1-OG 3.46Å
20I77Confident74.2Confident49 Ų4965.8 Ų65.825%0.25132%0.319SS..  trans-85.1108.9179.4-59.8163.2000109L18 V25 E26 L29 T136 K199L18-I20 PolarHBondContact O-N 3.41Å; I20-V25 HydrophobicContact CG1-CG1 4.29Å; I20-V25 HydrophobicContact CG2-CB 3.93Å; I20-V25 HydrophobicContact CG2-CG1 3.73Å; I20-E26 HydrophobicContact CG2-CB 4.05Å; I20-L29 HydrophobicContact CD1-CD1 3.52Å; I20-L29 HydrophobicContact CG1-CD1 4.02Å; I20-T136 HydrophobicContact CG1-CG2 4.33Å; I20-K199 VanDerWaalsContact O-CE 3.22Å; I20-K199 WeakPolarHBondContact O-CE 3.46Å; I20-K199 PolarHBondContact O-NZ 3.47Å
21R73Confident74.4Confident25 Ų2562.7 Ų62.79%0.09431%0.306CS..  trans-103.2-9.4-172.3-63.2178.2-177.5-175.40.3114.8W13 E19W13-R21 HydrophobicContact CH2-CB 4.21Å; E19-R21 HydrophobicContact CG-CG 4.11Å; E19-R21 PolarHBondContact O-N 3.42Å; E19-R21 IonicContact OE1-NE 2.79Å; E19-R21 IonicContact OE2-CZ 2.74Å; E19-R21 VanDerWaalsContact OE2-CZ 3.22Å; E19-R21 IonicContact OE2-NE 3.25Å; E19-R21 PolarHBondContact OE2-NE 2.88Å; E19-R21 IonicContact OE2-NH2 3.01Å; E19-R21 PolarHBondContact OE2-NH2 2.9Å
22T79.2Confident74.2Confident2 Ų263 Ų631%0.01231%0.309CS..BIsolated β-bridgetrans-120.4147.9-179.851.80000113.5A24 V25 E26 D143 E197 K199T22-A24 PolarHBondContact O-N 3.16Å; T22-V25 PolarHBondContact O-N 3.4Å; T22-V25 WeakPolarHBondContact OG1-CB 3.39Å; T22-V25 WeakPolarHBondContact OG1-CG2 3.45Å; T22-E26 PolarHBondContact O-N 2.93Å; T22-E26 VanDerWaalsContact O-N 3.1Å; T22-D143 VanDerWaalsContact CG2-OD1 3.29Å; T22-D143 WeakPolarHBondContact CG2-OD1 3.48Å; T22-D143 WeakPolarHBondContact CG2-OD2 3.35Å; T22-E197 CarbonylContact C-O 3.59Å; T22-E197 VanDerWaalsContact CA-O 3.29Å; T22-E197 WeakPolarHBondContact CA-O 3.45Å; T22-E197 HydrophobicContact CG2-CB 3.86Å; T22-K199 WeakPolarHBondContact O-CE 3.35Å
23L78.9Confident74.2Confident45 Ų4559.8 Ų59.824%0.23630%0.3CS..Hα-helixtrans-62.9-32.1173.2-69.6172.4000112.1E26 R27 E197 K199L23-E26 PolarHBondContact O-N 3.06Å; L23-R27 WeakPolarHBondContact O-CB 3.29Å; L23-R27 WeakPolarHBondContact O-CG 3.44Å; L23-R27 PolarHBondContact O-N 3.27Å; L23-E197 PolarHBondContact N-O 3.35Å; L23-K199 HydrophobicContact CD2-CG 4.17Å; L23-K199 HydrophobicContact CG-CG 4.25Å
24A78.1Confident74Confident30 Ų3062.9 Ų62.925%0.24832%0.321CS..Hα-helixtrans-64.4-50.5177.700000111.3T22 E26 R27 L28T22-A24 PolarHBondContact O-N 3.16Å; A24-E26 VanDerWaalsContact C-N 3.31Å; A24-E26 PolarHBondContact O-N 3.5Å; A24-R27 PolarHBondContact O-N 2.7Å; A24-L28 WeakPolarHBondContact O-CB 3.42Å; A24-L28 WeakPolarHBondContact O-CG 3.46Å; A24-L28 PolarHBondContact O-N 3.35Å
25V80.6Confident73.8Confident9 Ų963.3 Ų63.36%0.05532%0.32CS..Hα-helixtrans-63.5-39.5177.6176.20000110.8I20 T22 L28 L29 L139I20-V25 HydrophobicContact CG1-CG1 4.29Å; I20-V25 HydrophobicContact CG2-CB 3.93Å; I20-V25 HydrophobicContact CG2-CG1 3.73Å; T22-V25 PolarHBondContact O-N 3.4Å; T22-V25 WeakPolarHBondContact OG1-CB 3.39Å; T22-V25 WeakPolarHBondContact OG1-CG2 3.45Å; V25-L28 PolarHBondContact O-N 3.1Å; V25-L29 HydrophobicContact CG1-CD1 3.65Å; V25-L29 HydrophobicContact CG1-CG 4.31Å; V25-L29 WeakPolarHBondContact O-CB 2.85Å; V25-L29 VanDerWaalsContact O-CG 3.27Å; V25-L29 WeakPolarHBondContact O-CG 3.08Å; V25-L29 PolarHBondContact O-N 3.29Å; V25-L139 HydrophobicContact CG1-CB 3.9Å; V25-L139 HydrophobicContact CG1-CD1 4.33Å; V25-L139 HydrophobicContact CG2-CB 4.14Å
26E79.7Confident73.8Confident85 Ų8561.9 Ų61.940%0.39731%0.31SS..Hα-helixtrans-61.7-50.2175.7-177167.9-168.800112.7I20 T22 L23 A24 L28 L29 E30 K199I20-E26 HydrophobicContact CG2-CB 4.05Å; T22-E26 PolarHBondContact O-N 2.93Å; T22-E26 VanDerWaalsContact O-N 3.1Å; L23-E26 PolarHBondContact O-N 3.06Å; A24-E26 VanDerWaalsContact C-N 3.31Å; A24-E26 PolarHBondContact O-N 3.5Å; E26-L28 VanDerWaalsContact C-N 3.27Å; E26-L28 PolarHBondContact O-N 3.4Å; E26-L29 PolarHBondContact O-N 3.13Å; E26-L29 VanDerWaalsContact O-N 3.14Å; E26-E30 WeakPolarHBondContact O-CB 3.34Å; E26-E30 PolarHBondContact O-N 3.38Å; E26-K199 WeakPolarHBondContact OE2-CE 3.36Å; E26-K199 IonicContact OE2-NZ 2.87Å; E26-K199 PolarHBondContact OE2-NZ 2.86Å
27R78Confident73.8Confident176 Ų17656.3 Ų56.366%0.66429%0.291SS*.Hα-helixtrans-61.1-35.7177.2-74.4172.1178.3176.20.2112.5L23 A24 P31L23-R27 WeakPolarHBondContact O-CB 3.29Å; L23-R27 WeakPolarHBondContact O-CG 3.44Å; L23-R27 PolarHBondContact O-N 3.27Å; A24-R27 PolarHBondContact O-N 2.7Å; R27-P31 VanDerWaalsContact O-CD 3.24Å; R27-P31 WeakPolarHBondContact O-CD 3.35Å
28L74.3Confident73.3Confident39 Ų3957.6 Ų57.620%0.20430%0.298CS..Hα-helixtrans-69.4-36.7176.3-72.2171.1000112A24 V25 E26 L139A24-L28 WeakPolarHBondContact O-CB 3.42Å; A24-L28 WeakPolarHBondContact O-CG 3.46Å; A24-L28 PolarHBondContact O-N 3.35Å; V25-L28 PolarHBondContact O-N 3.1Å; E26-L28 VanDerWaalsContact C-N 3.27Å; E26-L28 PolarHBondContact O-N 3.4Å; L28-L139 HydrophobicContact CB-CD1 4.27Å; L28-L139 HydrophobicContact CD1-CD1 4.49Å; L28-L139 HydrophobicContact CD1-CD2 4.23Å
29L77.9Confident72.9Confident3 Ų356.7 Ų56.72%0.01629%0.293CS..Hα-helixtrans-86.3-30.5-177.4-69.7173.8000113.7I20 V25 E26 L32 V33 L132 V135 T136 L139I20-L29 HydrophobicContact CD1-CD1 3.52Å; I20-L29 HydrophobicContact CG1-CD1 4.02Å; V25-L29 HydrophobicContact CG1-CD1 3.65Å; V25-L29 HydrophobicContact CG1-CG 4.31Å; V25-L29 WeakPolarHBondContact O-CB 2.85Å; V25-L29 VanDerWaalsContact O-CG 3.27Å; V25-L29 WeakPolarHBondContact O-CG 3.08Å; V25-L29 PolarHBondContact O-N 3.29Å; E26-L29 PolarHBondContact O-N 3.13Å; E26-L29 VanDerWaalsContact O-N 3.14Å; L29-L32 HydrophobicContact CD2-CD1 4.38Å; L29-L32 WeakPolarHBondContact O-CA 3.41Å; L29-L32 WeakPolarHBondContact O-CB 3.49Å; L29-L32 PolarHBondContact O-N 2.98Å; L29-V33 HydrophobicContact CB-CG2 4.41Å; L29-V33 WeakPolarHBondContact O-CG2 3.28Å; L29-V33 PolarHBondContact O-N 3.13Å; L29-L132 HydrophobicContact CD2-CD1 4.03Å; L29-V135 HydrophobicContact CD2-CG1 4.12Å; L29-T136 HydrophobicContact CD1-CG2 3.8Å; L29-T136 WeakPolarHBondContact CD1-OG1 3.44Å; L29-T136 WeakPolarHBondContact CD2-OG1 3.29Å; L29-L139 HydrophobicContact CD2-CD1 3.94Å; L29-L139 HydrophobicContact CG-CD1 4.05Å
30E72Confident72.2Confident122 Ų12254.6 Ų54.657%0.5728%0.284SS*.Hα-helixtrans-47.9-49.9-178.1-174.7178.5-171.200114.5E26 L32 V33 T34E26-E30 WeakPolarHBondContact O-CB 3.34Å; E26-E30 PolarHBondContact O-N 3.38Å; E30-L32 VanDerWaalsContact C-N 3.33Å; E30-L32 PolarHBondContact O-N 2.82Å; E30-V33 PolarHBondContact O-N 3.42Å; E30-T34 WeakPolarHBondContact O-CB 3.28Å; E30-T34 PolarHBondContact O-N 3.31Å; E30-T34 PolarHBondContact O-OG1 2.96Å
31P71.1Confident71.1Confident60 Ų6056.7 Ų56.739%0.3930%0.296SS..Hα-helixtrans-65.3-36.4177.824.5-33.6000112.3R27 Q35R27-P31 VanDerWaalsContact O-CD 3.24Å; R27-P31 WeakPolarHBondContact O-CD 3.35Å; P31-Q35 WeakPolarHBondContact O-CB 3.46Å; P31-Q35 WeakPolarHBondContact O-CG 3.25Å; P31-Q35 PolarHBondContact O-N 2.66Å
32L69.7Low70.3Confident46 Ų4657.9 Ų57.924%0.24131%0.308CS..Hα-helixtrans-69-46.5178.9-63.5172.2000111.1L29 E30 T34 Q35 V36 L132 V135L29-L32 HydrophobicContact CD2-CD1 4.38Å; L29-L32 WeakPolarHBondContact O-CA 3.41Å; L29-L32 WeakPolarHBondContact O-CB 3.49Å; L29-L32 PolarHBondContact O-N 2.98Å; E30-L32 VanDerWaalsContact C-N 3.33Å; E30-L32 PolarHBondContact O-N 2.82Å; L32-T34 VanDerWaalsContact C-N 3.33Å; L32-T34 PolarHBondContact O-N 3.34Å; L32-Q35 PolarHBondContact O-N 3.03Å; L32-V36 WeakPolarHBondContact O-CB 3.15Å; L32-V36 VanDerWaalsContact O-CG2 3.3Å; L32-V36 WeakPolarHBondContact O-CG2 3.46Å; L32-V36 PolarHBondContact O-N 2.86Å; L32-L132 HydrophobicContact CB-CD1 3.82Å; L32-V135 HydrophobicContact CD1-CG1 4.29Å
33V71.6Confident68.9Low63 Ų6359.9 Ų59.938%0.38232%0.322SS..Hα-helixtrans-58.8-45.7175.7173.10000110.3L29 E30 Q35 V36 T37 L132L29-V33 HydrophobicContact CB-CG2 4.41Å; L29-V33 WeakPolarHBondContact O-CG2 3.28Å; L29-V33 PolarHBondContact O-N 3.13Å; E30-V33 PolarHBondContact O-N 3.42Å; V33-Q35 PolarHBondContact O-N 2.95Å; V33-V36 PolarHBondContact O-N 3.15Å; V33-T37 WeakPolarHBondContact O-CB 3.36Å; V33-T37 PolarHBondContact O-N 2.83Å; V33-T37 PolarHBondContact O-OG1 3.15Å; V33-L132 HydrophobicContact CG2-CD1 4.25Å; V33-L132 HydrophobicContact CG2-CD2 4.08Å
34T67.6Low67.3Low77 Ų7764.1 Ų64.147%0.47235%0.345SS..Hα-helixtrans-61.8-44.3179.5-620000111.7E30 L32 T38E30-T34 WeakPolarHBondContact O-CB 3.28Å; E30-T34 PolarHBondContact O-N 3.31Å; E30-T34 PolarHBondContact O-OG1 2.96Å; L32-T34 VanDerWaalsContact C-N 3.33Å; L32-T34 PolarHBondContact O-N 3.34Å; T34-T38 WeakPolarHBondContact O-CB 3.45Å; T34-T38 PolarHBondContact O-N 3.31Å; T34-T38 PolarHBondContact O-OG1 2.87Å
35Q65.8Low65.9Low98 Ų9869.5 Ų69.546%0.45836%0.363SS..Hα-helixtrans-68.3-45.9179.4-71.8174.825.300112.1P31 L32 V33 T38 L39P31-Q35 WeakPolarHBondContact O-CB 3.46Å; P31-Q35 WeakPolarHBondContact O-CG 3.25Å; P31-Q35 PolarHBondContact O-N 2.66Å; L32-Q35 PolarHBondContact O-N 3.03Å; V33-Q35 PolarHBondContact O-N 2.95Å; Q35-T38 PolarHBondContact O-N 2.89Å; Q35-L39 WeakPolarHBondContact O-CG 3.47Å; Q35-L39 PolarHBondContact O-N 3.44Å
36V67.5Low64.4Low18 Ų1871.8 Ų71.811%0.10939%0.388CS..Hα-helixtrans-62.9-43.6176.5173.70000110.7L32 V33 T38 L39 V40 A128 R129 L132L32-V36 WeakPolarHBondContact O-CB 3.15Å; L32-V36 VanDerWaalsContact O-CG2 3.3Å; L32-V36 WeakPolarHBondContact O-CG2 3.46Å; L32-V36 PolarHBondContact O-N 2.86Å; V33-V36 PolarHBondContact O-N 3.15Å; V36-T38 VanDerWaalsContact C-N 3.32Å; V36-T38 PolarHBondContact O-N 3.43Å; V36-L39 WeakPolarHBondContact O-CB 3.49Å; V36-L39 PolarHBondContact O-N 3.28Å; V36-V40 HydrophobicContact CG1-CG2 4.38Å; V36-V40 WeakPolarHBondContact O-CB 3.49Å; V36-V40 WeakPolarHBondContact O-CG2 3.2Å; V36-V40 PolarHBondContact O-N 3.43Å; V36-A128 HydrophobicContact CG2-CB 4.22Å; V36-R129 HydrophobicContact CG1-CG 3.85Å; V36-L132 HydrophobicContact CB-CD2 4.26Å; V36-L132 HydrophobicContact CG1-CD2 4.35Å; V36-L132 HydrophobicContact CG2-CD2 4.23Å
37T67.4Low62.8Low63 Ų6373.5 Ų73.539%0.38741%0.407SS..Hα-helixtrans-62.8-39.2177.2-59.90000111.6V33 V40 N41V33-T37 WeakPolarHBondContact O-CB 3.36Å; V33-T37 PolarHBondContact O-N 2.83Å; V33-T37 PolarHBondContact O-OG1 3.15Å; T37-V40 PolarHBondContact O-N 3.07Å; T37-N41 WeakPolarHBondContact CG2-ND2 3.2Å; T37-N41 WeakPolarHBondContact O-CB 3.44Å; T37-N41 VanDerWaalsContact O-CG 3.3Å; T37-N41 PolarHBondContact O-N 3.35Å; T37-N41 PolarHBondContact O-ND2 2.99Å
38T63.9Low61.3Low61 Ų6167.1 Ų67.137%0.37439%0.389SS..Hα-helixtrans-65.3-42.2175.2-60.40000111.7T34 Q35 V36 S42 L936T34-T38 WeakPolarHBondContact O-CB 3.45Å; T34-T38 PolarHBondContact O-N 3.31Å; T34-T38 PolarHBondContact O-OG1 2.87Å; Q35-T38 PolarHBondContact O-N 2.89Å; V36-T38 VanDerWaalsContact C-N 3.32Å; V36-T38 PolarHBondContact O-N 3.43Å; T38-S42 WeakPolarHBondContact O-CB 3Å; T38-S42 PolarHBondContact O-N 2.96Å; T38-S42 VanDerWaalsContact O-N 3.08Å; T38-S42 PolarHBondContact O-OG 3.32Å; T38-L936 HydrophobicContact CG2-CD2 4.48Å
39L62Low59.9Low62 Ų6273.5 Ų73.533%0.32542%0.423SS..Hα-helixtrans-61.5-43.9176.2-78.2165.5000111.8Q35 V36 S43 M124 V125Q35-L39 WeakPolarHBondContact O-CG 3.47Å; Q35-L39 PolarHBondContact O-N 3.44Å; V36-L39 WeakPolarHBondContact O-CB 3.49Å; V36-L39 PolarHBondContact O-N 3.28Å; L39-S43 PolarHBondContact O-N 3.06Å; L39-M124 HydrophobicContact CD1-CE 4.43Å; L39-M124 HydrophobicContact CD2-CE 3.81Å; L39-V125 HydrophobicContact CB-CG2 4.28Å
40V60.2Low58.4Low14 Ų1481.1 Ų81.19%0.08546%0.456CS..Hα-helixtrans-65-51176.8167.40000112.3V36 T37 S42 S43 N44 V125 R129V36-V40 HydrophobicContact CG1-CG2 4.38Å; V36-V40 WeakPolarHBondContact O-CB 3.49Å; V36-V40 WeakPolarHBondContact O-CG2 3.2Å; V36-V40 PolarHBondContact O-N 3.43Å; T37-V40 PolarHBondContact O-N 3.07Å; V40-S42 PolarHBondContact O-N 2.87Å; V40-S43 PolarHBondContact O-N 3.23Å; V40-S43 PolarHBondContact O-OG 2.98Å; V40-N44 PolarHBondContact O-N 3.2Å; V40-V125 HydrophobicContact CG2-CG1 3.51Å; V40-R129 VanDerWaalsContact CG2-NH2 3.27Å
41N55.4Low57.1Low93 Ų9385.9 Ų85.950%0.49748%0.475SS..Hα-helixtrans-66.7-26.9-177.5-73-23.7000111.8T37 S43T37-N41 WeakPolarHBondContact CG2-ND2 3.2Å; T37-N41 WeakPolarHBondContact O-CB 3.44Å; T37-N41 VanDerWaalsContact O-CG 3.3Å; T37-N41 PolarHBondContact O-N 3.35Å; T37-N41 PolarHBondContact O-ND2 2.99Å; N41-S43 VanDerWaalsContact C-N 3.33Å
42S55.7Low56.1Low49 Ų4989 Ų8934%0.34348%0.482SS..THydrogen-bonded Turntrans-76.1-17.6172.7-58.30000112.8T38 V40 R121T38-S42 WeakPolarHBondContact O-CB 3Å; T38-S42 PolarHBondContact O-N 2.96Å; T38-S42 VanDerWaalsContact O-N 3.08Å; T38-S42 PolarHBondContact O-OG 3.32Å; V40-S42 PolarHBondContact O-N 2.87Å; S42-R121 VanDerWaalsContact O-CZ 3.28Å; S42-R121 PolarHBondContact O-NH1 2.84Å; S42-R121 PolarHBondContact O-NH2 3.17Å
43S48.7Very low55.1Low45 Ų4590.3 Ų90.332%0.31551%0.507SS..THydrogen-bonded Turntrans-85.4-24.1177.5610000113.5L39 V40 N41 K45L39-S43 PolarHBondContact O-N 3.06Å; V40-S43 PolarHBondContact O-N 3.23Å; V40-S43 PolarHBondContact O-OG 2.98Å; N41-S43 VanDerWaalsContact C-N 3.33Å; S43-K45 VanDerWaalsContact C-N 3.31Å; S43-K45 PolarHBondContact O-N 3.4Å
44N46.9Very low54.2Low134 Ų13497.1 Ų97.172%0.71753%0.526SS*.SBendtrans-78.4-12.9176.7-71.9-0.4000113.9V40V40-N44 PolarHBondContact O-N 3.2Å
45K48.6Very low53.4Low143 Ų14396.9 Ų96.962%0.62253%0.528SS*.SBendtrans-88.1110.3169.4-63.8-178.8-177.8-179.40106.9S43S43-K45 VanDerWaalsContact C-N 3.31Å; S43-K45 PolarHBondContact O-N 3.4Å
46G48.5Very low52.9Low56 Ų56101.7 Ų101.758%0.57755%0.547SS*.PPolyproline II helixtrans-48.6169.4179.600000114.4S48G46-S48 PolarHBondContact O-N 3.18Å; G46-S48 VanDerWaalsContact O-N 3.1Å
47P45.2Very low52.5Low122 Ų122107.5 Ų107.579%0.79257%0.571SS**PPolyproline II helixtrans-54.2121.4-173.820.9-30.4000111.2N49P47-N49 PolarHBondContact O-N 3.5Å
48S47.4Very low52.4Low41 Ų41105.5 Ų105.529%0.28756%0.56SS.*PPolyproline II helixtrans-67.2126.1174.5177.90000108.9G46 K50 K933G46-S48 PolarHBondContact O-N 3.18Å; G46-S48 VanDerWaalsContact O-N 3.1Å; S48-K50 PolarHBondContact O-N 2.98Å; S48-K933 PolarHBondContact OG-NZ 2.75Å
49N45.3Very low52.5Low173 Ų173108.8 Ų108.893%0.92557%0.572SS**SBendtrans-66.321.9176.8-75.9-7.6000115.4P47P47-N49 PolarHBondContact O-N 3.5Å
50K45Very low53Low164 Ų164108.9 Ų108.971%0.71358%0.575SS**SBendtrans-114.8134.7175-67.7-169.4177.9-173.60108.7S48 K52S48-K50 PolarHBondContact O-N 2.98Å; K50-K52 PolarHBondContact O-N 3.49Å
51K45.5Very low53.4Low222 Ų222112.1 Ų112.197%0.96559%0.591SS**  trans-50.9104.5170.4-90.8-179.5174.4175.50108.8G53K51-G53 PolarHBondContact O-N 3.03Å
52K50.9Low54Low124 Ų124108.5 Ų108.554%0.53957%0.574SS.*PPolyproline II helixtrans-74.5122.1175-70.2178.5-178.6177.20107.4K50K50-K52 PolarHBondContact O-N 3.49Å
53G48.3Very low54.8Low75 Ų75108.7 Ų108.777%0.77358%0.579SS**PPolyproline II helixtrans-62.3135.9174.700000110.5K51 S55K51-G53 PolarHBondContact O-N 3.03Å; G53-S55 PolarHBondContact O-N 3.41Å
54R52.4Low55.9Low205 Ų205107.7 Ų107.777%0.77457%0.571SS**PPolyproline II helixtrans-55126.3167.5-78.1179.9171.9175.8-4.4108.2K56R54-K56 PolarHBondContact O-N 3.39Å; R54-K56 VanDerWaalsContact O-N 3.14Å
55S51.1Low57.1Low72 Ų72103.5 Ų103.550%0.50355%0.55SS.*PPolyproline II helixtrans-61.9117.5167.71790000107.6G53 K57 A58G53-S55 PolarHBondContact O-N 3.41Å; S55-K57 PolarHBondContact O-N 3.33Å; S55-A58 PolarHBondContact O-N 2.66Å
56K54.2Low58.4Low200 Ų20099.7 Ų99.787%0.8754%0.535SS*.THydrogen-bonded Turntrans-62.4-6.1-178.3-68.3-175.8176.7-177.30113.5R54R54-K56 PolarHBondContact O-N 3.39Å; R54-K56 VanDerWaalsContact O-N 3.14Å
57K60.7Low59.8Low140 Ų14099.8 Ų99.861%0.60953%0.527SS*.THydrogen-bonded Turntrans-131.722.2-173.1-63.2-171.8176.9-174.60114.4S55 H59 V60 L61S55-K57 PolarHBondContact O-N 3.33Å; K57-H59 VanDerWaalsContact C-N 3.32Å; K57-H59 PolarHBondContact O-N 2.98Å; K57-V60 HydrophobicContact CB-CB 4.24Å; K57-V60 HydrophobicContact CB-CG2 4.19Å; K57-V60 WeakPolarHBondContact O-CB 3.4Å; K57-V60 PolarHBondContact O-N 3.37Å; K57-V60 VanDerWaalsContact O-N 3.08Å; K57-L61 PolarHBondContact O-N 3.29Å; K57-L61 VanDerWaalsContact O-N 3.16Å
58A63.8Low61.4Low20 Ų2094.5 Ų94.517%0.16549%0.494CS..Hα-helixtrans-58.1-41-176.100000113.4S55 V60 L61 A62 A112S55-A58 PolarHBondContact O-N 2.66Å; A58-V60 VanDerWaalsContact C-N 3.34Å; A58-V60 PolarHBondContact O-N 3.07Å; A58-L61 PolarHBondContact O-N 3.11Å; A58-A62 PolarHBondContact O-N 3Å; A58-A62 VanDerWaalsContact O-N 3.08Å; A58-A112 HydrophobicContact CB-CB 3.69Å
59H67.5Low62.9Low131 Ų13193.6 Ų93.661%0.60649%0.486SS*.Hα-helixtrans-63.2-36.7174.760.7-83.6000112.9K57 L61 A62 A63K57-H59 VanDerWaalsContact C-N 3.32Å; K57-H59 PolarHBondContact O-N 2.98Å; H59-L61 VanDerWaalsContact C-N 3.33Å; H59-L61 PolarHBondContact O-N 2.96Å; H59-A62 PolarHBondContact O-N 3.45Å; H59-A63 WeakPolarHBondContact O-CB 3.33Å; H59-A63 PolarHBondContact O-N 3.49Å
60V72.1Confident64.7Low64 Ų6491.7 Ų91.739%0.38847%0.472SS..Hα-helixtrans-65.3-38.4176.7-1750000111.1K57 A58 S64K57-V60 HydrophobicContact CB-CB 4.24Å; K57-V60 HydrophobicContact CB-CG2 4.19Å; K57-V60 WeakPolarHBondContact O-CB 3.4Å; K57-V60 PolarHBondContact O-N 3.37Å; K57-V60 VanDerWaalsContact O-N 3.08Å; A58-V60 VanDerWaalsContact C-N 3.34Å; A58-V60 PolarHBondContact O-N 3.07Å; V60-S64 WeakPolarHBondContact O-CB 3.46Å; V60-S64 PolarHBondContact O-N 2.99Å; V60-S64 PolarHBondContact O-OG 2.93Å
61L67.1Low66.5Low81 Ų8187.2 Ų87.242%0.42446%0.456SS..Hα-helixtrans-70.4-41.5178-65.9172.1000111.6K57 A58 H59 S64 V65K57-L61 PolarHBondContact O-N 3.29Å; K57-L61 VanDerWaalsContact O-N 3.16Å; A58-L61 PolarHBondContact O-N 3.11Å; H59-L61 VanDerWaalsContact C-N 3.33Å; H59-L61 PolarHBondContact O-N 2.96Å; L61-S64 WeakPolarHBondContact O-CB 3.38Å; L61-S64 PolarHBondContact O-N 3.2Å; L61-V65 WeakPolarHBondContact O-CG2 3.35Å; L61-V65 PolarHBondContact O-N 3.36Å
62A70.1Confident68.4Low17 Ų1777.2 Ų77.214%0.1441%0.412CS..Hα-helixtrans-60.9-46.6174.600000111.6A58 H59 S64 V65 E66A58-A62 PolarHBondContact O-N 3Å; A58-A62 VanDerWaalsContact O-N 3.08Å; H59-A62 PolarHBondContact O-N 3.45Å; A62-S64 PolarHBondContact O-N 3.27Å; A62-V65 PolarHBondContact O-N 3.3Å; A62-E66 PolarHBondContact O-N 3.14Å
63A70.8Confident70.1Confident54 Ų5472.1 Ų72.145%0.44639%0.391SS..Hα-helixtrans-62.6-30.6175.300000113.1H59 S67H59-A63 WeakPolarHBondContact O-CB 3.33Å; H59-A63 PolarHBondContact O-N 3.49Å; A63-S67 WeakPolarHBondContact O-CB 3.38Å; A63-S67 PolarHBondContact O-N 3.42Å
64S72.3Confident71.9Confident23 Ų2375 Ų7516%0.16138%0.384CS..Hα-helixtrans-72.3-38176.4-58.10000112.4V60 L61 A62 E66 A68 V962V60-S64 WeakPolarHBondContact O-CB 3.46Å; V60-S64 PolarHBondContact O-N 2.99Å; V60-S64 PolarHBondContact O-OG 2.93Å; L61-S64 WeakPolarHBondContact O-CB 3.38Å; L61-S64 PolarHBondContact O-N 3.2Å; A62-S64 PolarHBondContact O-N 3.27Å; S64-E66 VanDerWaalsContact C-N 3.33Å; S64-A68 WeakPolarHBondContact O-CB 3.29Å; S64-A68 PolarHBondContact O-N 3.22Å; S64-V962 VanDerWaalsContact OG-CG2 3.26Å; S64-V962 WeakPolarHBondContact OG-CG2 3.41Å
65V73.2Confident73.3Confident46 Ų4668 Ų6828%0.27936%0.359SS..Hα-helixtrans-65.6-40.6174172.80000110.4L61 A62 A68 T69 M104L61-V65 WeakPolarHBondContact O-CG2 3.35Å; L61-V65 PolarHBondContact O-N 3.36Å; A62-V65 PolarHBondContact O-N 3.3Å; V65-A68 PolarHBondContact O-N 2.96Å; V65-T69 WeakPolarHBondContact O-CB 3.45Å; V65-T69 PolarHBondContact O-N 3.38Å; V65-T69 PolarHBondContact O-OG1 3.12Å; V65-M104 HydrophobicContact CG1-CG 4.11Å
66E75.4Confident74.9Confident63 Ų6364.7 Ų64.729%0.29434%0.337SS..Hα-helixtrans-58.6-55.8174.1-177177.8167.600111.4A62 S64 A68 T69 E70 R105A62-E66 PolarHBondContact O-N 3.14Å; S64-E66 VanDerWaalsContact C-N 3.33Å; E66-A68 VanDerWaalsContact C-N 3.29Å; E66-A68 PolarHBondContact O-N 3.17Å; E66-T69 PolarHBondContact O-N 3.15Å; E66-T69 VanDerWaalsContact O-N 3.1Å; E66-E70 PolarHBondContact O-N 3.07Å; E66-R105 HydrophobicContact CB-CG 4.43Å; E66-R105 HydrophobicContact CG-CG 4.22Å; E66-R105 IonicContact OE1-CZ 3.34Å; E66-R105 IonicContact OE1-NE 2.92Å; E66-R105 PolarHBondContact OE1-NE 3.4Å; E66-R105 IonicContact OE1-NH2 2.67Å; E66-R105 PolarHBondContact OE1-NH2 2.72Å; E66-R105 IonicContact OE2-CZ 2.72Å; E66-R105 IonicContact OE2-NE 3.56Å; E66-R105 PolarHBondContact OE2-NE 3.37Å; E66-R105 IonicContact OE2-NH2 2.73Å
67S77.4Confident76.5Confident59 Ų5958.3 Ų58.341%0.41331%0.31SS..Hα-helixtrans-59.4-37.7179.21780000113A63 E70 N71A63-S67 WeakPolarHBondContact O-CB 3.38Å; A63-S67 PolarHBondContact O-N 3.42Å; S67-E70 PolarHBondContact O-N 2.72Å; S67-N71 VanDerWaalsContact O-CG 3.23Å; S67-N71 PolarHBondContact O-N 3.28Å; S67-N71 PolarHBondContact O-ND2 3.2Å; S67-N71 VanDerWaalsContact O-ND2 3.12Å
68A77.9Confident77.8Confident11 Ų1157.6 Ų57.69%0.09131%0.307CS..Hα-helixtrans-69.1-36.9177.100000113S64 V65 E66 F72 L965S64-A68 WeakPolarHBondContact O-CB 3.29Å; S64-A68 PolarHBondContact O-N 3.22Å; V65-A68 PolarHBondContact O-N 2.96Å; E66-A68 VanDerWaalsContact C-N 3.29Å; E66-A68 PolarHBondContact O-N 3.17Å; A68-F72 WeakPolarHBondContact O-CB 3.37Å; A68-F72 PolarHBondContact O-N 3.41Å; A68-L965 HydrophobicContact CB-CB 3.77Å; A68-L965 HydrophobicContact CB-CD1 3.67Å; A68-L965 HydrophobicContact CB-CD2 3.84Å; A68-L965 HydrophobicContact CB-CG 3.94Å
69T80.6Confident78.6Confident21 Ų2158.4 Ų58.413%0.12931%0.308CS..Hα-helixtrans-67.7-40.1176.6-52.60000110.4V65 E66 F72 L73 L131V65-T69 WeakPolarHBondContact O-CB 3.45Å; V65-T69 PolarHBondContact O-N 3.38Å; V65-T69 PolarHBondContact O-OG1 3.12Å; E66-T69 PolarHBondContact O-N 3.15Å; E66-T69 VanDerWaalsContact O-N 3.1Å; T69-F72 PolarHBondContact O-N 3.05Å; T69-L73 HydrophobicContact CG2-CD1 4.38Å; T69-L73 VanDerWaalsContact O-CG 3.3Å; T69-L73 WeakPolarHBondContact O-CG 3.36Å; T69-L73 PolarHBondContact O-N 2.86Å; T69-L131 HydrophobicContact CG2-CD1 4.41Å
70E82.1Confident79.5Confident133 Ų13352.3 Ų52.362%0.62128%0.28SS*.Hα-helixtrans-64.9-45.8176.6-168.3165.7-151.600112.3E66 S67 F72 L73 E74E66-E70 PolarHBondContact O-N 3.07Å; S67-E70 PolarHBondContact O-N 2.72Å; E70-F72 VanDerWaalsContact C-N 3.26Å; E70-F72 PolarHBondContact O-N 3.37Å; E70-L73 WeakPolarHBondContact O-CB 3.24Å; E70-L73 PolarHBondContact O-N 3.03Å; E70-E74 PolarHBondContact O-N 3.06Å
71N83.4Confident80.2Confident70 Ų7056 Ų5637%0.37429%0.291SS..Hα-helixtrans-59.7-37.1173.4-70.6-32.3000112.3S67 K75S67-N71 VanDerWaalsContact O-CG 3.23Å; S67-N71 PolarHBondContact O-N 3.28Å; S67-N71 PolarHBondContact O-ND2 3.2Å; S67-N71 VanDerWaalsContact O-ND2 3.12Å; N71-K75 WeakPolarHBondContact O-CG 3.43Å; N71-K75 PolarHBondContact O-N 3Å
72F84.5Confident80.9Confident12 Ų1257.7 Ų57.75%0.05330%0.297CS..Hα-helixtrans-69.3-39.4177.2-176.7-102.9000111.9A68 T69 E70 K75 G76 V97 V135 L138 L139 F968A68-F72 WeakPolarHBondContact O-CB 3.37Å; A68-F72 PolarHBondContact O-N 3.41Å; T69-F72 PolarHBondContact O-N 3.05Å; E70-F72 VanDerWaalsContact C-N 3.26Å; E70-F72 PolarHBondContact O-N 3.37Å; F72-K75 PolarHBondContact O-N 3.31Å; F72-G76 PolarHBondContact O-N 2.84Å; F72-V97 HydrophobicContact CD1-CG1 3.9Å; F72-V97 HydrophobicContact CE1-CG1 4.05Å; F72-V97 HydrophobicContact CE1-CG2 4.35Å; F72-V135 HydrophobicContact CD1-CG2 4.27Å; F72-V135 HydrophobicContact CE1-CB 4.25Å; F72-V135 HydrophobicContact CE1-CG1 3.99Å; F72-V135 HydrophobicContact CE1-CG2 3.83Å; F72-V135 HydrophobicContact CE2-CG1 4.34Å; F72-V135 HydrophobicContact CZ-CB 4.43Å; F72-V135 HydrophobicContact CZ-CG1 3.74Å; F72-V135 HydrophobicContact CZ-CG2 4.43Å; F72-L138 HydrophobicContact CD1-CD2 4.46Å; F72-L138 HydrophobicContact CE1-CD2 3.62Å; F72-L138 HydrophobicContact CE1-CG 4.49Å; F72-L138 HydrophobicContact CZ-CD2 3.97Å; F72-L138 HydrophobicContact CZ-CG 4.47Å; F72-L139 HydrophobicContact CE2-CD2 4.03Å; F72-L139 HydrophobicContact CE2-CG 4.39Å; F72-L139 HydrophobicContact CZ-CD2 4.13Å; F72-L139 HydrophobicContact CZ-CG 4.12Å; F72-F968 HydrophobicContact CD2-CD1 4.49Å; F72-F968 AromaticContact CD2-CE1 3.63Å; F72-F968 HydrophobicContact CD2-CE1 3.63Å; F72-F968 HydrophobicContact CD2-CZ 4.09Å; F72-F968 HydrophobicContact CE2-CE1 4.15Å
73L86.9Confident81.3Confident17 Ų1757.1 Ų57.19%0.08929%0.292CS..Hα-helixtrans-62.9-43.6174.8-74.1168.1000112.1T69 E70 K75 G76 E77 V94 V97 R98T69-L73 HydrophobicContact CG2-CD1 4.38Å; T69-L73 VanDerWaalsContact O-CG 3.3Å; T69-L73 WeakPolarHBondContact O-CG 3.36Å; T69-L73 PolarHBondContact O-N 2.86Å; E70-L73 WeakPolarHBondContact O-CB 3.24Å; E70-L73 PolarHBondContact O-N 3.03Å; L73-K75 VanDerWaalsContact C-N 3.28Å; L73-K75 PolarHBondContact O-N 3.3Å; L73-G76 PolarHBondContact O-N 3.47Å; L73-E77 WeakPolarHBondContact O-CB 3.03Å; L73-E77 WeakPolarHBondContact O-CG 3.23Å; L73-E77 PolarHBondContact O-N 3.15Å; L73-V94 HydrophobicContact CD2-CG1 3.97Å; L73-V94 WeakPolarHBondContact CD2-O 3.25Å; L73-V97 HydrophobicContact CD2-CB 3.99Å; L73-V97 HydrophobicContact CD2-CG1 3.75Å; L73-V97 HydrophobicContact CG-CG1 4.31Å; L73-R98 HydrophobicContact CD1-CB 3.97Å; L73-R98 HydrophobicContact CD1-CG 3.99Å; L73-R98 HydrophobicContact CD2-CB 3.85Å
74E86Confident81.6Confident135 Ų13564 Ų6463%0.63132%0.315SS*.Hα-helixtrans-56.6-44.1177.4-172.4-176.3-177.900111.4E70 K78E70-E74 PolarHBondContact O-N 3.06Å; E74-K78 PolarHBondContact O-N 3.48Å; E74-K78 VanDerWaalsContact O-N 3.13Å
75K82.9Confident81.5Confident58 Ų5867.4 Ų67.425%0.25233%0.327SS..Hα-helixtrans-68.5-43.3176.3-64.4-171.2-177-153.50112.2N71 F72 L73 E77 K78 I79 F968 M971N71-K75 WeakPolarHBondContact O-CG 3.43Å; N71-K75 PolarHBondContact O-N 3Å; F72-K75 PolarHBondContact O-N 3.31Å; L73-K75 VanDerWaalsContact C-N 3.28Å; L73-K75 PolarHBondContact O-N 3.3Å; K75-E77 VanDerWaalsContact C-N 3.34Å; K75-E77 PolarHBondContact O-N 3.47Å; K75-K78 WeakPolarHBondContact O-CB 3.46Å; K75-K78 PolarHBondContact O-N 2.98Å; K75-I79 WeakPolarHBondContact O-CG1 3.22Å; K75-I79 PolarHBondContact O-N 3.46Å; K75-F968 PolarHBondContact NZ-O 3.39Å; K75-M971 HydrophobicContact CB-SD 4.01Å; K75-M971 HydrophobicContact CD-CB 4.05Å; K75-M971 HydrophobicContact CD-CG 4.38Å; K75-M971 HydrophobicContact CD-SD 3.42Å; K75-M971 WeakPolarHBondContact CD-SD 3.42Å; K75-M971 HydrophobicContact CG-SD 4.34Å
76G84.4Confident81.7Confident4 Ų465.6 Ų65.64%0.04132%0.316CS..Hα-helixtrans-59-43.5175.900000112.5F72 L73 K78 I79 A80 V94F72-G76 PolarHBondContact O-N 2.84Å; L73-G76 PolarHBondContact O-N 3.47Å; G76-K78 VanDerWaalsContact C-N 3.35Å; G76-K78 PolarHBondContact O-N 3.11Å; G76-I79 PolarHBondContact O-N 3.16Å; G76-A80 WeakPolarHBondContact O-CB 3.48Å; G76-A80 PolarHBondContact O-N 3.09Å; G76-V94 VanDerWaalsContact C-CG2 3.49Å
77E87.8Confident82.2Confident65 Ų6567.5 Ų67.530%0.30432%0.323SS..Hα-helixtrans-62.5-40.2175.3-76.4-176.2-157.800112.4L73 K75 A80 K81 V94 R98L73-E77 WeakPolarHBondContact O-CB 3.03Å; L73-E77 WeakPolarHBondContact O-CG 3.23Å; L73-E77 PolarHBondContact O-N 3.15Å; K75-E77 VanDerWaalsContact C-N 3.34Å; K75-E77 PolarHBondContact O-N 3.47Å; E77-A80 PolarHBondContact O-N 2.98Å; E77-K81 WeakPolarHBondContact O-CB 3.31Å; E77-K81 WeakPolarHBondContact O-CD 3.48Å; E77-K81 WeakPolarHBondContact O-CG 3.39Å; E77-K81 PolarHBondContact O-N 3.5Å; E77-K81 IonicContact OE2-NZ 3.31Å; E77-K81 PolarHBondContact OE2-NZ 2.93Å; E77-V94 HydrophobicContact CG-CG1 3.73Å; E77-R98 IonicContact OE1-CZ 3.73Å; E77-R98 IonicContact OE1-NH2 3.54Å; E77-R98 PolarHBondContact OE1-NH2 3.12Å
78K86.8Confident82.6Confident125 Ų12570.8 Ų70.854%0.54334%0.336SS..Hα-helixtrans-61.9-48.6175.8-174.1-177.2173.9-171.10110.9E74 K75 G76 A80 K81 E82E74-K78 PolarHBondContact O-N 3.48Å; E74-K78 VanDerWaalsContact O-N 3.13Å; K75-K78 WeakPolarHBondContact O-CB 3.46Å; K75-K78 PolarHBondContact O-N 2.98Å; G76-K78 VanDerWaalsContact C-N 3.35Å; G76-K78 PolarHBondContact O-N 3.11Å; K78-A80 VanDerWaalsContact C-N 3.34Å; K78-A80 PolarHBondContact O-N 3.26Å; K78-K81 PolarHBondContact O-N 3.32Å; K78-E82 WeakPolarHBondContact CE-OE1 3.48Å; K78-E82 WeakPolarHBondContact CG-OE1 3.47Å; K78-E82 WeakPolarHBondContact O-CG 3.46Å; K78-E82 PolarHBondContact O-N 3.28Å
79I82.4Confident83.1Confident37 Ų3774.4 Ų74.419%0.1935%0.351CS..Hα-helixtrans-60-44.5177.7-66.3166.6000110.8K75 G76 K81 E82 S83 L90 A142 M971K75-I79 WeakPolarHBondContact O-CG1 3.22Å; K75-I79 PolarHBondContact O-N 3.46Å; G76-I79 PolarHBondContact O-N 3.16Å; I79-K81 PolarHBondContact O-N 3.46Å; I79-E82 PolarHBondContact O-N 3.02Å; I79-S83 PolarHBondContact O-N 3.48Å; I79-L90 HydrophobicContact CG2-CD1 4.3Å; I79-A142 HydrophobicContact CG2-CB 4.22Å; I79-M971 HydrophobicContact CD1-CE 3.91Å
80A85.1Confident83.4Confident3 Ų373.4 Ų73.43%0.02535%0.345CS..Hα-helixtrans-62.2-42.7177.100000112.1G76 E77 K78 E82 S83 L90G76-A80 WeakPolarHBondContact O-CB 3.48Å; G76-A80 PolarHBondContact O-N 3.09Å; E77-A80 PolarHBondContact O-N 2.98Å; K78-A80 VanDerWaalsContact C-N 3.34Å; K78-A80 PolarHBondContact O-N 3.26Å; A80-E82 PolarHBondContact O-N 3.05Å; A80-S83 PolarHBondContact O-N 3.21Å; A80-L90 HydrophobicContact CB-CB 3.82Å
81K86.3Confident83.8Confident141 Ų14169.8 Ų69.861%0.61333%0.332SS*.Hα-helixtrans-64.4-37.5177.9-76.1166.4-173.1160.10112.7E77 K78 I79E77-K81 WeakPolarHBondContact O-CB 3.31Å; E77-K81 WeakPolarHBondContact O-CD 3.48Å; E77-K81 WeakPolarHBondContact O-CG 3.39Å; E77-K81 PolarHBondContact O-N 3.5Å; E77-K81 IonicContact OE2-NZ 3.31Å; E77-K81 PolarHBondContact OE2-NZ 2.93Å; K78-K81 PolarHBondContact O-N 3.32Å; I79-K81 PolarHBondContact O-N 3.46Å
82E81.8Confident84.2Confident118 Ų11869 Ų6955%0.55134%0.335SS*.Hα-helixtrans-81.9-15.9-179.4-69.3175-174.800113.3K78 I79 A80K78-E82 WeakPolarHBondContact CE-OE1 3.48Å; K78-E82 WeakPolarHBondContact CG-OE1 3.47Å; K78-E82 WeakPolarHBondContact O-CG 3.46Å; K78-E82 PolarHBondContact O-N 3.28Å; I79-E82 PolarHBondContact O-N 3.02Å; A80-E82 PolarHBondContact O-N 3.05Å
83S79.5Confident84.5Confident4 Ų468.6 Ų68.63%0.02833%0.334CS..  trans-73.2136.5178.6-167.80000112.1I79 A80 L86 S145I79-S83 PolarHBondContact O-N 3.48Å; A80-S83 PolarHBondContact O-N 3.21Å; S83-L86 PolarHBondContact OG-N 3.29Å; S83-S145 PolarHBondContact OG-OG 3.42Å; S83-S145 VanDerWaalsContact OG-OG 3.07Å
84Q77.4Confident84.8Confident198 Ų19867.9 Ų67.993%0.92533%0.33SS*.SBendtrans-101.9-15179.3-65.1-178.42.700113.6
85F69.9Low85.1Confident95 Ų9566.1 Ų66.142%0.41732%0.322SS..SBendtrans-124.9-32.9-169.6-177.9-106000114.4Y148F85-Y148 HydrophobicContact CB-CD1 3.63Å; F85-Y148 HydrophobicContact CB-CE1 3.53Å; F85-Y148 HydrophobicContact CB-CG 4.26Å; F85-Y148 AromaticContact CD1-CD1 3.79Å; F85-Y148 HydrophobicContact CD1-CD1 3.79Å; F85-Y148 AromaticContact CD1-CD2 3.4Å; F85-Y148 HydrophobicContact CD1-CD2 3.4Å; F85-Y148 VanDerWaalsContact CD1-CD2 3.4Å; F85-Y148 AromaticContact CD1-CE1 3.86Å; F85-Y148 HydrophobicContact CD1-CE1 3.86Å; F85-Y148 AromaticContact CD1-CE2 3.47Å; F85-Y148 HydrophobicContact CD1-CE2 3.47Å; F85-Y148 VanDerWaalsContact CD1-CE2 3.47Å; F85-Y148 AromaticContact CD1-CG 3.56Å; F85-Y148 HydrophobicContact CD1-CG 3.56Å; F85-Y148 AromaticContact CD1-CZ 3.68Å; F85-Y148 HydrophobicContact CD2-CD1 4.38Å; F85-Y148 HydrophobicContact CD2-CD2 4.5Å; F85-Y148 AromaticContact CD2-CE1 3.63Å; F85-Y148 HydrophobicContact CD2-CE1 3.63Å; F85-Y148 AromaticContact CD2-CE2 3.77Å; F85-Y148 HydrophobicContact CD2-CE2 3.77Å; F85-Y148 AromaticContact CD2-CZ 3.25Å; F85-Y148 WeakPolarHBondContact CD2-OH 3.24Å; F85-Y148 AromaticContact CE1-CD2 3.44Å; F85-Y148 HydrophobicContact CE1-CD2 3.44Å; F85-Y148 VanDerWaalsContact CE1-CD2 3.44Å; F85-Y148 AromaticContact CE1-CE2 3.32Å; F85-Y148 HydrophobicContact CE1-CE2 3.32Å; F85-Y148 HydrophobicContact CE1-CG 4.09Å; F85-Y148 AromaticContact CE1-CZ 3.9Å; F85-Y148 HydrophobicContact CE2-CE1 4.3Å; F85-Y148 AromaticContact CE2-CE2 3.61Å; F85-Y148 HydrophobicContact CE2-CE2 3.61Å; F85-Y148 AromaticContact CE2-CZ 3.47Å; F85-Y148 VanDerWaalsContact CE2-CZ 3.47Å; F85-Y148 VanDerWaalsContact CE2-OH 3.23Å; F85-Y148 WeakPolarHBondContact CE2-OH 3.5Å; F85-Y148 AromaticContact CG-CD1 3.67Å; F85-Y148 HydrophobicContact CG-CD1 3.67Å; F85-Y148 AromaticContact CG-CD2 3.98Å; F85-Y148 HydrophobicContact CG-CD2 3.98Å; F85-Y148 AromaticContact CG-CE1 3.37Å; F85-Y148 HydrophobicContact CG-CE1 3.37Å; F85-Y148 AromaticContact CG-CE2 3.71Å; F85-Y148 HydrophobicContact CG-CE2 3.71Å; F85-Y148 AromaticContact CG-CG 3.95Å; F85-Y148 HydrophobicContact CG-CG 3.95Å; F85-Y148 AromaticContact CG-CZ 3.37Å; F85-Y148 HydrophobicContact CZ-CD2 4.02Å; F85-Y148 AromaticContact CZ-CE2 3.39Å; F85-Y148 HydrophobicContact CZ-CE2 3.39Å; F85-Y148 AromaticContact CZ-CZ 3.79Å
86L78.1Confident85.6Confident8 Ų867.1 Ų67.14%0.04233%0.33CS..SBendtrans-115.331177.2-65.2175.5000111.3S83 D88 E89 L90 M144S83-L86 PolarHBondContact OG-N 3.29Å; L86-D88 VanDerWaalsContact C-N 3.35Å; L86-D88 PolarHBondContact O-N 3.17Å; L86-E89 WeakPolarHBondContact CA-OE2 3.44Å; L86-L90 HydrophobicContact CB-CD1 4.16Å; L86-L90 HydrophobicContact CB-CG 4.3Å; L86-L90 WeakPolarHBondContact O-CB 2.96Å; L86-L90 WeakPolarHBondContact O-CD1 3.47Å; L86-L90 VanDerWaalsContact O-CG 3.29Å; L86-L90 WeakPolarHBondContact O-CG 3.46Å; L86-L90 PolarHBondContact O-N 3.1Å; L86-M144 HydrophobicContact CD1-CB 3.67Å
87K85.1Confident86Confident104 Ų10466.9 Ų66.945%0.45233%0.328SS..Hα-helixtrans-61.5-44.9-172.1-179170.9-179.6-178.60111.6T91K87-T91 VanDerWaalsContact O-CB 3.24Å; K87-T91 WeakPolarHBondContact O-CB 3.2Å; K87-T91 PolarHBondContact O-N 2.97Å; K87-T91 PolarHBondContact O-OG1 3.39Å
88D86.5Confident86.3Confident127 Ų12767.2 Ų67.268%0.67933%0.326SS*.Hα-helixtrans-71.8-41.5-176.2-65.2-22.4000110.8L86 T91 A92L86-D88 VanDerWaalsContact C-N 3.35Å; L86-D88 PolarHBondContact O-N 3.17Å; D88-T91 PolarHBondContact O-N 3.45Å; D88-A92 WeakPolarHBondContact O-CB 3.25Å; D88-A92 PolarHBondContact O-N 3.19Å
89E86.9Confident86.7Confident88 Ų8868 Ų6841%0.41133%0.33SS..Hα-helixtrans-66.4-43.8175.9-65.581.2178.400112.4L86 T91 A92 A93 L141L86-E89 WeakPolarHBondContact CA-OE2 3.44Å; E89-T91 VanDerWaalsContact C-N 3.34Å; E89-A92 PolarHBondContact O-N 3.35Å; E89-A93 WeakPolarHBondContact O-CB 3.41Å; E89-A93 PolarHBondContact O-N 3.26Å; E89-L141 HydrophobicContact CB-CD1 4.33Å; E89-L141 HydrophobicContact CB-CD2 4.42Å
90L87.1Confident87.2Confident0 Ų068.4 Ų68.40%033%0.331CS..Hα-helixtrans-64.3-41174.8-78.7165.7000111I79 A80 L86 A93 V94 L138 L141 A142I79-L90 HydrophobicContact CG2-CD1 4.3Å; A80-L90 HydrophobicContact CB-CB 3.82Å; L86-L90 HydrophobicContact CB-CD1 4.16Å; L86-L90 HydrophobicContact CB-CG 4.3Å; L86-L90 WeakPolarHBondContact O-CB 2.96Å; L86-L90 WeakPolarHBondContact O-CD1 3.47Å; L86-L90 VanDerWaalsContact O-CG 3.29Å; L86-L90 WeakPolarHBondContact O-CG 3.46Å; L86-L90 PolarHBondContact O-N 3.1Å; L90-A93 PolarHBondContact O-N 2.92Å; L90-V94 WeakPolarHBondContact O-CB 3.37Å; L90-V94 VanDerWaalsContact O-CG2 3.24Å; L90-V94 WeakPolarHBondContact O-CG2 3.41Å; L90-V94 PolarHBondContact O-N 2.89Å; L90-L138 HydrophobicContact CD2-CD1 3.77Å; L90-L141 HydrophobicContact CD2-CB 3.65Å; L90-L141 HydrophobicContact CG-CB 4.3Å; L90-A142 HydrophobicContact CD2-CB 4.46Å
91T91.4Very high87.4Confident57 Ų5768.6 Ų68.635%0.3533%0.333SS..Hα-helixtrans-63-45.2176.4-57.80000110.4K87 D88 E89 A93 V94 E95K87-T91 VanDerWaalsContact O-CB 3.24Å; K87-T91 WeakPolarHBondContact O-CB 3.2Å; K87-T91 PolarHBondContact O-N 2.97Å; K87-T91 PolarHBondContact O-OG1 3.39Å; D88-T91 PolarHBondContact O-N 3.45Å; E89-T91 VanDerWaalsContact C-N 3.34Å; T91-A93 PolarHBondContact O-N 3.35Å; T91-V94 PolarHBondContact O-N 3.33Å; T91-E95 WeakPolarHBondContact O-CG 3.43Å; T91-E95 PolarHBondContact O-N 3.33Å
92A91.5Very high87.6Confident53 Ų5366.7 Ų66.744%0.43833%0.327SS..Hα-helixtrans-62.1-42175.700000112.5D88 E89 V94 E95 D96D88-A92 WeakPolarHBondContact O-CB 3.25Å; D88-A92 PolarHBondContact O-N 3.19Å; E89-A92 PolarHBondContact O-N 3.35Å; A92-V94 VanDerWaalsContact C-N 3.34Å; A92-V94 PolarHBondContact O-N 3.44Å; A92-E95 WeakPolarHBondContact O-CB 3.36Å; A92-E95 PolarHBondContact O-N 3.43Å; A92-D96 PolarHBondContact O-N 3.46Å
93A90.9Very high88.1Confident3 Ų363.5 Ų63.53%0.02532%0.318CS..Hα-helixtrans-65-37.1176.500000112.3E89 L90 T91 D96 V97 L138 L141E89-A93 WeakPolarHBondContact O-CB 3.41Å; E89-A93 PolarHBondContact O-N 3.26Å; L90-A93 PolarHBondContact O-N 2.92Å; T91-A93 PolarHBondContact O-N 3.35Å; A93-D96 PolarHBondContact O-N 2.8Å; A93-V97 VanDerWaalsContact O-CG2 3.31Å; A93-V97 WeakPolarHBondContact O-CG2 3.24Å; A93-V97 PolarHBondContact O-N 2.85Å; A93-L138 HydrophobicContact CB-CB 4.23Å; A93-L138 HydrophobicContact CB-CD1 3.99Å; A93-L141 HydrophobicContact CB-CD1 3.7Å
94V92.6Very high88.6Confident3 Ų364.1 Ų64.12%0.01832%0.32CS..Hα-helixtrans-63.8-43.2172.1170.10000111L73 G76 E77 L90 T91 A92 D96 V97 R98 L138L73-V94 HydrophobicContact CD2-CG1 3.97Å; L73-V94 WeakPolarHBondContact CD2-O 3.25Å; G76-V94 VanDerWaalsContact C-CG2 3.49Å; E77-V94 HydrophobicContact CG-CG1 3.73Å; L90-V94 WeakPolarHBondContact O-CB 3.37Å; L90-V94 VanDerWaalsContact O-CG2 3.24Å; L90-V94 WeakPolarHBondContact O-CG2 3.41Å; L90-V94 PolarHBondContact O-N 2.89Å; T91-V94 PolarHBondContact O-N 3.33Å; A92-V94 VanDerWaalsContact C-N 3.34Å; A92-V94 PolarHBondContact O-N 3.44Å; V94-D96 VanDerWaalsContact C-N 3.33Å; V94-D96 PolarHBondContact O-N 3.06Å; V94-V97 PolarHBondContact O-N 3.38Å; V94-R98 PolarHBondContact O-N 3.1Å; V94-L138 HydrophobicContact CG2-CD1 3.79Å; V94-L138 HydrophobicContact CG2-CD2 3.84Å
95E93.4Very high89.1Confident97 Ų9759.4 Ų59.445%0.45329%0.294SS..Hα-helixtrans-60.6-41.2173.8-69.1-52.6133.100112.3T91 A92 R98 K99T91-E95 WeakPolarHBondContact O-CG 3.43Å; T91-E95 PolarHBondContact O-N 3.33Å; A92-E95 WeakPolarHBondContact O-CB 3.36Å; A92-E95 PolarHBondContact O-N 3.43Å; E95-R98 WeakPolarHBondContact O-CB 3.26Å; E95-R98 PolarHBondContact O-N 3.02Å; E95-R98 IonicContact OE1-CZ 2.96Å; E95-R98 IonicContact OE1-NH1 3.74Å; E95-R98 PolarHBondContact OE1-NH1 3.07Å; E95-R98 IonicContact OE1-NH2 2.95Å; E95-R98 IonicContact OE2-CZ 2.87Å; E95-R98 IonicContact OE2-NH1 3.89Å; E95-R98 PolarHBondContact OE2-NH1 3.03Å; E95-K99 WeakPolarHBondContact O-CB 3.31Å; E95-K99 PolarHBondContact O-N 3.48Å
96D93.1Very high90Very high79 Ų7960.6 Ų60.642%0.42230%0.301SS..Hα-helixtrans-65.3-43.1176.5-83.8-18.9000111.8A92 A93 V94 R98 K99 Q100A92-D96 PolarHBondContact O-N 3.46Å; A93-D96 PolarHBondContact O-N 2.8Å; V94-D96 VanDerWaalsContact C-N 3.33Å; V94-D96 PolarHBondContact O-N 3.06Å; D96-R98 VanDerWaalsContact C-N 3.28Å; D96-R98 PolarHBondContact O-N 3.42Å; D96-K99 PolarHBondContact O-N 3.45Å; D96-Q100 WeakPolarHBondContact O-CG 3.38Å; D96-Q100 PolarHBondContact O-N 3.12Å
97V92.5Very high90.5Very high0 Ų060.6 Ų60.60%030%0.302CS..Hα-helixtrans-59.7-40.4172.8173.70000110.7F72 L73 A93 V94 Q100 G101 L131 A134 V135 L138F72-V97 HydrophobicContact CD1-CG1 3.9Å; F72-V97 HydrophobicContact CE1-CG1 4.05Å; F72-V97 HydrophobicContact CE1-CG2 4.35Å; L73-V97 HydrophobicContact CD2-CB 3.99Å; L73-V97 HydrophobicContact CD2-CG1 3.75Å; L73-V97 HydrophobicContact CG-CG1 4.31Å; A93-V97 VanDerWaalsContact O-CG2 3.31Å; A93-V97 WeakPolarHBondContact O-CG2 3.24Å; A93-V97 PolarHBondContact O-N 2.85Å; V94-V97 PolarHBondContact O-N 3.38Å; V97-Q100 PolarHBondContact O-N 2.87Å; V97-G101 WeakPolarHBondContact O-CA 3.41Å; V97-G101 PolarHBondContact O-N 3.4Å; V97-L131 HydrophobicContact CG1-CD1 4.27Å; V97-A134 HydrophobicContact CG2-CB 3.8Å; V97-A134 WeakPolarHBondContact CG2-O 3.4Å; V97-V135 HydrophobicContact CG1-CG2 4.22Å; V97-V135 HydrophobicContact CG2-CG2 4.39Å; V97-L138 HydrophobicContact CG2-CB 4.14Å; V97-L138 HydrophobicContact CG2-CD2 4.08Å
98R93.7Very high90.4Very high72 Ų7256.1 Ų56.127%0.27228%0.284SS..Hα-helixtrans-63.2-46.8177.7-172.4179-63.195.7-2.8111.3L73 E77 V94 E95 D96 G101 E102L73-R98 HydrophobicContact CD1-CB 3.97Å; L73-R98 HydrophobicContact CD1-CG 3.99Å; L73-R98 HydrophobicContact CD2-CB 3.85Å; E77-R98 IonicContact OE1-CZ 3.73Å; E77-R98 IonicContact OE1-NH2 3.54Å; E77-R98 PolarHBondContact OE1-NH2 3.12Å; V94-R98 PolarHBondContact O-N 3.1Å; E95-R98 WeakPolarHBondContact O-CB 3.26Å; E95-R98 PolarHBondContact O-N 3.02Å; E95-R98 IonicContact OE1-CZ 2.96Å; E95-R98 IonicContact OE1-NH1 3.74Å; E95-R98 PolarHBondContact OE1-NH1 3.07Å; E95-R98 IonicContact OE1-NH2 2.95Å; E95-R98 IonicContact OE2-CZ 2.87Å; E95-R98 IonicContact OE2-NH1 3.89Å; E95-R98 PolarHBondContact OE2-NH1 3.03Å; D96-R98 VanDerWaalsContact C-N 3.28Å; D96-R98 PolarHBondContact O-N 3.42Å; R98-G101 PolarHBondContact O-N 2.9Å; R98-E102 PolarHBondContact O-N 3.26Å
99K94.9Very high90.3Very high141 Ų14151.3 Ų51.361%0.61326%0.264SS*.Hα-helixtrans-61.4-47.2177.1-179.9-178.8175.5-177.20112.3E95 D96 G101 S103E95-K99 WeakPolarHBondContact O-CB 3.31Å; E95-K99 PolarHBondContact O-N 3.48Å; D96-K99 PolarHBondContact O-N 3.45Å; K99-G101 VanDerWaalsContact C-N 3.32Å; K99-S103 PolarHBondContact O-N 3.24Å
100Q93.8Very high90.2Very high45 Ų4550.1 Ų50.121%0.2126%0.259CS..Hα-helixtrans-70.3-31.3177.9-59.7-46-40.400112D96 V97 S103 M104 A130 L131 A134D96-Q100 WeakPolarHBondContact O-CG 3.38Å; D96-Q100 PolarHBondContact O-N 3.12Å; V97-Q100 PolarHBondContact O-N 2.87Å; Q100-S103 PolarHBondContact O-N 3.03Å; Q100-M104 WeakPolarHBondContact O-CB 3.47Å; Q100-M104 PolarHBondContact O-N 3.44Å; Q100-A130 HydrophobicContact CG-CB 4.27Å; Q100-L131 HydrophobicContact CB-CB 4.22Å; Q100-L131 HydrophobicContact CB-CD1 4.17Å; Q100-A134 HydrophobicContact CB-CB 4.43Å; Q100-A134 HydrophobicContact CG-CB 4.03Å
101G90.2Very high90.1Very high8 Ų852.3 Ų52.38%0.08227%0.268CS..Hα-helixtrans-60.1-47.7173.400000112.4V97 R98 K99 M104 R105V97-G101 WeakPolarHBondContact O-CA 3.41Å; V97-G101 PolarHBondContact O-N 3.4Å; R98-G101 PolarHBondContact O-N 2.9Å; K99-G101 VanDerWaalsContact C-N 3.32Å; G101-M104 PolarHBondContact O-N 2.98Å; G101-R105 WeakPolarHBondContact O-CB 3.21Å; G101-R105 PolarHBondContact O-N 3.17Å
102E90.5Very high89.5Confident100 Ų10050.8 Ų50.847%0.46726%0.261SS..Hα-helixtrans-65.3-41.1177.2-169.159.1-149.800111.8R98 M104 R105 Q106R98-E102 PolarHBondContact O-N 3.26Å; E102-M104 VanDerWaalsContact C-N 3.31Å; E102-M104 PolarHBondContact O-N 2.99Å; E102-R105 WeakPolarHBondContact O-CB 3.43Å; E102-R105 PolarHBondContact O-N 3.08Å; E102-R105 IonicContact OE1-NH1 3.82Å; E102-R105 PolarHBondContact OE1-NH1 3.01Å; E102-R105 VanDerWaalsContact OE1-NH1 3.09Å; E102-R105 IonicContact OE2-NH1 3.78Å; E102-R105 PolarHBondContact OE2-NH1 3.48Å; E102-Q106 PolarHBondContact O-N 3.04Å
103S92.3Very high89.1Confident52 Ų5255.3 Ų55.336%0.36427%0.273SS..Hα-helixtrans-59.4-41.7173.3-177.30000112.1K99 Q100 A107K99-S103 PolarHBondContact O-N 3.24Å; Q100-S103 PolarHBondContact O-N 3.03Å; S103-A107 VanDerWaalsContact O-CB 3.31Å; S103-A107 WeakPolarHBondContact O-CB 3.25Å; S103-A107 PolarHBondContact O-N 2.67Å
104M89.3Confident88.5Confident16 Ų1658 Ų588%0.07929%0.288CS..Hα-helixtrans-66.8-41.1175.8-177.158-177.400111.8V65 Q100 G101 E102 S108 M124 A127 A128 L131V65-M104 HydrophobicContact CG1-CG 4.11Å; Q100-M104 WeakPolarHBondContact O-CB 3.47Å; Q100-M104 PolarHBondContact O-N 3.44Å; G101-M104 PolarHBondContact O-N 2.98Å; E102-M104 VanDerWaalsContact C-N 3.31Å; E102-M104 PolarHBondContact O-N 2.99Å; M104-S108 VanDerWaalsContact CE-OG 3.31Å; M104-S108 WeakPolarHBondContact CE-OG 3.41Å; M104-S108 WeakPolarHBondContact O-CB 3.25Å; M104-S108 PolarHBondContact O-N 3.37Å; M104-S108 PolarHBondContact O-OG 3.34Å; M104-M124 HydrophobicContact CE-CG 4.05Å; M104-M124 HydrophobicContact SD-CG 4.26Å; M104-A127 HydrophobicContact CB-CB 4.26Å; M104-A127 HydrophobicContact SD-CB 4.01Å; M104-A128 HydrophobicContact CE-CB 3.83Å; M104-A128 HydrophobicContact SD-CB 3.79Å; M104-L131 HydrophobicContact CB-CD2 3.95Å; M104-L131 HydrophobicContact CG-CD2 3.92Å
105R87Confident87.4Confident99 Ų9959.8 Ų59.837%0.37430%0.299SS..Hα-helixtrans-58.5-51.9175.6-177.5-164.7-178.9-166.614.5111.2E66 G101 E102 S108 G109E66-R105 HydrophobicContact CB-CG 4.43Å; E66-R105 HydrophobicContact CG-CG 4.22Å; E66-R105 IonicContact OE1-CZ 3.34Å; E66-R105 IonicContact OE1-NE 2.92Å; E66-R105 PolarHBondContact OE1-NE 3.4Å; E66-R105 IonicContact OE1-NH2 2.67Å; E66-R105 PolarHBondContact OE1-NH2 2.72Å; E66-R105 IonicContact OE2-CZ 2.72Å; E66-R105 IonicContact OE2-NE 3.56Å; E66-R105 PolarHBondContact OE2-NE 3.37Å; E66-R105 IonicContact OE2-NH2 2.73Å; G101-R105 WeakPolarHBondContact O-CB 3.21Å; G101-R105 PolarHBondContact O-N 3.17Å; E102-R105 WeakPolarHBondContact O-CB 3.43Å; E102-R105 PolarHBondContact O-N 3.08Å; E102-R105 IonicContact OE1-NH1 3.82Å; E102-R105 PolarHBondContact OE1-NH1 3.01Å; E102-R105 VanDerWaalsContact OE1-NH1 3.09Å; E102-R105 IonicContact OE2-NH1 3.78Å; E102-R105 PolarHBondContact OE2-NH1 3.48Å; R105-S108 PolarHBondContact O-N 3.34Å; R105-G109 PolarHBondContact O-N 3Å
106Q89.3Confident86.4Confident120 Ų12059.8 Ų59.856%0.56131%0.309SS*.Hα-helixtrans-59.8-52.1178.4-175.5-176.4-300111.4E102 S108 G109 E110E102-Q106 PolarHBondContact O-N 3.04Å; Q106-S108 VanDerWaalsContact C-N 3.28Å; Q106-S108 PolarHBondContact O-N 3.32Å; Q106-G109 PolarHBondContact O-N 2.86Å; Q106-E110 WeakPolarHBondContact CG-OE1 3.19Å; Q106-E110 PolarHBondContact NE2-OE1 2.96Å; Q106-E110 WeakPolarHBondContact O-CG 3.23Å; Q106-E110 PolarHBondContact O-N 3.42Å
107A87.8Confident85.7Confident9 Ų957.3 Ų57.37%0.07430%0.298CS..Hα-helixtrans-64.5-33-178.100000112.7S103 F111 M124 A127S103-A107 VanDerWaalsContact O-CB 3.31Å; S103-A107 WeakPolarHBondContact O-CB 3.25Å; S103-A107 PolarHBondContact O-N 2.67Å; A107-F111 VanDerWaalsContact O-CB 3.29Å; A107-F111 WeakPolarHBondContact O-CB 3.43Å; A107-F111 PolarHBondContact O-N 3.27Å; A107-F111 VanDerWaalsContact O-N 3.13Å; A107-M124 HydrophobicContact CB-CB 4.27Å; A107-A127 HydrophobicContact CB-CB 4.09Å
108S84Confident84.9Confident10 Ų1062 Ų627%0.0733%0.33CS..Hα-helixtrans-70.9-39174.7-59.40000112.1M104 R105 Q106 A112M104-S108 VanDerWaalsContact CE-OG 3.31Å; M104-S108 WeakPolarHBondContact CE-OG 3.41Å; M104-S108 WeakPolarHBondContact O-CB 3.25Å; M104-S108 PolarHBondContact O-N 3.37Å; M104-S108 PolarHBondContact O-OG 3.34Å; R105-S108 PolarHBondContact O-N 3.34Å; Q106-S108 VanDerWaalsContact C-N 3.28Å; Q106-S108 PolarHBondContact O-N 3.32Å; S108-A112 VanDerWaalsContact O-CB 3.25Å; S108-A112 WeakPolarHBondContact O-CB 3.45Å; S108-A112 PolarHBondContact O-N 2.97Å
109G83.8Confident84.3Confident26 Ų2663.2 Ų63.227%0.26835%0.346SS..Hα-helixtrans-62.9-51.4174.100000112R105 Q106 F111 A112 E113R105-G109 PolarHBondContact O-N 3Å; Q106-G109 PolarHBondContact O-N 2.86Å; G109-F111 VanDerWaalsContact C-N 3.28Å; G109-F111 PolarHBondContact O-N 3.13Å; G109-A112 WeakPolarHBondContact O-CB 3.5Å; G109-A112 PolarHBondContact O-N 3.37Å; G109-E113 PolarHBondContact O-N 3.38Å
110E85.9Confident83.6Confident63 Ų6359 Ų5929%0.29433%0.327SS..Hα-helixtrans-59.1-39.2178-71.1177.9-164.300112.4Q106 D114 K120Q106-E110 WeakPolarHBondContact CG-OE1 3.19Å; Q106-E110 PolarHBondContact NE2-OE1 2.96Å; Q106-E110 WeakPolarHBondContact O-CG 3.23Å; Q106-E110 PolarHBondContact O-N 3.42Å; E110-D114 PolarHBondContact O-N 3.22Å; E110-K120 HydrophobicContact CB-CD 4.41Å; E110-K120 WeakPolarHBondContact O-CD 3.42Å; E110-K120 PolarHBondContact O-NZ 3.49Å
111F83.3Confident82.9Confident45 Ų4559.1 Ų59.120%0.19733%0.326CS..Hα-helixtrans-71.5-34.2174.6175.8-104.1000112.7A107 G109 E113 D114 P115 R121 M124A107-F111 VanDerWaalsContact O-CB 3.29Å; A107-F111 WeakPolarHBondContact O-CB 3.43Å; A107-F111 PolarHBondContact O-N 3.27Å; A107-F111 VanDerWaalsContact O-N 3.13Å; G109-F111 VanDerWaalsContact C-N 3.28Å; G109-F111 PolarHBondContact O-N 3.13Å; F111-E113 VanDerWaalsContact C-N 3.29Å; F111-E113 PolarHBondContact O-N 3.32Å; F111-D114 CarbonylContact O-C 3.6Å; F111-D114 PolarHBondContact O-N 3.05Å; F111-P115 HydrophobicContact CE2-CB 4.22Å; F111-P115 WeakPolarHBondContact CE2-O 3.48Å; F111-P115 HydrophobicContact CZ-CB 4.1Å; F111-P115 WeakPolarHBondContact O-CA 3.28Å; F111-R121 HydrophobicContact CD2-CB 3.84Å; F111-R121 HydrophobicContact CD2-CG 4.36Å; F111-R121 HydrophobicContact CE2-CB 3.65Å; F111-R121 HydrophobicContact CE2-CG 3.84Å; F111-R121 HydrophobicContact CZ-CG 4.37Å; F111-M124 HydrophobicContact CB-CB 4.43Å; F111-M124 HydrophobicContact CB-SD 4.17Å; F111-M124 HydrophobicContact CD1-CE 4.15Å; F111-M124 HydrophobicContact CD1-SD 3.44Å; F111-M124 WeakPolarHBondContact CD1-SD 3.43Å; F111-M124 HydrophobicContact CE1-CE 4.21Å; F111-M124 HydrophobicContact CE1-SD 4.04Å; F111-M124 HydrophobicContact CG-SD 3.9Å
112A80.4Confident82.4Confident25 Ų2560 Ų6021%0.20734%0.335CS..Hα-helixtrans-65.4-34.6176.400000112.1A58 S108 G109A58-A112 HydrophobicContact CB-CB 3.69Å; S108-A112 VanDerWaalsContact O-CB 3.25Å; S108-A112 WeakPolarHBondContact O-CB 3.45Å; S108-A112 PolarHBondContact O-N 2.97Å; G109-A112 WeakPolarHBondContact O-CB 3.5Å; G109-A112 PolarHBondContact O-N 3.37Å
113E81.9Confident82.2Confident148 Ų14857.7 Ų57.769%0.69233%0.326SS*.Hα-helixtrans-72.2-38.4174.2-68178.6172.300112.6G109 F111G109-E113 PolarHBondContact O-N 3.38Å; F111-E113 VanDerWaalsContact C-N 3.29Å; F111-E113 PolarHBondContact O-N 3.32Å
114D78.1Confident81.9Confident61 Ų6155.9 Ų55.933%0.32631%0.312SS..  trans-132.978.9178.9-1779.9000112.5E110 F111 C116 S117 K120E110-D114 PolarHBondContact O-N 3.22Å; F111-D114 CarbonylContact O-C 3.6Å; F111-D114 PolarHBondContact O-N 3.05Å; D114-C116 PolarHBondContact O-N 3.39Å; D114-C116 PolarHBondContact OD1-N 3.28Å; D114-S117 PolarHBondContact O-N 3.46Å; D114-S117 PolarHBondContact OD1-N 3.38Å; D114-S117 VanDerWaalsContact OD2-CB 3.27Å; D114-S117 WeakPolarHBondContact OD2-CB 3.17Å; D114-K120 HydrophobicContact CB-CD 3.86Å
115P70.7Confident81.6Confident40 Ų4055.6 Ų55.626%0.2631%0.311SS..THydrogen-bonded Turntrans-74.5-6-176.428.8-35.6000113.4F111F111-P115 HydrophobicContact CE2-CB 4.22Å; F111-P115 WeakPolarHBondContact CE2-O 3.48Å; F111-P115 HydrophobicContact CZ-CB 4.1Å; F111-P115 WeakPolarHBondContact O-CA 3.28Å
116C72.1Confident81.5Confident97 Ų9758.7 Ų58.766%0.65532%0.322SS*.THydrogen-bonded Turntrans-90.9-17.9179.1-70.30000112.4D114 S118D114-C116 PolarHBondContact O-N 3.39Å; D114-C116 PolarHBondContact OD1-N 3.28Å; C116-S118 PolarHBondContact O-N 3.07Å
117S78.3Confident81.4Confident27 Ų2753.3 Ų53.319%0.18930%0.298CS..  trans-69.8118.9176.81740000112.1D114 V119 K120 R121D114-S117 PolarHBondContact O-N 3.46Å; D114-S117 PolarHBondContact OD1-N 3.38Å; D114-S117 VanDerWaalsContact OD2-CB 3.27Å; D114-S117 WeakPolarHBondContact OD2-CB 3.17Å; S117-V119 VanDerWaalsContact C-N 3.3Å; S117-V119 PolarHBondContact OG-N 3.38Å; S117-K120 WeakPolarHBondContact OG-CG 3.46Å; S117-K120 PolarHBondContact OG-N 3.28Å; S117-K120 VanDerWaalsContact OG-N 3.15Å; S117-R121 VanDerWaalsContact O-CB 3.32Å; S117-R121 WeakPolarHBondContact O-CB 3.18Å; S117-R121 PolarHBondContact O-N 2.85Å; S117-R121 VanDerWaalsContact O-N 3.13Å
118S74.9Confident81.3Confident98 Ų9853.2 Ų53.269%0.68530%0.297SS*.Hα-helixtrans-64.8-35.1173.854.40000112C116 G122C116-S118 PolarHBondContact O-N 3.07Å; S118-G122 PolarHBondContact O-N 2.95Å
119V80.8Confident81.4Confident97 Ų9759.1 Ų59.159%0.58832%0.318SS*.Hα-helixtrans-69.4-50.1-179.71800000110.7S117 R121 G122 N123S117-V119 VanDerWaalsContact C-N 3.3Å; S117-V119 PolarHBondContact OG-N 3.38Å; V119-R121 VanDerWaalsContact C-N 3.29Å; V119-R121 PolarHBondContact O-N 3.12Å; V119-G122 WeakPolarHBondContact O-CA 3.28Å; V119-G122 PolarHBondContact O-N 2.86Å; V119-N123 PolarHBondContact O-N 3.31Å
120K81.9Confident81.7Confident52 Ų5259.4 Ų59.423%0.22632%0.318CS..Hα-helixtrans-62.1-38.8178.1-70.1176.5160.5-1650111.8E110 D114 S117 N123 M124E110-K120 HydrophobicContact CB-CD 4.41Å; E110-K120 WeakPolarHBondContact O-CD 3.42Å; E110-K120 PolarHBondContact O-NZ 3.49Å; D114-K120 HydrophobicContact CB-CD 3.86Å; S117-K120 WeakPolarHBondContact OG-CG 3.46Å; S117-K120 PolarHBondContact OG-N 3.28Å; S117-K120 VanDerWaalsContact OG-N 3.15Å; K120-N123 PolarHBondContact O-N 3.31Å; K120-M124 PolarHBondContact O-N 3.39Å
121R78.9Confident81.8Confident48 Ų4857.4 Ų57.418%0.18131%0.309CS..Hα-helixtrans-61.1-43.5171.6-171.5-178.9179.1-150.5-0.8112.6S42 F111 S117 V119 M124 V125S42-R121 VanDerWaalsContact O-CZ 3.28Å; S42-R121 PolarHBondContact O-NH1 2.84Å; S42-R121 PolarHBondContact O-NH2 3.17Å; F111-R121 HydrophobicContact CD2-CB 3.84Å; F111-R121 HydrophobicContact CD2-CG 4.36Å; F111-R121 HydrophobicContact CE2-CB 3.65Å; F111-R121 HydrophobicContact CE2-CG 3.84Å; F111-R121 HydrophobicContact CZ-CG 4.37Å; S117-R121 VanDerWaalsContact O-CB 3.32Å; S117-R121 WeakPolarHBondContact O-CB 3.18Å; S117-R121 PolarHBondContact O-N 2.85Å; S117-R121 VanDerWaalsContact O-N 3.13Å; V119-R121 VanDerWaalsContact C-N 3.29Å; V119-R121 PolarHBondContact O-N 3.12Å; R121-M124 PolarHBondContact O-N 2.98Å; R121-V125 WeakPolarHBondContact O-CG2 3.18Å; R121-V125 PolarHBondContact O-N 3.43Å
122G80Confident81.9Confident26 Ų2656.8 Ų56.827%0.26831%0.308SS..Hα-helixtrans-63.7-38.7176.100000112.9S118 V119 V125 R126S118-G122 PolarHBondContact O-N 2.95Å; V119-G122 WeakPolarHBondContact O-CA 3.28Å; V119-G122 PolarHBondContact O-N 2.86Å; G122-V125 PolarHBondContact O-N 2.91Å; G122-R126 WeakPolarHBondContact O-CG 3.5Å; G122-R126 PolarHBondContact O-N 3.47Å
123N86Confident82.3Confident53 Ų5358.4 Ų58.428%0.28332%0.317SS..Hα-helixtrans-62.5-48.3174-68.5-9.9000111.5V119 K120 V125 R126 A127V119-N123 PolarHBondContact O-N 3.31Å; K120-N123 PolarHBondContact O-N 3.31Å; N123-V125 VanDerWaalsContact C-N 3.33Å; N123-V125 PolarHBondContact O-N 2.92Å; N123-R126 PolarHBondContact O-N 3.33Å; N123-R126 PolarHBondContact OD1-NH2 3.24Å; N123-A127 PolarHBondContact O-N 3.45Å
124M85.3Confident82.7Confident13 Ų1351.9 Ų51.96%0.06429%0.289CS..Hα-helixtrans-58.9-42.1175.9-175.3-163.172.200112.1L39 M104 A107 F111 K120 R121 R126 A127 A128L39-M124 HydrophobicContact CD1-CE 4.43Å; L39-M124 HydrophobicContact CD2-CE 3.81Å; M104-M124 HydrophobicContact CE-CG 4.05Å; M104-M124 HydrophobicContact SD-CG 4.26Å; A107-M124 HydrophobicContact CB-CB 4.27Å; F111-M124 HydrophobicContact CB-CB 4.43Å; F111-M124 HydrophobicContact CB-SD 4.17Å; F111-M124 HydrophobicContact CD1-CE 4.15Å; F111-M124 HydrophobicContact CD1-SD 3.44Å; F111-M124 WeakPolarHBondContact CD1-SD 3.43Å; F111-M124 HydrophobicContact CE1-CE 4.21Å; F111-M124 HydrophobicContact CE1-SD 4.04Å; F111-M124 HydrophobicContact CG-SD 3.9Å; K120-M124 PolarHBondContact O-N 3.39Å; R121-M124 PolarHBondContact O-N 2.98Å; M124-R126 PolarHBondContact O-N 3.22Å; M124-A127 PolarHBondContact O-N 3.46Å; M124-A128 WeakPolarHBondContact O-CB 3.37Å; M124-A128 PolarHBondContact O-N 2.95Å
125V82.3Confident83.2Confident10 Ų1049.6 Ų49.66%0.06128%0.277CS..Hα-helixtrans-64.5-39.3177.3169.90000112L39 V40 R121 G122 N123 A128 R129L39-V125 HydrophobicContact CB-CG2 4.28Å; V40-V125 HydrophobicContact CG2-CG1 3.51Å; R121-V125 WeakPolarHBondContact O-CG2 3.18Å; R121-V125 PolarHBondContact O-N 3.43Å; G122-V125 PolarHBondContact O-N 2.91Å; N123-V125 VanDerWaalsContact C-N 3.33Å; N123-V125 PolarHBondContact O-N 2.92Å; V125-A128 PolarHBondContact O-N 2.98Å; V125-R129 WeakPolarHBondContact O-CG 3.37Å; V125-R129 PolarHBondContact O-N 3.44Å; V125-R129 VanDerWaalsContact O-N 3.07Å
126R86.3Confident84Confident165 Ų16548.4 Ų48.462%0.62327%0.27SS*.Hα-helixtrans-65.8-44.9175.5-75.1-173.2-72.8-156.21111.7G122 N123 M124 A128 R129 A130G122-R126 WeakPolarHBondContact O-CG 3.5Å; G122-R126 PolarHBondContact O-N 3.47Å; N123-R126 PolarHBondContact O-N 3.33Å; N123-R126 PolarHBondContact OD1-NH2 3.24Å; M124-R126 PolarHBondContact O-N 3.22Å; R126-A128 VanDerWaalsContact C-N 3.34Å; R126-A128 PolarHBondContact O-N 3.26Å; R126-R129 PolarHBondContact O-N 3.47Å; R126-A130 PolarHBondContact O-N 2.93Å
127A87.5Confident84.7Confident6 Ų646.4 Ų46.45%0.0525%0.25CS..Hα-helixtrans-61.3-41.9175.800000111.7M104 A107 N123 M124 R129 A130 L131M104-A127 HydrophobicContact CB-CB 4.26Å; M104-A127 HydrophobicContact SD-CB 4.01Å; A107-A127 HydrophobicContact CB-CB 4.09Å; N123-A127 PolarHBondContact O-N 3.45Å; M124-A127 PolarHBondContact O-N 3.46Å; A127-R129 PolarHBondContact O-N 3.23Å; A127-A130 PolarHBondContact O-N 3.32Å; A127-L131 WeakPolarHBondContact O-CB 3.44Å; A127-L131 PolarHBondContact O-N 2.73Å
128A84.9Confident85.2Confident7 Ų745.3 Ų45.36%0.05824%0.242CC..Hα-helixtrans-63.5-38.6176.600000113.1V36 M104 M124 V125 R126 L132V36-A128 HydrophobicContact CG2-CB 4.22Å; M104-A128 HydrophobicContact CE-CB 3.83Å; M104-A128 HydrophobicContact SD-CB 3.79Å; M124-A128 WeakPolarHBondContact O-CB 3.37Å; M124-A128 PolarHBondContact O-N 2.95Å; V125-A128 PolarHBondContact O-N 2.98Å; R126-A128 VanDerWaalsContact C-N 3.34Å; R126-A128 PolarHBondContact O-N 3.26Å; A128-L132 WeakPolarHBondContact O-CB 3.48Å; A128-L132 PolarHBondContact O-N 3.2Å
129R85.9Confident85.8Confident135 Ų13541.1 Ų41.151%0.50921%0.212SC..Hα-helixtrans-67.2-42.3174.5-74.7179.1179.9-169.4-0.2112.2V36 V40 V125 R126 A127 L132 S133V36-R129 HydrophobicContact CG1-CG 3.85Å; V40-R129 VanDerWaalsContact CG2-NH2 3.27Å; V125-R129 WeakPolarHBondContact O-CG 3.37Å; V125-R129 PolarHBondContact O-N 3.44Å; V125-R129 VanDerWaalsContact O-N 3.07Å; R126-R129 PolarHBondContact O-N 3.47Å; A127-R129 PolarHBondContact O-N 3.23Å; R129-L132 PolarHBondContact O-N 3.43Å; R129-S133 PolarHBondContact O-N 3.49Å
130A89.3Confident86Confident32 Ų3236.7 Ų36.726%0.26419%0.185SC..Hα-helixtrans-64.7-42.3177.700000111.1Q100 R126 A127 S133 A134Q100-A130 HydrophobicContact CG-CB 4.27Å; R126-A130 PolarHBondContact O-N 2.93Å; A127-A130 PolarHBondContact O-N 3.32Å; A130-S133 PolarHBondContact O-N 3.05Å; A130-A134 PolarHBondContact O-N 3.06Å
131L88.3Confident86.2Confident21 Ų2134.3 Ų34.311%0.1118%0.175CC..Hα-helixtrans-62-45.4173.7-179.159.7000111.6T69 V97 Q100 M104 A127 S133 A134 V135T69-L131 HydrophobicContact CG2-CD1 4.41Å; V97-L131 HydrophobicContact CG1-CD1 4.27Å; Q100-L131 HydrophobicContact CB-CB 4.22Å; Q100-L131 HydrophobicContact CB-CD1 4.17Å; M104-L131 HydrophobicContact CB-CD2 3.95Å; M104-L131 HydrophobicContact CG-CD2 3.92Å; A127-L131 WeakPolarHBondContact O-CB 3.44Å; A127-L131 PolarHBondContact O-N 2.73Å; L131-S133 VanDerWaalsContact C-N 3.31Å; L131-S133 PolarHBondContact O-N 3.41Å; L131-A134 PolarHBondContact O-N 3Å; L131-V135 HydrophobicContact CD1-CG2 3.99Å; L131-V135 HydrophobicContact CG-CG2 4.29Å; L131-V135 WeakPolarHBondContact O-CB 3.42Å; L131-V135 VanDerWaalsContact O-CG2 3.26Å; L131-V135 WeakPolarHBondContact O-CG2 3.46Å; L131-V135 PolarHBondContact O-N 2.91Å
132L87.1Confident86.5Confident31 Ų3132.5 Ų32.516%0.16217%0.171CC..Hα-helixtrans-58.4-43.5175.6179.161.8000111.6L29 L32 V33 V36 A128 R129 V135 T136L29-L132 HydrophobicContact CD2-CD1 4.03Å; L32-L132 HydrophobicContact CB-CD1 3.82Å; V33-L132 HydrophobicContact CG2-CD1 4.25Å; V33-L132 HydrophobicContact CG2-CD2 4.08Å; V36-L132 HydrophobicContact CB-CD2 4.26Å; V36-L132 HydrophobicContact CG1-CD2 4.35Å; V36-L132 HydrophobicContact CG2-CD2 4.23Å; A128-L132 WeakPolarHBondContact O-CB 3.48Å; A128-L132 PolarHBondContact O-N 3.2Å; R129-L132 PolarHBondContact O-N 3.43Å; L132-V135 PolarHBondContact O-N 3.3Å; L132-T136 WeakPolarHBondContact O-CB 3.4Å; L132-T136 PolarHBondContact O-N 3.41Å; L132-T136 PolarHBondContact O-OG1 3.01Å
133S88.5Confident86.8Confident59 Ų5931.8 Ų31.841%0.41316%0.161SC..Hα-helixtrans-62.4-44.2176.8-167.80000112.3R129 A130 L131 T136 H137R129-S133 PolarHBondContact O-N 3.49Å; A130-S133 PolarHBondContact O-N 3.05Å; L131-S133 VanDerWaalsContact C-N 3.31Å; L131-S133 PolarHBondContact O-N 3.41Å; S133-T136 PolarHBondContact O-N 2.82Å; S133-H137 WeakPolarHBondContact O-CB 3.04Å; S133-H137 PolarHBondContact O-N 3.24Å
134A88.8Confident86.7Confident12 Ų1229.3 Ų29.310%0.09915%0.147CC..Hα-helixtrans-66.2-42.2178.800000111.9V97 Q100 A130 L131 H137 L138V97-A134 HydrophobicContact CG2-CB 3.8Å; V97-A134 WeakPolarHBondContact CG2-O 3.4Å; Q100-A134 HydrophobicContact CB-CB 4.43Å; Q100-A134 HydrophobicContact CG-CB 4.03Å; A130-A134 PolarHBondContact O-N 3.06Å; L131-A134 PolarHBondContact O-N 3Å; A134-H137 PolarHBondContact O-N 3.22Å; A134-L138 PolarHBondContact O-N 3Å
135V89.1Confident86.7Confident13 Ų1328.9 Ų28.98%0.07915%0.145CC..Hα-helixtrans-63-45.1175.8168.40000111L29 L32 F72 V97 L131 L132 H137 L138 L139L29-V135 HydrophobicContact CD2-CG1 4.12Å; L32-V135 HydrophobicContact CD1-CG1 4.29Å; F72-V135 HydrophobicContact CD1-CG2 4.27Å; F72-V135 HydrophobicContact CE1-CB 4.25Å; F72-V135 HydrophobicContact CE1-CG1 3.99Å; F72-V135 HydrophobicContact CE1-CG2 3.83Å; F72-V135 HydrophobicContact CE2-CG1 4.34Å; F72-V135 HydrophobicContact CZ-CB 4.43Å; F72-V135 HydrophobicContact CZ-CG1 3.74Å; F72-V135 HydrophobicContact CZ-CG2 4.43Å; V97-V135 HydrophobicContact CG1-CG2 4.22Å; V97-V135 HydrophobicContact CG2-CG2 4.39Å; L131-V135 HydrophobicContact CD1-CG2 3.99Å; L131-V135 HydrophobicContact CG-CG2 4.29Å; L131-V135 WeakPolarHBondContact O-CB 3.42Å; L131-V135 VanDerWaalsContact O-CG2 3.26Å; L131-V135 WeakPolarHBondContact O-CG2 3.46Å; L131-V135 PolarHBondContact O-N 2.91Å; L132-V135 PolarHBondContact O-N 3.3Å; V135-H137 VanDerWaalsContact C-N 3.33Å; V135-H137 PolarHBondContact O-N 3.11Å; V135-L138 PolarHBondContact O-N 3.3Å; V135-L139 HydrophobicContact CG1-CD1 4.11Å; V135-L139 WeakPolarHBondContact O-CG 3.43Å; V135-L139 PolarHBondContact O-N 2.84Å
136T86.9Confident86.8Confident15 Ų1530.3 Ų30.39%0.09215%0.153CC..Hα-helixtrans-59.7-44.4175.1-610000111.2L18 I20 L29 L132 S133 L139 V140L18-T136 HydrophobicContact CD2-CG2 4.39Å; I20-T136 HydrophobicContact CG1-CG2 4.33Å; L29-T136 HydrophobicContact CD1-CG2 3.8Å; L29-T136 WeakPolarHBondContact CD1-OG1 3.44Å; L29-T136 WeakPolarHBondContact CD2-OG1 3.29Å; L132-T136 WeakPolarHBondContact O-CB 3.4Å; L132-T136 PolarHBondContact O-N 3.41Å; L132-T136 PolarHBondContact O-OG1 3.01Å; S133-T136 PolarHBondContact O-N 2.82Å; T136-L139 PolarHBondContact O-N 3.47Å; T136-V140 HydrophobicContact CG2-CG2 4.38Å; T136-V140 WeakPolarHBondContact O-CG2 3.42Å; T136-V140 PolarHBondContact O-N 3.5Å
137H88.4Confident86.9Confident54 Ų5422.5 Ų22.525%0.2512%0.123CC..Hα-helixtrans-62.5-44.9179.2-170.6-159.6000112.1P15 L18 S133 A134 V135 L139 V140 L141P15-H137 PolarHBondContact O-NE2 3.13Å; L18-H137 HydrophobicContact CD2-CB 3.72Å; S133-H137 WeakPolarHBondContact O-CB 3.04Å; S133-H137 PolarHBondContact O-N 3.24Å; A134-H137 PolarHBondContact O-N 3.22Å; V135-H137 VanDerWaalsContact C-N 3.33Å; V135-H137 PolarHBondContact O-N 3.11Å; H137-L139 PolarHBondContact O-N 2.64Å; H137-V140 PolarHBondContact O-N 3.13Å; H137-L141 WeakPolarHBondContact O-CG 3.5Å; H137-L141 PolarHBondContact O-N 2.66Å
138L88.5Confident86.9Confident5 Ų523.5 Ų23.53%0.02613%0.126CC..Hα-helixtrans-60.8-43.7176.1178.157.3000112.1F72 L90 A93 V94 V97 A134 V135 L141 A142F72-L138 HydrophobicContact CD1-CD2 4.46Å; F72-L138 HydrophobicContact CE1-CD2 3.62Å; F72-L138 HydrophobicContact CE1-CG 4.49Å; F72-L138 HydrophobicContact CZ-CD2 3.97Å; F72-L138 HydrophobicContact CZ-CG 4.47Å; L90-L138 HydrophobicContact CD2-CD1 3.77Å; A93-L138 HydrophobicContact CB-CB 4.23Å; A93-L138 HydrophobicContact CB-CD1 3.99Å; V94-L138 HydrophobicContact CG2-CD1 3.79Å; V94-L138 HydrophobicContact CG2-CD2 3.84Å; V97-L138 HydrophobicContact CG2-CB 4.14Å; V97-L138 HydrophobicContact CG2-CD2 4.08Å; A134-L138 PolarHBondContact O-N 3Å; V135-L138 PolarHBondContact O-N 3.3Å; L138-L141 PolarHBondContact O-N 3.22Å; L138-A142 WeakPolarHBondContact O-CB 3.38Å; L138-A142 PolarHBondContact O-N 2.92Å
139L87.4Confident87Confident10 Ų1027.1 Ų27.15%0.05214%0.141CC..Hα-helixtrans-65.9-38.7178.9-72.5176.4000112.6V25 L28 L29 F72 V135 T136 H137 A142 D143 M971V25-L139 HydrophobicContact CG1-CB 3.9Å; V25-L139 HydrophobicContact CG1-CD1 4.33Å; V25-L139 HydrophobicContact CG2-CB 4.14Å; L28-L139 HydrophobicContact CB-CD1 4.27Å; L28-L139 HydrophobicContact CD1-CD1 4.49Å; L28-L139 HydrophobicContact CD1-CD2 4.23Å; L29-L139 HydrophobicContact CD2-CD1 3.94Å; L29-L139 HydrophobicContact CG-CD1 4.05Å; F72-L139 HydrophobicContact CE2-CD2 4.03Å; F72-L139 HydrophobicContact CE2-CG 4.39Å; F72-L139 HydrophobicContact CZ-CD2 4.13Å; F72-L139 HydrophobicContact CZ-CG 4.12Å; V135-L139 HydrophobicContact CG1-CD1 4.11Å; V135-L139 WeakPolarHBondContact O-CG 3.43Å; V135-L139 PolarHBondContact O-N 2.84Å; T136-L139 PolarHBondContact O-N 3.47Å; H137-L139 PolarHBondContact O-N 2.64Å; L139-A142 PolarHBondContact O-N 3.44Å; L139-D143 PolarHBondContact O-N 3.02Å; L139-M971 HydrophobicContact CD2-CE 4.24Å
140V85.4Confident87.3Confident4 Ų420.9 Ų20.92%0.02412%0.117CC..Hα-helixtrans-66.6-40.7175.4169.70000111.1T136 H137 D143 M144T136-V140 HydrophobicContact CG2-CG2 4.38Å; T136-V140 WeakPolarHBondContact O-CG2 3.42Å; T136-V140 PolarHBondContact O-N 3.5Å; H137-V140 PolarHBondContact O-N 3.13Å; V140-D143 PolarHBondContact O-N 3.33Å; V140-M144 HydrophobicContact CG1-CE 3.56Å; V140-M144 HydrophobicContact CG1-SD 4.44Å; V140-M144 WeakPolarHBondContact O-CG 3.49Å; V140-M144 PolarHBondContact O-N 3.11Å
141L85.1Confident87.4Confident1 Ų119.8 Ų19.81%0.00511%0.107CC..Hα-helixtrans-66.6-35.4174.8-74.8172.4000112.6P15 E89 L90 A93 H137 L138 M144 S145P15-L141 HydrophobicContact CB-CD2 4.06Å; E89-L141 HydrophobicContact CB-CD1 4.33Å; E89-L141 HydrophobicContact CB-CD2 4.42Å; L90-L141 HydrophobicContact CD2-CB 3.65Å; L90-L141 HydrophobicContact CG-CB 4.3Å; A93-L141 HydrophobicContact CB-CD1 3.7Å; H137-L141 WeakPolarHBondContact O-CG 3.5Å; H137-L141 PolarHBondContact O-N 2.66Å; L138-L141 PolarHBondContact O-N 3.22Å; L141-M144 HydrophobicContact CD2-SD 3.97Å; L141-M144 WeakPolarHBondContact O-CB 3.24Å; L141-M144 PolarHBondContact O-N 3.23Å; L141-S145 PolarHBondContact O-N 3.27Å
142A85.1Confident87.5Confident11 Ų1120.6 Ų20.69%0.09111%0.113CC..Hα-helixtrans-64-45.8174.500000110.9I79 L90 L138 L139 M144 S145 D146I79-A142 HydrophobicContact CG2-CB 4.22Å; L90-A142 HydrophobicContact CD2-CB 4.46Å; L138-A142 WeakPolarHBondContact O-CB 3.38Å; L138-A142 PolarHBondContact O-N 2.92Å; L139-A142 PolarHBondContact O-N 3.44Å; A142-M144 PolarHBondContact O-N 3.46Å; A142-S145 WeakPolarHBondContact O-CB 3.44Å; A142-S145 PolarHBondContact O-N 3.06Å; A142-S145 VanDerWaalsContact O-N 3.1Å; A142-D146 PolarHBondContact O-N 2.89Å; A142-D146 VanDerWaalsContact O-N 3.14Å
143D85.8Confident87.9Confident11 Ų1119.6 Ų19.66%0.05911%0.107CC..Hα-helixtrans-59.5-44174.5-174.539.1000112W13 T22 L139 V140 S145 D146 V147 R194W13-D143 VanDerWaalsContact CH2-OD2 3.26Å; W13-D143 WeakPolarHBondContact CH2-OD2 3.39Å; W13-D143 WeakPolarHBondContact CZ3-OD2 3.48Å; T22-D143 VanDerWaalsContact CG2-OD1 3.29Å; T22-D143 WeakPolarHBondContact CG2-OD1 3.48Å; T22-D143 WeakPolarHBondContact CG2-OD2 3.35Å; L139-D143 PolarHBondContact O-N 3.02Å; V140-D143 PolarHBondContact O-N 3.33Å; D143-S145 VanDerWaalsContact C-N 3.27Å; D143-S145 PolarHBondContact O-N 3.32Å; D143-D146 PolarHBondContact O-N 2.96Å; D143-D146 VanDerWaalsContact O-N 3.11Å; D143-V147 WeakPolarHBondContact O-CG2 3.46Å; D143-V147 PolarHBondContact O-N 2.64Å; D143-R194 IonicContact OD1-CZ 2.78Å; D143-R194 IonicContact OD1-NH1 2.71Å; D143-R194 PolarHBondContact OD1-NH1 2.79Å; D143-R194 IonicContact OD2-NH1 2.92Å; D143-R194 IonicContact OD2-NH2 2.7Å
144M84.9Confident88.2Confident1 Ų117.2 Ų17.21%0.0059%0.09CC..Hα-helixtrans-56-42.4172.7-77.2174.7-171.800112.3F11 W13 D14 P15 L86 V140 L141 A142 D146 V147 Y148F11-M144 HydrophobicContact CE1-CG 4.43Å; F11-M144 HydrophobicContact CZ-CB 3.96Å; F11-M144 HydrophobicContact CZ-CG 4.01Å; W13-M144 HydrophobicContact CB-CE 4.1Å; W13-M144 HydrophobicContact CB-CG 4.39Å; W13-M144 HydrophobicContact CD2-CG 4.14Å; W13-M144 HydrophobicContact CE3-CB 4.28Å; W13-M144 HydrophobicContact CE3-CE 3.84Å; W13-M144 HydrophobicContact CE3-CG 3.19Å; W13-M144 HydrophobicContact CE3-SD 4.31Å; W13-M144 HydrophobicContact CZ3-CG 3.69Å; D14-M144 WeakPolarHBondContact O-CE 3.3Å; P15-M144 HydrophobicContact CB-SD 4.42Å; L86-M144 HydrophobicContact CD1-CB 3.67Å; V140-M144 HydrophobicContact CG1-CE 3.56Å; V140-M144 HydrophobicContact CG1-SD 4.44Å; V140-M144 WeakPolarHBondContact O-CG 3.49Å; V140-M144 PolarHBondContact O-N 3.11Å; L141-M144 HydrophobicContact CD2-SD 3.97Å; L141-M144 WeakPolarHBondContact O-CB 3.24Å; L141-M144 PolarHBondContact O-N 3.23Å; A142-M144 PolarHBondContact O-N 3.46Å; M144-D146 VanDerWaalsContact C-N 3.29Å; M144-D146 PolarHBondContact O-N 3.44Å; M144-V147 PolarHBondContact O-N 2.91Å; M144-Y148 WeakPolarHBondContact O-CB 3.25Å; M144-Y148 PolarHBondContact O-N 3.39Å
145S84.8Confident88.4Confident3 Ų319.7 Ų19.72%0.02110%0.098CC..Hα-helixtrans-63.2-36.5178.4-171.60000111.7S83 L141 A142 D143 Y148 K149S83-S145 PolarHBondContact OG-OG 3.42Å; S83-S145 VanDerWaalsContact OG-OG 3.07Å; L141-S145 PolarHBondContact O-N 3.27Å; A142-S145 WeakPolarHBondContact O-CB 3.44Å; A142-S145 PolarHBondContact O-N 3.06Å; A142-S145 VanDerWaalsContact O-N 3.1Å; D143-S145 VanDerWaalsContact C-N 3.27Å; D143-S145 PolarHBondContact O-N 3.32Å; S145-Y148 PolarHBondContact O-N 3.45Å; S145-K149 VanDerWaalsContact O-CG 3.32Å; S145-K149 WeakPolarHBondContact O-CG 3.33Å; S145-K149 PolarHBondContact O-N 3.33Å
146D85.3Confident88.6Confident40 Ų4021.3 Ų21.321%0.21411%0.106CC..Hα-helixtrans-75-38.8179.1-71.1-24.9000112.4A142 D143 M144 Y148 K149 L150A142-D146 PolarHBondContact O-N 2.89Å; A142-D146 VanDerWaalsContact O-N 3.14Å; D143-D146 PolarHBondContact O-N 2.96Å; D143-D146 VanDerWaalsContact O-N 3.11Å; M144-D146 VanDerWaalsContact C-N 3.29Å; M144-D146 PolarHBondContact O-N 3.44Å; D146-Y148 VanDerWaalsContact C-N 3.29Å; D146-Y148 PolarHBondContact O-N 2.87Å; D146-K149 PolarHBondContact O-N 3.48Å; D146-K149 IonicContact OD1-NZ 2.85Å; D146-K149 PolarHBondContact OD1-NZ 2.99Å; D146-L150 PolarHBondContact O-N 3.22Å
147V88.4Confident89.1Confident1 Ų120.6 Ų20.61%0.00610%0.102CC..Hα-helixtrans-60.5-41.6170.31770000110.4F11 W13 D143 M144 L150 L151 R194 Q260F11-V147 HydrophobicContact CE2-CB 4.32Å; F11-V147 HydrophobicContact CE2-CG1 3.97Å; W13-V147 HydrophobicContact CH2-CG2 3.69Å; W13-V147 HydrophobicContact CZ2-CB 4.47Å; W13-V147 HydrophobicContact CZ2-CG1 4.39Å; W13-V147 HydrophobicContact CZ2-CG2 3.78Å; D143-V147 WeakPolarHBondContact O-CG2 3.46Å; D143-V147 PolarHBondContact O-N 2.64Å; M144-V147 PolarHBondContact O-N 2.91Å; V147-L150 WeakPolarHBondContact O-CB 3.32Å; V147-L150 PolarHBondContact O-N 3.31Å; V147-L151 HydrophobicContact CG1-CD1 4.32Å; V147-L151 HydrophobicContact CG1-CG 4.48Å; V147-L151 WeakPolarHBondContact O-CG 3.43Å; V147-L151 PolarHBondContact O-N 3.07Å; V147-R194 VanDerWaalsContact CG2-CZ 3.49Å; V147-Q260 HydrophobicContact CG1-CG 4.1Å
148Y86.6Confident89.4Confident27 Ų2720.5 Ų20.511%0.10610%0.101CC..Hα-helixtrans-63-45.1176.2-169.1-90000112.4I9 F11 F85 M144 S145 D146 L150 L151 V152I9-Y148 HydrophobicContact CB-CE2 4.1Å; I9-Y148 HydrophobicContact CD1-CE1 4.24Å; I9-Y148 HydrophobicContact CD1-CE2 4.09Å; I9-Y148 HydrophobicContact CG2-CD2 4.29Å; I9-Y148 HydrophobicContact CG2-CE2 3.89Å; F11-Y148 HydrophobicContact CD2-CD2 4.43Å; F85-Y148 HydrophobicContact CB-CD1 3.63Å; F85-Y148 HydrophobicContact CB-CE1 3.53Å; F85-Y148 HydrophobicContact CB-CG 4.26Å; F85-Y148 AromaticContact CD1-CD1 3.79Å; F85-Y148 HydrophobicContact CD1-CD1 3.79Å; F85-Y148 AromaticContact CD1-CD2 3.4Å; F85-Y148 HydrophobicContact CD1-CD2 3.4Å; F85-Y148 VanDerWaalsContact CD1-CD2 3.4Å; F85-Y148 AromaticContact CD1-CE1 3.86Å; F85-Y148 HydrophobicContact CD1-CE1 3.86Å; F85-Y148 AromaticContact CD1-CE2 3.47Å; F85-Y148 HydrophobicContact CD1-CE2 3.47Å; F85-Y148 VanDerWaalsContact CD1-CE2 3.47Å; F85-Y148 AromaticContact CD1-CG 3.56Å; F85-Y148 HydrophobicContact CD1-CG 3.56Å; F85-Y148 AromaticContact CD1-CZ 3.68Å; F85-Y148 HydrophobicContact CD2-CD1 4.38Å; F85-Y148 HydrophobicContact CD2-CD2 4.5Å; F85-Y148 AromaticContact CD2-CE1 3.63Å; F85-Y148 HydrophobicContact CD2-CE1 3.63Å; F85-Y148 AromaticContact CD2-CE2 3.77Å; F85-Y148 HydrophobicContact CD2-CE2 3.77Å; F85-Y148 AromaticContact CD2-CZ 3.25Å; F85-Y148 WeakPolarHBondContact CD2-OH 3.24Å; F85-Y148 AromaticContact CE1-CD2 3.44Å; F85-Y148 HydrophobicContact CE1-CD2 3.44Å; F85-Y148 VanDerWaalsContact CE1-CD2 3.44Å; F85-Y148 AromaticContact CE1-CE2 3.32Å; F85-Y148 HydrophobicContact CE1-CE2 3.32Å; F85-Y148 HydrophobicContact CE1-CG 4.09Å; F85-Y148 AromaticContact CE1-CZ 3.9Å; F85-Y148 HydrophobicContact CE2-CE1 4.3Å; F85-Y148 AromaticContact CE2-CE2 3.61Å; F85-Y148 HydrophobicContact CE2-CE2 3.61Å; F85-Y148 AromaticContact CE2-CZ 3.47Å; F85-Y148 VanDerWaalsContact CE2-CZ 3.47Å; F85-Y148 VanDerWaalsContact CE2-OH 3.23Å; F85-Y148 WeakPolarHBondContact CE2-OH 3.5Å; F85-Y148 AromaticContact CG-CD1 3.67Å; F85-Y148 HydrophobicContact CG-CD1 3.67Å; F85-Y148 AromaticContact CG-CD2 3.98Å; F85-Y148 HydrophobicContact CG-CD2 3.98Å; F85-Y148 AromaticContact CG-CE1 3.37Å; F85-Y148 HydrophobicContact CG-CE1 3.37Å; F85-Y148 AromaticContact CG-CE2 3.71Å; F85-Y148 HydrophobicContact CG-CE2 3.71Å; F85-Y148 AromaticContact CG-CG 3.95Å; F85-Y148 HydrophobicContact CG-CG 3.95Å; F85-Y148 AromaticContact CG-CZ 3.37Å; F85-Y148 HydrophobicContact CZ-CD2 4.02Å; F85-Y148 AromaticContact CZ-CE2 3.39Å; F85-Y148 HydrophobicContact CZ-CE2 3.39Å; F85-Y148 AromaticContact CZ-CZ 3.79Å; M144-Y148 WeakPolarHBondContact O-CB 3.25Å; M144-Y148 PolarHBondContact O-N 3.39Å; S145-Y148 PolarHBondContact O-N 3.45Å; D146-Y148 VanDerWaalsContact C-N 3.29Å; D146-Y148 PolarHBondContact O-N 2.87Å; Y148-L150 PolarHBondContact O-N 3.44Å; Y148-L151 PolarHBondContact O-N 3.07Å; Y148-L151 VanDerWaalsContact O-N 3.09Å; Y148-V152 HydrophobicContact CD1-CG2 3.76Å; Y148-V152 HydrophobicContact CE1-CG2 3.43Å; Y148-V152 VanDerWaalsContact CE1-CG2 3.43Å; Y148-V152 WeakPolarHBondContact O-CG2 3.35Å; Y148-V152 PolarHBondContact O-N 3.45Å
149K88.3Confident89.7Confident84 Ų8423.3 Ų23.337%0.36512%0.117SC..Hα-helixtrans-55.4-42.3173.8-71.4169.9-165.4160.10111.1S145 D146 V152 Q153 M190S145-K149 VanDerWaalsContact O-CG 3.32Å; S145-K149 WeakPolarHBondContact O-CG 3.33Å; S145-K149 PolarHBondContact O-N 3.33Å; D146-K149 PolarHBondContact O-N 3.48Å; D146-K149 IonicContact OD1-NZ 2.85Å; D146-K149 PolarHBondContact OD1-NZ 2.99Å; K149-V152 PolarHBondContact O-N 3.02Å; K149-Q153 PolarHBondContact O-N 3.49Å; K149-Q153 VanDerWaalsContact O-N 3.07Å; K149-M190 HydrophobicContact CB-CE 3.78Å
150L91.8Very high90.1Very high4 Ų423.5 Ų23.52%0.02112%0.118CC..Hα-helixtrans-61.5-44.8175.9173.163.1000111.6D146 V147 Y148 Q153 L154 L187 M190 A191 R194 A259D146-L150 PolarHBondContact O-N 3.22Å; V147-L150 WeakPolarHBondContact O-CB 3.32Å; V147-L150 PolarHBondContact O-N 3.31Å; Y148-L150 PolarHBondContact O-N 3.44Å; L150-Q153 PolarHBondContact O-N 2.97Å; L150-L154 VanDerWaalsContact O-CB 3.29Å; L150-L154 WeakPolarHBondContact O-CB 3.39Å; L150-L154 PolarHBondContact O-N 3.35Å; L150-L187 HydrophobicContact CD1-CD1 3.56Å; L150-M190 HydrophobicContact CB-CE 4.18Å; L150-M190 HydrophobicContact CD1-CB 3.7Å; L150-A191 HydrophobicContact CD1-CB 4.27Å; L150-R194 HydrophobicContact CD2-CB 4.06Å; L150-R194 HydrophobicContact CD2-CG 4.18Å; L150-A259 HydrophobicContact CD2-CB 3.61Å
151L91.4Very high90.6Very high9 Ų923.4 Ų23.45%0.04712%0.117CC..Hα-helixtrans-67.1-34.9178.7-64.7176.2000113.2I9 F11 V147 Y148 L154 K155 S256 Q260I9-L151 HydrophobicContact CG2-CB 3.95Å; I9-L151 HydrophobicContact CG2-CD1 4.01Å; F11-L151 HydrophobicContact CD2-CD1 3.81Å; F11-L151 HydrophobicContact CE2-CD1 4.48Å; V147-L151 HydrophobicContact CG1-CD1 4.32Å; V147-L151 HydrophobicContact CG1-CG 4.48Å; V147-L151 WeakPolarHBondContact O-CG 3.43Å; V147-L151 PolarHBondContact O-N 3.07Å; Y148-L151 PolarHBondContact O-N 3.07Å; Y148-L151 VanDerWaalsContact O-N 3.09Å; L151-L154 HydrophobicContact CD2-CD2 4.21Å; L151-L154 WeakPolarHBondContact O-CB 3.3Å; L151-L154 PolarHBondContact O-N 3.28Å; L151-K155 PolarHBondContact O-N 3.29Å; L151-S256 WeakPolarHBondContact CD2-OG 3.5Å; L151-Q260 HydrophobicContact CD1-CG 4.04Å; L151-Q260 HydrophobicContact CD2-CG 4.3Å
152V90.6Very high91.1Very high38 Ų3826.5 Ų26.523%0.2313%0.133CC..Hα-helixtrans-62.5-48.7172.3172.90000110.3I9 Y148 K149 L154 K155 L156I9-V152 HydrophobicContact CD1-CB 4.25Å; I9-V152 HydrophobicContact CD1-CG2 3.4Å; Y148-V152 HydrophobicContact CD1-CG2 3.76Å; Y148-V152 HydrophobicContact CE1-CG2 3.43Å; Y148-V152 VanDerWaalsContact CE1-CG2 3.43Å; Y148-V152 WeakPolarHBondContact O-CG2 3.35Å; Y148-V152 PolarHBondContact O-N 3.45Å; K149-V152 PolarHBondContact O-N 3.02Å; V152-L154 VanDerWaalsContact C-N 3.26Å; V152-L154 PolarHBondContact O-N 3.44Å; V152-K155 PolarHBondContact O-N 2.86Å; V152-L156 PolarHBondContact O-N 2.98Å
153Q94.1Very high91.6Very high9 Ų930.7 Ų30.74%0.04215%0.149CC..Hα-helixtrans-61.3-39.4177.6-173.763.440.800111.3K149 L150 L156 V157 E183 K186 L187 M190K149-Q153 PolarHBondContact O-N 3.49Å; K149-Q153 VanDerWaalsContact O-N 3.07Å; L150-Q153 PolarHBondContact O-N 2.97Å; Q153-L156 PolarHBondContact O-N 3.43Å; Q153-V157 WeakPolarHBondContact O-CG2 3.38Å; Q153-V157 PolarHBondContact O-N 3.4Å; Q153-V157 VanDerWaalsContact O-N 3.07Å; Q153-E183 PolarHBondContact NE2-O 3.17Å; Q153-E183 PolarHBondContact NE2-OE2 3.33Å; Q153-K186 HydrophobicContact CG-CG 4.45Å; Q153-L187 HydrophobicContact CB-CD1 4.49Å; Q153-L187 HydrophobicContact CG-CB 3.91Å; Q153-L187 HydrophobicContact CG-CD1 4.29Å; Q153-M190 HydrophobicContact CB-SD 4Å; Q153-M190 HydrophobicContact CG-SD 4.02Å
154L94.7Very high92.1Very high9 Ų930.2 Ų30.25%0.04715%0.147CC..Hα-helixtrans-60.8-44.8176.1-170.878.3000111.5L150 L151 V152 V157 E158 L187 V252 I255L150-L154 VanDerWaalsContact O-CB 3.29Å; L150-L154 WeakPolarHBondContact O-CB 3.39Å; L150-L154 PolarHBondContact O-N 3.35Å; L151-L154 HydrophobicContact CD2-CD2 4.21Å; L151-L154 WeakPolarHBondContact O-CB 3.3Å; L151-L154 PolarHBondContact O-N 3.28Å; V152-L154 VanDerWaalsContact C-N 3.26Å; V152-L154 PolarHBondContact O-N 3.44Å; L154-V157 PolarHBondContact O-N 3.24Å; L154-E158 PolarHBondContact O-N 3.01Å; L154-L187 HydrophobicContact CB-CD1 4.05Å; L154-L187 HydrophobicContact CD1-CD1 3.8Å; L154-L187 HydrophobicContact CD1-CD2 3.67Å; L154-L187 HydrophobicContact CD1-CG 4.32Å; L154-V252 HydrophobicContact CD1-CB 4.4Å; L154-V252 HydrophobicContact CD1-CG1 3.91Å; L154-V252 HydrophobicContact CD1-CG2 4.47Å; L154-V252 HydrophobicContact CD2-CG1 4.1Å; L154-V252 WeakPolarHBondContact CD2-O 3.47Å; L154-V252 HydrophobicContact CG-CG1 3.78Å; L154-I255 HydrophobicContact CD1-CB 3.95Å; L154-I255 HydrophobicContact CD1-CD1 4.42Å; L154-I255 HydrophobicContact CD1-CG2 3.74Å
155K92.6Very high92.6Very high65 Ų6533.3 Ų33.328%0.28316%0.159SC..Hα-helixtrans-64.9-40.1178.4-174.860-169.9160.50112.3L151 V152 V157 E158 D159L151-K155 PolarHBondContact O-N 3.29Å; V152-K155 PolarHBondContact O-N 2.86Å; K155-V157 VanDerWaalsContact C-N 3.33Å; K155-V157 PolarHBondContact O-N 3.18Å; K155-E158 VanDerWaalsContact CD-OE2 3.28Å; K155-E158 WeakPolarHBondContact CD-OE2 3.49Å; K155-E158 IonicContact NZ-OE2 3.35Å; K155-E158 PolarHBondContact NZ-OE2 3.13Å; K155-E158 WeakPolarHBondContact O-CB 3.5Å; K155-E158 PolarHBondContact O-N 3.44Å; K155-D159 VanDerWaalsContact CE-OD1 3.23Å; K155-D159 WeakPolarHBondContact CE-OD1 3.44Å; K155-D159 IonicContact NZ-OD1 3.25Å; K155-D159 PolarHBondContact NZ-OD1 2.92Å; K155-D159 VanDerWaalsContact NZ-OD1 3.1Å; K155-D159 PolarHBondContact O-N 3.44Å
156L94.3Very high93.1Very high47 Ų4737.6 Ų37.625%0.24618%0.181CC..Hα-helixtrans-59.5-43.8174.2176.561000112V152 Q153 N160 E183V152-L156 PolarHBondContact O-N 2.98Å; Q153-L156 PolarHBondContact O-N 3.43Å; L156-N160 WeakPolarHBondContact O-CB 3.48Å; L156-N160 VanDerWaalsContact O-CG 3.26Å; L156-N160 PolarHBondContact O-N 3.08Å; L156-N160 PolarHBondContact O-ND2 2.92Å; L156-E183 HydrophobicContact CD2-CG 4.07Å; L156-E183 VanDerWaalsContact CD2-OE2 3.29Å; L156-E183 WeakPolarHBondContact CD2-OE2 3.16Å; L156-E183 HydrophobicContact CG-CG 4.47Å
157V96.6Very high93.6Very high0 Ų035.9 Ų35.90%017%0.173CC..Hα-helixtrans-64.2-43.5175.6169.10000110.9Q153 L154 K155 D159 N160 L161 L180 E183 V184 L187 L214Q153-V157 WeakPolarHBondContact O-CG2 3.38Å; Q153-V157 PolarHBondContact O-N 3.4Å; Q153-V157 VanDerWaalsContact O-N 3.07Å; L154-V157 PolarHBondContact O-N 3.24Å; K155-V157 VanDerWaalsContact C-N 3.33Å; K155-V157 PolarHBondContact O-N 3.18Å; V157-D159 PolarHBondContact O-N 3.25Å; V157-N160 PolarHBondContact O-N 2.69Å; V157-L161 HydrophobicContact CG1-CD1 3.95Å; V157-L161 HydrophobicContact CG1-CG 4.25Å; V157-L161 WeakPolarHBondContact O-CB 3.47Å; V157-L161 VanDerWaalsContact O-CG 3.24Å; V157-L161 WeakPolarHBondContact O-CG 3.37Å; V157-L161 PolarHBondContact O-N 3.03Å; V157-L180 HydrophobicContact CG1-CD1 4.27Å; V157-E183 HydrophobicContact CG2-CB 4.01Å; V157-E183 WeakPolarHBondContact CG2-O 3.39Å; V157-V184 HydrophobicContact CG1-CG2 3.87Å; V157-V184 HydrophobicContact CG2-CG2 4.28Å; V157-L187 HydrophobicContact CB-CD2 3.89Å; V157-L187 HydrophobicContact CG1-CD2 3.95Å; V157-L187 HydrophobicContact CG2-CB 4.06Å; V157-L187 HydrophobicContact CG2-CD2 3.79Å; V157-L214 HydrophobicContact CG1-CD1 4.39Å
158E95.1Very high93.8Very high51 Ų5138.3 Ų38.324%0.23820%0.198CC..Hα-helixtrans-57-48.6176.6-167.2-174.2-162.900112.3L154 K155 N160 L161 L162 V252L154-E158 PolarHBondContact O-N 3.01Å; K155-E158 VanDerWaalsContact CD-OE2 3.28Å; K155-E158 WeakPolarHBondContact CD-OE2 3.49Å; K155-E158 IonicContact NZ-OE2 3.35Å; K155-E158 PolarHBondContact NZ-OE2 3.13Å; K155-E158 WeakPolarHBondContact O-CB 3.5Å; K155-E158 PolarHBondContact O-N 3.44Å; E158-N160 VanDerWaalsContact C-N 3.34Å; E158-N160 PolarHBondContact O-N 3.09Å; E158-L161 WeakPolarHBondContact O-CB 3.35Å; E158-L161 PolarHBondContact O-N 2.96Å; E158-L162 PolarHBondContact O-N 3.02Å; E158-V252 HydrophobicContact CB-CG1 4.21Å; E158-V252 HydrophobicContact CG-CG1 4.32Å
159D94.8Very high94.2Very high65 Ų6540.6 Ų40.635%0.34821%0.214SC..Hα-helixtrans-67.3-36.8-179.3-66.1-20.3000111.5K155 V157 L162 K163K155-D159 VanDerWaalsContact CE-OD1 3.23Å; K155-D159 WeakPolarHBondContact CE-OD1 3.44Å; K155-D159 IonicContact NZ-OD1 3.25Å; K155-D159 PolarHBondContact NZ-OD1 2.92Å; K155-D159 VanDerWaalsContact NZ-OD1 3.1Å; K155-D159 PolarHBondContact O-N 3.44Å; V157-D159 PolarHBondContact O-N 3.25Å; D159-L162 PolarHBondContact O-N 2.97Å; D159-K163 WeakPolarHBondContact O-CG 3.29Å; D159-K163 PolarHBondContact O-N 3.02Å
160N95.4Very high94.4Very high14 Ų1441.1 Ų41.18%0.07522%0.218CC..Hα-helixtrans-72.4-33.5177-72.7-16000112.6L156 V157 E158 L162 K163 V164 L180L156-N160 WeakPolarHBondContact O-CB 3.48Å; L156-N160 VanDerWaalsContact O-CG 3.26Å; L156-N160 PolarHBondContact O-N 3.08Å; L156-N160 PolarHBondContact O-ND2 2.92Å; V157-N160 PolarHBondContact O-N 2.69Å; E158-N160 VanDerWaalsContact C-N 3.34Å; E158-N160 PolarHBondContact O-N 3.09Å; N160-L162 VanDerWaalsContact C-N 3.29Å; N160-L162 PolarHBondContact O-N 2.92Å; N160-K163 WeakPolarHBondContact O-CB 3.42Å; N160-K163 PolarHBondContact O-N 3.13Å; N160-K163 PolarHBondContact OD1-NZ 2.95Å; N160-V164 PolarHBondContact O-N 3.2Å; N160-L180 HydrophobicContact CB-CB 4.43Å; N160-L180 HydrophobicContact CB-CD1 3.61Å
161L96.6Very high94.5Very high2 Ų248.3 Ų48.31%0.0125%0.252CS..Hα-helixtrans-59.3-41.8170.8-78169.8000111.4V157 E158 K163 V164 R165 L180 L214 V218 L221 Y245 L248 V252V157-L161 HydrophobicContact CG1-CD1 3.95Å; V157-L161 HydrophobicContact CG1-CG 4.25Å; V157-L161 WeakPolarHBondContact O-CB 3.47Å; V157-L161 VanDerWaalsContact O-CG 3.24Å; V157-L161 WeakPolarHBondContact O-CG 3.37Å; V157-L161 PolarHBondContact O-N 3.03Å; E158-L161 WeakPolarHBondContact O-CB 3.35Å; E158-L161 PolarHBondContact O-N 2.96Å; L161-K163 VanDerWaalsContact C-N 3.34Å; L161-K163 PolarHBondContact O-N 3.31Å; L161-V164 PolarHBondContact O-N 3.08Å; L161-R165 PolarHBondContact O-N 3.43Å; L161-L180 HydrophobicContact CD2-CD2 3.8Å; L161-L180 HydrophobicContact CG-CD1 4.32Å; L161-L180 HydrophobicContact CG-CD2 4.39Å; L161-L214 HydrophobicContact CD1-CD1 4.3Å; L161-V218 HydrophobicContact CD2-CG2 4.01Å; L161-L221 HydrophobicContact CD2-CD2 3.92Å; L161-Y245 HydrophobicContact CB-CE2 4.11Å; L161-L248 HydrophobicContact CD1-CB 4.17Å; L161-L248 HydrophobicContact CD2-CD1 3.94Å; L161-L248 HydrophobicContact CD2-CD2 4.44Å; L161-V252 HydrophobicContact CD1-CG2 4.07Å
162L95.6Very high94.7Very high65 Ų6551.7 Ų51.734%0.3427%0.267SS..Hα-helixtrans-64.2-38.4175.8-17860.6000111.8E158 D159 N160 R165 N166 Y245E158-L162 PolarHBondContact O-N 3.02Å; D159-L162 PolarHBondContact O-N 2.97Å; N160-L162 VanDerWaalsContact C-N 3.29Å; N160-L162 PolarHBondContact O-N 2.92Å; L162-R165 PolarHBondContact O-N 3.29Å; L162-N166 VanDerWaalsContact CD1-ND2 3.35Å; L162-N166 WeakPolarHBondContact CD1-ND2 3.25Å; L162-N166 WeakPolarHBondContact O-CB 3.42Å; L162-N166 VanDerWaalsContact O-CG 3.23Å; L162-N166 PolarHBondContact O-N 2.9Å; L162-N166 PolarHBondContact O-ND2 2.88Å; L162-Y245 HydrophobicContact CB-CE2 4.38Å; L162-Y245 WeakPolarHBondContact CD1-OH 3.33Å
163K95.8Very high95Very high100 Ų10049.9 Ų49.944%0.43526%0.256SS..Hα-helixtrans-64-42.7174.3-66.6173.2-166.2160.30112.3D159 N160 L161 R165 N166 A167 Q176D159-K163 WeakPolarHBondContact O-CG 3.29Å; D159-K163 PolarHBondContact O-N 3.02Å; N160-K163 WeakPolarHBondContact O-CB 3.42Å; N160-K163 PolarHBondContact O-N 3.13Å; N160-K163 PolarHBondContact OD1-NZ 2.95Å; L161-K163 VanDerWaalsContact C-N 3.34Å; L161-K163 PolarHBondContact O-N 3.31Å; K163-R165 VanDerWaalsContact C-N 3.35Å; K163-R165 PolarHBondContact O-N 3.45Å; K163-N166 PolarHBondContact O-N 3.11Å; K163-A167 PolarHBondContact O-N 3.32Å; K163-Q176 HydrophobicContact CB-CG 4.16Å
164V96.3Very high95Very high1 Ų150.7 Ų50.71%0.00627%0.267CS..Hα-helixtrans-59.7-46.1174.9169.40000110.6N160 L161 N166 L173 Q176 L180 L221N160-V164 PolarHBondContact O-N 3.2Å; L161-V164 PolarHBondContact O-N 3.08Å; V164-N166 VanDerWaalsContact C-N 3.33Å; V164-N166 PolarHBondContact O-N 2.96Å; V164-L173 HydrophobicContact CB-CD1 4.49Å; V164-L173 HydrophobicContact CG1-CD1 3.69Å; V164-L173 WeakPolarHBondContact O-CD1 3.46Å; V164-Q176 HydrophobicContact CG2-CB 3.78Å; V164-L180 HydrophobicContact CG2-CB 4.34Å; V164-L180 HydrophobicContact CG2-CD2 3.76Å; V164-L221 HydrophobicContact CB-CD2 4.38Å; V164-L221 HydrophobicContact CG1-CD2 3.92Å; V164-L221 HydrophobicContact CG1-CG 4.08Å
165R95.3Very high95.1Very high66 Ų6655 Ų5525%0.24929%0.289CS..Hα-helixtrans-60-42176.7174.6-176.7177.2-115.43.5112.8L161 L162 K163 R241 D242 Y245L161-R165 PolarHBondContact O-N 3.43Å; L162-R165 PolarHBondContact O-N 3.29Å; K163-R165 VanDerWaalsContact C-N 3.35Å; K163-R165 PolarHBondContact O-N 3.45Å; R165-R241 PolarHBondContact O-NH1 3.13Å; R165-D242 IonicContact CZ-OD1 2.82Å; R165-D242 VanDerWaalsContact CZ-OD1 3.31Å; R165-D242 IonicContact NE-OD1 2.66Å; R165-D242 PolarHBondContact NE-OD1 3.04Å; R165-D242 IonicContact NH2-OD1 2.64Å; R165-D242 PolarHBondContact NH2-OD1 3.26Å; R165-D242 IonicContact NH2-OD2 3.1Å; R165-Y245 HydrophobicContact CB-CD2 4.04Å; R165-Y245 HydrophobicContact CB-CE2 4.36Å; R165-Y245 HydrophobicContact CB-CG 4.47Å; R165-Y245 HydrophobicContact CG-CD2 4.49Å; R165-Y245 HydrophobicContact CG-CG 4.44Å
166N95.3Very high95.4Very high93 Ų9353.8 Ų53.850%0.49728%0.284SS..Hα-helixtrans-91.1-0.2-171.7-66.2-13.6000113.8L162 K163 V164 G168L162-N166 VanDerWaalsContact CD1-ND2 3.35Å; L162-N166 WeakPolarHBondContact CD1-ND2 3.25Å; L162-N166 WeakPolarHBondContact O-CB 3.42Å; L162-N166 VanDerWaalsContact O-CG 3.23Å; L162-N166 PolarHBondContact O-N 2.9Å; L162-N166 PolarHBondContact O-ND2 2.88Å; K163-N166 PolarHBondContact O-N 3.11Å; V164-N166 VanDerWaalsContact C-N 3.33Å; V164-N166 PolarHBondContact O-N 2.96Å; N166-G168 PolarHBondContact O-N 2.88Å
167A95.9Very high95.4Very high4 Ų453.8 Ų53.83%0.03328%0.282CS..  trans-54.4132.1177.800000110.4K163 E172 L173K163-A167 PolarHBondContact O-N 3.32Å; A167-E172 HydrophobicContact CB-CB 4.42Å; A167-E172 HydrophobicContact CB-CG 4.13Å; A167-L173 HydrophobicContact CB-CB 3.82Å; A167-L173 HydrophobicContact CB-CD1 4.15Å
168G93Very high95.4Very high52 Ų5262 Ų6254%0.53632%0.317SS..  trans-94.4-12-174.900000114.2N166 E172 L229N166-G168 PolarHBondContact O-N 2.88Å; G168-E172 PolarHBondContact N-OE2 2.89Å; G168-L229 WeakPolarHBondContact O-CD2 3.41Å
169T94.8Very high95.4Very high74 Ų7461.9 Ų61.945%0.45433%0.325SS..SBendtrans-141.1156.218065.70000110.9Q171 E172 L173T169-Q171 VanDerWaalsContact C-N 3.27Å; T169-Q171 PolarHBondContact O-N 2.95Å; T169-E172 PolarHBondContact O-N 3.17Å; T169-E172 VanDerWaalsContact OG1-CB 3.27Å; T169-E172 WeakPolarHBondContact OG1-CB 3.45Å; T169-E172 PolarHBondContact OG1-N 3.27Å; T169-E172 VanDerWaalsContact OG1-N 3.16Å; T169-L173 WeakPolarHBondContact O-CB 3.45Å; T169-L173 PolarHBondContact O-N 3.09Å
170E92.8Very high95.5Very high95 Ų9558.9 Ų58.944%0.44431%0.309SS..Hα-helixtrans-61.3-37.2177.3-68.5-177.9-173.900112.5L173 G174 L229 Q230E170-L173 PolarHBondContact O-N 2.85Å; E170-G174 PolarHBondContact O-N 3.32Å; E170-L229 HydrophobicContact CG-CB 4.48Å; E170-Q230 WeakPolarHBondContact OE1-CG 3.48Å; E170-Q230 PolarHBondContact OE1-NE2 3.35Å
171Q93.7Very high95.5Very high155 Ų15561.8 Ų61.872%0.72432%0.321SS*.Hα-helixtrans-63.2-46.9177.1-174-179.27.100110.9T169 G174 I175T169-Q171 VanDerWaalsContact C-N 3.27Å; T169-Q171 PolarHBondContact O-N 2.95Å; Q171-G174 PolarHBondContact O-N 3.18Å; Q171-I175 HydrophobicContact CG-CD1 4.19Å; Q171-I175 WeakPolarHBondContact O-CD1 3.45Å; Q171-I175 VanDerWaalsContact O-CG1 3.27Å; Q171-I175 WeakPolarHBondContact O-CG1 3.42Å; Q171-I175 PolarHBondContact O-N 3.19Å
172E96.3Very high95.5Very high80 Ų8065 Ų6537%0.37434%0.342SS..Hα-helixtrans-61.6-45.1175.3-177.1179.3-158.800111A167 G168 T169 G174 I175 Q176A167-E172 HydrophobicContact CB-CB 4.42Å; A167-E172 HydrophobicContact CB-CG 4.13Å; G168-E172 PolarHBondContact N-OE2 2.89Å; T169-E172 PolarHBondContact O-N 3.17Å; T169-E172 VanDerWaalsContact OG1-CB 3.27Å; T169-E172 WeakPolarHBondContact OG1-CB 3.45Å; T169-E172 PolarHBondContact OG1-N 3.27Å; T169-E172 VanDerWaalsContact OG1-N 3.16Å; E172-G174 VanDerWaalsContact C-N 3.34Å; E172-G174 PolarHBondContact O-N 3.25Å; E172-I175 WeakPolarHBondContact O-CB 3.46Å; E172-I175 PolarHBondContact O-N 3.12Å; E172-I175 VanDerWaalsContact O-N 3.14Å; E172-Q176 HydrophobicContact CG-CG 4.26Å; E172-Q176 WeakPolarHBondContact O-CG 3.37Å; E172-Q176 PolarHBondContact O-N 3.43Å
173L96.1Very high95.6Very high0 Ų064.3 Ų64.30%034%0.337CS..Hα-helixtrans-57.9-46178.2177.759.5000111.7V164 A167 T169 E170 I175 Q176 Y177 Y222 C226 L229V164-L173 HydrophobicContact CB-CD1 4.49Å; V164-L173 HydrophobicContact CG1-CD1 3.69Å; V164-L173 WeakPolarHBondContact O-CD1 3.46Å; A167-L173 HydrophobicContact CB-CB 3.82Å; A167-L173 HydrophobicContact CB-CD1 4.15Å; T169-L173 WeakPolarHBondContact O-CB 3.45Å; T169-L173 PolarHBondContact O-N 3.09Å; E170-L173 PolarHBondContact O-N 2.85Å; L173-I175 VanDerWaalsContact C-N 3.34Å; L173-I175 PolarHBondContact O-N 3.07Å; L173-Q176 PolarHBondContact O-N 3.18Å; L173-Y177 WeakPolarHBondContact O-CB 3.33Å; L173-Y177 PolarHBondContact O-N 2.99Å; L173-Y222 HydrophobicContact CD1-CD2 4.07Å; L173-Y222 HydrophobicContact CD2-CD2 4.28Å; L173-Y222 HydrophobicContact CD2-CE2 4.3Å; L173-Y222 HydrophobicContact CG-CD2 3.83Å; L173-Y222 HydrophobicContact CG-CE2 3.83Å; L173-C226 HydrophobicContact CD2-CB 4.17Å; L173-C226 VanDerWaalsContact CD2-N 3.33Å; L173-C226 WeakPolarHBondContact CD2-SG 3.48Å; L173-L229 HydrophobicContact CB-CD1 4.14Å; L173-L229 HydrophobicContact CD2-CD1 3.84Å
174G94.9Very high95.6Very high26 Ų2659.7 Ų59.727%0.26832%0.317SS..Hα-helixtrans-60.6-40.9175.200000112.9E170 Q171 E172 K178E170-G174 PolarHBondContact O-N 3.32Å; Q171-G174 PolarHBondContact O-N 3.18Å; E172-G174 VanDerWaalsContact C-N 3.34Å; E172-G174 PolarHBondContact O-N 3.25Å; G174-K178 VanDerWaalsContact O-CB 3.25Å; G174-K178 WeakPolarHBondContact O-CB 3.34Å; G174-K178 PolarHBondContact O-N 2.93Å
175I96.6Very high95.6Very high100 Ų10062.8 Ų62.851%0.51333%0.334SS..Hα-helixtrans-64.3-48.9175.9-68164.3000110.7Q171 E172 L173 Y177 K178 A179Q171-I175 HydrophobicContact CG-CD1 4.19Å; Q171-I175 WeakPolarHBondContact O-CD1 3.45Å; Q171-I175 VanDerWaalsContact O-CG1 3.27Å; Q171-I175 WeakPolarHBondContact O-CG1 3.42Å; Q171-I175 PolarHBondContact O-N 3.19Å; E172-I175 WeakPolarHBondContact O-CB 3.46Å; E172-I175 PolarHBondContact O-N 3.12Å; E172-I175 VanDerWaalsContact O-N 3.14Å; L173-I175 VanDerWaalsContact C-N 3.34Å; L173-I175 PolarHBondContact O-N 3.07Å; I175-Y177 PolarHBondContact O-N 3.04Å; I175-K178 PolarHBondContact O-N 3.05Å; I175-A179 PolarHBondContact O-N 3.39Å
176Q97.3Very high95.6Very high39 Ų3964.5 Ų64.518%0.18234%0.343CS..Hα-helixtrans-64-41.9-179.5-63.7-53.7-35.200111.6K163 V164 E172 L173 A179 L180K163-Q176 HydrophobicContact CB-CG 4.16Å; V164-Q176 HydrophobicContact CG2-CB 3.78Å; E172-Q176 HydrophobicContact CG-CG 4.26Å; E172-Q176 WeakPolarHBondContact O-CG 3.37Å; E172-Q176 PolarHBondContact O-N 3.43Å; L173-Q176 PolarHBondContact O-N 3.18Å; Q176-A179 PolarHBondContact O-N 3.28Å; Q176-L180 VanDerWaalsContact O-CB 3.29Å; Q176-L180 WeakPolarHBondContact O-CB 3.43Å; Q176-L180 PolarHBondContact O-N 3.17Å
177Y96.3Very high95.7Very high48 Ų4860.1 Ų60.119%0.18832%0.319CS..Hα-helixtrans-65.3-43.2177.9-177.8-105.3000112.3L173 I175 A179 L180 K181 V218 Y222L173-Y177 WeakPolarHBondContact O-CB 3.33Å; L173-Y177 PolarHBondContact O-N 2.99Å; I175-Y177 PolarHBondContact O-N 3.04Å; Y177-A179 PolarHBondContact O-N 3.35Å; Y177-L180 PolarHBondContact O-N 3.31Å; Y177-L180 VanDerWaalsContact O-N 3.15Å; Y177-K181 PolarHBondContact O-N 3.4Å; Y177-V218 HydrophobicContact CE2-CG1 3.82Å; Y177-Y222 AromaticContact CD1-CD2 3.99Å; Y177-Y222 HydrophobicContact CD1-CD2 3.99Å; Y177-Y222 HydrophobicContact CD1-CE2 4.23Å; Y177-Y222 HydrophobicContact CD1-CG 4.22Å; Y177-Y222 AromaticContact CD2-CD2 3.9Å; Y177-Y222 HydrophobicContact CD2-CD2 3.9Å; Y177-Y222 AromaticContact CD2-CG 3.95Å; Y177-Y222 HydrophobicContact CD2-CG 3.95Å; Y177-Y222 HydrophobicContact CE2-CG 4.25Å; Y177-Y222 AromaticContact CG-CD2 3.53Å; Y177-Y222 HydrophobicContact CG-CD2 3.53Å; Y177-Y222 HydrophobicContact CG-CE2 4.09Å; Y177-Y222 AromaticContact CG-CG 3.93Å; Y177-Y222 HydrophobicContact CG-CG 3.93Å
178K96.3Very high95.6Very high172 Ų17261.1 Ų61.175%0.74832%0.324SS*.Hα-helixtrans-62.6-32.7176.5-169.7173.8-1771770112.2G174 I175 P182G174-K178 VanDerWaalsContact O-CB 3.25Å; G174-K178 WeakPolarHBondContact O-CB 3.34Å; G174-K178 PolarHBondContact O-N 2.93Å; I175-K178 PolarHBondContact O-N 3.05Å; K178-P182 VanDerWaalsContact O-CD 3.28Å; K178-P182 WeakPolarHBondContact O-CD 3.49Å
179A95.1Very high95.7Very high49 Ų4964.7 Ų64.741%0.40533%0.329SS..Hα-helixtrans-76.5-36.4172.700000112.9I175 Q176 Y177 P182I175-A179 PolarHBondContact O-N 3.39Å; Q176-A179 PolarHBondContact O-N 3.28Å; Y177-A179 PolarHBondContact O-N 3.35Å; A179-P182 WeakPolarHBondContact O-CD 3.48Å; A179-P182 WeakPolarHBondContact O-CG 3.2Å
180L96.8Very high95.7Very high1 Ų163.2 Ų63.21%0.00532%0.317CS..Hα-helixtrans-69.7-43.1-178.917367000112.7V157 N160 L161 V164 Q176 Y177 E183 V184 V218V157-L180 HydrophobicContact CG1-CD1 4.27Å; N160-L180 HydrophobicContact CB-CB 4.43Å; N160-L180 HydrophobicContact CB-CD1 3.61Å; L161-L180 HydrophobicContact CD2-CD2 3.8Å; L161-L180 HydrophobicContact CG-CD1 4.32Å; L161-L180 HydrophobicContact CG-CD2 4.39Å; V164-L180 HydrophobicContact CG2-CB 4.34Å; V164-L180 HydrophobicContact CG2-CD2 3.76Å; Q176-L180 VanDerWaalsContact O-CB 3.29Å; Q176-L180 WeakPolarHBondContact O-CB 3.43Å; Q176-L180 PolarHBondContact O-N 3.17Å; Y177-L180 PolarHBondContact O-N 3.31Å; Y177-L180 VanDerWaalsContact O-N 3.15Å; L180-E183 WeakPolarHBondContact O-CB 3.5Å; L180-E183 PolarHBondContact O-N 3.31Å; L180-V184 HydrophobicContact CD1-CG2 3.63Å; L180-V184 HydrophobicContact CG-CG2 3.81Å; L180-V184 PolarHBondContact O-N 2.99Å; L180-V218 HydrophobicContact CD2-CG1 4.08Å
181K95.1Very high95.8Very high76 Ų7658.7 Ų58.733%0.3330%0.296SS..Hα-helixtrans-52.1-51.1-172.4-173.363.6175.174.90114.5Y177 E183 V184 D185Y177-K181 PolarHBondContact O-N 3.4Å; K181-E183 VanDerWaalsContact C-N 3.28Å; K181-E183 PolarHBondContact O-N 2.81Å; K181-V184 PolarHBondContact O-N 3.17Å; K181-D185 IonicContact NZ-OD1 3.72Å; K181-D185 PolarHBondContact NZ-OD1 3.01Å; K181-D185 IonicContact NZ-OD2 3.98Å; K181-D185 PolarHBondContact NZ-OD2 3.39Å; K181-D185 PolarHBondContact O-N 3.38Å
182P96.6Very high95.7Very high68 Ų6852.4 Ų52.444%0.44227%0.27SS..Hα-helixtrans-64.1-32.117825.3-35000113K178 A179 D185 K186K178-P182 VanDerWaalsContact O-CD 3.28Å; K178-P182 WeakPolarHBondContact O-CD 3.49Å; A179-P182 WeakPolarHBondContact O-CD 3.48Å; A179-P182 WeakPolarHBondContact O-CG 3.2Å; P182-D185 PolarHBondContact O-N 2.7Å; P182-K186 WeakPolarHBondContact O-CB 3.25Å; P182-K186 PolarHBondContact O-N 3.26Å
183E97.1Very high95.4Very high52 Ų5251.7 Ų51.724%0.24327%0.266CS..Hα-helixtrans-69.8-35.7177.9-59-56.4153.300112.1Q153 L156 V157 L180 K181 L187Q153-E183 PolarHBondContact NE2-O 3.17Å; Q153-E183 PolarHBondContact NE2-OE2 3.33Å; L156-E183 HydrophobicContact CD2-CG 4.07Å; L156-E183 VanDerWaalsContact CD2-OE2 3.29Å; L156-E183 WeakPolarHBondContact CD2-OE2 3.16Å; L156-E183 HydrophobicContact CG-CG 4.47Å; V157-E183 HydrophobicContact CG2-CB 4.01Å; V157-E183 WeakPolarHBondContact CG2-O 3.39Å; L180-E183 WeakPolarHBondContact O-CB 3.5Å; L180-E183 PolarHBondContact O-N 3.31Å; K181-E183 VanDerWaalsContact C-N 3.28Å; K181-E183 PolarHBondContact O-N 2.81Å; E183-L187 WeakPolarHBondContact O-CB 3.48Å; E183-L187 PolarHBondContact O-N 3.38Å
184V96.9Very high95.2Very high3 Ų352 Ų522%0.01827%0.267CS..Hα-helixtrans-67.1-42.2172.6172.70000110.9V157 L180 K181 L187 N188 L214 V218V157-V184 HydrophobicContact CG1-CG2 3.87Å; V157-V184 HydrophobicContact CG2-CG2 4.28Å; L180-V184 HydrophobicContact CD1-CG2 3.63Å; L180-V184 HydrophobicContact CG-CG2 3.81Å; L180-V184 PolarHBondContact O-N 2.99Å; K181-V184 PolarHBondContact O-N 3.17Å; V184-L187 PolarHBondContact O-N 3.33Å; V184-N188 WeakPolarHBondContact O-CB 3.36Å; V184-N188 PolarHBondContact O-N 2.93Å; V184-L214 HydrophobicContact CG1-CD2 4.33Å; V184-L214 HydrophobicContact CG1-CG 4.33Å; V184-V218 HydrophobicContact CG1-CG2 4.31Å; V184-V218 HydrophobicContact CG2-CG1 4.48Å; V184-V218 HydrophobicContact CG2-CG2 4.05Å
185D95.3Very high95Very high66 Ų6652.7 Ų52.735%0.35326%0.263SS..Hα-helixtrans-64.8-42.1178.7-68-27.6000111.5K181 P182 N188 M189K181-D185 IonicContact NZ-OD1 3.72Å; K181-D185 PolarHBondContact NZ-OD1 3.01Å; K181-D185 IonicContact NZ-OD2 3.98Å; K181-D185 PolarHBondContact NZ-OD2 3.39Å; K181-D185 PolarHBondContact O-N 3.38Å; P182-D185 PolarHBondContact O-N 2.7Å; D185-N188 PolarHBondContact O-N 2.9Å; D185-M189 PolarHBondContact O-N 3.47Å
186K95.9Very high94.5Very high102 Ų10254.8 Ų54.844%0.44327%0.271SS..Hα-helixtrans-62-46.6173.7-175.7179172.1-151.30111.9Q153 P182 N188 M189 M190Q153-K186 HydrophobicContact CG-CG 4.45Å; P182-K186 WeakPolarHBondContact O-CB 3.25Å; P182-K186 PolarHBondContact O-N 3.26Å; K186-N188 VanDerWaalsContact C-N 3.32Å; K186-N188 PolarHBondContact O-N 3.31Å; K186-M189 PolarHBondContact O-N 2.81Å; K186-M190 HydrophobicContact CG-SD 4.27Å; K186-M190 WeakPolarHBondContact O-CG 3.47Å; K186-M190 PolarHBondContact O-N 2.58Å; K186-M190 VanDerWaalsContact O-N 3.11Å
187L96.7Very high93.9Very high0 Ų054.5 Ų54.50%027%0.269CS..Hα-helixtrans-57.8-45.8174.7174.460.7000111.4L150 Q153 L154 V157 E183 V184 M189 M190 A191 L214L150-L187 HydrophobicContact CD1-CD1 3.56Å; Q153-L187 HydrophobicContact CB-CD1 4.49Å; Q153-L187 HydrophobicContact CG-CB 3.91Å; Q153-L187 HydrophobicContact CG-CD1 4.29Å; L154-L187 HydrophobicContact CB-CD1 4.05Å; L154-L187 HydrophobicContact CD1-CD1 3.8Å; L154-L187 HydrophobicContact CD1-CD2 3.67Å; L154-L187 HydrophobicContact CD1-CG 4.32Å; V157-L187 HydrophobicContact CB-CD2 3.89Å; V157-L187 HydrophobicContact CG1-CD2 3.95Å; V157-L187 HydrophobicContact CG2-CB 4.06Å; V157-L187 HydrophobicContact CG2-CD2 3.79Å; E183-L187 WeakPolarHBondContact O-CB 3.48Å; E183-L187 PolarHBondContact O-N 3.38Å; V184-L187 PolarHBondContact O-N 3.33Å; L187-M189 VanDerWaalsContact C-N 3.33Å; L187-M189 PolarHBondContact O-N 3.32Å; L187-M190 PolarHBondContact O-N 3.37Å; L187-A191 VanDerWaalsContact O-CB 3.3Å; L187-A191 WeakPolarHBondContact O-CB 3.49Å; L187-A191 PolarHBondContact O-N 2.91Å; L187-L214 HydrophobicContact CD2-CD2 3.58Å; L187-L214 HydrophobicContact CG-CD2 4.36Å
188N94.7Very high93.4Very high25 Ų2552.4 Ų52.413%0.13426%0.262CS..Hα-helixtrans-61.6-41.2-179.3178.460000112.2V184 D185 K186 A191 A192 R211 Q215V184-N188 WeakPolarHBondContact O-CB 3.36Å; V184-N188 PolarHBondContact O-N 2.93Å; D185-N188 PolarHBondContact O-N 2.9Å; K186-N188 VanDerWaalsContact C-N 3.32Å; K186-N188 PolarHBondContact O-N 3.31Å; N188-A191 PolarHBondContact O-N 2.99Å; N188-A192 VanDerWaalsContact O-CB 3.3Å; N188-A192 WeakPolarHBondContact O-CB 3.42Å; N188-A192 PolarHBondContact O-N 3.41Å; N188-R211 PolarHBondContact O-NE 2.74Å; N188-R211 PolarHBondContact OD1-NE 2.97Å; N188-R211 PolarHBondContact OD1-NH2 3.4Å; N188-Q215 HydrophobicContact CB-CG 4.5Å; N188-Q215 PolarHBondContact ND2-NE2 3.22Å
189M95Very high92.7Very high128 Ų12847.7 Ų47.763%0.63124%0.241SC*.Hα-helixtrans-62.6-46.1175.9-176.9-175.567.100111.7D185 K186 L187 A192 K193D185-M189 PolarHBondContact O-N 3.47Å; K186-M189 PolarHBondContact O-N 2.81Å; L187-M189 VanDerWaalsContact C-N 3.33Å; L187-M189 PolarHBondContact O-N 3.32Å; M189-A192 WeakPolarHBondContact O-CB 3.37Å; M189-A192 PolarHBondContact O-N 2.92Å; M189-K193 PolarHBondContact O-N 3.46Å
190M94.1Very high91.9Very high43 Ų4347.8 Ų47.821%0.21224%0.235CC..Hα-helixtrans-64.4-42.4178.2-64.8174.473.200111.7K149 L150 Q153 K186 L187 K193 R194K149-M190 HydrophobicContact CB-CE 3.78Å; L150-M190 HydrophobicContact CB-CE 4.18Å; L150-M190 HydrophobicContact CD1-CB 3.7Å; Q153-M190 HydrophobicContact CB-SD 4Å; Q153-M190 HydrophobicContact CG-SD 4.02Å; K186-M190 HydrophobicContact CG-SD 4.27Å; K186-M190 WeakPolarHBondContact O-CG 3.47Å; K186-M190 PolarHBondContact O-N 2.58Å; K186-M190 VanDerWaalsContact O-N 3.11Å; L187-M190 PolarHBondContact O-N 3.37Å; M190-K193 PolarHBondContact O-N 3.32Å; M190-R194 PolarHBondContact O-N 2.72Å
191A94.9Very high90.9Very high0 Ų051 Ų510%026%0.255CS..Hα-helixtrans-65.9-36.4176.400000112L150 L187 N188 R194 Q195 M207 R211 I255L150-A191 HydrophobicContact CD1-CB 4.27Å; L187-A191 VanDerWaalsContact O-CB 3.3Å; L187-A191 WeakPolarHBondContact O-CB 3.49Å; L187-A191 PolarHBondContact O-N 2.91Å; N188-A191 PolarHBondContact O-N 2.99Å; A191-R194 PolarHBondContact O-N 3.34Å; A191-Q195 WeakPolarHBondContact O-CB 3.37Å; A191-Q195 PolarHBondContact O-N 3.02Å; A191-M207 HydrophobicContact CB-SD 3.93Å; A191-R211 HydrophobicContact CB-CG 3.79Å; A191-I255 HydrophobicContact CB-CG2 4.2Å
192A92.8Very high90.1Very high22 Ų2250.6 Ų50.618%0.18225%0.254CS..Hα-helixtrans-63.7-44.8174.900000112.1N188 M189 R194 Q195 Q196 R211N188-A192 VanDerWaalsContact O-CB 3.3Å; N188-A192 WeakPolarHBondContact O-CB 3.42Å; N188-A192 PolarHBondContact O-N 3.41Å; M189-A192 WeakPolarHBondContact O-CB 3.37Å; M189-A192 PolarHBondContact O-N 2.92Å; A192-R194 VanDerWaalsContact C-N 3.34Å; A192-Q195 WeakPolarHBondContact O-CB 3.43Å; A192-Q195 PolarHBondContact O-N 3.4Å; A192-Q196 WeakPolarHBondContact O-CG 3.39Å; A192-Q196 PolarHBondContact O-N 3.2Å; A192-R211 VanDerWaalsContact CB-CZ 3.43Å
193K89.5Confident89.5Confident65 Ų6549 Ų4928%0.28324%0.24SC..Hα-helixtrans-59.9-47.6174.7179.1173.4168.8173.20110.6M189 M190 Q195 Q196 E197 S973 I974M189-K193 PolarHBondContact O-N 3.46Å; M190-K193 PolarHBondContact O-N 3.32Å; K193-Q195 VanDerWaalsContact C-N 3.33Å; K193-Q195 PolarHBondContact O-N 2.84Å; K193-Q196 PolarHBondContact O-N 2.86Å; K193-Q196 VanDerWaalsContact O-N 3.15Å; K193-E197 VanDerWaalsContact CE-OE1 3.26Å; K193-E197 WeakPolarHBondContact CE-OE1 3.36Å; K193-E197 WeakPolarHBondContact O-CG 3.24Å; K193-E197 PolarHBondContact O-N 3.42Å; K193-S973 WeakPolarHBondContact CE-O 3.46Å; K193-S973 PolarHBondContact NZ-O 3.5Å; K193-I974 VanDerWaalsContact NZ-C 3.31Å; K193-I974 VanDerWaalsContact NZ-CA 3.29Å; K193-I974 PolarHBondContact NZ-OXT 3.23Å
194R90.7Very high88.9Confident8 Ų848.9 Ų48.93%0.0324%0.239CC..Hα-helixtrans-59.1-44176.9-175.158.3179.8179.36.4112.2W13 D143 V147 L150 M190 A191 A192 Q196 E197 L198 M207 A259W13-R194 VanDerWaalsContact CZ2-NH2 3.3Å; D143-R194 IonicContact OD1-CZ 2.78Å; D143-R194 IonicContact OD1-NH1 2.71Å; D143-R194 PolarHBondContact OD1-NH1 2.79Å; D143-R194 IonicContact OD2-NH1 2.92Å; D143-R194 IonicContact OD2-NH2 2.7Å; V147-R194 VanDerWaalsContact CG2-CZ 3.49Å; L150-R194 HydrophobicContact CD2-CB 4.06Å; L150-R194 HydrophobicContact CD2-CG 4.18Å; M190-R194 PolarHBondContact O-N 2.72Å; A191-R194 PolarHBondContact O-N 3.34Å; A192-R194 VanDerWaalsContact C-N 3.34Å; R194-Q196 VanDerWaalsContact C-N 3.26Å; R194-Q196 PolarHBondContact O-N 3.09Å; R194-E197 IonicContact NH1-OE2 3.24Å; R194-E197 PolarHBondContact O-N 3.05Å; R194-L198 WeakPolarHBondContact O-CG 3.5Å; R194-L198 PolarHBondContact O-N 2.92Å; R194-M207 HydrophobicContact CG-CE 4.31Å; R194-A259 HydrophobicContact CG-CB 4.38Å; R194-A259 PolarHBondContact NE-O 3.49Å
195Q90.6Very high88.1Confident39 Ų3950.4 Ų50.418%0.18225%0.247CC..Hα-helixtrans-53.8-42.8176.7-173.7-176.2-3500112.2A191 A192 K193 E197 K204 M207A191-Q195 WeakPolarHBondContact O-CB 3.37Å; A191-Q195 PolarHBondContact O-N 3.02Å; A192-Q195 WeakPolarHBondContact O-CB 3.43Å; A192-Q195 PolarHBondContact O-N 3.4Å; K193-Q195 VanDerWaalsContact C-N 3.33Å; K193-Q195 PolarHBondContact O-N 2.84Å; Q195-E197 VanDerWaalsContact C-N 3.27Å; Q195-E197 PolarHBondContact O-N 2.7Å; Q195-K204 HydrophobicContact CG-CB 4.12Å; Q195-K204 HydrophobicContact CG-CG 4.49Å; Q195-K204 WeakPolarHBondContact CG-O 3.21Å; Q195-K204 WeakPolarHBondContact O-CE 3.45Å; Q195-K204 WeakPolarHBondContact O-CG 3.44Å; Q195-M207 HydrophobicContact CB-CB 4.28Å; Q195-M207 HydrophobicContact CB-CG 3.73Å; Q195-M207 HydrophobicContact CG-CB 4.15Å; Q195-M207 HydrophobicContact CG-CG 4.1Å
196Q87.3Confident87.7Confident145 Ų14551 Ų5168%0.67825%0.247SC*.Hα-helixtrans-66.8-31.6179.1-67.2176.11.800112.3A192 K193 R194A192-Q196 WeakPolarHBondContact O-CG 3.39Å; A192-Q196 PolarHBondContact O-N 3.2Å; K193-Q196 PolarHBondContact O-N 2.86Å; K193-Q196 VanDerWaalsContact O-N 3.15Å; R194-Q196 VanDerWaalsContact C-N 3.26Å; R194-Q196 PolarHBondContact O-N 3.09Å
197E84.5Confident87.4Confident32 Ų3246.1 Ų46.115%0.1523%0.226CC..Hα-helixtrans-83.6-23.5-176.6-67.5171.3176.600114.1T22 L23 K193 R194 Q195T22-E197 CarbonylContact C-O 3.59Å; T22-E197 VanDerWaalsContact CA-O 3.29Å; T22-E197 WeakPolarHBondContact CA-O 3.45Å; T22-E197 HydrophobicContact CG2-CB 3.86Å; L23-E197 PolarHBondContact N-O 3.35Å; K193-E197 VanDerWaalsContact CE-OE1 3.26Å; K193-E197 WeakPolarHBondContact CE-OE1 3.36Å; K193-E197 WeakPolarHBondContact O-CG 3.24Å; K193-E197 PolarHBondContact O-N 3.42Å; R194-E197 IonicContact NH1-OE2 3.24Å; R194-E197 PolarHBondContact O-N 3.05Å; Q195-E197 VanDerWaalsContact C-N 3.27Å; Q195-E197 PolarHBondContact O-N 2.7Å
198L85.1Confident87.1Confident5 Ų547.8 Ų47.83%0.02624%0.24CC..BIsolated β-bridgetrans-56.7146176.2-70.5172.3000110.7R194 H203 K204 M207R194-L198 WeakPolarHBondContact O-CG 3.5Å; R194-L198 PolarHBondContact O-N 2.92Å; L198-H203 HydrophobicContact CD1-CB 4.01Å; L198-K204 HydrophobicContact CB-CG 3.96Å; L198-K204 WeakPolarHBondContact O-CE 3.46Å; L198-K204 PolarHBondContact O-NZ 3.33Å; L198-K204 VanDerWaalsContact O-NZ 3.13Å; L198-M207 HydrophobicContact CD1-CB 4.46Å
199K81.5Confident86.8Confident72 Ų7247.6 Ų47.631%0.31324%0.242SC..SBendtrans-87-45.6179-65.2-175.4178.7-162.80112.2I20 T22 L23 E26 V201I20-K199 VanDerWaalsContact O-CE 3.22Å; I20-K199 WeakPolarHBondContact O-CE 3.46Å; I20-K199 PolarHBondContact O-NZ 3.47Å; T22-K199 WeakPolarHBondContact O-CE 3.35Å; L23-K199 HydrophobicContact CD2-CG 4.17Å; L23-K199 HydrophobicContact CG-CG 4.25Å; E26-K199 WeakPolarHBondContact OE2-CE 3.36Å; E26-K199 IonicContact OE2-NZ 2.87Å; E26-K199 PolarHBondContact OE2-NZ 2.86Å; K199-V201 PolarHBondContact O-N 2.9Å
200D78Confident86.6Confident52 Ų5242 Ų4228%0.27822%0.216SC..  trans-77.7120.5-177.6-176.3-5.9000111.1H202 H203 K204D200-H202 PolarHBondContact O-N 3.28Å; D200-H202 VanDerWaalsContact OD1-CB 3.22Å; D200-H202 WeakPolarHBondContact OD1-CB 3.26Å; D200-H202 PolarHBondContact OD1-N 3.35Å; D200-H203 HydrophobicContact CB-CB 4.43Å; D200-H203 WeakPolarHBondContact CB-ND1 3.5Å; D200-H203 PolarHBondContact O-N 2.91Å; D200-H203 IonicContact OD2-CE1 2.75Å; D200-H203 PolarHBondContact OD2-CE1 2.87Å; D200-H203 IonicContact OD2-CG 3.85Å; D200-H203 IonicContact OD2-ND1 2.69Å; D200-H203 PolarHBondContact OD2-ND1 2.87Å; D200-K204 WeakPolarHBondContact O-CG 3.23Å; D200-K204 PolarHBondContact O-N 3.49Å; D200-K204 VanDerWaalsContact O-N 3.14Å
201V77.7Confident86.7Confident69 Ų6941.8 Ų41.842%0.41821%0.213SC..Hα-helixtrans-57.5-35.3176.5-177.60000110.7K199 H203 K204 D205K199-V201 PolarHBondContact O-N 2.9Å; V201-H203 PolarHBondContact O-N 3.38Å; V201-K204 WeakPolarHBondContact O-CB 3.38Å; V201-K204 PolarHBondContact O-N 2.85Å; V201-K204 VanDerWaalsContact O-N 3.12Å; V201-D205 PolarHBondContact O-N 3.38Å; V201-D205 VanDerWaalsContact O-N 3.08Å
202H78.3Confident86.5Confident67 Ų6743.5 Ų43.531%0.3123%0.23SC..Hα-helixtrans-57-50.7177-171.876.5000112.3D200 K204 D205 Q206D200-H202 PolarHBondContact O-N 3.28Å; D200-H202 VanDerWaalsContact OD1-CB 3.22Å; D200-H202 WeakPolarHBondContact OD1-CB 3.26Å; D200-H202 PolarHBondContact OD1-N 3.35Å; H202-K204 VanDerWaalsContact C-N 3.31Å; H202-K204 PolarHBondContact O-N 3.1Å; H202-D205 PolarHBondContact O-N 3.04Å; H202-Q206 PolarHBondContact CD2-NE2 3.39Å; H202-Q206 VanDerWaalsContact CD2-NE2 3.3Å; H202-Q206 PolarHBondContact NE2-NE2 2.92Å; H202-Q206 WeakPolarHBondContact O-CG 3.36Å; H202-Q206 PolarHBondContact O-N 3.46Å
203H82.5Confident86.4Confident34 Ų3443.6 Ų43.616%0.15723%0.229CC..Hα-helixtrans-68.5-29178.2-63124.1000112.7L198 D200 V201 M207 A261L198-H203 HydrophobicContact CD1-CB 4.01Å; D200-H203 HydrophobicContact CB-CB 4.43Å; D200-H203 WeakPolarHBondContact CB-ND1 3.5Å; D200-H203 PolarHBondContact O-N 2.91Å; D200-H203 IonicContact OD2-CE1 2.75Å; D200-H203 PolarHBondContact OD2-CE1 2.87Å; D200-H203 IonicContact OD2-CG 3.85Å; D200-H203 IonicContact OD2-ND1 2.69Å; D200-H203 PolarHBondContact OD2-ND1 2.87Å; V201-H203 PolarHBondContact O-N 3.38Å; H203-M207 VanDerWaalsContact O-CB 3.31Å; H203-M207 WeakPolarHBondContact O-CB 3.29Å; H203-M207 PolarHBondContact O-N 3.43Å; H203-A261 HydrophobicContact CB-CB 4.12Å; H203-A261 VanDerWaalsContact CG-CB 3.46Å
204K84.7Confident86.7Confident50 Ų5040.6 Ų40.622%0.21722%0.216CC..Hα-helixtrans-61.3-45.3172.6-67.1-169.7177.3178.80111.8Q195 L198 D200 V201 H202 M207 A208Q195-K204 HydrophobicContact CG-CB 4.12Å; Q195-K204 HydrophobicContact CG-CG 4.49Å; Q195-K204 WeakPolarHBondContact CG-O 3.21Å; Q195-K204 WeakPolarHBondContact O-CE 3.45Å; Q195-K204 WeakPolarHBondContact O-CG 3.44Å; L198-K204 HydrophobicContact CB-CG 3.96Å; L198-K204 WeakPolarHBondContact O-CE 3.46Å; L198-K204 PolarHBondContact O-NZ 3.33Å; L198-K204 VanDerWaalsContact O-NZ 3.13Å; D200-K204 WeakPolarHBondContact O-CG 3.23Å; D200-K204 PolarHBondContact O-N 3.49Å; D200-K204 VanDerWaalsContact O-N 3.14Å; V201-K204 WeakPolarHBondContact O-CB 3.38Å; V201-K204 PolarHBondContact O-N 2.85Å; V201-K204 VanDerWaalsContact O-N 3.12Å; H202-K204 VanDerWaalsContact C-N 3.31Å; H202-K204 PolarHBondContact O-N 3.1Å; K204-M207 WeakPolarHBondContact O-CB 3.19Å; K204-M207 PolarHBondContact O-N 3Å; K204-A208 PolarHBondContact O-N 2.94Å
205D81.6Confident86.8Confident35 Ų3544.2 Ų44.219%0.18723%0.233CC..Hα-helixtrans-76.1-36.8-176.9-58.3-29.1000111.5V201 H202 M207 A208 A209 K464V201-D205 PolarHBondContact O-N 3.38Å; V201-D205 VanDerWaalsContact O-N 3.08Å; H202-D205 PolarHBondContact O-N 3.04Å; D205-M207 VanDerWaalsContact C-N 3.26Å; D205-M207 PolarHBondContact O-N 2.99Å; D205-A208 PolarHBondContact O-N 2.86Å; D205-A209 VanDerWaalsContact O-CB 3.31Å; D205-A209 WeakPolarHBondContact O-CB 3.45Å; D205-A209 PolarHBondContact O-N 2.98Å; D205-K464 WeakPolarHBondContact OD2-CE 3.47Å; D205-K464 IonicContact OD2-NZ 3.9Å; D205-K464 PolarHBondContact OD2-NZ 3.14Å
206Q85.3Confident86.9Confident78 Ų7844.1 Ų44.136%0.36423%0.231SC..Hα-helixtrans-56.2-43.8169.3-73.3-173.4-6.400111.5H202 A210 A258H202-Q206 PolarHBondContact CD2-NE2 3.39Å; H202-Q206 VanDerWaalsContact CD2-NE2 3.3Å; H202-Q206 PolarHBondContact NE2-NE2 2.92Å; H202-Q206 WeakPolarHBondContact O-CG 3.36Å; H202-Q206 PolarHBondContact O-N 3.46Å; Q206-A210 VanDerWaalsContact O-CB 3.32Å; Q206-A210 WeakPolarHBondContact O-CB 3.45Å; Q206-A210 PolarHBondContact O-N 3.48Å; Q206-A258 HydrophobicContact CB-CB 4.29Å
207M91.1Very high87.2Confident0 Ų037.2 Ų37.20%020%0.199CC..Hα-helixtrans-62.8-46.3175.4-177.863.877.500111.3A191 R194 Q195 L198 H203 K204 D205 A209 A210 R211 I255 A258 A259A191-M207 HydrophobicContact CB-SD 3.93Å; R194-M207 HydrophobicContact CG-CE 4.31Å; Q195-M207 HydrophobicContact CB-CB 4.28Å; Q195-M207 HydrophobicContact CB-CG 3.73Å; Q195-M207 HydrophobicContact CG-CB 4.15Å; Q195-M207 HydrophobicContact CG-CG 4.1Å; L198-M207 HydrophobicContact CD1-CB 4.46Å; H203-M207 VanDerWaalsContact O-CB 3.31Å; H203-M207 WeakPolarHBondContact O-CB 3.29Å; H203-M207 PolarHBondContact O-N 3.43Å; K204-M207 WeakPolarHBondContact O-CB 3.19Å; K204-M207 PolarHBondContact O-N 3Å; D205-M207 VanDerWaalsContact C-N 3.26Å; D205-M207 PolarHBondContact O-N 2.99Å; M207-A209 PolarHBondContact O-N 3.44Å; M207-A210 PolarHBondContact O-N 3.11Å; M207-R211 HydrophobicContact CG-CG 4.45Å; M207-R211 WeakPolarHBondContact O-CB 3.13Å; M207-R211 WeakPolarHBondContact O-CD 3.44Å; M207-R211 WeakPolarHBondContact O-CG 3.36Å; M207-R211 PolarHBondContact O-N 3.42Å; M207-R211 HydrophobicContact SD-CG 4.27Å; M207-I255 HydrophobicContact CE-CG2 4.35Å; M207-I255 WeakPolarHBondContact CE-O 3.48Å; M207-I255 HydrophobicContact SD-CB 4.22Å; M207-I255 HydrophobicContact SD-CG1 4.17Å; M207-I255 HydrophobicContact SD-CG2 3.84Å; M207-A258 HydrophobicContact CB-CB 4.02Å; M207-A258 HydrophobicContact CE-CB 3.82Å; M207-A259 HydrophobicContact CE-CB 3.79Å; M207-A259 VanDerWaalsContact CE-N 3.3Å
208A89.6Confident87.7Confident35 Ų3535.8 Ų35.829%0.28919%0.192SC..Hα-helixtrans-59.3-47178.100000111.9K204 D205 R211 G212K204-A208 PolarHBondContact O-N 2.94Å; D205-A208 PolarHBondContact O-N 2.86Å; A208-R211 PolarHBondContact O-N 3.48Å; A208-G212 PolarHBondContact O-N 2.88Å
209A87.4Confident88.1Confident21 Ų2137.9 Ų37.917%0.17421%0.206CC..Hα-helixtrans-60-51.5179.100000111.8D205 M207 R211 G212 V213 M468D205-A209 VanDerWaalsContact O-CB 3.31Å; D205-A209 WeakPolarHBondContact O-CB 3.45Å; D205-A209 PolarHBondContact O-N 2.98Å; M207-A209 PolarHBondContact O-N 3.44Å; A209-R211 VanDerWaalsContact C-N 3.32Å; A209-R211 PolarHBondContact O-N 2.91Å; A209-G212 PolarHBondContact O-N 3.01Å; A209-V213 WeakPolarHBondContact O-CG2 3.41Å; A209-V213 PolarHBondContact O-N 3.38Å; A209-M468 HydrophobicContact CB-CG 4.39Å; A209-M468 HydrophobicContact CB-SD 3.29Å; A209-M468 WeakPolarHBondContact CB-SD 3.49Å
210A92.8Very high88.7Confident10 Ų1034.6 Ų34.68%0.08319%0.192CC..Hα-helixtrans-64.1-38.8-178.600000111.5Q206 M207 L214 I255Q206-A210 VanDerWaalsContact O-CB 3.32Å; Q206-A210 WeakPolarHBondContact O-CB 3.45Å; Q206-A210 PolarHBondContact O-N 3.48Å; M207-A210 PolarHBondContact O-N 3.11Å; A210-L214 WeakPolarHBondContact O-CB 3.15Å; A210-L214 PolarHBondContact O-N 3.27Å; A210-I255 HydrophobicContact CB-CG1 3.72Å
211R94.8Very high89.5Confident39 Ų3932.1 Ų32.115%0.14718%0.179CC..Hα-helixtrans-61.5-45.8171.9-72.3170.262.9-133.8-14.9112N188 A191 A192 M207 A208 A209 L214 Q215 I255N188-R211 PolarHBondContact O-NE 2.74Å; N188-R211 PolarHBondContact OD1-NE 2.97Å; N188-R211 PolarHBondContact OD1-NH2 3.4Å; A191-R211 HydrophobicContact CB-CG 3.79Å; A192-R211 VanDerWaalsContact CB-CZ 3.43Å; M207-R211 HydrophobicContact CG-CG 4.45Å; M207-R211 WeakPolarHBondContact O-CB 3.13Å; M207-R211 WeakPolarHBondContact O-CD 3.44Å; M207-R211 WeakPolarHBondContact O-CG 3.36Å; M207-R211 PolarHBondContact O-N 3.42Å; M207-R211 HydrophobicContact SD-CG 4.27Å; A208-R211 PolarHBondContact O-N 3.48Å; A209-R211 VanDerWaalsContact C-N 3.32Å; A209-R211 PolarHBondContact O-N 2.91Å; R211-L214 WeakPolarHBondContact O-CB 3.35Å; R211-L214 PolarHBondContact O-N 3.17Å; R211-Q215 WeakPolarHBondContact O-CG 3.48Å; R211-Q215 PolarHBondContact O-N 3.21Å; R211-I255 HydrophobicContact CG-CD1 4.16Å; R211-I255 HydrophobicContact CG-CG1 4.29Å
212G91.1Very high90.3Very high36 Ų3632.3 Ų32.337%0.37117%0.172SC..Hα-helixtrans-59.5-4817800000112.5A208 A209 L214 Q215 R216A208-G212 PolarHBondContact O-N 2.88Å; A209-G212 PolarHBondContact O-N 3.01Å; G212-L214 VanDerWaalsContact C-N 3.34Å; G212-L214 PolarHBondContact O-N 3.01Å; G212-Q215 PolarHBondContact O-N 2.91Å; G212-R216 WeakPolarHBondContact O-CB 3.42Å; G212-R216 PolarHBondContact O-N 3.49Å
213V91.6Very high91Very high24 Ų2430.6 Ų30.615%0.14517%0.166CC..Hα-helixtrans-60-43.7176175.10000111.1A209 N217 A251A209-V213 WeakPolarHBondContact O-CG2 3.41Å; A209-V213 PolarHBondContact O-N 3.38Å; V213-N217 VanDerWaalsContact O-CB 3.25Å; V213-N217 WeakPolarHBondContact O-CB 3.32Å; V213-N217 PolarHBondContact O-N 3.37Å; V213-A251 HydrophobicContact CB-CB 4.03Å; V213-A251 HydrophobicContact CG1-CB 3.83Å
214L95.3Very high91.4Very high1 Ų129 Ų291%0.00516%0.159CC..Hα-helixtrans-59.4-51.3177.4-179.870.9000111.7V157 L161 V184 L187 A210 R211 G212 R216 V218 L248 A251 V252 I255V157-L214 HydrophobicContact CG1-CD1 4.39Å; L161-L214 HydrophobicContact CD1-CD1 4.3Å; V184-L214 HydrophobicContact CG1-CD2 4.33Å; V184-L214 HydrophobicContact CG1-CG 4.33Å; L187-L214 HydrophobicContact CD2-CD2 3.58Å; L187-L214 HydrophobicContact CG-CD2 4.36Å; A210-L214 WeakPolarHBondContact O-CB 3.15Å; A210-L214 PolarHBondContact O-N 3.27Å; R211-L214 WeakPolarHBondContact O-CB 3.35Å; R211-L214 PolarHBondContact O-N 3.17Å; G212-L214 VanDerWaalsContact C-N 3.34Å; G212-L214 PolarHBondContact O-N 3.01Å; L214-R216 VanDerWaalsContact C-N 3.34Å; L214-R216 PolarHBondContact O-N 2.91Å; L214-V218 HydrophobicContact CD1-CG2 4.25Å; L214-V218 WeakPolarHBondContact O-CG2 3.31Å; L214-V218 PolarHBondContact O-N 3.1Å; L214-L248 HydrophobicContact CD1-CD2 3.8Å; L214-A251 HydrophobicContact CB-CB 4.33Å; L214-V252 HydrophobicContact CD1-CG2 4.07Å; L214-I255 HydrophobicContact CB-CD1 4.45Å; L214-I255 HydrophobicContact CD2-CD1 3.82Å
215Q93.1Very high91.8Very high85 Ų8526.7 Ų26.740%0.39715%0.149SC..Hα-helixtrans-63.4-40.6-177.4-71.8-167-5500112.5N188 R211 G212 P219N188-Q215 HydrophobicContact CB-CG 4.5Å; N188-Q215 PolarHBondContact ND2-NE2 3.22Å; R211-Q215 WeakPolarHBondContact O-CG 3.48Å; R211-Q215 PolarHBondContact O-N 3.21Å; G212-Q215 PolarHBondContact O-N 2.91Å; Q215-P219 VanDerWaalsContact O-CD 3.24Å; Q215-P219 WeakPolarHBondContact O-CD 3.34Å
216R91Very high92.3Very high36 Ų3625.8 Ų25.814%0.13615%0.146CC..Hα-helixtrans-67.8-48179.1175.6-178.866.2-172.17.9112.5G212 L214 V218 P219 M220 Q506G212-R216 WeakPolarHBondContact O-CB 3.42Å; G212-R216 PolarHBondContact O-N 3.49Å; L214-R216 VanDerWaalsContact C-N 3.34Å; L214-R216 PolarHBondContact O-N 2.91Å; R216-V218 PolarHBondContact O-N 2.95Å; R216-P219 WeakPolarHBondContact O-CD 3.46Å; R216-M220 HydrophobicContact CG-SD 3.81Å; R216-Q506 HydrophobicContact CG-CG 4.29Å
217N94.4Very high92.4Very high0 Ų022.1 Ų22.10%013%0.128CC..Hα-helixtrans-80.8-18.3-167.7-73.213.9000112.8V213 M220 L221 I244 Q247 L248V213-N217 VanDerWaalsContact O-CB 3.25Å; V213-N217 WeakPolarHBondContact O-CB 3.32Å; V213-N217 PolarHBondContact O-N 3.37Å; N217-M220 PolarHBondContact O-N 3.5Å; N217-L221 WeakPolarHBondContact O-CB 3.43Å; N217-L221 PolarHBondContact O-N 3.3Å; N217-I244 HydrophobicContact CB-CG2 3.98Å; N217-Q247 WeakPolarHBondContact ND2-CB 3.31Å; N217-Q247 PolarHBondContact ND2-OE1 3.23Å; N217-L248 HydrophobicContact CB-CD1 4.06Å; N217-L248 HydrophobicContact CB-CD2 3.57Å; N217-L248 HydrophobicContact CB-CG 3.65Å
218V95.5Very high92.4Very high3 Ų322.7 Ų22.72%0.01813%0.133CC..Hα-helixtrans-60.9-50.9178.5162.40000112.5L161 Y177 L180 V184 L214 R216 M220 L221 Y222 L248L161-V218 HydrophobicContact CD2-CG2 4.01Å; Y177-V218 HydrophobicContact CE2-CG1 3.82Å; L180-V218 HydrophobicContact CD2-CG1 4.08Å; V184-V218 HydrophobicContact CG1-CG2 4.31Å; V184-V218 HydrophobicContact CG2-CG1 4.48Å; V184-V218 HydrophobicContact CG2-CG2 4.05Å; L214-V218 HydrophobicContact CD1-CG2 4.25Å; L214-V218 WeakPolarHBondContact O-CG2 3.31Å; L214-V218 PolarHBondContact O-N 3.1Å; R216-V218 PolarHBondContact O-N 2.95Å; V218-M220 VanDerWaalsContact C-N 3.35Å; V218-M220 PolarHBondContact O-N 3.42Å; V218-L221 PolarHBondContact O-N 3.11Å; V218-Y222 PolarHBondContact O-N 2.93Å; V218-L248 HydrophobicContact CG2-CD2 3.88Å
219P93.3Very high92.5Very high48 Ų4823.1 Ų23.131%0.31213%0.13SC..Hα-helixtrans-60.7-39.3172.1-25.233.5000113.7Q215 R216 L221 Y222 T223Q215-P219 VanDerWaalsContact O-CD 3.24Å; Q215-P219 WeakPolarHBondContact O-CD 3.34Å; R216-P219 WeakPolarHBondContact O-CD 3.46Å; P219-L221 VanDerWaalsContact C-N 3.33Å; P219-L221 PolarHBondContact O-N 3.44Å; P219-Y222 WeakPolarHBondContact O-CB 3.49Å; P219-Y222 PolarHBondContact O-N 3.3Å; P219-Y222 VanDerWaalsContact O-N 3.15Å; P219-T223 PolarHBondContact O-N 3.02Å; P219-T223 VanDerWaalsContact O-N 3.12Å
220M93.6Very high92.5Very high4 Ų425.7 Ų25.72%0.0214%0.138CC..Hα-helixtrans-66.3-35.2179.4-60.5171.168.900112R216 N217 V218 Y222 T223 A224 I244 L476 V502 F503 Q506R216-M220 HydrophobicContact CG-SD 3.81Å; N217-M220 PolarHBondContact O-N 3.5Å; V218-M220 VanDerWaalsContact C-N 3.35Å; V218-M220 PolarHBondContact O-N 3.42Å; M220-Y222 VanDerWaalsContact C-N 3.29Å; M220-Y222 PolarHBondContact O-N 3.29Å; M220-T223 PolarHBondContact O-N 2.81Å; M220-T223 PolarHBondContact O-OG1 3.48Å; M220-T223 VanDerWaalsContact O-OG1 3.11Å; M220-A224 VanDerWaalsContact O-CB 3.25Å; M220-A224 WeakPolarHBondContact O-CB 3.38Å; M220-A224 PolarHBondContact O-N 3.37Å; M220-I244 HydrophobicContact CB-CD1 4.33Å; M220-I244 HydrophobicContact CB-CG2 4.5Å; M220-L476 HydrophobicContact CE-CD1 4.05Å; M220-V502 HydrophobicContact CG-CG1 3.93Å; M220-F503 HydrophobicContact CE-CD1 3.47Å; M220-F503 VanDerWaalsContact CE-CD1 3.47Å; M220-F503 HydrophobicContact CE-CE1 2.99Å; M220-F503 HydrophobicContact CE-CE2 4.45Å; M220-F503 HydrophobicContact CE-CG 4.37Å; M220-F503 HydrophobicContact CE-CZ 3.55Å; M220-Q506 HydrophobicContact CE-CG 4.24Å; M220-Q506 HydrophobicContact SD-CG 4.07Å
221L95.4Very high92.3Very high0 Ų026.6 Ų26.60%014%0.14CC..Hα-helixtrans-62.9-39173.4-179.565.6000110.9L161 V164 N217 V218 P219 S225 R241 I244 Y245 L248L161-L221 HydrophobicContact CD2-CD2 3.92Å; V164-L221 HydrophobicContact CB-CD2 4.38Å; V164-L221 HydrophobicContact CG1-CD2 3.92Å; V164-L221 HydrophobicContact CG1-CG 4.08Å; N217-L221 WeakPolarHBondContact O-CB 3.43Å; N217-L221 PolarHBondContact O-N 3.3Å; V218-L221 PolarHBondContact O-N 3.11Å; P219-L221 VanDerWaalsContact C-N 3.33Å; P219-L221 PolarHBondContact O-N 3.44Å; L221-S225 WeakPolarHBondContact O-CB 3.36Å; L221-S225 PolarHBondContact O-N 3.15Å; L221-S225 PolarHBondContact O-OG 2.97Å; L221-R241 HydrophobicContact CD1-CG 3.86Å; L221-I244 HydrophobicContact CB-CG2 3.85Å; L221-I244 HydrophobicContact CD1-CB 4.47Å; L221-I244 HydrophobicContact CD1-CG2 4.32Å; L221-Y245 HydrophobicContact CD2-CD2 4.4Å; L221-L248 HydrophobicContact CB-CD1 3.85Å; L221-L248 HydrophobicContact CD2-CD1 3.71Å; L221-L248 HydrophobicContact CG-CD1 4.26Å
222Y94.5Very high92Very high73 Ų7329.8 Ų29.829%0.28617%0.166SC..Hα-helixtrans-63.3-52.5176.8173.6-99.6000111.3L173 Y177 V218 P219 M220 A224 S225 C226L173-Y222 HydrophobicContact CD1-CD2 4.07Å; L173-Y222 HydrophobicContact CD2-CD2 4.28Å; L173-Y222 HydrophobicContact CD2-CE2 4.3Å; L173-Y222 HydrophobicContact CG-CD2 3.83Å; L173-Y222 HydrophobicContact CG-CE2 3.83Å; Y177-Y222 AromaticContact CD1-CD2 3.99Å; Y177-Y222 HydrophobicContact CD1-CD2 3.99Å; Y177-Y222 HydrophobicContact CD1-CE2 4.23Å; Y177-Y222 HydrophobicContact CD1-CG 4.22Å; Y177-Y222 AromaticContact CD2-CD2 3.9Å; Y177-Y222 HydrophobicContact CD2-CD2 3.9Å; Y177-Y222 AromaticContact CD2-CG 3.95Å; Y177-Y222 HydrophobicContact CD2-CG 3.95Å; Y177-Y222 HydrophobicContact CE2-CG 4.25Å; Y177-Y222 AromaticContact CG-CD2 3.53Å; Y177-Y222 HydrophobicContact CG-CD2 3.53Å; Y177-Y222 HydrophobicContact CG-CE2 4.09Å; Y177-Y222 AromaticContact CG-CG 3.93Å; Y177-Y222 HydrophobicContact CG-CG 3.93Å; V218-Y222 PolarHBondContact O-N 2.93Å; P219-Y222 WeakPolarHBondContact O-CB 3.49Å; P219-Y222 PolarHBondContact O-N 3.3Å; P219-Y222 VanDerWaalsContact O-N 3.15Å; M220-Y222 VanDerWaalsContact C-N 3.29Å; M220-Y222 PolarHBondContact O-N 3.29Å; Y222-A224 PolarHBondContact O-N 3.44Å; Y222-S225 PolarHBondContact O-N 3.35Å; Y222-S225 VanDerWaalsContact O-N 3.15Å; Y222-C226 PolarHBondContact O-N 2.94Å; Y222-C226 PolarHBondContact O-SG 3.17Å; Y222-C226 VanDerWaalsContact O-SG 3.35Å
223T91.9Very high91.9Very high30 Ų3033.4 Ų33.418%0.18418%0.177CC..Hα-helixtrans-63.3-42-179.160.30000112.1P219 M220 S225 C226 A227 N499 V502P219-T223 PolarHBondContact O-N 3.02Å; P219-T223 VanDerWaalsContact O-N 3.12Å; M220-T223 PolarHBondContact O-N 2.81Å; M220-T223 PolarHBondContact O-OG1 3.48Å; M220-T223 VanDerWaalsContact O-OG1 3.11Å; T223-S225 VanDerWaalsContact C-N 3.31Å; T223-S225 PolarHBondContact O-N 3.08Å; T223-C226 WeakPolarHBondContact O-CB 3.35Å; T223-C226 PolarHBondContact O-N 3.41Å; T223-A227 PolarHBondContact O-N 3.12Å; T223-N499 PolarHBondContact OG1-OD1 3.05Å; T223-V502 HydrophobicContact CG2-CG2 4.44Å
224A91.6Very high91.7Very high0 Ų033 Ų330%018%0.175CC..Hα-helixtrans-64.7-35.2175.500000112.3M220 Y222 C228 R241 I244M220-A224 VanDerWaalsContact O-CB 3.25Å; M220-A224 WeakPolarHBondContact O-CB 3.38Å; M220-A224 PolarHBondContact O-N 3.37Å; Y222-A224 PolarHBondContact O-N 3.44Å; A224-C228 PolarHBondContact O-N 3.41Å; A224-C228 PolarHBondContact O-SG 2.9Å; A224-R241 HydrophobicContact CB-CB 4.15Å; A224-I244 HydrophobicContact CB-CD1 3.57Å
225S94Very high91.4Very high2 Ų236.7 Ų36.71%0.01421%0.205CC..Hα-helixtrans-72.1-38.2175.6-58.70000112.1L221 Y222 T223 C228 L229 R241L221-S225 WeakPolarHBondContact O-CB 3.36Å; L221-S225 PolarHBondContact O-N 3.15Å; L221-S225 PolarHBondContact O-OG 2.97Å; Y222-S225 PolarHBondContact O-N 3.35Å; Y222-S225 VanDerWaalsContact O-N 3.15Å; T223-S225 VanDerWaalsContact C-N 3.31Å; T223-S225 PolarHBondContact O-N 3.08Å; S225-C228 WeakPolarHBondContact O-CB 3.35Å; S225-C228 PolarHBondContact O-N 3.45Å; S225-L229 WeakPolarHBondContact O-CG 3.38Å; S225-L229 PolarHBondContact O-N 2.92Å; S225-L229 VanDerWaalsContact O-N 3.13Å; S225-R241 VanDerWaalsContact OG-CD 3.25Å; S225-R241 WeakPolarHBondContact OG-CD 3.46Å; S225-R241 WeakPolarHBondContact OG-CG 3.43Å
226C91Very high91.1Very high17 Ų1733.6 Ų33.612%0.11520%0.195CC..Hα-helixtrans-58.7-48.7172.1-71.10000110.7L173 Y222 T223 C228 L229 Q230 V495L173-C226 HydrophobicContact CD2-CB 4.17Å; L173-C226 VanDerWaalsContact CD2-N 3.33Å; L173-C226 WeakPolarHBondContact CD2-SG 3.48Å; Y222-C226 PolarHBondContact O-N 2.94Å; Y222-C226 PolarHBondContact O-SG 3.17Å; Y222-C226 VanDerWaalsContact O-SG 3.35Å; T223-C226 WeakPolarHBondContact O-CB 3.35Å; T223-C226 PolarHBondContact O-N 3.41Å; C226-C228 VanDerWaalsContact C-N 3.34Å; C226-C228 PolarHBondContact O-N 2.89Å; C226-L229 PolarHBondContact O-N 3.36Å; C226-L229 VanDerWaalsContact O-N 3.13Å; C226-Q230 PolarHBondContact O-N 3.22Å; C226-Q230 VanDerWaalsContact O-N 3.1Å; C226-V495 HydrophobicContact CB-CG1 4.27Å
227A87.8Confident91Very high0 Ų032 Ų320%019%0.188CC..Hα-helixtrans-62-40.6179.500000112.5T223 L229 Q230 H231 Y237 V495T223-A227 PolarHBondContact O-N 3.12Å; A227-L229 VanDerWaalsContact C-N 3.29Å; A227-L229 PolarHBondContact O-N 3.48Å; A227-Q230 PolarHBondContact O-N 2.88Å; A227-H231 PolarHBondContact O-N 2.81Å; A227-Y237 HydrophobicContact CB-CD1 3.43Å; A227-Y237 VanDerWaalsContact CB-CD1 3.43Å; A227-Y237 HydrophobicContact CB-CD2 4.23Å; A227-Y237 HydrophobicContact CB-CE1 3.5Å; A227-Y237 HydrophobicContact CB-CE2 4.34Å; A227-Y237 HydrophobicContact CB-CG 3.84Å; A227-V495 HydrophobicContact CB-CG1 3.88Å
228C91.1Very high90.8Very high13 Ų1338 Ų389%0.08821%0.214CC..Hα-helixtrans-58.1-38.7173.4-72.80000113.3A224 S225 C226 H231 P232 Y237A224-C228 PolarHBondContact O-N 3.41Å; A224-C228 PolarHBondContact O-SG 2.9Å; S225-C228 WeakPolarHBondContact O-CB 3.35Å; S225-C228 PolarHBondContact O-N 3.45Å; C226-C228 VanDerWaalsContact C-N 3.34Å; C226-C228 PolarHBondContact O-N 2.89Å; C228-H231 CarbonylContact O-C 3.57Å; C228-P232 WeakPolarHBondContact O-CA 3.45Å; C228-Y237 PolarHBondContact SG-O 2.85Å
229L91.6Very high90.5Very high44 Ų4440.2 Ų40.223%0.2323%0.234CC..Hα-helixtrans-75.6-34.9-177.1-72.6171.4000112G168 E170 L173 S225 C226 A227G168-L229 WeakPolarHBondContact O-CD2 3.41Å; E170-L229 HydrophobicContact CG-CB 4.48Å; L173-L229 HydrophobicContact CB-CD1 4.14Å; L173-L229 HydrophobicContact CD2-CD1 3.84Å; S225-L229 WeakPolarHBondContact O-CG 3.38Å; S225-L229 PolarHBondContact O-N 2.92Å; S225-L229 VanDerWaalsContact O-N 3.13Å; C226-L229 PolarHBondContact O-N 3.36Å; C226-L229 VanDerWaalsContact O-N 3.13Å; A227-L229 VanDerWaalsContact C-N 3.29Å; A227-L229 PolarHBondContact O-N 3.48Å
230Q87.3Confident90.5Very high75 Ų7538 Ų3835%0.3522%0.219SC..Hα-helixtrans-76.5-34.3176.8-71.7-168.2-600113.6E170 C226 A227 P232E170-Q230 WeakPolarHBondContact OE1-CG 3.48Å; E170-Q230 PolarHBondContact OE1-NE2 3.35Å; C226-Q230 PolarHBondContact O-N 3.22Å; C226-Q230 VanDerWaalsContact O-N 3.1Å; A227-Q230 PolarHBondContact O-N 2.88Å; Q230-P232 VanDerWaalsContact C-CD 3.48Å
231H88.3Confident90.5Very high28 Ų2839.5 Ų39.513%0.1322%0.224CC..  trans-12768.4-177.6-54-72.7000111.1A227 C228 D233 V234 Y237 S493A227-H231 PolarHBondContact O-N 2.81Å; C228-H231 CarbonylContact O-C 3.57Å; H231-D233 PolarHBondContact O-N 3.12Å; H231-D233 VanDerWaalsContact O-N 3.17Å; H231-V234 HydrophobicContact CB-CB 4.34Å; H231-V234 HydrophobicContact CB-CG2 3.98Å; H231-V234 PolarHBondContact O-N 3.34Å; H231-V234 VanDerWaalsContact O-N 3.14Å; H231-Y237 HydrophobicContact CB-CD2 3.98Å; H231-Y237 HydrophobicContact CB-CE2 3.85Å; H231-S493 PolarHBondContact NE2-OG 3.19Å
232P88.4Confident90.4Very high106 Ų10641.7 Ų41.769%0.68824%0.236SC*.THydrogen-bonded Turntrans-64.8-18.9-176.8-20.333.4000114.1C228 Q230 V234C228-P232 WeakPolarHBondContact O-CA 3.45Å; Q230-P232 VanDerWaalsContact C-CD 3.48Å; P232-V234 VanDerWaalsContact C-N 3.32Å
233D88.6Confident90.4Very high112 Ų11240.5 Ų40.560%0.59924%0.235SC*.THydrogen-bonded Turntrans-73.9-20.2177.158-42.7000113.1H231 A235 K490H231-D233 PolarHBondContact O-N 3.12Å; H231-D233 VanDerWaalsContact O-N 3.17Å; D233-A235 PolarHBondContact O-N 3.09Å; D233-K490 IonicContact OD1-NZ 3.88Å; D233-K490 WeakPolarHBondContact OD2-CE 3.26Å; D233-K490 IonicContact OD2-NZ 3.93Å; D233-K490 PolarHBondContact OD2-NZ 3.31Å
234V88.1Confident90.5Very high16 Ų1639.1 Ų39.110%0.09723%0.226CC..  trans-93.199.1-175.5-178.60000110.6H231 P232 A236 Y237 A486 A489 K490H231-V234 HydrophobicContact CB-CB 4.34Å; H231-V234 HydrophobicContact CB-CG2 3.98Å; H231-V234 PolarHBondContact O-N 3.34Å; H231-V234 VanDerWaalsContact O-N 3.14Å; P232-V234 VanDerWaalsContact C-N 3.32Å; V234-A236 HydrophobicContact CG1-CB 4.14Å; V234-A236 PolarHBondContact O-N 2.69Å; V234-A236 VanDerWaalsContact O-N 3.12Å; V234-Y237 HydrophobicContact CB-CD2 3.69Å; V234-Y237 HydrophobicContact CB-CE2 4.01Å; V234-Y237 HydrophobicContact CG1-CD2 3.72Å; V234-Y237 HydrophobicContact CG1-CE2 3.89Å; V234-Y237 HydrophobicContact CG1-CG 4.45Å; V234-Y237 HydrophobicContact CG2-CD2 4.48Å; V234-Y237 HydrophobicContact CG2-CE2 4.37Å; V234-Y237 PolarHBondContact O-N 3.41Å; V234-A486 HydrophobicContact CG1-CB 4.04Å; V234-A489 HydrophobicContact CG1-CB 4.2Å; V234-A489 HydrophobicContact CG2-CB 4.15Å; V234-K490 HydrophobicContact CG2-CG 4.1Å
235A88.9Confident90.7Very high78 Ų7839.9 Ų39.965%0.64523%0.229SC*.Hα-helixtrans-57.3-28.8-178.600000114.2D233 Y237 K238 A239D233-A235 PolarHBondContact O-N 3.09Å; A235-Y237 PolarHBondContact O-N 3.27Å; A235-K238 PolarHBondContact O-N 3.1Å; A235-A239 PolarHBondContact O-N 3.28Å
236A87.5Confident90.8Very high21 Ų2146 Ų4617%0.17426%0.255CS..Hα-helixtrans-61.4-38.8179.600000112.9V234 A239 N240 L485 A486V234-A236 HydrophobicContact CG1-CB 4.14Å; V234-A236 PolarHBondContact O-N 2.69Å; V234-A236 VanDerWaalsContact O-N 3.12Å; A236-A239 PolarHBondContact O-N 3.01Å; A236-N240 WeakPolarHBondContact O-CB 3.49Å; A236-N240 PolarHBondContact O-N 2.91Å; A236-L485 HydrophobicContact CB-CB 4.28Å; A236-A486 HydrophobicContact CB-CB 3.93Å
237Y87.8Confident90.9Very high2 Ų246 Ų461%0.00825%0.254CS..Hα-helixtrans-64-43.4176-70.7-54000111.7A227 C228 H231 V234 A235 N240 R241 A486 A496A227-Y237 HydrophobicContact CB-CD1 3.43Å; A227-Y237 VanDerWaalsContact CB-CD1 3.43Å; A227-Y237 HydrophobicContact CB-CD2 4.23Å; A227-Y237 HydrophobicContact CB-CE1 3.5Å; A227-Y237 HydrophobicContact CB-CE2 4.34Å; A227-Y237 HydrophobicContact CB-CG 3.84Å; C228-Y237 PolarHBondContact SG-O 2.85Å; H231-Y237 HydrophobicContact CB-CD2 3.98Å; H231-Y237 HydrophobicContact CB-CE2 3.85Å; V234-Y237 HydrophobicContact CB-CD2 3.69Å; V234-Y237 HydrophobicContact CB-CE2 4.01Å; V234-Y237 HydrophobicContact CG1-CD2 3.72Å; V234-Y237 HydrophobicContact CG1-CE2 3.89Å; V234-Y237 HydrophobicContact CG1-CG 4.45Å; V234-Y237 HydrophobicContact CG2-CD2 4.48Å; V234-Y237 HydrophobicContact CG2-CE2 4.37Å; V234-Y237 PolarHBondContact O-N 3.41Å; A235-Y237 PolarHBondContact O-N 3.27Å; Y237-N240 PolarHBondContact O-N 2.97Å; Y237-R241 WeakPolarHBondContact O-CB 3.38Å; Y237-R241 PolarHBondContact O-N 2.99Å; Y237-A486 HydrophobicContact CD1-CB 3.46Å; Y237-A486 VanDerWaalsContact CD1-CB 3.46Å; Y237-A486 HydrophobicContact CD2-CB 4.03Å; Y237-A486 HydrophobicContact CE1-CB 3.12Å; Y237-A486 HydrophobicContact CE2-CB 3.7Å; Y237-A486 HydrophobicContact CG-CB 3.89Å; Y237-A486 VanDerWaalsContact OH-C 3.24Å; Y237-A486 PolarHBondContact OH-O 3.31Å; Y237-A496 WeakPolarHBondContact OH-CB 3.3Å
238K90.1Very high91.2Very high125 Ų12546 Ų4654%0.54325%0.254SS..Hα-helixtrans-63.1-45.8179.4-173.7175.9178.6179.90111.4A235 N240 R241 D242A235-K238 PolarHBondContact O-N 3.1Å; K238-N240 VanDerWaalsContact C-N 3.31Å; K238-N240 PolarHBondContact O-N 3.04Å; K238-R241 PolarHBondContact O-N 2.77Å; K238-D242 WeakPolarHBondContact O-CB 3.3Å; K238-D242 PolarHBondContact O-N 2.93Å
239A90.6Very high91.4Very high51 Ų5148.7 Ų48.742%0.42127%0.265SS..Hα-helixtrans-58.6-43.817500000111.5A235 A236 L243A235-A239 PolarHBondContact O-N 3.28Å; A236-A239 PolarHBondContact O-N 3.01Å; A239-L243 WeakPolarHBondContact O-CB 3.25Å; A239-L243 PolarHBondContact O-N 3.05Å
240N92Very high91.5Very high1 Ų152.2 Ų52.21%0.00528%0.28CS..Hα-helixtrans-64.3-48.3179-157.831.6000112.3A236 Y237 K238 D242 L243 I244 Q479 N482 F503A236-N240 WeakPolarHBondContact O-CB 3.49Å; A236-N240 PolarHBondContact O-N 2.91Å; Y237-N240 PolarHBondContact O-N 2.97Å; K238-N240 VanDerWaalsContact C-N 3.31Å; K238-N240 PolarHBondContact O-N 3.04Å; N240-D242 VanDerWaalsContact C-N 3.35Å; N240-D242 PolarHBondContact O-N 3.41Å; N240-L243 PolarHBondContact O-N 3.32Å; N240-I244 WeakPolarHBondContact O-CD1 3.25Å; N240-I244 VanDerWaalsContact O-CG1 3.28Å; N240-I244 WeakPolarHBondContact O-CG1 3.45Å; N240-I244 PolarHBondContact O-N 2.9Å; N240-Q479 WeakPolarHBondContact OD1-CA 3.38Å; N240-Q479 WeakPolarHBondContact OD1-CB 3.5Å; N240-Q479 WeakPolarHBondContact OD1-CG 3.26Å; N240-Q479 PolarHBondContact OD1-O 3.48Å; N240-N482 HydrophobicContact CB-CB 3.92Å; N240-F503 WeakPolarHBondContact ND2-CE2 3.29Å; N240-F503 WeakPolarHBondContact ND2-CZ 3.19Å
241R94.2Very high91.8Very high36 Ų3648.9 Ų48.914%0.13627%0.266CS..Hα-helixtrans-57.4-46.2177.1-176.9-167.965.7-176.8-2.9112.1R165 L221 A224 S225 Y237 K238 L243 I244 Y245R165-R241 PolarHBondContact O-NH1 3.13Å; L221-R241 HydrophobicContact CD1-CG 3.86Å; A224-R241 HydrophobicContact CB-CB 4.15Å; S225-R241 VanDerWaalsContact OG-CD 3.25Å; S225-R241 WeakPolarHBondContact OG-CD 3.46Å; S225-R241 WeakPolarHBondContact OG-CG 3.43Å; Y237-R241 WeakPolarHBondContact O-CB 3.38Å; Y237-R241 PolarHBondContact O-N 2.99Å; K238-R241 PolarHBondContact O-N 2.77Å; R241-L243 VanDerWaalsContact C-N 3.32Å; R241-L243 PolarHBondContact O-N 3.43Å; R241-I244 PolarHBondContact O-N 3.39Å; R241-Y245 WeakPolarHBondContact O-CB 3.46Å; R241-Y245 PolarHBondContact O-N 2.96Å
242D93.8Very high92.2Very high45 Ų4547.8 Ų47.824%0.24126%0.261CS..Hα-helixtrans-68-33.4-178.5-72.8-29.8000111.8R165 K238 N240 K246R165-D242 IonicContact CZ-OD1 2.82Å; R165-D242 VanDerWaalsContact CZ-OD1 3.31Å; R165-D242 IonicContact NE-OD1 2.66Å; R165-D242 PolarHBondContact NE-OD1 3.04Å; R165-D242 IonicContact NH2-OD1 2.64Å; R165-D242 PolarHBondContact NH2-OD1 3.26Å; R165-D242 IonicContact NH2-OD2 3.1Å; K238-D242 WeakPolarHBondContact O-CB 3.3Å; K238-D242 PolarHBondContact O-N 2.93Å; N240-D242 VanDerWaalsContact C-N 3.35Å; N240-D242 PolarHBondContact O-N 3.41Å; D242-K246 WeakPolarHBondContact O-CB 3.32Å; D242-K246 PolarHBondContact O-N 3.4Å
243L93.6Very high92.4Very high49 Ų4945.4 Ų45.426%0.25725%0.247SC..Hα-helixtrans-66.5-48.4173.9-165.8165.7000111.4A239 N240 R241 Y245 K246 Q247 P478 Q479A239-L243 WeakPolarHBondContact O-CB 3.25Å; A239-L243 PolarHBondContact O-N 3.05Å; N240-L243 PolarHBondContact O-N 3.32Å; R241-L243 VanDerWaalsContact C-N 3.32Å; R241-L243 PolarHBondContact O-N 3.43Å; L243-Y245 VanDerWaalsContact C-N 3.3Å; L243-Y245 PolarHBondContact O-N 3.48Å; L243-K246 PolarHBondContact O-N 3.31Å; L243-Q247 HydrophobicContact CD2-CG 4.15Å; L243-Q247 VanDerWaalsContact CD2-NE2 3.33Å; L243-Q247 PolarHBondContact O-N 2.91Å; L243-P478 HydrophobicContact CD1-CB 4.38Å; L243-P478 HydrophobicContact CD1-CG 4.14Å; L243-Q479 HydrophobicContact CD1-CG 4.11Å; L243-Q479 HydrophobicContact CD2-CG 3.55Å; L243-Q479 HydrophobicContact CG-CG 4.33Å
244I94.6Very high92.5Very high0 Ų041.1 Ų41.10%023%0.229CC..Hα-helixtrans-57.7-45.3175.8-61.8159.2000110.5N217 M220 L221 A224 N240 R241 K246 Q247 L248 F503N217-I244 HydrophobicContact CB-CG2 3.98Å; M220-I244 HydrophobicContact CB-CD1 4.33Å; M220-I244 HydrophobicContact CB-CG2 4.5Å; L221-I244 HydrophobicContact CB-CG2 3.85Å; L221-I244 HydrophobicContact CD1-CB 4.47Å; L221-I244 HydrophobicContact CD1-CG2 4.32Å; A224-I244 HydrophobicContact CB-CD1 3.57Å; N240-I244 WeakPolarHBondContact O-CD1 3.25Å; N240-I244 VanDerWaalsContact O-CG1 3.28Å; N240-I244 WeakPolarHBondContact O-CG1 3.45Å; N240-I244 PolarHBondContact O-N 2.9Å; R241-I244 PolarHBondContact O-N 3.39Å; I244-K246 PolarHBondContact O-N 2.92Å; I244-Q247 WeakPolarHBondContact O-CB 3.31Å; I244-Q247 PolarHBondContact O-N 3.25Å; I244-L248 HydrophobicContact CG2-CD1 3.89Å; I244-L248 WeakPolarHBondContact O-CG 3.19Å; I244-L248 PolarHBondContact O-N 3.25Å; I244-F503 HydrophobicContact CD1-CZ 3.86Å
245Y95.9Very high92.8Very high17 Ų1740.4 Ų40.47%0.06723%0.225CC..Hα-helixtrans-61.2-43.3178.3179.3-103.5000112L161 L162 R165 L221 R241 L243 Q247 L248 Q249L161-Y245 HydrophobicContact CB-CE2 4.11Å; L162-Y245 HydrophobicContact CB-CE2 4.38Å; L162-Y245 WeakPolarHBondContact CD1-OH 3.33Å; R165-Y245 HydrophobicContact CB-CD2 4.04Å; R165-Y245 HydrophobicContact CB-CE2 4.36Å; R165-Y245 HydrophobicContact CB-CG 4.47Å; R165-Y245 HydrophobicContact CG-CD2 4.49Å; R165-Y245 HydrophobicContact CG-CG 4.44Å; L221-Y245 HydrophobicContact CD2-CD2 4.4Å; R241-Y245 WeakPolarHBondContact O-CB 3.46Å; R241-Y245 PolarHBondContact O-N 2.96Å; L243-Y245 VanDerWaalsContact C-N 3.3Å; L243-Y245 PolarHBondContact O-N 3.48Å; Y245-Q247 VanDerWaalsContact C-N 3.32Å; Y245-Q247 PolarHBondContact O-N 2.89Å; Y245-L248 WeakPolarHBondContact O-CB 3.36Å; Y245-L248 PolarHBondContact O-N 2.78Å; Y245-L248 VanDerWaalsContact O-N 3.17Å; Y245-Q249 HydrophobicContact CD1-CG 4.27Å; Y245-Q249 HydrophobicContact CE1-CG 3.81Å; Y245-Q249 VanDerWaalsContact CE1-OE1 3.3Å; Y245-Q249 HydrophobicContact CE2-CG 4.34Å; Y245-Q249 WeakPolarHBondContact O-CG 3.5Å; Y245-Q249 PolarHBondContact O-N 3.47Å; Y245-Q249 PolarHBondContact OH-NE2 2.98Å; Y245-Q249 VanDerWaalsContact OH-NE2 3.12Å
246K94.9Very high93Very high131 Ų13137.9 Ų37.957%0.5720%0.202SC*.Hα-helixtrans-60.2-41175.6-172.4-179.8178.7-176.10111.9D242 L243 I244 Q249 Q250D242-K246 WeakPolarHBondContact O-CB 3.32Å; D242-K246 PolarHBondContact O-N 3.4Å; L243-K246 PolarHBondContact O-N 3.31Å; I244-K246 PolarHBondContact O-N 2.92Å; K246-Q249 PolarHBondContact O-N 2.89Å; K246-Q250 WeakPolarHBondContact O-CG 3.44Å; K246-Q250 PolarHBondContact O-N 3.29Å
247Q93.1Very high93.2Very high17 Ų1741 Ų418%0.07922%0.216CC..Hα-helixtrans-65-39.3175.1-71-178.9-5.800112.3N217 L243 I244 Y245 Q249 Q250 A251 A475 Q479N217-Q247 WeakPolarHBondContact ND2-CB 3.31Å; N217-Q247 PolarHBondContact ND2-OE1 3.23Å; L243-Q247 HydrophobicContact CD2-CG 4.15Å; L243-Q247 VanDerWaalsContact CD2-NE2 3.33Å; L243-Q247 PolarHBondContact O-N 2.91Å; I244-Q247 WeakPolarHBondContact O-CB 3.31Å; I244-Q247 PolarHBondContact O-N 3.25Å; Y245-Q247 VanDerWaalsContact C-N 3.32Å; Y245-Q247 PolarHBondContact O-N 2.89Å; Q247-Q249 VanDerWaalsContact C-N 3.35Å; Q247-Q250 PolarHBondContact O-N 3.3Å; Q247-A251 WeakPolarHBondContact O-CB 3.22Å; Q247-A251 PolarHBondContact O-N 3.42Å; Q247-A475 PolarHBondContact NE2-O 3.4Å; Q247-A475 VanDerWaalsContact NE2-O 3.09Å; Q247-Q479 VanDerWaalsContact CD-NE2 3.31Å
248L95.8Very high93.3Very high0 Ų041 Ų410%022%0.216CC..Hα-helixtrans-63.3-40.1175.1-75.5162.4000111.8L161 L214 N217 V218 L221 I244 Y245 A251 V252L161-L248 HydrophobicContact CD1-CB 4.17Å; L161-L248 HydrophobicContact CD2-CD1 3.94Å; L161-L248 HydrophobicContact CD2-CD2 4.44Å; L214-L248 HydrophobicContact CD1-CD2 3.8Å; N217-L248 HydrophobicContact CB-CD1 4.06Å; N217-L248 HydrophobicContact CB-CD2 3.57Å; N217-L248 HydrophobicContact CB-CG 3.65Å; V218-L248 HydrophobicContact CG2-CD2 3.88Å; L221-L248 HydrophobicContact CB-CD1 3.85Å; L221-L248 HydrophobicContact CD2-CD1 3.71Å; L221-L248 HydrophobicContact CG-CD1 4.26Å; I244-L248 HydrophobicContact CG2-CD1 3.89Å; I244-L248 WeakPolarHBondContact O-CG 3.19Å; I244-L248 PolarHBondContact O-N 3.25Å; Y245-L248 WeakPolarHBondContact O-CB 3.36Å; Y245-L248 PolarHBondContact O-N 2.78Å; Y245-L248 VanDerWaalsContact O-N 3.17Å; L248-A251 PolarHBondContact O-N 3.02Å; L248-V252 WeakPolarHBondContact O-CB 3.24Å; L248-V252 WeakPolarHBondContact O-CG2 3.35Å; L248-V252 PolarHBondContact O-N 3.15Å
249Q95.1Very high93.3Very high68 Ų6835 Ų3532%0.31819%0.19SC..Hα-helixtrans-64-39.8174-69-174.6-59.100112.4Y245 K246 Q247 S253Y245-Q249 HydrophobicContact CD1-CG 4.27Å; Y245-Q249 HydrophobicContact CE1-CG 3.81Å; Y245-Q249 VanDerWaalsContact CE1-OE1 3.3Å; Y245-Q249 HydrophobicContact CE2-CG 4.34Å; Y245-Q249 WeakPolarHBondContact O-CG 3.5Å; Y245-Q249 PolarHBondContact O-N 3.47Å; Y245-Q249 PolarHBondContact OH-NE2 2.98Å; Y245-Q249 VanDerWaalsContact OH-NE2 3.12Å; K246-Q249 PolarHBondContact O-N 2.89Å; Q247-Q249 VanDerWaalsContact C-N 3.35Å; Q249-S253 WeakPolarHBondContact O-CB 3.46Å; Q249-S253 PolarHBondContact O-N 3.3Å; Q249-S253 PolarHBondContact O-OG 2.92Å
250Q93Very high93Very high118 Ų11833 Ų3355%0.55117%0.172SC*.Hα-helixtrans-64.1-43.1174.1-72.5173.3-16.700111.6K246 Q247 S253 G254K246-Q250 WeakPolarHBondContact O-CG 3.44Å; K246-Q250 PolarHBondContact O-N 3.29Å; Q247-Q250 PolarHBondContact O-N 3.3Å; Q250-S253 PolarHBondContact O-N 3.48Å; Q250-G254 PolarHBondContact O-N 3.39Å
251A94.3Very high92.4Very high6 Ų633.7 Ų33.75%0.0518%0.178CC..Hα-helixtrans-62.5-45.6176.200000112V213 L214 Q247 L248 S253 G254 I255V213-A251 HydrophobicContact CB-CB 4.03Å; V213-A251 HydrophobicContact CG1-CB 3.83Å; L214-A251 HydrophobicContact CB-CB 4.33Å; Q247-A251 WeakPolarHBondContact O-CB 3.22Å; Q247-A251 PolarHBondContact O-N 3.42Å; L248-A251 PolarHBondContact O-N 3.02Å; A251-S253 VanDerWaalsContact C-N 3.32Å; A251-S253 PolarHBondContact O-N 2.9Å; A251-G254 PolarHBondContact O-N 2.84Å; A251-G254 VanDerWaalsContact O-N 3.17Å; A251-I255 WeakPolarHBondContact O-CG1 3.34Å; A251-I255 PolarHBondContact O-N 3.35Å
252V95.2Very high91Very high4 Ų434.4 Ų34.42%0.02419%0.186CC..Hα-helixtrans-57.7-46.2173.9163.80000111L154 E158 L161 L214 L248 G254 I255 S256L154-V252 HydrophobicContact CD1-CB 4.4Å; L154-V252 HydrophobicContact CD1-CG1 3.91Å; L154-V252 HydrophobicContact CD1-CG2 4.47Å; L154-V252 HydrophobicContact CD2-CG1 4.1Å; L154-V252 WeakPolarHBondContact CD2-O 3.47Å; L154-V252 HydrophobicContact CG-CG1 3.78Å; E158-V252 HydrophobicContact CB-CG1 4.21Å; E158-V252 HydrophobicContact CG-CG1 4.32Å; L161-V252 HydrophobicContact CD1-CG2 4.07Å; L214-V252 HydrophobicContact CD1-CG2 4.07Å; L248-V252 WeakPolarHBondContact O-CB 3.24Å; L248-V252 WeakPolarHBondContact O-CG2 3.35Å; L248-V252 PolarHBondContact O-N 3.15Å; V252-G254 VanDerWaalsContact C-N 3.34Å; V252-G254 PolarHBondContact O-N 3.29Å; V252-I255 PolarHBondContact O-N 3.31Å; V252-S256 PolarHBondContact O-N 3.37Å
253S93.1Very high89.2Confident57 Ų5735.7 Ų35.740%0.39920%0.198SC..Hα-helixtrans-63.5-38.6176.3-590000112.3Q249 Q250 A251 S256 N257Q249-S253 WeakPolarHBondContact O-CB 3.46Å; Q249-S253 PolarHBondContact O-N 3.3Å; Q249-S253 PolarHBondContact O-OG 2.92Å; Q250-S253 PolarHBondContact O-N 3.48Å; A251-S253 VanDerWaalsContact C-N 3.32Å; A251-S253 PolarHBondContact O-N 2.9Å; S253-S256 WeakPolarHBondContact O-CB 3.43Å; S253-S256 PolarHBondContact O-N 3.33Å; S253-N257 WeakPolarHBondContact O-CB 3.45Å; S253-N257 VanDerWaalsContact O-CG 3.28Å; S253-N257 PolarHBondContact O-N 2.97Å; S253-N257 PolarHBondContact O-ND2 3.44Å
254G91.7Very high87Confident22 Ų2237.1 Ų37.123%0.22721%0.21CC..Hα-helixtrans-61.9-46175.400000112.6Q250 A251 V252 S256 N257 A258Q250-G254 PolarHBondContact O-N 3.39Å; A251-G254 PolarHBondContact O-N 2.84Å; A251-G254 VanDerWaalsContact O-N 3.17Å; V252-G254 VanDerWaalsContact C-N 3.34Å; V252-G254 PolarHBondContact O-N 3.29Å; G254-S256 VanDerWaalsContact C-N 3.32Å; G254-S256 PolarHBondContact O-N 3.37Å; G254-N257 PolarHBondContact O-N 3.35Å; G254-A258 WeakPolarHBondContact O-CB 3.34Å; G254-A258 PolarHBondContact O-N 2.96Å
255I94.4Very high84.4Confident1 Ų146.3 Ų46.31%0.00525%0.253CS..Hα-helixtrans-59.3-44.5173.7-66.7169.8000110.2L154 A191 M207 A210 R211 L214 A251 V252 N257 A259L154-I255 HydrophobicContact CD1-CB 3.95Å; L154-I255 HydrophobicContact CD1-CD1 4.42Å; L154-I255 HydrophobicContact CD1-CG2 3.74Å; A191-I255 HydrophobicContact CB-CG2 4.2Å; M207-I255 HydrophobicContact CE-CG2 4.35Å; M207-I255 WeakPolarHBondContact CE-O 3.48Å; M207-I255 HydrophobicContact SD-CB 4.22Å; M207-I255 HydrophobicContact SD-CG1 4.17Å; M207-I255 HydrophobicContact SD-CG2 3.84Å; A210-I255 HydrophobicContact CB-CG1 3.72Å; R211-I255 HydrophobicContact CG-CD1 4.16Å; R211-I255 HydrophobicContact CG-CG1 4.29Å; L214-I255 HydrophobicContact CB-CD1 4.45Å; L214-I255 HydrophobicContact CD2-CD1 3.82Å; A251-I255 WeakPolarHBondContact O-CG1 3.34Å; A251-I255 PolarHBondContact O-N 3.35Å; V252-I255 PolarHBondContact O-N 3.31Å; I255-N257 PolarHBondContact O-N 2.98Å; I255-A259 WeakPolarHBondContact O-CB 3.42Å; I255-A259 PolarHBondContact O-N 3.46Å
256S93.3Very high81.5Confident25 Ų2550.3 Ų50.318%0.17528%0.275CS..Hα-helixtrans-58.9-47.9177.1-170.10000112.4L151 V252 S253 G254 Q260L151-S256 WeakPolarHBondContact CD2-OG 3.5Å; V252-S256 PolarHBondContact O-N 3.37Å; S253-S256 WeakPolarHBondContact O-CB 3.43Å; S253-S256 PolarHBondContact O-N 3.33Å; G254-S256 VanDerWaalsContact C-N 3.32Å; G254-S256 PolarHBondContact O-N 3.37Å; S256-Q260 WeakPolarHBondContact O-CB 3.26Å; S256-Q260 WeakPolarHBondContact O-CG 3.34Å; S256-Q260 PolarHBondContact O-N 2.67Å; S256-Q260 PolarHBondContact O-NE2 3.18Å; S256-Q260 PolarHBondContact OG-NE2 3.34Å; S256-Q260 VanDerWaalsContact OG-NE2 3.11Å
257N90Very high78.8Confident87 Ų8747.6 Ų47.647%0.46527%0.272SS..Hα-helixtrans-65.8-48-177.6-72.5-25000111.4S253 G254 I255 Q260 A261S253-N257 WeakPolarHBondContact O-CB 3.45Å; S253-N257 VanDerWaalsContact O-CG 3.28Å; S253-N257 PolarHBondContact O-N 2.97Å; S253-N257 PolarHBondContact O-ND2 3.44Å; G254-N257 PolarHBondContact O-N 3.35Å; I255-N257 PolarHBondContact O-N 2.98Å; N257-Q260 PolarHBondContact O-N 3.24Å; N257-A261 PolarHBondContact O-N 2.91Å; N257-A261 VanDerWaalsContact O-N 3.12Å
258A90.3Very high76.1Confident0 Ų051 Ų510%030%0.304CS..Hα-helixtrans-66.8-36.4179.100000112.3Q206 M207 G254 Q260 A261Q206-A258 HydrophobicContact CB-CB 4.29Å; M207-A258 HydrophobicContact CB-CB 4.02Å; M207-A258 HydrophobicContact CE-CB 3.82Å; G254-A258 WeakPolarHBondContact O-CB 3.34Å; G254-A258 PolarHBondContact O-N 2.96Å; A258-Q260 VanDerWaalsContact C-N 3.27Å; A258-Q260 PolarHBondContact O-N 3.04Å; A258-A261 WeakPolarHBondContact O-CB 3.29Å; A258-A261 PolarHBondContact O-N 2.96Å
259A89.8Confident73.1Confident0 Ų058.2 Ų58.20%034%0.341CS..Hα-helixtrans-62.3-36.9176.600000112.4L150 R194 M207 I255L150-A259 HydrophobicContact CD2-CB 3.61Å; R194-A259 HydrophobicContact CG-CB 4.38Å; R194-A259 PolarHBondContact NE-O 3.49Å; M207-A259 HydrophobicContact CE-CB 3.79Å; M207-A259 VanDerWaalsContact CE-N 3.3Å; I255-A259 WeakPolarHBondContact O-CB 3.42Å; I255-A259 PolarHBondContact O-N 3.46Å
260Q85.8Confident70.2Confident10 Ų1058 Ų585%0.04735%0.351CS..THydrogen-bonded Turntrans-94.23.3-176.5-64.9-174.778.100113.7N10 K12 W13 V147 L151 S256 N257 A258 T262N10-Q260 PolarHBondContact O-OE1 3.15Å; K12-Q260 VanDerWaalsContact N-OE1 3.08Å; W13-Q260 PolarHBondContact NE1-O 3.01Å; V147-Q260 HydrophobicContact CG1-CG 4.1Å; L151-Q260 HydrophobicContact CD1-CG 4.04Å; L151-Q260 HydrophobicContact CD2-CG 4.3Å; S256-Q260 WeakPolarHBondContact O-CB 3.26Å; S256-Q260 WeakPolarHBondContact O-CG 3.34Å; S256-Q260 PolarHBondContact O-N 2.67Å; S256-Q260 PolarHBondContact O-NE2 3.18Å; S256-Q260 PolarHBondContact OG-NE2 3.34Å; S256-Q260 VanDerWaalsContact OG-NE2 3.11Å; N257-Q260 PolarHBondContact O-N 3.24Å; A258-Q260 VanDerWaalsContact C-N 3.27Å; A258-Q260 PolarHBondContact O-N 3.04Å; Q260-T262 PolarHBondContact O-N 2.91Å
261A78.2Confident67.8Low15 Ų1561.5 Ų61.512%0.12437%0.367CS..  trans-56135.2-173.900000112.7H203 N257 A258H203-A261 HydrophobicContact CB-CB 4.12Å; H203-A261 VanDerWaalsContact CG-CB 3.46Å; N257-A261 PolarHBondContact O-N 2.91Å; N257-A261 VanDerWaalsContact O-N 3.12Å; A258-A261 WeakPolarHBondContact O-CB 3.29Å; A258-A261 PolarHBondContact O-N 2.96Å
262T65.8Low65.1Low50 Ų5064.5 Ų64.531%0.30739%0.386SS..  trans-100.6147.2174.7500000110Q260 T264Q260-T262 PolarHBondContact O-N 2.91Å; T262-T264 PolarHBondContact O-N 3.37Å; T262-T264 PolarHBondContact O-OG1 3.27Å
263S56Low62.8Low72 Ų7266.3 Ų66.350%0.50341%0.405SS..  trans-70.571.7168.720.60000109.8E19E19-S263 PolarHBondContact OE1-OG 3.46Å
264T46.6Very low61.1Low80 Ų8065 Ų6549%0.49140%0.402SS..  trans-78.2128.4171.314.90000109.5T262 D266T262-T264 PolarHBondContact O-N 3.37Å; T262-T264 PolarHBondContact O-OG1 3.27Å; T264-D266 PolarHBondContact O-N 3.09Å
265E41.2Very low59.8Low193 Ų19364.9 Ų64.990%0.90240%0.398SS*.G310 helixtrans-60.9-1.6174.3-63-177.4158.100113.7S267 A268E265-S267 PolarHBondContact O-N 3.04Å; E265-A268 PolarHBondContact O-N 3.45Å
266D33.5Very low59.1Low100 Ų10064.8 Ų64.854%0.53540%0.398SS..G310 helixtrans-68.3-4.9175.8-88.3-23.4000114.6T264 A268 L269 A270T264-D266 PolarHBondContact O-N 3.09Å; D266-A268 PolarHBondContact O-N 2.91Å; D266-L269 PolarHBondContact O-N 3.19Å; D266-A270 PolarHBondContact O-N 3.4Å
267S38.7Very low58.8Low74 Ų7470 Ų7052%0.51742%0.419SS..G310 helixtrans-58.6-15.5169.5-59.40000113.3E265E265-S267 PolarHBondContact O-N 3.04Å
268A35.6Very low58.8Low89 Ų8966.4 Ų66.474%0.73640%0.4SS*.G310 helixtrans-83.4-14.5173.700000114.2E265 D266E265-A268 PolarHBondContact O-N 3.45Å; D266-A268 PolarHBondContact O-N 2.91Å
269L33.1Very low58.6Low152 Ų15266.5 Ų66.580%0.79640%0.401SS*.THydrogen-bonded Turntrans-133.1-21.2-172.4-74.7171.3000115.5D266 Q271D266-L269 PolarHBondContact O-N 3.19Å; L269-Q271 PolarHBondContact O-N 2.9Å
270A34.7Very low58.3Low62 Ų6273.6 Ų73.651%0.51243%0.428SS..SBendtrans-79109163.500000107.1D266 P272D266-A270 PolarHBondContact O-N 3.4Å; A270-P272 WeakPolarHBondContact O-CD 3.42Å; A270-P272 WeakPolarHBondContact O-CG 3.33Å
271Q42.4Very low58.2Low192 Ų19274.1 Ų74.190%0.89744%0.435SS*.  trans-50.4103.8177.5-76.4-150.14.100110.3L269L269-Q271 PolarHBondContact O-N 2.9Å
272P38.2Very low58.6Low70 Ų7073.5 Ų73.546%0.45543%0.429SS..  trans-105.891.8-174.227.9-9.4000106.2A270 G274A270-P272 WeakPolarHBondContact O-CD 3.42Å; A270-P272 WeakPolarHBondContact O-CG 3.33Å; P272-G274 PolarHBondContact O-N 3.08Å
273G46.1Very low59.2Low41 Ų4173.4 Ų73.442%0.42343%0.427SS..SBendtrans31.255.3166.600000115.5
274G57.6Low60.3Low31 Ų3171.4 Ų71.432%0.3241%0.411SS..  trans-69.7178.6178.800000111.2P272P272-G274 PolarHBondContact O-N 3.08Å
275A64.8Low62.2Low18 Ų1867.6 Ų67.615%0.14939%0.387CS..SBendtrans-42.1156.2168.400000112E277 E460A275-E277 PolarHBondContact O-N 3.08Å; A275-E460 HydrophobicContact CB-CG 3.98Å; A275-E460 PolarHBondContact N-OE1 3Å
276G80.3Confident64Low0 Ų059.9 Ų59.90%035%0.352CS..  trans-45132.5-179.100000113.1L278 A279 Y280 C454 S455 S457G276-L278 VanDerWaalsContact C-N 3.26Å; G276-L278 PolarHBondContact O-N 3.5Å; G276-A279 CarbonylContact O-C 3.49Å; G276-A279 WeakPolarHBondContact O-CA 3.43Å; G276-A279 WeakPolarHBondContact O-CB 3.31Å; G276-A279 PolarHBondContact O-N 3.47Å; G276-Y280 WeakPolarHBondContact O-CB 3.14Å; G276-Y280 PolarHBondContact O-N 3.4Å; G276-C454 WeakPolarHBondContact CA-O 3.33Å; G276-S455 CarbonylContact C-O 3.17Å; G276-S455 VanDerWaalsContact CA-O 3.24Å; G276-S455 WeakPolarHBondContact CA-O 3.31Å; G276-S457 WeakPolarHBondContact CA-O 3.49Å; G276-S457 PolarHBondContact N-O 2.65Å
277E86.6Confident66Low134 Ų13462.6 Ų62.663%0.62636%0.359SS*.Hα-helixtrans-56.6-41.1-172.5-70.2160.9-143.700112.2A275 A281 S455 R467A275-E277 PolarHBondContact O-N 3.08Å; E277-A281 WeakPolarHBondContact O-CB 3.26Å; E277-A281 PolarHBondContact O-N 3.32Å; E277-S455 PolarHBondContact N-O 3.3Å; E277-R467 IonicContact OE1-NH2 3.91Å; E277-R467 PolarHBondContact OE1-NH2 3.15Å; E277-R467 VanDerWaalsContact OE1-NH2 3.15Å
278L90.1Very high67.7Low11 Ų1161.5 Ų61.56%0.05835%0.346CS..Hα-helixtrans-73.9-38177.1-17556.1000111.6G276 A281 L282 I312 L398 S455 I456G276-L278 VanDerWaalsContact C-N 3.26Å; G276-L278 PolarHBondContact O-N 3.5Å; L278-A281 PolarHBondContact O-N 3.33Å; L278-L282 HydrophobicContact CD1-CD1 4.39Å; L278-L282 HydrophobicContact CD1-CG 4.45Å; L278-L282 HydrophobicContact CG-CD1 4.13Å; L278-L282 WeakPolarHBondContact O-CB 3.4Å; L278-L282 WeakPolarHBondContact O-CD1 3.48Å; L278-L282 WeakPolarHBondContact O-CG 3.43Å; L278-L282 PolarHBondContact O-N 2.89Å; L278-I312 HydrophobicContact CD1-CB 4.34Å; L278-I312 HydrophobicContact CD1-CG2 4.03Å; L278-I312 WeakPolarHBondContact CD1-O 3.24Å; L278-L398 HydrophobicContact CD2-CD1 3.82Å; L278-L398 HydrophobicContact CG-CD1 4.37Å; L278-S455 WeakPolarHBondContact CA-O 3.36Å; L278-S455 WeakPolarHBondContact CB-O 3.03Å; L278-S455 PolarHBondContact N-O 3.3Å; L278-I456 HydrophobicContact CD2-CG2 4.02Å; L278-I456 HydrophobicContact CG-CG2 4.49Å
279A85.6Confident69.7Low2 Ų257.3 Ų57.32%0.01731%0.311CS..Hα-helixtrans-59.8-47.2173.600000111.5G276 L282 N283 S455 I456 N458G276-A279 CarbonylContact O-C 3.49Å; G276-A279 WeakPolarHBondContact O-CA 3.43Å; G276-A279 WeakPolarHBondContact O-CB 3.31Å; G276-A279 PolarHBondContact O-N 3.47Å; A279-L282 PolarHBondContact O-N 3.38Å; A279-N283 WeakPolarHBondContact O-CB 3.42Å; A279-N283 PolarHBondContact O-N 3.36Å; A279-N283 PolarHBondContact O-ND2 2.98Å; A279-S455 PolarHBondContact N-O 3.43Å; A279-I456 WeakPolarHBondContact CB-O 3.35Å; A279-N458 WeakPolarHBondContact CB-OD1 3.16Å
280Y82.5Confident71.5Confident149 Ų14953 Ų5358%0.58429%0.288SS*.Hα-helixtrans-61.5-47175.4178-96.3000111.3G276 L282 N283 N284G276-Y280 WeakPolarHBondContact O-CB 3.14Å; G276-Y280 PolarHBondContact O-N 3.4Å; Y280-L282 PolarHBondContact O-N 3.32Å; Y280-N283 PolarHBondContact O-N 3.02Å; Y280-N284 HydrophobicContact CE1-CB 4.46Å; Y280-N284 WeakPolarHBondContact O-CB 3.31Å; Y280-N284 PolarHBondContact O-N 3.37Å
281A85.4Confident73.1Confident22 Ų2251.4 Ų51.418%0.18227%0.271CS..Hα-helixtrans-58.3-48.9178.100000111.8E277 L278 N284 F285 I312E277-A281 WeakPolarHBondContact O-CB 3.26Å; E277-A281 PolarHBondContact O-N 3.32Å; L278-A281 PolarHBondContact O-N 3.33Å; A281-N284 PolarHBondContact O-N 3.05Å; A281-F285 VanDerWaalsContact O-CB 3.26Å; A281-F285 WeakPolarHBondContact O-CB 3.36Å; A281-F285 PolarHBondContact O-N 3.21Å; A281-I312 HydrophobicContact CB-CG1 3.81Å
282L85.9Confident73.8Confident2 Ų244.5 Ų44.51%0.0124%0.24CC..Hα-helixtrans-59.9-48.3176.5-76.8162.6000112L278 A279 Y280 N284 F285 D286 I312 R395 L398L278-L282 HydrophobicContact CD1-CD1 4.39Å; L278-L282 HydrophobicContact CD1-CG 4.45Å; L278-L282 HydrophobicContact CG-CD1 4.13Å; L278-L282 WeakPolarHBondContact O-CB 3.4Å; L278-L282 WeakPolarHBondContact O-CD1 3.48Å; L278-L282 WeakPolarHBondContact O-CG 3.43Å; L278-L282 PolarHBondContact O-N 2.89Å; A279-L282 PolarHBondContact O-N 3.38Å; Y280-L282 PolarHBondContact O-N 3.32Å; L282-N284 PolarHBondContact O-N 2.84Å; L282-F285 PolarHBondContact O-N 3.27Å; L282-D286 PolarHBondContact O-N 2.97Å; L282-I312 HydrophobicContact CD2-CD1 4.16Å; L282-I312 HydrophobicContact CD2-CG1 4.44Å; L282-I312 HydrophobicContact CD2-CG2 3.54Å; L282-I312 HydrophobicContact CG-CD1 4.43Å; L282-I312 HydrophobicContact CG-CG1 4.41Å; L282-I312 HydrophobicContact CG-CG2 4Å; L282-R395 HydrophobicContact CD1-CB 4.2Å; L282-R395 HydrophobicContact CD1-CG 4.14Å; L282-L398 HydrophobicContact CD1-CD1 4.01Å
283N79.1Confident74.7Confident47 Ų4742.1 Ų42.125%0.25123%0.225SC..Hα-helixtrans-65.1-39.3179.9-69.9-20.3000112.6A279 Y280 K287 R395 N458A279-N283 WeakPolarHBondContact O-CB 3.42Å; A279-N283 PolarHBondContact O-N 3.36Å; A279-N283 PolarHBondContact O-ND2 2.98Å; Y280-N283 PolarHBondContact O-N 3.02Å; N283-K287 VanDerWaalsContact O-CG 3.32Å; N283-K287 WeakPolarHBondContact O-CG 3.47Å; N283-K287 PolarHBondContact O-N 2.88Å; N283-R395 PolarHBondContact OD1-NH2 3.28Å; N283-N458 PolarHBondContact ND2-OD1 2.96Å
284N79.1Confident75.1Confident31 Ų3144.9 Ų44.917%0.16623%0.233CC..Hα-helixtrans-70-37.5177.4178.157.7000110.9Y280 A281 L282 K287 Q288 R308Y280-N284 HydrophobicContact CE1-CB 4.46Å; Y280-N284 WeakPolarHBondContact O-CB 3.31Å; Y280-N284 PolarHBondContact O-N 3.37Å; A281-N284 PolarHBondContact O-N 3.05Å; L282-N284 PolarHBondContact O-N 2.84Å; N284-K287 PolarHBondContact O-N 2.99Å; N284-Q288 VanDerWaalsContact CG-NE2 3.33Å; N284-Q288 PolarHBondContact ND2-NE2 3.45Å; N284-Q288 VanDerWaalsContact O-CG 3.28Å; N284-Q288 WeakPolarHBondContact O-CG 3.29Å; N284-Q288 PolarHBondContact O-N 3.07Å; N284-Q288 PolarHBondContact OD1-NE2 3.49Å; N284-R308 PolarHBondContact ND2-NH1 2.8Å
285F85.1Confident74.9Confident0 Ų045.4 Ų45.40%024%0.238CC..Hα-helixtrans-62.9-46.9174.2-175.7-91.4000112A281 L282 K287 Q288 I289 L305 R308 L309 I312 L344 M387 T391A281-F285 VanDerWaalsContact O-CB 3.26Å; A281-F285 WeakPolarHBondContact O-CB 3.36Å; A281-F285 PolarHBondContact O-N 3.21Å; L282-F285 PolarHBondContact O-N 3.27Å; F285-K287 PolarHBondContact O-N 3.31Å; F285-Q288 PolarHBondContact O-N 2.84Å; F285-I289 HydrophobicContact CD1-CG2 3.89Å; F285-I289 HydrophobicContact CE1-CG2 3.42Å; F285-I289 VanDerWaalsContact CE1-CG2 3.42Å; F285-I289 HydrophobicContact CE2-CG2 4.25Å; F285-I289 HydrophobicContact CG-CG2 4.48Å; F285-I289 HydrophobicContact CZ-CG2 3.63Å; F285-I289 PolarHBondContact O-N 3.34Å; F285-I289 VanDerWaalsContact O-N 3.08Å; F285-L305 HydrophobicContact CE2-CD2 4.24Å; F285-L305 WeakPolarHBondContact CE2-O 3.43Å; F285-R308 HydrophobicContact CD2-CB 3.89Å; F285-R308 HydrophobicContact CE2-CB 4.4Å; F285-L309 HydrophobicContact CE1-CD1 4.45Å; F285-L309 HydrophobicContact CE2-CB 3.87Å; F285-L309 HydrophobicContact CZ-CB 4.13Å; F285-L309 HydrophobicContact CZ-CD1 4.17Å; F285-I312 HydrophobicContact CB-CD1 3.55Å; F285-I312 HydrophobicContact CD1-CD1 4.33Å; F285-I312 HydrophobicContact CD2-CD1 4.13Å; F285-I312 HydrophobicContact CG-CD1 3.75Å; F285-L344 HydrophobicContact CZ-CD1 4.31Å; F285-L344 HydrophobicContact CZ-CD2 4.49Å; F285-M387 HydrophobicContact CE1-CE 3.39Å; F285-M387 HydrophobicContact CZ-CE 3.63Å; F285-T391 HydrophobicContact CD1-CG2 3.79Å; F285-T391 HydrophobicContact CE1-CG2 3.77Å
286D79.4Confident74.9Confident31 Ų3145.1 Ų45.117%0.16623%0.234CC..Hα-helixtrans-56.4-33.9175.6-73.5-21.5000112.6L282 I289 T391 R395L282-D286 PolarHBondContact O-N 2.97Å; D286-I289 VanDerWaalsContact O-CG1 3.28Å; D286-I289 WeakPolarHBondContact O-CG1 3.38Å; D286-T391 WeakPolarHBondContact OD1-CB 3.47Å; D286-T391 PolarHBondContact OD1-OG1 3.15Å; D286-R395 IonicContact OD2-CZ 3.67Å; D286-R395 IonicContact OD2-NH1 3Å; D286-R395 PolarHBondContact OD2-NH1 3.46Å; D286-R395 IonicContact OD2-NH2 3.41Å; D286-R395 PolarHBondContact OD2-NH2 2.89Å
287K74.9Confident74.2Confident157 Ų15748.6 Ų48.668%0.68326%0.255SS*.Hα-helixtrans-72.6-29.8175.2-68.6167.8-171.2172.40112.8N283 N284 F285N283-K287 VanDerWaalsContact O-CG 3.32Å; N283-K287 WeakPolarHBondContact O-CG 3.47Å; N283-K287 PolarHBondContact O-N 2.88Å; N284-K287 PolarHBondContact O-N 2.99Å; F285-K287 PolarHBondContact O-N 3.31Å
288Q75.1Confident73.3Confident51 Ų5146.6 Ų46.624%0.23825%0.246CC..Hα-helixtrans-92.7-18.2-171.7-70.8-172.627.600114.1N284 F285 I290 L291 L305 R308N284-Q288 VanDerWaalsContact CG-NE2 3.33Å; N284-Q288 PolarHBondContact ND2-NE2 3.45Å; N284-Q288 VanDerWaalsContact O-CG 3.28Å; N284-Q288 WeakPolarHBondContact O-CG 3.29Å; N284-Q288 PolarHBondContact O-N 3.07Å; N284-Q288 PolarHBondContact OD1-NE2 3.49Å; F285-Q288 PolarHBondContact O-N 2.84Å; Q288-I290 VanDerWaalsContact C-N 3.25Å; Q288-I290 PolarHBondContact O-N 3.05Å; Q288-L291 WeakPolarHBondContact O-CD2 3.33Å; Q288-L291 WeakPolarHBondContact O-CG 3.41Å; Q288-L305 HydrophobicContact CB-CD2 4.32Å; Q288-R308 VanDerWaalsContact OE1-CD 3.26Å; Q288-R308 VanDerWaalsContact OE1-CZ 3.31Å
289I78.1Confident72.4Confident0 Ų055.1 Ų55.10%029%0.285CS..SBendtrans-71.3-18.9176.356.6170.8000113.4F285 D286 L291 L305 L347 Y351 M387F285-I289 HydrophobicContact CD1-CG2 3.89Å; F285-I289 HydrophobicContact CE1-CG2 3.42Å; F285-I289 VanDerWaalsContact CE1-CG2 3.42Å; F285-I289 HydrophobicContact CE2-CG2 4.25Å; F285-I289 HydrophobicContact CG-CG2 4.48Å; F285-I289 HydrophobicContact CZ-CG2 3.63Å; F285-I289 PolarHBondContact O-N 3.34Å; F285-I289 VanDerWaalsContact O-N 3.08Å; D286-I289 VanDerWaalsContact O-CG1 3.28Å; D286-I289 WeakPolarHBondContact O-CG1 3.38Å; I289-L291 PolarHBondContact O-N 2.99Å; I289-L305 HydrophobicContact CG2-CD2 4.27Å; I289-L347 HydrophobicContact CB-CD2 4.17Å; I289-L347 HydrophobicContact CG2-CD2 4.46Å; I289-Y351 PolarHBondContact O-OH 2.99Å; I289-M387 HydrophobicContact CD1-CB 4.2Å; I289-M387 HydrophobicContact CD1-CG 3.89Å; I289-M387 HydrophobicContact CG2-CG 4.33Å
290I71.2Confident71.7Confident62 Ų6263.7 Ų63.732%0.31832%0.317SS..  trans-92.888.1177.3-50.3-178.1000109.5Q288 I384 L800Q288-I290 VanDerWaalsContact C-N 3.25Å; Q288-I290 PolarHBondContact O-N 3.05Å; I290-I384 HydrophobicContact CD1-CG2 4.47Å; I290-I384 HydrophobicContact CG1-CG2 3.98Å; I290-L800 HydrophobicContact CD1-CD1 4.43Å
291L67.3Low71.2Confident28 Ų2858.8 Ų58.815%0.14730%0.299CS..  trans-100.8160.4-179.5-60.7171.1000111.8Q288 I289 P293 F296 F301 L305 Y351Q288-L291 WeakPolarHBondContact O-CD2 3.33Å; Q288-L291 WeakPolarHBondContact O-CG 3.41Å; I289-L291 PolarHBondContact O-N 2.99Å; L291-P293 WeakPolarHBondContact O-CD 3.47Å; L291-F296 HydrophobicContact CD1-CD2 3.92Å; L291-F296 HydrophobicContact CD1-CE2 4.44Å; L291-F301 HydrophobicContact CD1-CB 4.04Å; L291-F301 HydrophobicContact CD1-CD1 3.42Å; L291-F301 VanDerWaalsContact CD1-CD1 3.42Å; L291-F301 HydrophobicContact CD1-CE1 4.02Å; L291-F301 HydrophobicContact CD1-CG 3.82Å; L291-F301 HydrophobicContact CD2-CD1 3.83Å; L291-F301 HydrophobicContact CD2-CE1 3.62Å; L291-F301 HydrophobicContact CG-CD1 4.28Å; L291-F301 HydrophobicContact CG-CE1 4.44Å; L291-L305 HydrophobicContact CD1-CD1 4.28Å; L291-Y351 HydrophobicContact CB-CE1 4.19Å; L291-Y351 PolarHBondContact N-OH 3.27Å
292D57.7Low71.1Confident48 Ų4860.5 Ų60.526%0.25730%0.301SS..  trans-72.3119.1166.3-168.6-25.6000108.8V294 G295 F296D292-V294 PolarHBondContact O-N 3.48Å; D292-V294 PolarHBondContact OD1-N 3.39Å; D292-G295 PolarHBondContact O-N 3.04Å; D292-F296 PolarHBondContact O-N 3.12Å
293P57.7Low70.9Confident20 Ų2063.7 Ų63.713%0.1332%0.321CS..THydrogen-bonded Turntrans-56.5-26.8-180-22.832000113.5L291 K376 L380L291-P293 WeakPolarHBondContact O-CD 3.47Å; P293-K376 HydrophobicContact CG-CG 3.78Å; P293-L380 HydrophobicContact CB-CD2 4.37Å; P293-L380 HydrophobicContact CG-CD2 3.88Å
294V52.7Low71.1Confident98 Ų9863.1 Ų63.159%0.59432%0.321SS*.THydrogen-bonded Turntrans-80.4-25.3-178.9-175.40000112.1D292D292-V294 PolarHBondContact O-N 3.48Å; D292-V294 PolarHBondContact OD1-N 3.39Å
295G55.3Low71.5Confident42 Ų4261.8 Ų61.843%0.43331%0.314SS..THydrogen-bonded Turntrans-95.3-5.5179.500000114.4D292 T297 F301D292-G295 PolarHBondContact O-N 3.04Å; G295-T297 PolarHBondContact O-N 3.13Å; G295-F301 VanDerWaalsContact O-CE2 3.23Å; G295-F301 WeakPolarHBondContact O-CE2 2.94Å
296F64.4Low71.8Confident13 Ų1364.6 Ų64.66%0.05733%0.327CS..  trans-69.8120.2179.3179.5-91.5000111.3L291 D292 E298 F301 L348 Y351L291-F296 HydrophobicContact CD1-CD2 3.92Å; L291-F296 HydrophobicContact CD1-CE2 4.44Å; D292-F296 PolarHBondContact O-N 3.12Å; F296-E298 HydrophobicContact CE1-CB 4.37Å; F296-F301 HydrophobicContact CD2-CB 3.77Å; F296-F301 HydrophobicContact CD2-CD2 4.23Å; F296-F301 HydrophobicContact CD2-CG 4.13Å; F296-F301 HydrophobicContact CE2-CB 3.59Å; F296-F301 HydrophobicContact CE2-CG 4.44Å; F296-L348 HydrophobicContact CE2-CD2 4.32Å; F296-L348 HydrophobicContact CZ-CD2 4.23Å; F296-Y351 HydrophobicContact CB-CD1 4.3Å; F296-Y351 HydrophobicContact CD2-CD1 4.16Å; F296-Y351 HydrophobicContact CD2-CG 4.13Å; F296-Y351 HydrophobicContact CE2-CG 4.24Å; F296-Y351 HydrophobicContact CG-CD1 4.14Å; F296-Y351 HydrophobicContact CG-CG 4.34Å
297T64.8Low72.3Confident72 Ų7270.1 Ų70.144%0.44235%0.352SS..  trans-120.4121.3169.654.30000109.4G295 E299 R300 F301G295-T297 PolarHBondContact O-N 3.13Å; T297-E299 VanDerWaalsContact C-N 3.3Å; T297-E299 PolarHBondContact O-N 2.97Å; T297-R300 PolarHBondContact O-N 3.37Å; T297-R300 WeakPolarHBondContact OG1-CB 3.36Å; T297-F301 WeakPolarHBondContact O-CD2 3.49Å; T297-F301 PolarHBondContact O-N 2.91Å
298E67.6Low72.9Confident93 Ų9367.1 Ų67.144%0.43534%0.336SS..Hα-helixtrans-52.7-47.3-176.3-173.6176.6-172.500112.1F296 R300 F301 R302 P303F296-E298 HydrophobicContact CE1-CB 4.37Å; E298-R300 PolarHBondContact O-N 3.33Å; E298-F301 PolarHBondContact O-N 3.29Å; E298-R302 HydrophobicContact CG-CB 4.15Å; E298-R302 VanDerWaalsContact O-CB 3.32Å; E298-R302 WeakPolarHBondContact O-CB 3.47Å; E298-R302 PolarHBondContact O-N 3.08Å; E298-R302 VanDerWaalsContact O-N 3.13Å; E298-R302 IonicContact OE1-CZ 3.36Å; E298-R302 IonicContact OE1-NH1 2.67Å; E298-R302 PolarHBondContact OE1-NH1 3Å; E298-P303 WeakPolarHBondContact O-CD 3.48Å
299E71.3Confident73.8Confident189 Ų18964.9 Ų64.988%0.88333%0.326SS*.Hα-helixtrans-55.1-25.4-179.8-65178.7178.800114.3T297T297-E299 VanDerWaalsContact C-N 3.3Å; T297-E299 PolarHBondContact O-N 2.97Å
300R72Confident74.6Confident183 Ų18368.7 Ų68.769%0.69134%0.344SS*.Hα-helixtrans-103.9-45.8-176.8-170.6-178.3177.6-170.5-1.1113.1T297 E298T297-R300 PolarHBondContact O-N 3.37Å; T297-R300 WeakPolarHBondContact OG1-CB 3.36Å; E298-R300 PolarHBondContact O-N 3.33Å
301F71.5Confident75.7Confident46 Ų4669.3 Ų69.320%0.20235%0.354CS..Hα-helixtrans-90.1-31.8-168.8-70.3-82.7000112.9L291 G295 F296 T297 E298 L305L291-F301 HydrophobicContact CD1-CB 4.04Å; L291-F301 HydrophobicContact CD1-CD1 3.42Å; L291-F301 VanDerWaalsContact CD1-CD1 3.42Å; L291-F301 HydrophobicContact CD1-CE1 4.02Å; L291-F301 HydrophobicContact CD1-CG 3.82Å; L291-F301 HydrophobicContact CD2-CD1 3.83Å; L291-F301 HydrophobicContact CD2-CE1 3.62Å; L291-F301 HydrophobicContact CG-CD1 4.28Å; L291-F301 HydrophobicContact CG-CE1 4.44Å; G295-F301 VanDerWaalsContact O-CE2 3.23Å; G295-F301 WeakPolarHBondContact O-CE2 2.94Å; F296-F301 HydrophobicContact CD2-CB 3.77Å; F296-F301 HydrophobicContact CD2-CD2 4.23Å; F296-F301 HydrophobicContact CD2-CG 4.13Å; F296-F301 HydrophobicContact CE2-CB 3.59Å; F296-F301 HydrophobicContact CE2-CG 4.44Å; T297-F301 WeakPolarHBondContact O-CD2 3.49Å; T297-F301 PolarHBondContact O-N 2.91Å; E298-F301 PolarHBondContact O-N 3.29Å; F301-L305 WeakPolarHBondContact O-CB 3.42Å; F301-L305 VanDerWaalsContact O-CG 3.31Å; F301-L305 WeakPolarHBondContact O-CG 3.35Å; F301-L305 PolarHBondContact O-N 3.21Å
302R82.6Confident76.9Confident58 Ų5868 Ų6822%0.21935%0.347CS..Hα-helixtrans-66.1-53.5-179.9175.6176-163155.89.7112E298 S304 L305 E306 L348E298-R302 HydrophobicContact CG-CB 4.15Å; E298-R302 VanDerWaalsContact O-CB 3.32Å; E298-R302 WeakPolarHBondContact O-CB 3.47Å; E298-R302 PolarHBondContact O-N 3.08Å; E298-R302 VanDerWaalsContact O-N 3.13Å; E298-R302 IonicContact OE1-CZ 3.36Å; E298-R302 IonicContact OE1-NH1 2.67Å; E298-R302 PolarHBondContact OE1-NH1 3Å; R302-S304 VanDerWaalsContact C-N 3.26Å; R302-S304 PolarHBondContact O-N 3.3Å; R302-L305 PolarHBondContact O-N 3.03Å; R302-E306 HydrophobicContact CG-CG 4.39Å; R302-E306 IonicContact CZ-OE1 3.97Å; R302-E306 IonicContact NE-OE1 3.61Å; R302-E306 PolarHBondContact NE-OE1 2.99Å; R302-E306 VanDerWaalsContact NE-OE1 3.11Å; R302-E306 IonicContact NH2-OE1 2.67Å; R302-E306 WeakPolarHBondContact O-CB 3.42Å; R302-E306 WeakPolarHBondContact O-CG 3.34Å; R302-E306 PolarHBondContact O-N 3.31Å; R302-L348 HydrophobicContact CB-CD2 4.22Å; R302-L348 HydrophobicContact CG-CD1 4.01Å; R302-L348 HydrophobicContact CG-CD2 4.36Å
303P82.9Confident78.8Confident68 Ų6866.3 Ų66.344%0.44234%0.338SS..Hα-helixtrans-58.2-39.9176.8-23.433.3000112.3E298 E307E298-P303 WeakPolarHBondContact O-CD 3.48Å; P303-E307 WeakPolarHBondContact O-CB 3.15Å; P303-E307 PolarHBondContact O-N 3.01Å
304S82.4Confident80.5Confident35 Ų3568.7 Ų68.725%0.24536%0.355CS..Hα-helixtrans-68.1-37.9-179.4-179.30000113.6R302 R308R302-S304 VanDerWaalsContact C-N 3.26Å; R302-S304 PolarHBondContact O-N 3.3Å; S304-R308 WeakPolarHBondContact O-CB 3.45Å; S304-R308 WeakPolarHBondContact O-CD 3.31Å; S304-R308 WeakPolarHBondContact O-CG 3.31Å; S304-R308 PolarHBondContact O-N 3.5Å; S304-R308 PolarHBondContact OG-NE 2.81Å
305L86.7Confident82.4Confident3 Ų365 Ų652%0.01634%0.337CS..Hα-helixtrans-74.8-40178.1-71.5174.5000111F285 Q288 I289 L291 F301 R302 R308 L309 L344 L348F285-L305 HydrophobicContact CE2-CD2 4.24Å; F285-L305 WeakPolarHBondContact CE2-O 3.43Å; Q288-L305 HydrophobicContact CB-CD2 4.32Å; I289-L305 HydrophobicContact CG2-CD2 4.27Å; L291-L305 HydrophobicContact CD1-CD1 4.28Å; F301-L305 WeakPolarHBondContact O-CB 3.42Å; F301-L305 VanDerWaalsContact O-CG 3.31Å; F301-L305 WeakPolarHBondContact O-CG 3.35Å; F301-L305 PolarHBondContact O-N 3.21Å; R302-L305 PolarHBondContact O-N 3.03Å; L305-R308 PolarHBondContact O-N 3.09Å; L305-L309 WeakPolarHBondContact O-CB 3.25Å; L305-L309 PolarHBondContact O-N 2.8Å; L305-L344 HydrophobicContact CB-CD1 4.25Å; L305-L344 HydrophobicContact CB-CD2 4.46Å; L305-L344 HydrophobicContact CD1-CD1 4.48Å; L305-L348 HydrophobicContact CD1-CD2 4.29Å
306E91.4Very high84.3Confident59 Ų5963 Ų6328%0.27632%0.316SS..Hα-helixtrans-63.2-47.4176.1-71.3172.116200111.2R302 R308 L309 E310 L344 Q345 L348R302-E306 HydrophobicContact CG-CG 4.39Å; R302-E306 IonicContact CZ-OE1 3.97Å; R302-E306 IonicContact NE-OE1 3.61Å; R302-E306 PolarHBondContact NE-OE1 2.99Å; R302-E306 VanDerWaalsContact NE-OE1 3.11Å; R302-E306 IonicContact NH2-OE1 2.67Å; R302-E306 WeakPolarHBondContact O-CB 3.42Å; R302-E306 WeakPolarHBondContact O-CG 3.34Å; R302-E306 PolarHBondContact O-N 3.31Å; E306-R308 VanDerWaalsContact C-N 3.35Å; E306-R308 PolarHBondContact O-N 3.39Å; E306-L309 PolarHBondContact O-N 3.14Å; E306-E310 WeakPolarHBondContact O-CG 3.4Å; E306-E310 PolarHBondContact O-N 2.99Å; E306-L344 HydrophobicContact CG-CD2 4.23Å; E306-Q345 PolarHBondContact OE1-NE2 3.49Å; E306-L348 HydrophobicContact CG-CD1 4.28Å
307E89.9Confident85.7Confident147 Ų14764.1 Ų64.169%0.68733%0.328SS*.Hα-helixtrans-59.4-43.1177-176.2-176.1-175.200112.3P303 E310 S311P303-E307 WeakPolarHBondContact O-CB 3.15Å; P303-E307 PolarHBondContact O-N 3.01Å; E307-E310 PolarHBondContact O-N 3.06Å; E307-S311 PolarHBondContact O-N 3.46Å
308R87.8Confident87Confident94 Ų9466.9 Ų66.936%0.35534%0.339SS..Hα-helixtrans-67.7-39.5178.1-72.9172.7-171.5-71.31.5112.4N284 F285 Q288 S304 L305 E306 S311 I312N284-R308 PolarHBondContact ND2-NH1 2.8Å; F285-R308 HydrophobicContact CD2-CB 3.89Å; F285-R308 HydrophobicContact CE2-CB 4.4Å; Q288-R308 VanDerWaalsContact OE1-CD 3.26Å; Q288-R308 VanDerWaalsContact OE1-CZ 3.31Å; S304-R308 WeakPolarHBondContact O-CB 3.45Å; S304-R308 WeakPolarHBondContact O-CD 3.31Å; S304-R308 WeakPolarHBondContact O-CG 3.31Å; S304-R308 PolarHBondContact O-N 3.5Å; S304-R308 PolarHBondContact OG-NE 2.81Å; L305-R308 PolarHBondContact O-N 3.09Å; E306-R308 VanDerWaalsContact C-N 3.35Å; E306-R308 PolarHBondContact O-N 3.39Å; R308-S311 WeakPolarHBondContact O-CB 3.33Å; R308-S311 PolarHBondContact O-N 3.27Å; R308-I312 WeakPolarHBondContact O-CG1 3.49Å; R308-I312 PolarHBondContact O-N 3.03Å; R308-I312 VanDerWaalsContact O-N 3.11Å
309L94.9Very high88.3Confident4 Ų462.5 Ų62.52%0.02132%0.318CS..Hα-helixtrans-66.3-42.5176.4-176.461.5000110.9F285 L305 E306 S311 I312 I313 V340 R341 L344 M387F285-L309 HydrophobicContact CE1-CD1 4.45Å; F285-L309 HydrophobicContact CE2-CB 3.87Å; F285-L309 HydrophobicContact CZ-CB 4.13Å; F285-L309 HydrophobicContact CZ-CD1 4.17Å; L305-L309 WeakPolarHBondContact O-CB 3.25Å; L305-L309 PolarHBondContact O-N 2.8Å; E306-L309 PolarHBondContact O-N 3.14Å; L309-S311 VanDerWaalsContact C-N 3.29Å; L309-S311 PolarHBondContact O-N 3.29Å; L309-I312 WeakPolarHBondContact O-CB 3.42Å; L309-I312 PolarHBondContact O-N 3.21Å; L309-I312 VanDerWaalsContact O-N 3.14Å; L309-I313 HydrophobicContact CD1-CD1 4.36Å; L309-I313 HydrophobicContact CD1-CG1 4.48Å; L309-I313 HydrophobicContact CD2-CD1 4.43Å; L309-I313 HydrophobicContact CG-CD1 3.91Å; L309-I313 HydrophobicContact CG-CG1 4.44Å; L309-I313 VanDerWaalsContact O-CG1 3.3Å; L309-I313 WeakPolarHBondContact O-CG1 3.44Å; L309-I313 PolarHBondContact O-N 2.72Å; L309-V340 HydrophobicContact CD1-CG1 3.91Å; L309-V340 HydrophobicContact CD1-CG2 3.82Å; L309-R341 HydrophobicContact CD2-CG 4.2Å; L309-L344 HydrophobicContact CB-CD2 3.99Å; L309-L344 HydrophobicContact CD2-CB 3.83Å; L309-L344 HydrophobicContact CD2-CD2 3.5Å; L309-L344 VanDerWaalsContact CD2-CD2 3.5Å; L309-L344 HydrophobicContact CD2-CG 4.29Å; L309-L344 HydrophobicContact CG-CD2 4.38Å; L309-M387 HydrophobicContact CD2-CE 4.42Å
310E94.9Very high89.3Confident81 Ų8153.6 Ų53.638%0.37928%0.278SS..Hα-helixtrans-65.7-31.7176.2-71.6-57.2146.100112.5E306 E307 I313 S314 R341E306-E310 WeakPolarHBondContact O-CG 3.4Å; E306-E310 PolarHBondContact O-N 2.99Å; E307-E310 PolarHBondContact O-N 3.06Å; E310-I313 PolarHBondContact O-N 3.35Å; E310-S314 WeakPolarHBondContact O-CB 3.28Å; E310-S314 PolarHBondContact O-N 3.22Å; E310-S314 PolarHBondContact O-OG 3.47Å; E310-R341 WeakPolarHBondContact OE1-CD 3.39Å; E310-R341 IonicContact OE1-NE 3.82Å; E310-R341 PolarHBondContact OE1-NE 3.18Å; E310-R341 IonicContact OE2-NE 3.11Å
311S92.8Very high90.4Very high75 Ų7550.7 Ų50.752%0.52428%0.276SS..Hα-helixtrans-63.1-42.8169.7177.40000112.4E307 R308 L309 S314 G315E307-S311 PolarHBondContact O-N 3.46Å; R308-S311 WeakPolarHBondContact O-CB 3.33Å; R308-S311 PolarHBondContact O-N 3.27Å; L309-S311 VanDerWaalsContact C-N 3.29Å; L309-S311 PolarHBondContact O-N 3.29Å; S311-S314 PolarHBondContact O-N 2.96Å; S311-G315 PolarHBondContact O-N 3.07Å; S311-G315 VanDerWaalsContact O-N 3.13Å
312I94.3Very high91.4Very high1 Ų148.9 Ų48.91%0.00527%0.269CS..Hα-helixtrans-62.3-45.7174.2-71.3162.7000110.7L278 A281 L282 F285 R308 L309 S314 G315 A316 L394L278-I312 HydrophobicContact CD1-CB 4.34Å; L278-I312 HydrophobicContact CD1-CG2 4.03Å; L278-I312 WeakPolarHBondContact CD1-O 3.24Å; A281-I312 HydrophobicContact CB-CG1 3.81Å; L282-I312 HydrophobicContact CD2-CD1 4.16Å; L282-I312 HydrophobicContact CD2-CG1 4.44Å; L282-I312 HydrophobicContact CD2-CG2 3.54Å; L282-I312 HydrophobicContact CG-CD1 4.43Å; L282-I312 HydrophobicContact CG-CG1 4.41Å; L282-I312 HydrophobicContact CG-CG2 4Å; F285-I312 HydrophobicContact CB-CD1 3.55Å; F285-I312 HydrophobicContact CD1-CD1 4.33Å; F285-I312 HydrophobicContact CD2-CD1 4.13Å; F285-I312 HydrophobicContact CG-CD1 3.75Å; R308-I312 WeakPolarHBondContact O-CG1 3.49Å; R308-I312 PolarHBondContact O-N 3.03Å; R308-I312 VanDerWaalsContact O-N 3.11Å; L309-I312 WeakPolarHBondContact O-CB 3.42Å; L309-I312 PolarHBondContact O-N 3.21Å; L309-I312 VanDerWaalsContact O-N 3.14Å; I312-S314 VanDerWaalsContact C-N 3.32Å; I312-S314 PolarHBondContact O-N 3.46Å; I312-G315 PolarHBondContact O-N 2.7Å; I312-A316 PolarHBondContact O-N 3.48Å; I312-L394 HydrophobicContact CG2-CD2 4.01Å
313I96.3Very high91.7Very high11 Ų1150.7 Ų50.76%0.05629%0.29CS..Hα-helixtrans-64.8-38-179.6-71.6174.4000111.2L309 E310 G315 A316 A317 C337 V340 R341L309-I313 HydrophobicContact CD1-CD1 4.36Å; L309-I313 HydrophobicContact CD1-CG1 4.48Å; L309-I313 HydrophobicContact CD2-CD1 4.43Å; L309-I313 HydrophobicContact CG-CD1 3.91Å; L309-I313 HydrophobicContact CG-CG1 4.44Å; L309-I313 VanDerWaalsContact O-CG1 3.3Å; L309-I313 WeakPolarHBondContact O-CG1 3.44Å; L309-I313 PolarHBondContact O-N 2.72Å; E310-I313 PolarHBondContact O-N 3.35Å; I313-G315 VanDerWaalsContact C-N 3.32Å; I313-G315 PolarHBondContact O-N 2.82Å; I313-A316 PolarHBondContact O-N 3.05Å; I313-A317 WeakPolarHBondContact O-CB 3.49Å; I313-A317 PolarHBondContact O-N 2.9Å; I313-C337 HydrophobicContact CG1-CB 4.4Å; I313-C337 HydrophobicContact CG2-CB 4.46Å; I313-V340 HydrophobicContact CD1-CG1 4.37Å; I313-R341 HydrophobicContact CD1-CG 3.43Å; I313-R341 VanDerWaalsContact CD1-CG 3.43Å; I313-R341 VanDerWaalsContact CD1-NE 3.33Å; I313-R341 VanDerWaalsContact CG2-NH2 3.28Å
314S94.3Very high91.9Very high71 Ų7148.6 Ų48.650%0.49728%0.277SS..Hα-helixtrans-62.1-41.7174.2-59.60000111.2E310 S311 I312 A317 L318E310-S314 WeakPolarHBondContact O-CB 3.28Å; E310-S314 PolarHBondContact O-N 3.22Å; E310-S314 PolarHBondContact O-OG 3.47Å; S311-S314 PolarHBondContact O-N 2.96Å; I312-S314 VanDerWaalsContact C-N 3.32Å; I312-S314 PolarHBondContact O-N 3.46Å; S314-A317 PolarHBondContact O-N 3.4Å; S314-L318 PolarHBondContact O-N 2.94Å
315G92.7Very high92.4Very high21 Ų2147.4 Ų47.422%0.21627%0.268CS..Hα-helixtrans-64.8-40.5172.900000113.1S311 I312 I313 A317 L318S311-G315 PolarHBondContact O-N 3.07Å; S311-G315 VanDerWaalsContact O-N 3.13Å; I312-G315 PolarHBondContact O-N 2.7Å; I313-G315 VanDerWaalsContact C-N 3.32Å; I313-G315 PolarHBondContact O-N 2.82Å; G315-A317 VanDerWaalsContact C-N 3.33Å; G315-L318 PolarHBondContact O-N 3.46Å
316A95.3Very high92.5Very high0 Ų050 Ų500%028%0.277CS..Hα-helixtrans-64.7-36.2174.400000112.5I312 I313 M319 A320 I333 L394 L398I312-A316 PolarHBondContact O-N 3.48Å; I313-A316 PolarHBondContact O-N 3.05Å; A316-M319 PolarHBondContact O-N 3.3Å; A316-A320 PolarHBondContact O-N 3.39Å; A316-I333 HydrophobicContact CB-CG2 4.18Å; A316-L394 HydrophobicContact CB-CD1 4.45Å; A316-L398 HydrophobicContact CB-CD1 4.48Å; A316-L398 HydrophobicContact CB-CD2 3.64Å
317A93.7Very high92.5Very high35 Ų3551.9 Ų51.929%0.28929%0.29SS..Hα-helixtrans-64.8-41.9177.400000111.8I313 S314 G315 M319 A320 D321I313-A317 WeakPolarHBondContact O-CB 3.49Å; I313-A317 PolarHBondContact O-N 2.9Å; S314-A317 PolarHBondContact O-N 3.4Å; G315-A317 VanDerWaalsContact C-N 3.33Å; A317-M319 PolarHBondContact O-N 3.45Å; A317-A320 PolarHBondContact O-N 2.95Å; A317-D321 WeakPolarHBondContact O-CB 3.23Å; A317-D321 PolarHBondContact O-N 2.76Å
318L92.3Very high92.4Very high130 Ų13047.9 Ų47.968%0.68127%0.273SS*.Hα-helixtrans-55.6-37174.2-69.9174.7000112.5S314 G315 S322S314-L318 PolarHBondContact O-N 2.94Å; G315-L318 PolarHBondContact O-N 3.46Å; L318-S322 PolarHBondContact O-N 3.02Å
319M93.5Very high92.5Very high1 Ų144.1 Ų44.11%0.00526%0.259CS..Hα-helixtrans-77.8-37.3175.3-168.3162.453.800112.5A316 A317 D321 T325 L398 A401 V402 L452A316-M319 PolarHBondContact O-N 3.3Å; A317-M319 PolarHBondContact O-N 3.45Å; M319-D321 VanDerWaalsContact C-N 3.33Å; M319-T325 PolarHBondContact O-OG1 3.21Å; M319-L398 HydrophobicContact CE-CB 3.41Å; M319-L398 VanDerWaalsContact CE-CB 3.41Å; M319-L398 HydrophobicContact CE-CD2 3.09Å; M319-L398 HydrophobicContact CE-CG 3.77Å; M319-L398 VanDerWaalsContact CE-O 3.29Å; M319-L398 WeakPolarHBondContact CE-O 3.27Å; M319-A401 HydrophobicContact CE-CB 3.98Å; M319-A401 HydrophobicContact CG-CB 4.18Å; M319-A401 HydrophobicContact SD-CB 3.91Å; M319-V402 HydrophobicContact SD-CG2 3.44Å; M319-V402 WeakPolarHBondContact SD-CG2 3.37Å; M319-L452 HydrophobicContact CB-CD2 4.21Å; M319-L452 HydrophobicContact CG-CD2 4.29Å
320A93.9Very high92.4Very high3 Ų347.8 Ų47.83%0.02527%0.272CS..Hα-helixtrans-65.3-37.2176.800000112.4A316 A317 R330 I333A316-A320 PolarHBondContact O-N 3.39Å; A317-A320 PolarHBondContact O-N 2.95Å; A320-R330 HydrophobicContact CB-CG 4.19Å; A320-R330 VanDerWaalsContact O-CD 3.29Å; A320-R330 WeakPolarHBondContact O-CD 3.5Å; A320-R330 WeakPolarHBondContact O-CG 3.33Å; A320-I333 HydrophobicContact CB-CB 4.23Å; A320-I333 HydrophobicContact CB-CD1 4.18Å; A320-I333 HydrophobicContact CB-CG2 4.01Å
321D93.2Very high92.4Very high122 Ų12250.6 Ų50.665%0.65229%0.285SS*.THydrogen-bonded Turntrans-90.4-2-176.9-63.9-26.5000113.3A317 M319A317-D321 WeakPolarHBondContact O-CB 3.23Å; A317-D321 PolarHBondContact O-N 2.76Å; M319-D321 VanDerWaalsContact C-N 3.33Å
322S93.1Very high92.3Very high8 Ų851 Ų516%0.05628%0.276CS..SBendtrans-60.1142.5175.21710000110.9L318 C324 T325 E448L318-S322 PolarHBondContact O-N 3.02Å; S322-C324 PolarHBondContact O-N 2.87Å; S322-C324 VanDerWaalsContact O-N 3.12Å; S322-C324 PolarHBondContact OG-N 3.22Å; S322-T325 WeakPolarHBondContact O-CB 3.47Å; S322-T325 PolarHBondContact O-N 2.91Å; S322-T325 PolarHBondContact O-OG1 3.43Å; S322-E448 WeakPolarHBondContact CB-OE1 3.46Å; S322-E448 PolarHBondContact OG-OE1 2.87Å
323S89.7Confident92.2Very high96 Ų9651 Ų5167%0.67128%0.276SS*.THydrogen-bonded Turntrans-63.2-17.8178.767.90000113.9
324C87.6Confident92.2Very high23 Ų2353.9 Ų53.916%0.15529%0.293CS..THydrogen-bonded Turntrans-89.9-8.2178.1-55.30000112.2S322 H405S322-C324 PolarHBondContact O-N 2.87Å; S322-C324 VanDerWaalsContact O-N 3.12Å; S322-C324 PolarHBondContact OG-N 3.22Å; C324-H405 VanDerWaalsContact C-CD2 3.41Å; C324-H405 VanDerWaalsContact C-NE2 3.35Å; C324-H405 VanDerWaalsContact CB-CD2 3.48Å; C324-H405 WeakPolarHBondContact CB-CD2 3.44Å; C324-H405 PolarHBondContact O-CD2 2.91Å; C324-H405 PolarHBondContact O-NE2 3.41Å
325T91.2Very high92.1Very high10 Ų1052.9 Ų52.96%0.06129%0.289CS..  trans-81.7127.3-174.3-55.30000111.7M319 S322 R329 R330 H405M319-T325 PolarHBondContact O-OG1 3.21Å; S322-T325 WeakPolarHBondContact O-CB 3.47Å; S322-T325 PolarHBondContact O-N 2.91Å; S322-T325 PolarHBondContact O-OG1 3.43Å; T325-R329 HydrophobicContact CG2-CB 4.28Å; T325-R329 HydrophobicContact CG2-CG 4.32Å; T325-R330 HydrophobicContact CG2-CB 4.22Å; T325-H405 WeakPolarHBondContact CA-NE2 3.28Å; T325-H405 PolarHBondContact N-NE2 3.23Å; T325-H405 PolarHBondContact OG1-CE1 3.42Å; T325-H405 VanDerWaalsContact OG1-CE1 3.25Å; T325-H405 PolarHBondContact OG1-NE2 3.43Å
326R90.6Very high92.2Very high57 Ų5753.5 Ų53.522%0.21529%0.286CS..  trans-66.3144.1175.5-56.2177.858.4122.19.3111D328 R329 R330 H534 E537R326-D328 VanDerWaalsContact C-N 3.34Å; R326-D328 WeakPolarHBondContact CB-OD1 3.43Å; R326-D328 IonicContact NE-OD1 3.11Å; R326-D328 PolarHBondContact O-N 3Å; R326-R329 HydrophobicContact CB-CB 4.36Å; R326-R329 PolarHBondContact O-N 3.34Å; R326-R329 VanDerWaalsContact O-N 3.13Å; R326-R330 PolarHBondContact O-N 2.98Å; R326-H534 PolarHBondContact NH1-CD2 3.24Å; R326-H534 VanDerWaalsContact NH1-CD2 3.3Å; R326-H534 PolarHBondContact NH1-NE2 2.64Å; R326-E537 IonicContact CZ-OE1 2.96Å; R326-E537 IonicContact CZ-OE2 2.67Å; R326-E537 IonicContact NH1-OE2 2.68Å; R326-E537 PolarHBondContact NH1-OE2 3.39Å; R326-E537 IonicContact NH2-OE1 2.96Å; R326-E537 PolarHBondContact NH2-OE1 2.7Å; R326-E537 IonicContact NH2-OE2 3.23Å; R326-E537 PolarHBondContact NH2-OE2 3.08Å
327D90.3Very high92.3Very high99 Ų9953.9 Ų53.953%0.52929%0.289SS..Hα-helixtrans-60.7-41.8-174.4-68.3-16.7000112.6R329 R330 E331D327-R329 VanDerWaalsContact C-N 3.34Å; D327-R329 PolarHBondContact O-N 3.41Å; D327-R330 WeakPolarHBondContact O-CB 3.34Å; D327-R330 PolarHBondContact O-N 3.24Å; D327-R330 IonicContact OD1-CZ 2.69Å; D327-R330 IonicContact OD1-NH1 3.76Å; D327-R330 PolarHBondContact OD1-NH1 3.48Å; D327-R330 IonicContact OD1-NH2 3.9Å; D327-R330 PolarHBondContact OD1-NH2 3.39Å; D327-R330 IonicContact OD2-NH2 3.51Å; D327-E331 PolarHBondContact O-N 3.43Å; D327-E331 VanDerWaalsContact O-N 3.07Å
328D87.5Confident92.3Very high63 Ų6356.3 Ų56.334%0.33730%0.297SS..Hα-helixtrans-64.9-37.1177.169.1-53000112.2R326 R332R326-D328 VanDerWaalsContact C-N 3.34Å; R326-D328 WeakPolarHBondContact CB-OD1 3.43Å; R326-D328 IonicContact NE-OD1 3.11Å; R326-D328 PolarHBondContact O-N 3Å; D328-R332 WeakPolarHBondContact O-CG 3.46Å; D328-R332 PolarHBondContact O-N 3.02Å; D328-R332 IonicContact OD2-CZ 3.12Å; D328-R332 VanDerWaalsContact OD2-CZ 3.24Å; D328-R332 IonicContact OD2-NH1 2.89Å; D328-R332 PolarHBondContact OD2-NH1 3.45Å; D328-R332 IonicContact OD2-NH2 3Å; D328-R332 PolarHBondContact OD2-NH2 3Å
329R90.3Very high92.5Very high15 Ų1552.1 Ų52.16%0.05728%0.279CS..Hα-helixtrans-68.8-42.1174.2-176.266.766.9-155.2-6111.4T325 R326 D327 E331 R332 I333 K400 A401 D404T325-R329 HydrophobicContact CG2-CB 4.28Å; T325-R329 HydrophobicContact CG2-CG 4.32Å; R326-R329 HydrophobicContact CB-CB 4.36Å; R326-R329 PolarHBondContact O-N 3.34Å; R326-R329 VanDerWaalsContact O-N 3.13Å; D327-R329 VanDerWaalsContact C-N 3.34Å; D327-R329 PolarHBondContact O-N 3.41Å; R329-E331 VanDerWaalsContact C-N 3.32Å; R329-E331 PolarHBondContact O-N 2.97Å; R329-R332 PolarHBondContact O-N 3.49Å; R329-I333 HydrophobicContact CG-CD1 4.06Å; R329-I333 HydrophobicContact CG-CG1 4.46Å; R329-I333 WeakPolarHBondContact O-CG1 3.33Å; R329-I333 PolarHBondContact O-N 3.41Å; R329-K400 VanDerWaalsContact CZ-CB 3.42Å; R329-A401 HydrophobicContact CG-CB 3.58Å; R329-D404 IonicContact CZ-OD1 3.58Å; R329-D404 IonicContact CZ-OD2 2.82Å; R329-D404 VanDerWaalsContact CZ-OD2 3.29Å; R329-D404 IonicContact NE-OD1 2.98Å; R329-D404 IonicContact NE-OD2 2.71Å; R329-D404 PolarHBondContact NE-OD2 3.45Å; R329-D404 IonicContact NH2-OD1 3.23Å; R329-D404 PolarHBondContact NH2-OD1 2.95Å; R329-D404 IonicContact NH2-OD2 3.23Å; R329-D404 PolarHBondContact NH2-OD2 3.49Å
330R93.8Very high92.5Very high82 Ų8252 Ų5231%0.30928%0.278SS..Hα-helixtrans-56.4-47.6176.7-179.7173.362.9-124-2.1110.6A320 T325 R326 D327 R332 I333 V334A320-R330 HydrophobicContact CB-CG 4.19Å; A320-R330 VanDerWaalsContact O-CD 3.29Å; A320-R330 WeakPolarHBondContact O-CD 3.5Å; A320-R330 WeakPolarHBondContact O-CG 3.33Å; T325-R330 HydrophobicContact CG2-CB 4.22Å; R326-R330 PolarHBondContact O-N 2.98Å; D327-R330 WeakPolarHBondContact O-CB 3.34Å; D327-R330 PolarHBondContact O-N 3.24Å; D327-R330 IonicContact OD1-CZ 2.69Å; D327-R330 IonicContact OD1-NH1 3.76Å; D327-R330 PolarHBondContact OD1-NH1 3.48Å; D327-R330 IonicContact OD1-NH2 3.9Å; D327-R330 PolarHBondContact OD1-NH2 3.39Å; D327-R330 IonicContact OD2-NH2 3.51Å; R330-R332 PolarHBondContact O-N 3.08Å; R330-I333 PolarHBondContact O-N 2.99Å; R330-V334 VanDerWaalsContact O-CG2 3.31Å; R330-V334 WeakPolarHBondContact O-CG2 3.41Å; R330-V334 PolarHBondContact O-N 2.96Å
331E93.3Very high92.6Very high139 Ų13955.6 Ų55.665%0.6529%0.291SS*.Hα-helixtrans-60.4-43.1176.7-70.9-177.6-179.500112.7D327 R329 V334 A335D327-E331 PolarHBondContact O-N 3.43Å; D327-E331 VanDerWaalsContact O-N 3.07Å; R329-E331 VanDerWaalsContact C-N 3.32Å; R329-E331 PolarHBondContact O-N 2.97Å; E331-V334 PolarHBondContact O-N 2.87Å; E331-A335 WeakPolarHBondContact O-CB 3.35Å; E331-A335 PolarHBondContact O-N 2.92Å
332R90.9Very high92.7Very high85 Ų8554.7 Ų54.732%0.32128%0.283SS..Hα-helixtrans-62.5-42.1176.3-72.3-171.7-65.3-99.3-3.9112.8D328 R329 R330 A335 E336D328-R332 WeakPolarHBondContact O-CG 3.46Å; D328-R332 PolarHBondContact O-N 3.02Å; D328-R332 IonicContact OD2-CZ 3.12Å; D328-R332 VanDerWaalsContact OD2-CZ 3.24Å; D328-R332 IonicContact OD2-NH1 2.89Å; D328-R332 PolarHBondContact OD2-NH1 3.45Å; D328-R332 IonicContact OD2-NH2 3Å; D328-R332 PolarHBondContact OD2-NH2 3Å; R329-R332 PolarHBondContact O-N 3.49Å; R330-R332 PolarHBondContact O-N 3.08Å; R332-A335 PolarHBondContact O-N 3.32Å; R332-E336 PolarHBondContact O-N 3.44Å
333I93.2Very high92.6Very high1 Ų154.4 Ų54.41%0.00528%0.281CS..Hα-helixtrans-63.7-45.8176.3-64.5166.6000110.2A316 A320 R329 R330 A335 E336 C337 L394 Q397 L398 A401A316-I333 HydrophobicContact CB-CG2 4.18Å; A320-I333 HydrophobicContact CB-CB 4.23Å; A320-I333 HydrophobicContact CB-CD1 4.18Å; A320-I333 HydrophobicContact CB-CG2 4.01Å; R329-I333 HydrophobicContact CG-CD1 4.06Å; R329-I333 HydrophobicContact CG-CG1 4.46Å; R329-I333 WeakPolarHBondContact O-CG1 3.33Å; R329-I333 PolarHBondContact O-N 3.41Å; R330-I333 PolarHBondContact O-N 2.99Å; I333-A335 VanDerWaalsContact C-N 3.33Å; I333-A335 PolarHBondContact O-N 3.48Å; I333-E336 PolarHBondContact O-N 3.46Å; I333-C337 WeakPolarHBondContact O-CB 3.44Å; I333-C337 PolarHBondContact O-N 3.21Å; I333-C337 PolarHBondContact O-SG 3.5Å; I333-C337 VanDerWaalsContact O-SG 3.37Å; I333-L394 HydrophobicContact CG2-CD1 4.42Å; I333-Q397 HydrophobicContact CG1-CB 4.27Å; I333-L398 HydrophobicContact CG2-CD2 4.16Å; I333-A401 HydrophobicContact CD1-CB 3.85Å
334V95.1Very high92.8Very high71 Ų7150 Ų5043%0.4325%0.25SC..Hα-helixtrans-60.5-43.2178.4171.50000111.1R330 E331 C337 N338R330-V334 VanDerWaalsContact O-CG2 3.31Å; R330-V334 WeakPolarHBondContact O-CG2 3.41Å; R330-V334 PolarHBondContact O-N 2.96Å; E331-V334 PolarHBondContact O-N 2.87Å; V334-C337 WeakPolarHBondContact O-CB 3.21Å; V334-C337 PolarHBondContact O-N 3.47Å; V334-N338 PolarHBondContact O-N 3.4Å; V334-N338 PolarHBondContact O-ND2 3.24Å
335A93.8Very high93Very high49 Ų4951.9 Ų51.941%0.40526%0.256SS..Hα-helixtrans-63-41.9176.800000112.6E331 R332 I333 N338 S339E331-A335 WeakPolarHBondContact O-CB 3.35Å; E331-A335 PolarHBondContact O-N 2.92Å; R332-A335 PolarHBondContact O-N 3.32Å; I333-A335 VanDerWaalsContact C-N 3.33Å; I333-A335 PolarHBondContact O-N 3.48Å; A335-N338 PolarHBondContact O-N 3.1Å; A335-S339 WeakPolarHBondContact O-CB 3.33Å; A335-S339 PolarHBondContact O-N 3.46Å; A335-S339 PolarHBondContact O-OG 3.38Å
336E94.8Very high93Very high34 Ų3453.6 Ų53.616%0.15927%0.265CS..Hα-helixtrans-71.2-35.3176.1-73.7-56.4152.200112.5R332 I333 N338 S339 V340 K390 L394 Q397R332-E336 PolarHBondContact O-N 3.44Å; I333-E336 PolarHBondContact O-N 3.46Å; E336-N338 VanDerWaalsContact C-N 3.3Å; E336-N338 PolarHBondContact O-N 3.01Å; E336-S339 PolarHBondContact O-N 3.38Å; E336-V340 WeakPolarHBondContact O-CG1 3.33Å; E336-V340 PolarHBondContact O-N 3.42Å; E336-K390 IonicContact OE1-NZ 2.67Å; E336-K390 PolarHBondContact OE1-NZ 2.92Å; E336-K390 IonicContact OE2-NZ 3.47Å; E336-K390 PolarHBondContact OE2-NZ 2.99Å; E336-L394 HydrophobicContact CB-CB 4.29Å; E336-L394 HydrophobicContact CB-CD1 4.05Å; E336-Q397 HydrophobicContact CG-CG 3.92Å
337C95.8Very high92.8Very high8 Ų850.9 Ų50.95%0.05426%0.255CS..Hα-helixtrans-58.2-42.1170.1-77.20000111.6I313 I333 V334 V340 R341I313-C337 HydrophobicContact CG1-CB 4.4Å; I313-C337 HydrophobicContact CG2-CB 4.46Å; I333-C337 WeakPolarHBondContact O-CB 3.44Å; I333-C337 PolarHBondContact O-N 3.21Å; I333-C337 PolarHBondContact O-SG 3.5Å; I333-C337 VanDerWaalsContact O-SG 3.37Å; V334-C337 WeakPolarHBondContact O-CB 3.21Å; V334-C337 PolarHBondContact O-N 3.47Å; C337-V340 VanDerWaalsContact O-CG1 3.24Å; C337-V340 WeakPolarHBondContact O-CG1 3.34Å; C337-R341 WeakPolarHBondContact O-CG 3.42Å; C337-R341 PolarHBondContact O-N 2.92Å; C337-R341 PolarHBondContact O-NH1 3.43Å
338N94.8Very high92.6Very high87 Ų8746.2 Ų46.247%0.46523%0.23SC..Hα-helixtrans-67.9-40.4174.6-66.7-25.1000111.9V334 A335 E336 R341 Q342V334-N338 PolarHBondContact O-N 3.4Å; V334-N338 PolarHBondContact O-ND2 3.24Å; A335-N338 PolarHBondContact O-N 3.1Å; E336-N338 VanDerWaalsContact C-N 3.3Å; E336-N338 PolarHBondContact O-N 3.01Å; N338-R341 PolarHBondContact O-N 3.13Å; N338-R341 PolarHBondContact OD1-NH1 2.69Å; N338-Q342 PolarHBondContact O-N 3.19Å
339S95.3Very high92.5Very high41 Ų4146 Ų4629%0.28723%0.234SC..Hα-helixtrans-63.8-41.4178.6-64.30000112.8A335 E336 Q342 A343A335-S339 WeakPolarHBondContact O-CB 3.33Å; A335-S339 PolarHBondContact O-N 3.46Å; A335-S339 PolarHBondContact O-OG 3.38Å; E336-S339 PolarHBondContact O-N 3.38Å; S339-Q342 PolarHBondContact O-N 3.38Å; S339-A343 WeakPolarHBondContact O-CB 3.26Å; S339-A343 PolarHBondContact O-N 3.32Å
340V94.2Very high92.2Very high0 Ų048.8 Ų48.80%025%0.247CC..Hα-helixtrans-71-35.4177.573.60000111.7L309 I313 E336 C337 A343 L344 M387 K390 T391 L394L309-V340 HydrophobicContact CD1-CG1 3.91Å; L309-V340 HydrophobicContact CD1-CG2 3.82Å; I313-V340 HydrophobicContact CD1-CG1 4.37Å; E336-V340 WeakPolarHBondContact O-CG1 3.33Å; E336-V340 PolarHBondContact O-N 3.42Å; C337-V340 VanDerWaalsContact O-CG1 3.24Å; C337-V340 WeakPolarHBondContact O-CG1 3.34Å; V340-A343 PolarHBondContact O-N 2.9Å; V340-L344 PolarHBondContact O-N 2.89Å; V340-M387 HydrophobicContact CG2-CE 3.4Å; V340-M387 VanDerWaalsContact CG2-CE 3.4Å; V340-M387 HydrophobicContact CG2-SD 4.45Å; V340-M387 WeakPolarHBondContact O-CE 3.44Å; V340-K390 HydrophobicContact CB-CB 4.35Å; V340-K390 HydrophobicContact CG2-CB 4.37Å; V340-T391 HydrophobicContact CG2-CG2 3.9Å; V340-L394 HydrophobicContact CG1-CD2 4.09Å
341R95.9Very high91.3Very high77 Ų7745 Ų4529%0.29123%0.233SC..Hα-helixtrans-60.1-48.2170.4-74.9-167-155.494-10111.3L309 E310 I313 C337 N338 A343 L344 Q345L309-R341 HydrophobicContact CD2-CG 4.2Å; E310-R341 WeakPolarHBondContact OE1-CD 3.39Å; E310-R341 IonicContact OE1-NE 3.82Å; E310-R341 PolarHBondContact OE1-NE 3.18Å; E310-R341 IonicContact OE2-NE 3.11Å; I313-R341 HydrophobicContact CD1-CG 3.43Å; I313-R341 VanDerWaalsContact CD1-CG 3.43Å; I313-R341 VanDerWaalsContact CD1-NE 3.33Å; I313-R341 VanDerWaalsContact CG2-NH2 3.28Å; C337-R341 WeakPolarHBondContact O-CG 3.42Å; C337-R341 PolarHBondContact O-N 2.92Å; C337-R341 PolarHBondContact O-NH1 3.43Å; N338-R341 PolarHBondContact O-N 3.13Å; N338-R341 PolarHBondContact OD1-NH1 2.69Å; R341-A343 PolarHBondContact O-N 2.92Å; R341-L344 PolarHBondContact O-N 3.41Å; R341-Q345 WeakPolarHBondContact O-CG 3.26Å; R341-Q345 PolarHBondContact O-N 2.68Å; R341-Q345 VanDerWaalsContact O-N 3.11Å
342Q94.7Very high90.3Very high103 Ų10341 Ų4148%0.48122%0.215SC..Hα-helixtrans-63-43.3179.7-173.159.151.900111.6N338 S339 L344 Q345 D346N338-Q342 PolarHBondContact O-N 3.19Å; S339-Q342 PolarHBondContact O-N 3.38Å; Q342-L344 VanDerWaalsContact C-N 3.26Å; Q342-L344 PolarHBondContact O-N 2.88Å; Q342-Q345 PolarHBondContact O-N 3.04Å; Q342-Q345 VanDerWaalsContact O-N 3.13Å; Q342-D346 PolarHBondContact NE2-OD1 3.45Å; Q342-D346 VanDerWaalsContact O-CG 3.28Å; Q342-D346 PolarHBondContact O-N 2.92Å
343A92.4Very high89.2Confident3 Ų338.6 Ų38.63%0.02522%0.216CC..Hα-helixtrans-60.3-35.1176.800000112.5S339 V340 R341 L347 M387 K390S339-A343 WeakPolarHBondContact O-CB 3.26Å; S339-A343 PolarHBondContact O-N 3.32Å; V340-A343 PolarHBondContact O-N 2.9Å; R341-A343 PolarHBondContact O-N 2.92Å; A343-L347 WeakPolarHBondContact O-CB 3.39Å; A343-L347 PolarHBondContact O-N 2.95Å; A343-M387 HydrophobicContact CB-SD 3.53Å; A343-M387 VanDerWaalsContact CB-SD 3.53Å; A343-K390 HydrophobicContact CB-CB 4.13Å; A343-K390 HydrophobicContact CB-CG 4.05Å
344L93.7Very high87.6Confident2 Ų240.2 Ų40.21%0.0123%0.225CC..Hα-helixtrans-67.8-42.4174.8-179.760.8000111.4F285 L305 E306 L309 V340 R341 Q342 D346 L347 L348 M387F285-L344 HydrophobicContact CZ-CD1 4.31Å; F285-L344 HydrophobicContact CZ-CD2 4.49Å; L305-L344 HydrophobicContact CB-CD1 4.25Å; L305-L344 HydrophobicContact CB-CD2 4.46Å; L305-L344 HydrophobicContact CD1-CD1 4.48Å; E306-L344 HydrophobicContact CG-CD2 4.23Å; L309-L344 HydrophobicContact CB-CD2 3.99Å; L309-L344 HydrophobicContact CD2-CB 3.83Å; L309-L344 HydrophobicContact CD2-CD2 3.5Å; L309-L344 VanDerWaalsContact CD2-CD2 3.5Å; L309-L344 HydrophobicContact CD2-CG 4.29Å; L309-L344 HydrophobicContact CG-CD2 4.38Å; V340-L344 PolarHBondContact O-N 2.89Å; R341-L344 PolarHBondContact O-N 3.41Å; Q342-L344 VanDerWaalsContact C-N 3.26Å; Q342-L344 PolarHBondContact O-N 2.88Å; L344-D346 VanDerWaalsContact C-N 3.33Å; L344-D346 PolarHBondContact O-N 3.35Å; L344-L347 HydrophobicContact CD1-CD2 4.49Å; L344-L347 PolarHBondContact O-N 3.37Å; L344-L348 HydrophobicContact CD1-CD1 4.28Å; L344-L348 HydrophobicContact CD1-CG 4.14Å; L344-L348 HydrophobicContact CG-CD1 3.97Å; L344-L348 HydrophobicContact CG-CG 4.31Å; L344-L348 WeakPolarHBondContact O-CB 3.41Å; L344-L348 VanDerWaalsContact O-CG 3.29Å; L344-L348 WeakPolarHBondContact O-CG 3.39Å; L344-L348 PolarHBondContact O-N 3.43Å; L344-M387 HydrophobicContact CB-CE 3.83Å; L344-M387 HydrophobicContact CB-SD 3.99Å; L344-M387 PolarHBondContact N-SD 3.11Å
345Q92.6Very high85.6Confident63 Ų6339.1 Ų39.129%0.29422%0.217SC..Hα-helixtrans-64.5-38.7178.2-64.2-56.1-42.500111.8E306 R341 Q342 S349E306-Q345 PolarHBondContact OE1-NE2 3.49Å; R341-Q345 WeakPolarHBondContact O-CG 3.26Å; R341-Q345 PolarHBondContact O-N 2.68Å; R341-Q345 VanDerWaalsContact O-N 3.11Å; Q342-Q345 PolarHBondContact O-N 3.04Å; Q342-Q345 VanDerWaalsContact O-N 3.13Å; Q345-S349 WeakPolarHBondContact O-CB 3.33Å; Q345-S349 PolarHBondContact O-N 3.5Å; Q345-S349 PolarHBondContact O-OG 3.36Å
346D89.4Confident83.3Confident46 Ų4644.7 Ų44.725%0.24623%0.229CC..Hα-helixtrans-63-44.6173.5-63.2-9.3000110.8Q342 L344 S349 E350 R386Q342-D346 PolarHBondContact NE2-OD1 3.45Å; Q342-D346 VanDerWaalsContact O-CG 3.28Å; Q342-D346 PolarHBondContact O-N 2.92Å; L344-D346 VanDerWaalsContact C-N 3.33Å; L344-D346 PolarHBondContact O-N 3.35Å; D346-S349 WeakPolarHBondContact O-CB 3.41Å; D346-S349 PolarHBondContact O-N 2.99Å; D346-E350 PolarHBondContact O-N 2.98Å; D346-R386 IonicContact OD2-CZ 3.93Å; D346-R386 IonicContact OD2-NH1 2.97Å; D346-R386 PolarHBondContact OD2-NH1 3.36Å; D346-R386 IonicContact OD2-NH2 3.69Å
347L87.1Confident81.1Confident1 Ų149.1 Ų49.11%0.00525%0.249CC..Hα-helixtrans-62.7-46177.3176.862.8000112.7I289 A343 L344 S349 E350 Y351 L380 A383 I384 M387I289-L347 HydrophobicContact CB-CD2 4.17Å; I289-L347 HydrophobicContact CG2-CD2 4.46Å; A343-L347 WeakPolarHBondContact O-CB 3.39Å; A343-L347 PolarHBondContact O-N 2.95Å; L344-L347 HydrophobicContact CD1-CD2 4.49Å; L344-L347 PolarHBondContact O-N 3.37Å; L347-S349 VanDerWaalsContact C-N 3.27Å; L347-S349 PolarHBondContact O-N 3.4Å; L347-E350 PolarHBondContact O-N 3.06Å; L347-Y351 HydrophobicContact CD1-CD2 3.94Å; L347-Y351 HydrophobicContact CD1-CE2 3.58Å; L347-Y351 HydrophobicContact CD2-CE2 4.23Å; L347-Y351 HydrophobicContact CG-CD2 3.95Å; L347-Y351 HydrophobicContact CG-CE2 3.76Å; L347-Y351 VanDerWaalsContact O-CD2 3.31Å; L347-Y351 WeakPolarHBondContact O-CD2 3.27Å; L347-Y351 PolarHBondContact O-N 3.23Å; L347-L380 HydrophobicContact CD1-CD1 4.01Å; L347-A383 HydrophobicContact CB-CB 4.48Å; L347-A383 HydrophobicContact CD1-CB 3.94Å; L347-I384 HydrophobicContact CD1-CB 4.47Å; L347-I384 HydrophobicContact CD1-CG1 3.58Å; L347-M387 HydrophobicContact CD2-CB 4.01Å; L347-M387 HydrophobicContact CD2-CG 3.95Å
348L86.3Confident78.5Confident1 Ų156.2 Ų56.21%0.00528%0.279CS..Hα-helixtrans-61.5-38.7176.4-71.6169.9000111F296 R302 L305 E306 L344 E350 Y351 M352F296-L348 HydrophobicContact CE2-CD2 4.32Å; F296-L348 HydrophobicContact CZ-CD2 4.23Å; R302-L348 HydrophobicContact CB-CD2 4.22Å; R302-L348 HydrophobicContact CG-CD1 4.01Å; R302-L348 HydrophobicContact CG-CD2 4.36Å; L305-L348 HydrophobicContact CD1-CD2 4.29Å; E306-L348 HydrophobicContact CG-CD1 4.28Å; L344-L348 HydrophobicContact CD1-CD1 4.28Å; L344-L348 HydrophobicContact CD1-CG 4.14Å; L344-L348 HydrophobicContact CG-CD1 3.97Å; L344-L348 HydrophobicContact CG-CG 4.31Å; L344-L348 WeakPolarHBondContact O-CB 3.41Å; L344-L348 VanDerWaalsContact O-CG 3.29Å; L344-L348 WeakPolarHBondContact O-CG 3.39Å; L344-L348 PolarHBondContact O-N 3.43Å; L348-E350 PolarHBondContact O-N 2.99Å; L348-Y351 PolarHBondContact O-N 3.14Å; L348-M352 WeakPolarHBondContact O-CG 3.39Å; L348-M352 PolarHBondContact O-N 3.31Å
349S86.1Confident76Confident58 Ų5855.8 Ų55.841%0.40628%0.282SS..Hα-helixtrans-62.4-40.3175.5-60.30000112.4Q345 D346 L347 M352 G353Q345-S349 WeakPolarHBondContact O-CB 3.33Å; Q345-S349 PolarHBondContact O-N 3.5Å; Q345-S349 PolarHBondContact O-OG 3.36Å; D346-S349 WeakPolarHBondContact O-CB 3.41Å; D346-S349 PolarHBondContact O-N 2.99Å; L347-S349 VanDerWaalsContact C-N 3.27Å; L347-S349 PolarHBondContact O-N 3.4Å; S349-M352 PolarHBondContact O-N 3.12Å; S349-G353 PolarHBondContact O-N 3.07Å
350E82.8Confident73Confident74 Ų7462.5 Ų62.535%0.34631%0.306SS..Hα-helixtrans-68.1-39.1174.6-72.3-60.8146.100112.7D346 L347 L348 M352 G353 N354 A379 L380 A383D346-E350 PolarHBondContact O-N 2.98Å; L347-E350 PolarHBondContact O-N 3.06Å; L348-E350 PolarHBondContact O-N 2.99Å; E350-M352 VanDerWaalsContact C-N 3.28Å; E350-M352 PolarHBondContact O-N 3.3Å; E350-G353 PolarHBondContact O-N 3.41Å; E350-N354 WeakPolarHBondContact O-CB 3.45Å; E350-N354 PolarHBondContact O-N 3.31Å; E350-A379 WeakPolarHBondContact OE2-CB 3.44Å; E350-L380 HydrophobicContact CB-CD1 3.96Å; E350-A383 HydrophobicContact CB-CB 4.27Å; E350-A383 HydrophobicContact CG-CB 3.89Å
351Y74.8Confident70.4Confident1 Ų168.3 Ų68.30%0.00434%0.342CS..Hα-helixtrans-62.2-35.6172.3-83.9-68.8000112.3I289 L291 F296 L347 L348 N355 L380I289-Y351 PolarHBondContact O-OH 2.99Å; L291-Y351 HydrophobicContact CB-CE1 4.19Å; L291-Y351 PolarHBondContact N-OH 3.27Å; F296-Y351 HydrophobicContact CB-CD1 4.3Å; F296-Y351 HydrophobicContact CD2-CD1 4.16Å; F296-Y351 HydrophobicContact CD2-CG 4.13Å; F296-Y351 HydrophobicContact CE2-CG 4.24Å; F296-Y351 HydrophobicContact CG-CD1 4.14Å; F296-Y351 HydrophobicContact CG-CG 4.34Å; L347-Y351 HydrophobicContact CD1-CD2 3.94Å; L347-Y351 HydrophobicContact CD1-CE2 3.58Å; L347-Y351 HydrophobicContact CD2-CE2 4.23Å; L347-Y351 HydrophobicContact CG-CD2 3.95Å; L347-Y351 HydrophobicContact CG-CE2 3.76Å; L347-Y351 VanDerWaalsContact O-CD2 3.31Å; L347-Y351 WeakPolarHBondContact O-CD2 3.27Å; L347-Y351 PolarHBondContact O-N 3.23Å; L348-Y351 PolarHBondContact O-N 3.14Å; Y351-N355 PolarHBondContact O-N 3.08Å; Y351-N355 PolarHBondContact O-ND2 3.2Å; Y351-N355 VanDerWaalsContact O-ND2 3.08Å; Y351-L380 HydrophobicContact CD1-CD1 3.99Å; Y351-L380 HydrophobicContact CD1-CD2 4.2Å; Y351-L380 HydrophobicContact CD2-CD1 3.98Å; Y351-L380 HydrophobicContact CE1-CD1 3.99Å; Y351-L380 HydrophobicContact CE1-CD2 3.98Å; Y351-L380 HydrophobicContact CE2-CD1 4Å; Y351-L380 HydrophobicContact CG-CD1 3.98Å
352M73.7Confident67.7Low56 Ų5673.3 Ų73.328%0.27637%0.366SS..Hα-helixtrans-71.1-45.2173.1-69.5-172.6-64.800112.1L348 S349 E350 N354 N355 Y356L348-M352 WeakPolarHBondContact O-CG 3.39Å; L348-M352 PolarHBondContact O-N 3.31Å; S349-M352 PolarHBondContact O-N 3.12Å; E350-M352 VanDerWaalsContact C-N 3.28Å; E350-M352 PolarHBondContact O-N 3.3Å; M352-N354 VanDerWaalsContact C-N 3.3Å; M352-N354 PolarHBondContact O-N 3.4Å; M352-N355 CarbonylContact O-C 3.5Å; M352-N355 WeakPolarHBondContact O-CA 3.46Å; M352-N355 WeakPolarHBondContact O-CB 3.45Å; M352-N355 PolarHBondContact O-N 2.59Å; M352-Y356 PolarHBondContact O-N 2.99Å
353G66.8Low65.2Low34 Ų3473.8 Ų73.835%0.35138%0.376SS..Hα-helixtrans-62.2-35.4178.900000113.3S349 E350 N355 Y356 H357S349-G353 PolarHBondContact O-N 3.07Å; E350-G353 PolarHBondContact O-N 3.41Å; G353-N355 VanDerWaalsContact C-N 3.31Å; G353-N355 PolarHBondContact O-N 3.5Å; G353-Y356 PolarHBondContact O-N 2.93Å; G353-H357 PolarHBondContact O-N 3.45Å
354N60Low62.7Low36 Ų3682.2 Ų82.219%0.19341%0.412CS..Hα-helixtrans-69.6-28.7174.6-151.225.4000112.1E350 M352E350-N354 WeakPolarHBondContact O-CB 3.45Å; E350-N354 PolarHBondContact O-N 3.31Å; M352-N354 VanDerWaalsContact C-N 3.3Å; M352-N354 PolarHBondContact O-N 3.4Å
355N53.2Low60.1Low48 Ų4889.6 Ų89.626%0.25745%0.451SS..Hα-helixtrans-82-27.7170.8-84.4-58.8000113.3Y351 M352 G353 K358Y351-N355 PolarHBondContact O-N 3.08Å; Y351-N355 PolarHBondContact O-ND2 3.2Å; Y351-N355 VanDerWaalsContact O-ND2 3.08Å; M352-N355 CarbonylContact O-C 3.5Å; M352-N355 WeakPolarHBondContact O-CA 3.46Å; M352-N355 WeakPolarHBondContact O-CB 3.45Å; M352-N355 PolarHBondContact O-N 2.59Å; G353-N355 VanDerWaalsContact C-N 3.31Å; G353-N355 PolarHBondContact O-N 3.5Å; N355-K358 WeakPolarHBondContact O-CB 3.42Å; N355-K358 PolarHBondContact O-N 3.43Å; N355-K358 VanDerWaalsContact O-N 3.14Å
356Y45.6Very low57.2Low165 Ų16593.8 Ų93.865%0.64748%0.475SS*.Hα-helixtrans-77.5-22.3-178.6-127.9-91000114M352 G353 K358 C359 K360M352-Y356 PolarHBondContact O-N 2.99Å; G353-Y356 PolarHBondContact O-N 2.93Å; Y356-K358 PolarHBondContact O-N 2.99Å; Y356-K358 VanDerWaalsContact O-N 3.11Å; Y356-C359 PolarHBondContact O-N 3.24Å; Y356-K360 PolarHBondContact O-N 3.1Å
357H47.3Very low54.6Low128 Ų12898.4 Ų98.459%0.59351%0.505SS*.THydrogen-bonded Turntrans-60-15.4165.3-95.770.4000113G353 T361G353-H357 PolarHBondContact O-N 3.45Å; H357-T361 PolarHBondContact O-OG1 2.72Å
358K42.6Very low52Low157 Ų157103.5 Ų103.568%0.68354%0.54SS*.THydrogen-bonded Turntrans-78.4-22.7173.6-143.1177.2-169.6175.40112.5N355 Y356N355-K358 WeakPolarHBondContact O-CB 3.42Å; N355-K358 PolarHBondContact O-N 3.43Å; N355-K358 VanDerWaalsContact O-N 3.14Å; Y356-K358 PolarHBondContact O-N 2.99Å; Y356-K358 VanDerWaalsContact O-N 3.11Å
359C41Very low49.5Very low78 Ų78113.1 Ų113.153%0.52758%0.582SS.*THydrogen-bonded Turntrans-102.4-25.9-171.6-160.90000114.4Y356 F362Y356-C359 PolarHBondContact O-N 3.24Å; C359-F362 PolarHBondContact O-N 3.33Å
360K33.9Very low46.9Very low181 Ų181121.1 Ų121.179%0.78761%0.61SS**G310 helixtrans-80-21.8179.2-117.4178.3-177.8175.70114.1Y356 F362Y356-K360 PolarHBondContact O-N 3.1Å; K360-F362 PolarHBondContact O-N 3.41Å; K360-F362 VanDerWaalsContact O-N 3.12Å
361T38.2Very low44.5Very low123 Ų123121.7 Ų121.776%0.75563%0.627SS**G310 helixtrans-80.827169.7-27.20000112.4H357H357-T361 PolarHBondContact O-OG1 2.72Å
362F40.7Very low42.7Very low181 Ų181124.8 Ų124.879%0.79466%0.66SS**G310 helixtrans-112.10.8172.6-138.6-93.5000113C359 K360C359-F362 PolarHBondContact O-N 3.33Å; K360-F362 PolarHBondContact O-N 3.41Å; K360-F362 VanDerWaalsContact O-N 3.12Å
363V41.8Very low41.1Very low113 Ų113131.2 Ų131.269%0.68568%0.681SS**SBendtrans-136.168.2178-161.70000110.6
364F38.8Very low40Very low180 Ų180138.5 Ų138.579%0.78970%0.703SS**SBendtrans158.9120.9139.8-105.9-99.5000110
365L38.9Very low39.5Very low157 Ų157143 Ų14382%0.82273%0.727SS**  trans19103.3167-7493.2000117.9
366D31.6Very low39.5Very low151 Ų151144.7 Ų144.781%0.80773%0.732SS**  -177.1123.5110.1-147.3-12.8000111S368D366-S368 PolarHBondContact O-N 2.88Å
367V35.4Very low40.3Very low143 Ų143138.7 Ų138.787%0.86771%0.714SS**THydrogen-bonded Turntrans-89.379.1-179.8178.40000108
368S33.2Very low41.3Very low108 Ų108138.8 Ų138.876%0.75572%0.719SS**THydrogen-bonded Turntrans-163.98.5167.5-93.20000119.5D366D366-S368 PolarHBondContact O-N 2.88Å
369K33.4Very low42.6Very low204 Ų204133.4 Ų133.489%0.88770%0.704SS**  trans-134.675.2171.2-85.7-177.5178.9170.80113.3A371K369-A371 PolarHBondContact O-N 3Å; K369-A371 VanDerWaalsContact O-N 3.07Å
370K31.3Very low44Very low225 Ų225129.7 Ų129.798%0.97868%0.679SS**  trans-75.678.9156.8-88.5-177.7175.4175.70109.3
371A33.2Very low45.8Very low86 Ų86123.5 Ų123.571%0.71165%0.654SS**  trans-133.997.4159.400000106.7K369K369-A371 PolarHBondContact O-N 3Å; K369-A371 VanDerWaalsContact O-N 3.07Å
372G37.1Very low47.6Very low67 Ų67122 Ų12269%0.69165%0.645SS**  trans-54.9140.4170.200000109.5K374G372-K374 PolarHBondContact O-N 3.48Å
373R40.2Very low49.3Very low190 Ų190114 Ų11472%0.71761%0.612SS**  trans-55.6110.1167-95179.8172.3164.7-3.1107.4D375R373-D375 VanDerWaalsContact C-N 3.33Å
374K43.6Very low50.9Low187 Ų187109 Ų10981%0.81358%0.582SS**  trans-85.6-5.4178.8-101.4-176.5173.5-177.80112.8G372G372-K374 PolarHBondContact O-N 3.48Å
375D47.7Very low52.6Low132 Ų132105.5 Ų105.571%0.70657%0.571SS**SBendtrans-115.4145.4-172.2-60.2-38.6000112.1R373R373-D375 VanDerWaalsContact C-N 3.33Å
376K54.8Low54.6Low82 Ų82104.4 Ų104.436%0.35756%0.556SS.*  trans-59.3132.8175.2-65.9-179.4177.3-173.50110.1P293 N381P293-K376 HydrophobicContact CG-CG 3.78Å; K376-N381 WeakPolarHBondContact CD-OD1 3.3Å
377S62.4Low57.3Low40 Ų4097.2 Ų97.228%0.2852%0.518SS..  trans-66.7145.6172.7-179.40000110.7A379 L380 N381S377-A379 PolarHBondContact O-N 3.5Å; S377-A379 PolarHBondContact OG-N 3.28Å; S377-L380 WeakPolarHBondContact O-CB 3.46Å; S377-L380 PolarHBondContact O-N 2.97Å; S377-N381 PolarHBondContact O-N 3.34Å; S377-N381 PolarHBondContact O-ND2 2.99Å
378D67Low59.5Low130 Ų13093 Ų9370%0.69549%0.492SS*.Hα-helixtrans-59.8-32.3174.5-66.5-32000112.1N381 T382D378-N381 PolarHBondContact O-N 3.23Å; D378-T382 WeakPolarHBondContact O-CB 3.33Å; D378-T382 PolarHBondContact O-N 3.5Å; D378-T382 PolarHBondContact O-OG1 2.69Å
379A70.2Confident61.8Low43 Ų4393.2 Ų93.236%0.35548%0.479SS..Hα-helixtrans-64.8-41.2173.100000112.2E350 S377 T382 A383E350-A379 WeakPolarHBondContact OE2-CB 3.44Å; S377-A379 PolarHBondContact O-N 3.5Å; S377-A379 PolarHBondContact OG-N 3.28Å; A379-T382 PolarHBondContact O-N 2.99Å; A379-A383 PolarHBondContact O-N 3.38Å
380L71.6Confident64.5Low1 Ų185.5 Ų85.51%0.00545%0.446CS..Hα-helixtrans-67.2-41.3176.2178.963.6000111.3P293 L347 E350 Y351 S377 T382 A383 I384P293-L380 HydrophobicContact CB-CD2 4.37Å; P293-L380 HydrophobicContact CG-CD2 3.88Å; L347-L380 HydrophobicContact CD1-CD1 4.01Å; E350-L380 HydrophobicContact CB-CD1 3.96Å; Y351-L380 HydrophobicContact CD1-CD1 3.99Å; Y351-L380 HydrophobicContact CD1-CD2 4.2Å; Y351-L380 HydrophobicContact CD2-CD1 3.98Å; Y351-L380 HydrophobicContact CE1-CD1 3.99Å; Y351-L380 HydrophobicContact CE1-CD2 3.98Å; Y351-L380 HydrophobicContact CE2-CD1 4Å; Y351-L380 HydrophobicContact CG-CD1 3.98Å; S377-L380 WeakPolarHBondContact O-CB 3.46Å; S377-L380 PolarHBondContact O-N 2.97Å; L380-T382 VanDerWaalsContact C-N 3.32Å; L380-T382 PolarHBondContact O-N 2.88Å; L380-A383 PolarHBondContact O-N 3Å; L380-I384 HydrophobicContact CD1-CD1 4.37Å; L380-I384 HydrophobicContact CD1-CG1 4.49Å; L380-I384 HydrophobicContact CG-CD1 4.06Å; L380-I384 VanDerWaalsContact O-CG1 3.26Å; L380-I384 WeakPolarHBondContact O-CG1 3.33Å; L380-I384 PolarHBondContact O-N 2.83Å
381N71.2Confident67Low51 Ų5174.8 Ų74.827%0.27340%0.4SS..Hα-helixtrans-61.7-42.8174.8-67.8-35.3000110.9K376 S377 D378 A383 I384 D385K376-N381 WeakPolarHBondContact CD-OD1 3.3Å; S377-N381 PolarHBondContact O-N 3.34Å; S377-N381 PolarHBondContact O-ND2 2.99Å; D378-N381 PolarHBondContact O-N 3.23Å; N381-A383 VanDerWaalsContact C-N 3.34Å; N381-A383 PolarHBondContact O-N 2.99Å; N381-I384 PolarHBondContact O-N 3.28Å; N381-D385 VanDerWaalsContact O-CG 3.24Å; N381-D385 PolarHBondContact O-N 3.3Å
382T75.8Confident69.4Low92 Ų9276.6 Ų76.656%0.56439%0.388SS*.Hα-helixtrans-61.8-40176.2-54.20000112.2D378 A379 L380 D385 R386D378-T382 WeakPolarHBondContact O-CB 3.33Å; D378-T382 PolarHBondContact O-N 3.5Å; D378-T382 PolarHBondContact O-OG1 2.69Å; A379-T382 PolarHBondContact O-N 2.99Å; L380-T382 VanDerWaalsContact C-N 3.32Å; L380-T382 PolarHBondContact O-N 2.88Å; T382-D385 PolarHBondContact O-N 3.06Å; T382-R386 WeakPolarHBondContact O-CB 3.46Å; T382-R386 PolarHBondContact O-N 2.99Å
383A75.8Confident71.6Confident12 Ų1274.7 Ų74.710%0.09936%0.362CS..Hα-helixtrans-68.3-37.917600000112.5L347 E350 A379 L380 N381 R386 M387L347-A383 HydrophobicContact CB-CB 4.48Å; L347-A383 HydrophobicContact CD1-CB 3.94Å; E350-A383 HydrophobicContact CB-CB 4.27Å; E350-A383 HydrophobicContact CG-CB 3.89Å; A379-A383 PolarHBondContact O-N 3.38Å; L380-A383 PolarHBondContact O-N 3Å; N381-A383 VanDerWaalsContact C-N 3.34Å; N381-A383 PolarHBondContact O-N 2.99Å; A383-R386 PolarHBondContact O-N 3.41Å; A383-M387 WeakPolarHBondContact O-CB 3.41Å; A383-M387 PolarHBondContact O-N 3.3Å
384I75.6Confident74.1Confident9 Ų965.7 Ų65.75%0.04633%0.328CS..Hα-helixtrans-63.1-44.2172.8-69.4167.2000110.4I290 L347 L380 N381 M387 T388I290-I384 HydrophobicContact CD1-CG2 4.47Å; I290-I384 HydrophobicContact CG1-CG2 3.98Å; L347-I384 HydrophobicContact CD1-CB 4.47Å; L347-I384 HydrophobicContact CD1-CG1 3.58Å; L380-I384 HydrophobicContact CD1-CD1 4.37Å; L380-I384 HydrophobicContact CD1-CG1 4.49Å; L380-I384 HydrophobicContact CG-CD1 4.06Å; L380-I384 VanDerWaalsContact O-CG1 3.26Å; L380-I384 WeakPolarHBondContact O-CG1 3.33Å; L380-I384 PolarHBondContact O-N 2.83Å; N381-I384 PolarHBondContact O-N 3.28Å; I384-M387 PolarHBondContact O-N 2.78Å; I384-T388 WeakPolarHBondContact O-CB 3.32Å; I384-T388 PolarHBondContact O-N 2.94Å; I384-T388 PolarHBondContact O-OG1 3.08Å
385D75.3Confident76.3Confident106 Ų10658.8 Ų58.857%0.56730%0.297SS*.Hα-helixtrans-63.2-44.6178-69.5-21000111N381 T382 M387 T388 K389N381-D385 VanDerWaalsContact O-CG 3.24Å; N381-D385 PolarHBondContact O-N 3.3Å; T382-D385 PolarHBondContact O-N 3.06Å; D385-M387 VanDerWaalsContact C-N 3.34Å; D385-M387 PolarHBondContact O-N 3.21Å; D385-T388 PolarHBondContact O-N 2.82Å; D385-K389 WeakPolarHBondContact O-CB 3.29Å; D385-K389 PolarHBondContact O-N 3.46Å
386R79.4Confident78Confident134 Ų13453.4 Ų53.451%0.50627%0.267SS..Hα-helixtrans-61.7-41.6175.5-171.1178-179.2-157.4-6.5111.9D346 T382 A383 K389 K390D346-R386 IonicContact OD2-CZ 3.93Å; D346-R386 IonicContact OD2-NH1 2.97Å; D346-R386 PolarHBondContact OD2-NH1 3.36Å; D346-R386 IonicContact OD2-NH2 3.69Å; T382-R386 WeakPolarHBondContact O-CB 3.46Å; T382-R386 PolarHBondContact O-N 2.99Å; A383-R386 PolarHBondContact O-N 3.41Å; R386-K389 PolarHBondContact O-N 3.27Å; R386-K390 PolarHBondContact O-N 3.4Å
387M89.9Confident79.5Confident0 Ų050.8 Ų50.80%026%0.256CS..Hα-helixtrans-64-46.9177.1-170.363.1-161.400111.7F285 I289 L309 V340 A343 L344 L347 A383 I384 D385 K389 K390 T391F285-M387 HydrophobicContact CE1-CE 3.39Å; F285-M387 HydrophobicContact CZ-CE 3.63Å; I289-M387 HydrophobicContact CD1-CB 4.2Å; I289-M387 HydrophobicContact CD1-CG 3.89Å; I289-M387 HydrophobicContact CG2-CG 4.33Å; L309-M387 HydrophobicContact CD2-CE 4.42Å; V340-M387 HydrophobicContact CG2-CE 3.4Å; V340-M387 VanDerWaalsContact CG2-CE 3.4Å; V340-M387 HydrophobicContact CG2-SD 4.45Å; V340-M387 WeakPolarHBondContact O-CE 3.44Å; A343-M387 HydrophobicContact CB-SD 3.53Å; A343-M387 VanDerWaalsContact CB-SD 3.53Å; L344-M387 HydrophobicContact CB-CE 3.83Å; L344-M387 HydrophobicContact CB-SD 3.99Å; L344-M387 PolarHBondContact N-SD 3.11Å; L347-M387 HydrophobicContact CD2-CB 4.01Å; L347-M387 HydrophobicContact CD2-CG 3.95Å; A383-M387 WeakPolarHBondContact O-CB 3.41Å; A383-M387 PolarHBondContact O-N 3.3Å; I384-M387 PolarHBondContact O-N 2.78Å; D385-M387 VanDerWaalsContact C-N 3.34Å; D385-M387 PolarHBondContact O-N 3.21Å; M387-K389 VanDerWaalsContact C-N 3.29Å; M387-K389 PolarHBondContact O-N 3.14Å; M387-K390 PolarHBondContact O-N 2.84Å; M387-K390 VanDerWaalsContact O-N 3.14Å; M387-T391 HydrophobicContact CE-CG2 4.04Å; M387-T391 PolarHBondContact O-N 3.43Å; M387-T391 PolarHBondContact O-OG1 3.08Å
388T80.5Confident81Confident54 Ų5449 Ų4933%0.33124%0.243SC..Hα-helixtrans-63.3-36.3177.8-51.70000111.6I384 D385 T391 R392I384-T388 WeakPolarHBondContact O-CB 3.32Å; I384-T388 PolarHBondContact O-N 2.94Å; I384-T388 PolarHBondContact O-OG1 3.08Å; D385-T388 PolarHBondContact O-N 2.82Å; T388-T391 PolarHBondContact O-OG1 3.15Å; T388-R392 WeakPolarHBondContact O-CB 3.48Å; T388-R392 PolarHBondContact O-N 3.06Å
389K81.9Confident82Confident112 Ų11246.2 Ų46.249%0.48722%0.223SC..Hα-helixtrans-63.7-46.8172.4-175.7176.4178.6175.20110.9D385 R386 M387 T391 R392 D393D385-K389 WeakPolarHBondContact O-CB 3.29Å; D385-K389 PolarHBondContact O-N 3.46Å; R386-K389 PolarHBondContact O-N 3.27Å; M387-K389 VanDerWaalsContact C-N 3.29Å; M387-K389 PolarHBondContact O-N 3.14Å; K389-T391 PolarHBondContact O-N 3.16Å; K389-R392 WeakPolarHBondContact O-CA 2.71Å; K389-R392 WeakPolarHBondContact O-CB 3.37Å; K389-R392 PolarHBondContact O-N 3.48Å; K389-R392 VanDerWaalsContact O-N 3.12Å; K389-D393 VanDerWaalsContact O-CG 3.31Å; K389-D393 PolarHBondContact O-N 2.71Å
390K89.2Confident82.8Confident42 Ų4245 Ų4518%0.18321%0.21CC..Hα-helixtrans-68.3-32.5-178.5-75.3-48.4-166.3177.10114.7E336 V340 A343 R386 M387 R392 D393 L394E336-K390 IonicContact OE1-NZ 2.67Å; E336-K390 PolarHBondContact OE1-NZ 2.92Å; E336-K390 IonicContact OE2-NZ 3.47Å; E336-K390 PolarHBondContact OE2-NZ 2.99Å; V340-K390 HydrophobicContact CB-CB 4.35Å; V340-K390 HydrophobicContact CG2-CB 4.37Å; A343-K390 HydrophobicContact CB-CB 4.13Å; A343-K390 HydrophobicContact CB-CG 4.05Å; R386-K390 PolarHBondContact O-N 3.4Å; M387-K390 PolarHBondContact O-N 2.84Å; M387-K390 VanDerWaalsContact O-N 3.14Å; K390-R392 VanDerWaalsContact C-N 3.32Å; K390-D393 HydrophobicContact CD-CB 4.42Å; K390-D393 WeakPolarHBondContact CD-OD2 3.46Å; K390-D393 IonicContact NZ-OD2 3.3Å; K390-D393 PolarHBondContact NZ-OD2 2.75Å; K390-L394 PolarHBondContact O-N 2.91Å; K390-L394 VanDerWaalsContact O-N 3.09Å
391T83.8Confident83.8Confident1 Ų145 Ų451%0.00621%0.21CC..Hα-helixtrans-66.9-35.3169.955.50000111.9F285 D286 V340 M387 T388 K389 R395F285-T391 HydrophobicContact CD1-CG2 3.79Å; F285-T391 HydrophobicContact CE1-CG2 3.77Å; D286-T391 WeakPolarHBondContact OD1-CB 3.47Å; D286-T391 PolarHBondContact OD1-OG1 3.15Å; V340-T391 HydrophobicContact CG2-CG2 3.9Å; M387-T391 HydrophobicContact CE-CG2 4.04Å; M387-T391 PolarHBondContact O-N 3.43Å; M387-T391 PolarHBondContact O-OG1 3.08Å; T388-T391 PolarHBondContact O-OG1 3.15Å; K389-T391 PolarHBondContact O-N 3.16Å; T391-R395 WeakPolarHBondContact O-CB 3.49Å; T391-R395 PolarHBondContact O-N 2.9Å
392R84.6Confident84.9Confident123 Ų12342.6 Ų42.646%0.46420%0.197SC..Hα-helixtrans-67.7-44.1173.9-172.1179.370.4170.98.9112.7T388 K389 K390 R395 R396T388-R392 WeakPolarHBondContact O-CB 3.48Å; T388-R392 PolarHBondContact O-N 3.06Å; K389-R392 WeakPolarHBondContact O-CA 2.71Å; K389-R392 WeakPolarHBondContact O-CB 3.37Å; K389-R392 PolarHBondContact O-N 3.48Å; K389-R392 VanDerWaalsContact O-N 3.12Å; K390-R392 VanDerWaalsContact C-N 3.32Å; R392-R395 PolarHBondContact O-N 3.27Å; R392-R396 PolarHBondContact O-N 3.41Å
393D84.1Confident85.6Confident28 Ų2838.4 Ų38.415%0.1517%0.171CC..Hα-helixtrans-60.1-47.4177.6-66.1-5.9000110.5K389 K390 R396 Q397K389-D393 VanDerWaalsContact O-CG 3.31Å; K389-D393 PolarHBondContact O-N 2.71Å; K390-D393 HydrophobicContact CD-CB 4.42Å; K390-D393 WeakPolarHBondContact CD-OD2 3.46Å; K390-D393 IonicContact NZ-OD2 3.3Å; K390-D393 PolarHBondContact NZ-OD2 2.75Å; D393-R396 PolarHBondContact O-N 3.23Å; D393-Q397 PolarHBondContact O-N 3.02Å
394L91.6Very high86.3Confident1 Ų138 Ų381%0.00517%0.167CC..Hα-helixtrans-58.5-52173.6177.460.9000111I312 A316 I333 E336 V340 K390 R396 Q397 L398I312-L394 HydrophobicContact CG2-CD2 4.01Å; A316-L394 HydrophobicContact CB-CD1 4.45Å; I333-L394 HydrophobicContact CG2-CD1 4.42Å; E336-L394 HydrophobicContact CB-CB 4.29Å; E336-L394 HydrophobicContact CB-CD1 4.05Å; V340-L394 HydrophobicContact CG1-CD2 4.09Å; K390-L394 PolarHBondContact O-N 2.91Å; K390-L394 VanDerWaalsContact O-N 3.09Å; L394-R396 PolarHBondContact O-N 3.18Å; L394-R396 VanDerWaalsContact O-N 3.11Å; L394-Q397 PolarHBondContact O-N 3.36Å; L394-Q397 VanDerWaalsContact O-N 3.09Å; L394-L398 HydrophobicContact CD1-CD1 4.27Å; L394-L398 HydrophobicContact CD1-CD2 4.29Å; L394-L398 HydrophobicContact CD1-CG 4.11Å; L394-L398 HydrophobicContact CG-CD1 3.97Å; L394-L398 HydrophobicContact CG-CG 4.28Å; L394-L398 VanDerWaalsContact O-CG 3.22Å; L394-L398 WeakPolarHBondContact O-CG 2.88Å; L394-L398 PolarHBondContact O-N 3.12Å
395R89.3Confident87.1Confident41 Ų4137.6 Ų37.616%0.15517%0.165CC..Hα-helixtrans-52.6-36.9177.8-172.2-173.8-74.1121.2-6111.8L282 N283 D286 T391 R392 R399L282-R395 HydrophobicContact CD1-CB 4.2Å; L282-R395 HydrophobicContact CD1-CG 4.14Å; N283-R395 PolarHBondContact OD1-NH2 3.28Å; D286-R395 IonicContact OD2-CZ 3.67Å; D286-R395 IonicContact OD2-NH1 3Å; D286-R395 PolarHBondContact OD2-NH1 3.46Å; D286-R395 IonicContact OD2-NH2 3.41Å; D286-R395 PolarHBondContact OD2-NH2 2.89Å; T391-R395 WeakPolarHBondContact O-CB 3.49Å; T391-R395 PolarHBondContact O-N 2.9Å; R392-R395 PolarHBondContact O-N 3.27Å; R395-R399 WeakPolarHBondContact O-CG 3.36Å; R395-R399 PolarHBondContact O-N 3.04Å
396R83.3Confident87.9Confident19 Ų1932.6 Ų32.67%0.07214%0.138CC..Hα-helixtrans-72.3-44.7178-177.8164.6174-1156.6113.1R392 D393 L394 L398 R399 K400 D654 S656 D657R392-R396 PolarHBondContact O-N 3.41Å; D393-R396 PolarHBondContact O-N 3.23Å; L394-R396 PolarHBondContact O-N 3.18Å; L394-R396 VanDerWaalsContact O-N 3.11Å; R396-L398 PolarHBondContact O-N 2.95Å; R396-R399 PolarHBondContact O-N 3.3Å; R396-R399 VanDerWaalsContact O-N 3.15Å; R396-K400 PolarHBondContact O-N 3.17Å; R396-D654 WeakPolarHBondContact CD-OD2 3.49Å; R396-D654 IonicContact CZ-OD2 2.65Å; R396-D654 IonicContact NE-OD2 3.22Å; R396-D654 PolarHBondContact NE-OD2 2.91Å; R396-D654 VanDerWaalsContact NE-OD2 3.08Å; R396-D654 IonicContact NH1-OD2 3.4Å; R396-D654 PolarHBondContact NH1-OD2 3.43Å; R396-D654 IonicContact NH2-OD2 3.15Å; R396-S656 PolarHBondContact NH1-OG 2.74Å; R396-S656 VanDerWaalsContact NH2-CB 3.26Å; R396-S656 PolarHBondContact NH2-O 3.46Å; R396-S656 PolarHBondContact NH2-OG 3.33Å; R396-D657 IonicContact CZ-OD1 3.95Å; R396-D657 IonicContact NH2-OD1 3.85Å; R396-D657 PolarHBondContact NH2-OD1 2.91Å; R396-D657 VanDerWaalsContact NH2-OD1 3.14Å
397Q87.4Confident88.3Confident28 Ų2826.4 Ų26.413%0.13112%0.115CC..Hα-helixtrans-59.3-36.8173.4-69.7-57.7-29.100111.4I333 E336 D393 L394 K400 A401I333-Q397 HydrophobicContact CG1-CB 4.27Å; E336-Q397 HydrophobicContact CG-CG 3.92Å; D393-Q397 PolarHBondContact O-N 3.02Å; L394-Q397 PolarHBondContact O-N 3.36Å; L394-Q397 VanDerWaalsContact O-N 3.09Å; Q397-K400 PolarHBondContact O-N 2.86Å; Q397-A401 WeakPolarHBondContact O-CB 3.3Å; Q397-A401 PolarHBondContact O-N 3.36Å
398L93.1Very high88.2Confident1 Ų129.2 Ų29.21%0.00513%0.13CC..Hα-helixtrans-63.3-45.2174.4-64.5174.2000112L278 L282 A316 M319 I333 L394 R396 A401 V402 I456L278-L398 HydrophobicContact CD2-CD1 3.82Å; L278-L398 HydrophobicContact CG-CD1 4.37Å; L282-L398 HydrophobicContact CD1-CD1 4.01Å; A316-L398 HydrophobicContact CB-CD1 4.48Å; A316-L398 HydrophobicContact CB-CD2 3.64Å; M319-L398 HydrophobicContact CE-CB 3.41Å; M319-L398 VanDerWaalsContact CE-CB 3.41Å; M319-L398 HydrophobicContact CE-CD2 3.09Å; M319-L398 HydrophobicContact CE-CG 3.77Å; M319-L398 VanDerWaalsContact CE-O 3.29Å; M319-L398 WeakPolarHBondContact CE-O 3.27Å; I333-L398 HydrophobicContact CG2-CD2 4.16Å; L394-L398 HydrophobicContact CD1-CD1 4.27Å; L394-L398 HydrophobicContact CD1-CD2 4.29Å; L394-L398 HydrophobicContact CD1-CG 4.11Å; L394-L398 HydrophobicContact CG-CD1 3.97Å; L394-L398 HydrophobicContact CG-CG 4.28Å; L394-L398 VanDerWaalsContact O-CG 3.22Å; L394-L398 WeakPolarHBondContact O-CG 2.88Å; L394-L398 PolarHBondContact O-N 3.12Å; R396-L398 PolarHBondContact O-N 2.95Å; L398-A401 PolarHBondContact O-N 2.63Å; L398-V402 PolarHBondContact O-N 3.09Å; L398-I456 HydrophobicContact CB-CG2 4.24Å
399R89Confident88.6Confident73 Ų7327.5 Ų27.528%0.27512%0.121SC..Hα-helixtrans-61.2-45.7174.6-70.3-160.4-55.4-81.11.2112.8R395 R396 A401 V402 M403 I456 D526R395-R399 WeakPolarHBondContact O-CG 3.36Å; R395-R399 PolarHBondContact O-N 3.04Å; R396-R399 PolarHBondContact O-N 3.3Å; R396-R399 VanDerWaalsContact O-N 3.15Å; R399-A401 VanDerWaalsContact C-N 3.3Å; R399-A401 PolarHBondContact O-N 3.47Å; R399-V402 PolarHBondContact O-N 3.23Å; R399-M403 WeakPolarHBondContact O-CG 3.39Å; R399-M403 PolarHBondContact O-N 3.27Å; R399-I456 HydrophobicContact CB-CD1 4.32Å; R399-I456 HydrophobicContact CG-CD1 3.91Å; R399-D526 WeakPolarHBondContact CD-OD2 3.26Å; R399-D526 IonicContact NE-OD2 3.54Å; R399-D526 PolarHBondContact NE-OD2 2.91Å
400K87.3Confident88.8Confident18 Ų1822.7 Ų22.78%0.07810%0.1CC..Hα-helixtrans-63.1-37.2177.8-67.2-171.9177.4-170.20111.8R329 R396 Q397 V402 M403 D404 V530R329-K400 VanDerWaalsContact CZ-CB 3.42Å; R396-K400 PolarHBondContact O-N 3.17Å; Q397-K400 PolarHBondContact O-N 2.86Å; K400-V402 PolarHBondContact O-N 3.09Å; K400-M403 PolarHBondContact O-N 3.37Å; K400-M403 VanDerWaalsContact O-N 3.16Å; K400-D404 PolarHBondContact O-N 2.85Å; K400-V530 HydrophobicContact CB-CG2 4.48Å
401A92.2Very high88.6Confident1 Ų122.4 Ų22.41%0.00810%0.1CC..Hα-helixtrans-61.3-43.517500000112.6M319 R329 I333 Q397 L398 R399 M403 D404 H405M319-A401 HydrophobicContact CE-CB 3.98Å; M319-A401 HydrophobicContact CG-CB 4.18Å; M319-A401 HydrophobicContact SD-CB 3.91Å; R329-A401 HydrophobicContact CG-CB 3.58Å; I333-A401 HydrophobicContact CD1-CB 3.85Å; Q397-A401 WeakPolarHBondContact O-CB 3.3Å; Q397-A401 PolarHBondContact O-N 3.36Å; L398-A401 PolarHBondContact O-N 2.63Å; R399-A401 VanDerWaalsContact C-N 3.3Å; R399-A401 PolarHBondContact O-N 3.47Å; A401-M403 VanDerWaalsContact C-N 3.31Å; A401-M403 PolarHBondContact O-N 2.94Å; A401-D404 WeakPolarHBondContact O-CB 3.35Å; A401-D404 PolarHBondContact O-N 3.42Å; A401-H405 VanDerWaalsContact O-CG 3.32Å; A401-H405 PolarHBondContact O-N 3.23Å
402V93.8Very high88.5Confident0 Ų027.5 Ų27.50%012%0.124CC..Hα-helixtrans-61.5-40.6172.6171.30000111.4M319 L398 R399 K400 D404 H405 V406 L452 A453 I456 T522M319-V402 HydrophobicContact SD-CG2 3.44Å; M319-V402 WeakPolarHBondContact SD-CG2 3.37Å; L398-V402 PolarHBondContact O-N 3.09Å; R399-V402 PolarHBondContact O-N 3.23Å; K400-V402 PolarHBondContact O-N 3.09Å; V402-D404 VanDerWaalsContact C-N 3.34Å; V402-H405 WeakPolarHBondContact O-CB 3.45Å; V402-H405 PolarHBondContact O-N 3.34Å; V402-V406 HydrophobicContact CG1-CG2 4.28Å; V402-V406 WeakPolarHBondContact O-CG2 3.37Å; V402-V406 PolarHBondContact O-N 2.95Å; V402-L452 HydrophobicContact CG2-CB 4.45Å; V402-A453 HydrophobicContact CG1-CB 3.55Å; V402-I456 HydrophobicContact CB-CD1 3.83Å; V402-I456 HydrophobicContact CG1-CD1 4.27Å; V402-I456 HydrophobicContact CG2-CD1 3.44Å; V402-I456 VanDerWaalsContact CG2-CD1 3.44Å; V402-I456 HydrophobicContact CG2-CG1 3.84Å; V402-T522 HydrophobicContact CG1-CG2 4.38Å
403M90.5Very high88.6Confident3 Ų322.6 Ų22.62%0.01511%0.108CC..Hα-helixtrans-65.7-37.4176.1-62.6-48.2127.300112.4R399 K400 A401 H405 V406 S407 T522 D526 F527 V530R399-M403 WeakPolarHBondContact O-CG 3.39Å; R399-M403 PolarHBondContact O-N 3.27Å; K400-M403 PolarHBondContact O-N 3.37Å; K400-M403 VanDerWaalsContact O-N 3.16Å; A401-M403 VanDerWaalsContact C-N 3.31Å; A401-M403 PolarHBondContact O-N 2.94Å; M403-H405 VanDerWaalsContact C-N 3.28Å; M403-H405 PolarHBondContact O-N 2.9Å; M403-V406 PolarHBondContact O-N 3.34Å; M403-S407 WeakPolarHBondContact O-CB 3.37Å; M403-S407 PolarHBondContact O-N 3.43Å; M403-T522 VanDerWaalsContact CE-CB 3.49Å; M403-T522 HydrophobicContact CE-CG2 3.46Å; M403-T522 VanDerWaalsContact CE-CG2 3.46Å; M403-T522 HydrophobicContact SD-CG2 4.13Å; M403-D526 HydrophobicContact CE-CB 4.3Å; M403-D526 HydrophobicContact CG-CB 3.62Å; M403-D526 HydrophobicContact SD-CB 4.2Å; M403-F527 HydrophobicContact SD-CB 4.13Å; M403-V530 HydrophobicContact CB-CB 3.91Å; M403-V530 HydrophobicContact CB-CG1 4.21Å; M403-V530 HydrophobicContact CB-CG2 3.68Å; M403-V530 HydrophobicContact CG-CG2 4.48Å
404D91.1Very high88.8Confident4 Ų423.6 Ų23.62%0.02111%0.113CC..Hα-helixtrans-58.3-46.3173.7-59.2-18.4000109.2R329 K400 A401 V402 S407 D408 V530 H534R329-D404 IonicContact CZ-OD1 3.58Å; R329-D404 IonicContact CZ-OD2 2.82Å; R329-D404 VanDerWaalsContact CZ-OD2 3.29Å; R329-D404 IonicContact NE-OD1 2.98Å; R329-D404 IonicContact NE-OD2 2.71Å; R329-D404 PolarHBondContact NE-OD2 3.45Å; R329-D404 IonicContact NH2-OD1 3.23Å; R329-D404 PolarHBondContact NH2-OD1 2.95Å; R329-D404 IonicContact NH2-OD2 3.23Å; R329-D404 PolarHBondContact NH2-OD2 3.49Å; K400-D404 PolarHBondContact O-N 2.85Å; A401-D404 WeakPolarHBondContact O-CB 3.35Å; A401-D404 PolarHBondContact O-N 3.42Å; V402-D404 VanDerWaalsContact C-N 3.34Å; D404-S407 PolarHBondContact O-N 3.24Å; D404-D408 PolarHBondContact O-N 3.32Å; D404-V530 VanDerWaalsContact OD1-CG1 3.23Å; D404-V530 WeakPolarHBondContact OD1-CG1 3.42Å; D404-H534 IonicContact OD1-NE2 2.95Å
405H92.4Very high88.8Confident1 Ų126.8 Ų26.81%0.00513%0.132CC..Hα-helixtrans-60.4-47.3176.4-65.6161.2000113.5C324 T325 A401 V402 M403 S407 S409 V449 L452C324-H405 VanDerWaalsContact C-CD2 3.41Å; C324-H405 VanDerWaalsContact C-NE2 3.35Å; C324-H405 VanDerWaalsContact CB-CD2 3.48Å; C324-H405 WeakPolarHBondContact CB-CD2 3.44Å; C324-H405 PolarHBondContact O-CD2 2.91Å; C324-H405 PolarHBondContact O-NE2 3.41Å; T325-H405 WeakPolarHBondContact CA-NE2 3.28Å; T325-H405 PolarHBondContact N-NE2 3.23Å; T325-H405 PolarHBondContact OG1-CE1 3.42Å; T325-H405 VanDerWaalsContact OG1-CE1 3.25Å; T325-H405 PolarHBondContact OG1-NE2 3.43Å; A401-H405 VanDerWaalsContact O-CG 3.32Å; A401-H405 PolarHBondContact O-N 3.23Å; V402-H405 WeakPolarHBondContact O-CB 3.45Å; V402-H405 PolarHBondContact O-N 3.34Å; M403-H405 VanDerWaalsContact C-N 3.28Å; M403-H405 PolarHBondContact O-N 2.9Å; H405-S407 VanDerWaalsContact C-N 3.34Å; H405-S409 WeakPolarHBondContact O-CB 3.41Å; H405-S409 PolarHBondContact O-N 2.86Å; H405-S409 PolarHBondContact O-OG 3.01Å; H405-V449 HydrophobicContact CB-CB 4.39Å; H405-V449 HydrophobicContact CB-CG1 3.77Å; H405-V449 HydrophobicContact CB-CG2 4.03Å; H405-L452 WeakPolarHBondContact ND1-CD1 3.32Å
406V91.6Very high89.1Confident1 Ų125.9 Ų25.91%0.00613%0.132CC..Hα-helixtrans-61.9-45.5177.61670000110.1V402 M403 F410 V449 V518 F527V402-V406 HydrophobicContact CG1-CG2 4.28Å; V402-V406 WeakPolarHBondContact O-CG2 3.37Å; V402-V406 PolarHBondContact O-N 2.95Å; M403-V406 PolarHBondContact O-N 3.34Å; V406-F410 HydrophobicContact CB-CD2 4.46Å; V406-F410 HydrophobicContact CG1-CD2 3.85Å; V406-F410 HydrophobicContact CG1-CE2 4.29Å; V406-F410 HydrophobicContact CG2-CE2 4.28Å; V406-F410 VanDerWaalsContact O-CB 3.27Å; V406-F410 WeakPolarHBondContact O-CB 3.12Å; V406-F410 PolarHBondContact O-N 3.1Å; V406-V449 HydrophobicContact CG2-CG1 3.98Å; V406-V518 HydrophobicContact CG2-CG1 3.8Å; V406-F527 HydrophobicContact CG1-CD2 4.49Å
407S88Confident89.8Confident3 Ų325 Ų252%0.02113%0.129CC..Hα-helixtrans-63.4-45.9-179-153.20000110.6M403 D404 H405 L411 H534 R564M403-S407 WeakPolarHBondContact O-CB 3.37Å; M403-S407 PolarHBondContact O-N 3.43Å; D404-S407 PolarHBondContact O-N 3.24Å; H405-S407 VanDerWaalsContact C-N 3.34Å; S407-L411 WeakPolarHBondContact O-CD1 3.28Å; S407-H534 PolarHBondContact OG-ND1 3.08Å; S407-R564 VanDerWaalsContact CB-NH1 3.35Å; S407-R564 PolarHBondContact O-NH1 3.27Å; S407-R564 PolarHBondContact OG-NH1 3Å
408D88.4Confident90.2Very high59 Ų5927.8 Ų27.832%0.31614%0.144SC..Hα-helixtrans-83.1-36.3-175.1-65.6-21000113.6D404 H534 R564D404-D408 PolarHBondContact O-N 3.32Å; D408-H534 IonicContact OD1-CE1 3.81Å; D408-H534 PolarHBondContact OD1-CE1 2.86Å; D408-H534 IonicContact OD1-ND1 3.81Å; D408-H534 PolarHBondContact OD1-ND1 3.35Å; D408-H534 IonicContact OD2-CE1 3.56Å; D408-R564 IonicContact OD1-CZ 3.79Å; D408-R564 IonicContact OD1-NH1 3.09Å; D408-R564 PolarHBondContact OD1-NH1 3.25Å; D408-R564 IonicContact OD1-NH2 3.77Å; D408-R564 PolarHBondContact OD1-NH2 3.41Å; D408-R564 VanDerWaalsContact OD1-NH2 3.12Å
409S88.6Confident90.3Very high19 Ų1930.5 Ų30.513%0.13316%0.16CC..Hα-helixtrans-83.4-26.1-174.3-54.60000113.5H405 L446 V449H405-S409 WeakPolarHBondContact O-CB 3.41Å; H405-S409 PolarHBondContact O-N 2.86Å; H405-S409 PolarHBondContact O-OG 3.01Å; S409-L446 WeakPolarHBondContact O-CD2 3.21Å; S409-V449 WeakPolarHBondContact OG-CG2 3.33Å
410F86.8Confident90.8Very high10 Ų1027 Ų274%0.04415%0.147CC..THydrogen-bonded Turntrans-97.211.8-177.9-61.5-12.1000113.9V406 T413 L446 V449 T515 V518V406-F410 HydrophobicContact CB-CD2 4.46Å; V406-F410 HydrophobicContact CG1-CD2 3.85Å; V406-F410 HydrophobicContact CG1-CE2 4.29Å; V406-F410 HydrophobicContact CG2-CE2 4.28Å; V406-F410 VanDerWaalsContact O-CB 3.27Å; V406-F410 WeakPolarHBondContact O-CB 3.12Å; V406-F410 PolarHBondContact O-N 3.1Å; F410-T413 HydrophobicContact CB-CG2 4.43Å; F410-L446 HydrophobicContact CD1-CD2 3.44Å; F410-L446 VanDerWaalsContact CD1-CD2 3.44Å; F410-L446 HydrophobicContact CE1-CB 4.36Å; F410-L446 HydrophobicContact CE1-CD2 3.59Å; F410-V449 HydrophobicContact CE1-CB 4.34Å; F410-V449 HydrophobicContact CE1-CG1 4.1Å; F410-V449 HydrophobicContact CZ-CB 4.48Å; F410-V449 HydrophobicContact CZ-CG1 3.96Å; F410-T515 HydrophobicContact CB-CG2 4.2Å; F410-T515 HydrophobicContact CD1-CG2 4.16Å; F410-T515 HydrophobicContact CD2-CG2 3.71Å; F410-T515 HydrophobicContact CE1-CG2 4.46Å; F410-T515 HydrophobicContact CE2-CG2 4.03Å; F410-T515 HydrophobicContact CG-CG2 3.79Å; F410-T515 HydrophobicContact CZ-CG2 4.4Å; F410-V518 HydrophobicContact CE2-CB 3.88Å; F410-V518 HydrophobicContact CE2-CG1 3.78Å; F410-V518 HydrophobicContact CE2-CG2 4.18Å; F410-V518 HydrophobicContact CZ-CB 4.42Å; F410-V518 HydrophobicContact CZ-CG1 4.37Å; F410-V518 HydrophobicContact CZ-CG2 4.22Å
411L83.6Confident91.2Very high37 Ų3726.4 Ų26.419%0.19415%0.145CC..SBendtrans-72.8-56.1178.7-124.581.2000112.5S407 A560 R564S407-L411 WeakPolarHBondContact O-CD1 3.28Å; L411-A560 HydrophobicContact CD2-CB 4.17Å; L411-A560 WeakPolarHBondContact CD2-O 3.32Å; L411-R564 HydrophobicContact CD1-CB 3.89Å; L411-R564 HydrophobicContact CD1-CG 4.02Å; L411-R564 HydrophobicContact CD2-CB 4.39Å
412E81.4Confident91.5Very high107 Ų10730.9 Ų30.950%0.517%0.165SC..SBendtrans-122.365-173.2-69.5-170.6176.300112.3N414 V415E412-N414 VanDerWaalsContact C-N 3.27Å; E412-N414 PolarHBondContact O-N 2.99Å; E412-V415 HydrophobicContact CB-CG2 3.98Å; E412-V415 HydrophobicContact CG-CG2 4.45Å
413T86.7Confident91.6Very high21 Ų2131.1 Ų31.113%0.12917%0.167CC..THydrogen-bonded Turntrans-72.8-13-169.157.90000115.7F410 H442 L446 V511F410-T413 HydrophobicContact CB-CG2 4.43Å; T413-H442 PolarHBondContact O-NE2 3.43Å; T413-L446 HydrophobicContact CG2-CD2 4.04Å; T413-V511 HydrophobicContact CG2-CG1 3.98Å
414N88.9Confident91.9Very high49 Ų4931 Ų3126%0.26217%0.166SC..THydrogen-bonded Turntrans-112.3-10-173.5-63.2-40.9000114.3E412 L417 L418E412-N414 VanDerWaalsContact C-N 3.27Å; E412-N414 PolarHBondContact O-N 2.99Å; N414-L417 WeakPolarHBondContact O-CB 3.49Å; N414-L417 PolarHBondContact O-N 3.05Å; N414-L417 VanDerWaalsContact O-N 3.11Å; N414-L418 WeakPolarHBondContact O-CG 3.37Å; N414-L418 PolarHBondContact O-N 3.08Å
415V91.9Very high92.1Very high67 Ų6735.7 Ų35.741%0.40619%0.187SC..Hα-helixtrans-59.7-47.7-175.2173.60000112.3E412 L417 L418 V419E412-V415 HydrophobicContact CB-CG2 3.98Å; E412-V415 HydrophobicContact CG-CG2 4.45Å; V415-L417 PolarHBondContact O-N 2.88Å; V415-L418 PolarHBondContact O-N 3.27Å; V415-L418 VanDerWaalsContact O-N 3.13Å; V415-V419 HydrophobicContact CG1-CG2 4.41Å; V415-V419 WeakPolarHBondContact O-CG2 3.38Å; V415-V419 PolarHBondContact O-N 3.23Å; V415-V419 VanDerWaalsContact O-N 3.08Å
416P95.4Very high92.3Very high23 Ų2340.2 Ų40.215%0.14921%0.211CC..Hα-helixtrans-60.3-31.2177-25.736.8000113.6L420 F439 H442P416-L420 VanDerWaalsContact O-CB 3.25Å; P416-L420 WeakPolarHBondContact O-CB 3.43Å; P416-L420 PolarHBondContact O-N 2.9Å; P416-L420 VanDerWaalsContact O-N 3.12Å; P416-F439 HydrophobicContact CB-CB 4.24Å; P416-F439 HydrophobicContact CB-CD2 4.28Å; P416-H442 HydrophobicContact CB-CB 4.48Å; P416-H442 HydrophobicContact CG-CB 4.02Å
417L96.9Very high92.4Very high1 Ų141.4 Ų41.41%0.00522%0.224CC..Hα-helixtrans-69.6-45.2175.7176.761.4000111.5N414 V415 L420 I421 F439 V480 M500 K504 W507N414-L417 WeakPolarHBondContact O-CB 3.49Å; N414-L417 PolarHBondContact O-N 3.05Å; N414-L417 VanDerWaalsContact O-N 3.11Å; V415-L417 PolarHBondContact O-N 2.88Å; L417-L420 WeakPolarHBondContact O-CB 3.12Å; L417-L420 PolarHBondContact O-N 3Å; L417-I421 HydrophobicContact CD1-CD1 3.73Å; L417-I421 HydrophobicContact CD1-CG1 4.01Å; L417-I421 HydrophobicContact CD2-CD1 4.38Å; L417-I421 HydrophobicContact CG-CD1 3.72Å; L417-I421 HydrophobicContact CG-CG1 4.38Å; L417-I421 VanDerWaalsContact O-CG1 3.25Å; L417-I421 WeakPolarHBondContact O-CG1 3.49Å; L417-I421 PolarHBondContact O-N 2.78Å; L417-F439 HydrophobicContact CB-CD2 4.06Å; L417-F439 HydrophobicContact CB-CE2 3.85Å; L417-F439 HydrophobicContact CD1-CE2 4.06Å; L417-F439 HydrophobicContact CD1-CZ 4.34Å; L417-F439 HydrophobicContact CG-CE2 4.45Å; L417-V480 HydrophobicContact CD1-CG1 3.47Å; L417-V480 VanDerWaalsContact CD1-CG1 3.47Å; L417-M500 HydrophobicContact CD1-CE 4.43Å; L417-K504 HydrophobicContact CD2-CG 4.16Å; L417-W507 HydrophobicContact CD2-CB 3.98Å; L417-W507 VanDerWaalsContact CD2-CD1 3.46Å; L417-W507 HydrophobicContact CD2-CG 3.87Å
418L96.2Very high92.7Very high86 Ų8644.4 Ų44.445%0.4524%0.239SC..Hα-helixtrans-63.4-43.2-179.2-66177.5000111.5N414 V415 I421 E422N414-L418 WeakPolarHBondContact O-CG 3.37Å; N414-L418 PolarHBondContact O-N 3.08Å; V415-L418 PolarHBondContact O-N 3.27Å; V415-L418 VanDerWaalsContact O-N 3.13Å; L418-I421 PolarHBondContact O-N 3.41Å; L418-E422 WeakPolarHBondContact O-CB 3.32Å; L418-E422 PolarHBondContact O-N 3.48Å
419V96.4Very high92.9Very high57 Ų5746.1 Ų46.135%0.34525%0.245SC..Hα-helixtrans-62.7-43.6175.6178.10000111.2V415 I421 E422 A423 Y435V415-V419 HydrophobicContact CG1-CG2 4.41Å; V415-V419 WeakPolarHBondContact O-CG2 3.38Å; V415-V419 PolarHBondContact O-N 3.23Å; V415-V419 VanDerWaalsContact O-N 3.08Å; V419-I421 PolarHBondContact O-N 2.92Å; V419-E422 PolarHBondContact O-N 3.49Å; V419-A423 PolarHBondContact O-N 3.01Å; V419-Y435 HydrophobicContact CG1-CD1 3.68Å; V419-Y435 HydrophobicContact CG1-CD2 3.85Å; V419-Y435 HydrophobicContact CG1-CE1 3.58Å; V419-Y435 HydrophobicContact CG1-CE2 3.75Å; V419-Y435 HydrophobicContact CG1-CG 3.83Å
420L97.8Very high93.1Very high0 Ų052.8 Ų52.80%027%0.272CS..Hα-helixtrans-59.4-45175.2172.862.7000112.2P416 L417 A424 V432 A436 F439 A484P416-L420 VanDerWaalsContact O-CB 3.25Å; P416-L420 WeakPolarHBondContact O-CB 3.43Å; P416-L420 PolarHBondContact O-N 2.9Å; P416-L420 VanDerWaalsContact O-N 3.12Å; L417-L420 WeakPolarHBondContact O-CB 3.12Å; L417-L420 PolarHBondContact O-N 3Å; L420-A424 WeakPolarHBondContact O-CB 3.31Å; L420-A424 PolarHBondContact O-N 2.94Å; L420-A424 VanDerWaalsContact O-N 3.1Å; L420-V432 HydrophobicContact CD1-CB 4.34Å; L420-V432 HydrophobicContact CD1-CG1 3.75Å; L420-V432 WeakPolarHBondContact CD1-O 3.43Å; L420-A436 HydrophobicContact CD1-CB 4.12Å; L420-F439 HydrophobicContact CD2-CB 4.15Å; L420-F439 HydrophobicContact CD2-CD1 4.1Å; L420-F439 HydrophobicContact CD2-CG 4.08Å; L420-A484 HydrophobicContact CD1-CB 4Å; L420-A484 HydrophobicContact CD2-CB 4.13Å; L420-A484 HydrophobicContact CG-CB 3.85Å
421I97.2Very high93.6Very high5 Ų555.9 Ų55.93%0.02629%0.287CS..Hα-helixtrans-67.1-39.4179.4-69.1169.8000110.7L417 L418 V419 A424 K425 M500 K504L417-I421 HydrophobicContact CD1-CD1 3.73Å; L417-I421 HydrophobicContact CD1-CG1 4.01Å; L417-I421 HydrophobicContact CD2-CD1 4.38Å; L417-I421 HydrophobicContact CG-CD1 3.72Å; L417-I421 HydrophobicContact CG-CG1 4.38Å; L417-I421 VanDerWaalsContact O-CG1 3.25Å; L417-I421 WeakPolarHBondContact O-CG1 3.49Å; L417-I421 PolarHBondContact O-N 2.78Å; L418-I421 PolarHBondContact O-N 3.41Å; V419-I421 PolarHBondContact O-N 2.92Å; I421-A424 CarbonylContact O-C 3Å; I421-A424 WeakPolarHBondContact O-CB 3.38Å; I421-A424 PolarHBondContact O-N 2.94Å; I421-A424 VanDerWaalsContact O-N 3.17Å; I421-K425 HydrophobicContact CG2-CD 4.2Å; I421-K425 HydrophobicContact CG2-CG 4.35Å; I421-K425 WeakPolarHBondContact O-CG 3.26Å; I421-K425 PolarHBondContact O-N 2.87Å; I421-M500 HydrophobicContact CD1-CE 3.85Å; I421-M500 HydrophobicContact CG1-CE 3.75Å; I421-M500 HydrophobicContact CG1-CG 4.17Å; I421-M500 HydrophobicContact CG1-SD 4.19Å; I421-M500 HydrophobicContact CG2-CG 4.38Å; I421-K504 HydrophobicContact CD1-CB 3.9Å; I421-K504 HydrophobicContact CD1-CD 3.89Å; I421-K504 HydrophobicContact CD1-CG 3.84Å
422E97.1Very high94.2Very high96 Ų9654.1 Ų54.145%0.44928%0.277SS..Hα-helixtrans-65.8-44.6179.9-17054.6-146.700111.5L418 V419 A424 K425 N426L418-E422 WeakPolarHBondContact O-CB 3.32Å; L418-E422 PolarHBondContact O-N 3.48Å; V419-E422 PolarHBondContact O-N 3.49Å; E422-A424 PolarHBondContact O-N 3.29Å; E422-K425 PolarHBondContact O-N 3.44Å; E422-N426 PolarHBondContact O-N 2.95Å; E422-N426 PolarHBondContact O-ND2 2.73Å; E422-N426 PolarHBondContact OE1-ND2 3.43Å
423A96.9Very high94.8Very high4 Ų455 Ų553%0.03328%0.28CS..Hα-helixtrans-58-37.6171.200000112.1V419 N426 G427 N428 E431 V432 Y435V419-A423 PolarHBondContact O-N 3.01Å; A423-N426 PolarHBondContact O-N 2.83Å; A423-G427 PolarHBondContact O-N 3.02Å; A423-N428 PolarHBondContact O-N 3.29Å; A423-N428 VanDerWaalsContact O-N 3.07Å; A423-E431 HydrophobicContact CB-CB 3.97Å; A423-V432 HydrophobicContact CB-CG2 3.77Å; A423-Y435 HydrophobicContact CB-CD2 3.79Å; A423-Y435 HydrophobicContact CB-CE2 4.12Å
424A96.7Very high95.2Very high0 Ų058.9 Ų58.90%030%0.296CS..Hα-helixtrans-68.8-41.4176.900000113L420 I421 E422 N426 G427 V432 A484 L487 A488L420-A424 WeakPolarHBondContact O-CB 3.31Å; L420-A424 PolarHBondContact O-N 2.94Å; L420-A424 VanDerWaalsContact O-N 3.1Å; I421-A424 CarbonylContact O-C 3Å; I421-A424 WeakPolarHBondContact O-CB 3.38Å; I421-A424 PolarHBondContact O-N 2.94Å; I421-A424 VanDerWaalsContact O-N 3.17Å; E422-A424 PolarHBondContact O-N 3.29Å; A424-N426 PolarHBondContact O-N 3.38Å; A424-G427 PolarHBondContact O-N 3.07Å; A424-V432 HydrophobicContact CB-CG2 3.8Å; A424-V432 VanDerWaalsContact N-CG2 3.33Å; A424-A484 HydrophobicContact CB-CB 4.19Å; A424-A484 VanDerWaalsContact CB-O 3.31Å; A424-A484 WeakPolarHBondContact CB-O 3.38Å; A424-L487 HydrophobicContact CB-CB 4.19Å; A424-L487 HydrophobicContact CB-CD2 3.98Å; A424-L487 HydrophobicContact CB-CG 4.12Å; A424-A488 HydrophobicContact CB-CB 4.39Å; A424-A488 WeakPolarHBondContact O-CA 3.38Å
425K96.2Very high95.6Very high104 Ų10460.7 Ų60.745%0.45230%0.3SS..Hα-helixtrans-61.9-34.3174.7-75.6176.4177.21760112.1I421 E422 G427 L487 P491I421-K425 HydrophobicContact CG2-CD 4.2Å; I421-K425 HydrophobicContact CG2-CG 4.35Å; I421-K425 WeakPolarHBondContact O-CG 3.26Å; I421-K425 PolarHBondContact O-N 2.87Å; E422-K425 PolarHBondContact O-N 3.44Å; K425-G427 PolarHBondContact O-N 2.83Å; K425-L487 HydrophobicContact CG-CD2 4.07Å; K425-P491 VanDerWaalsContact O-CB 3.28Å; K425-P491 WeakPolarHBondContact O-CB 3.46Å
426N96.1Very high95.8Very high96 Ų9657.8 Ų57.851%0.51328%0.283SS..THydrogen-bonded Turntrans-77.1-6.4176.2-68-40.5000113.6E422 A423 A424 N428E422-N426 PolarHBondContact O-N 2.95Å; E422-N426 PolarHBondContact O-ND2 2.73Å; E422-N426 PolarHBondContact OE1-ND2 3.43Å; A423-N426 PolarHBondContact O-N 2.83Å; A424-N426 PolarHBondContact O-N 3.38Å; N426-N428 VanDerWaalsContact C-N 3.29Å; N426-N428 PolarHBondContact O-N 3.14Å
427G94.1Very high95.9Very high26 Ų2660.7 Ų60.727%0.26829%0.294SS..THydrogen-bonded Turntrans75.415.3-179.500000114.1A423 A424 K425 E429 A488A423-G427 PolarHBondContact O-N 3.02Å; A424-G427 PolarHBondContact O-N 3.07Å; K425-G427 PolarHBondContact O-N 2.83Å; G427-E429 PolarHBondContact O-N 3Å; G427-E429 VanDerWaalsContact O-N 3.07Å; G427-A488 WeakPolarHBondContact CA-O 3.14Å
428N94.4Very high95.9Very high65 Ų6564.1 Ų64.135%0.34832%0.316SS..  trans-8578.6-174.8-67.8-17.3000111A423 N426 K430 E431 V432A423-N428 PolarHBondContact O-N 3.29Å; A423-N428 VanDerWaalsContact O-N 3.07Å; N426-N428 VanDerWaalsContact C-N 3.29Å; N426-N428 PolarHBondContact O-N 3.14Å; N428-K430 PolarHBondContact O-N 3.08Å; N428-K430 VanDerWaalsContact O-N 3.08Å; N428-E431 HydrophobicContact CB-CB 3.97Å; N428-E431 HydrophobicContact CB-CG 4.18Å; N428-E431 WeakPolarHBondContact CB-OE2 3.45Å; N428-E431 PolarHBondContact ND2-OE2 2.76Å; N428-E431 PolarHBondContact O-N 2.63Å; N428-E431 VanDerWaalsContact O-N 3.17Å; N428-V432 WeakPolarHBondContact O-CG2 3.26Å; N428-V432 PolarHBondContact O-N 2.9Å
429E91.4Very high95.9Very high96 Ų9660.1 Ų60.145%0.44929%0.294SS..Hα-helixtrans-54.9-32.3-176.1-73.6-169.2-162.100114.8G427 K433 A488G427-E429 PolarHBondContact O-N 3Å; G427-E429 VanDerWaalsContact O-N 3.07Å; E429-K433 WeakPolarHBondContact O-CG 3.36Å; E429-K433 PolarHBondContact O-N 3.46Å; E429-A488 HydrophobicContact CG-CB 3.97Å
430K93.8Very high96Very high158 Ų15862.1 Ų62.169%0.68730%0.296SS*.Hα-helixtrans-70-50.3178.7-171.2-171.4174.5-155.30111.2N428 V432 K433 E434N428-K430 PolarHBondContact O-N 3.08Å; N428-K430 VanDerWaalsContact O-N 3.08Å; K430-V432 VanDerWaalsContact C-N 3.29Å; K430-V432 PolarHBondContact O-N 2.83Å; K430-K433 WeakPolarHBondContact O-CB 3.31Å; K430-K433 PolarHBondContact O-N 2.96Å; K430-K433 VanDerWaalsContact O-N 3.11Å; K430-E434 VanDerWaalsContact CE-OE1 3.24Å; K430-E434 WeakPolarHBondContact CE-OE1 3.19Å; K430-E434 IonicContact NZ-OE1 3.59Å; K430-E434 PolarHBondContact O-N 3.04Å
431E95.8Very high95.9Very high76 Ų7666.5 Ų66.536%0.35532%0.316SS..Hα-helixtrans-61.3-39.5177.4-71.5178.6175.500111.2A423 N428 K433 E434 Y435A423-E431 HydrophobicContact CB-CB 3.97Å; N428-E431 HydrophobicContact CB-CB 3.97Å; N428-E431 HydrophobicContact CB-CG 4.18Å; N428-E431 WeakPolarHBondContact CB-OE2 3.45Å; N428-E431 PolarHBondContact ND2-OE2 2.76Å; N428-E431 PolarHBondContact O-N 2.63Å; N428-E431 VanDerWaalsContact O-N 3.17Å; E431-K433 VanDerWaalsContact C-N 3.27Å; E431-K433 PolarHBondContact O-N 3.31Å; E431-E434 PolarHBondContact O-N 3.46Å; E431-E434 VanDerWaalsContact O-N 3.13Å; E431-Y435 HydrophobicContact CB-CD2 4.09Å; E431-Y435 HydrophobicContact CB-CE2 3.96Å; E431-Y435 WeakPolarHBondContact O-CB 3.16Å; E431-Y435 WeakPolarHBondContact O-CD2 3.37Å; E431-Y435 PolarHBondContact O-N 3.35Å
432V96.1Very high95.7Very high0 Ų067.7 Ų67.70%032%0.322CS..Hα-helixtrans-58.8-38.1175170.90000112L420 A423 A424 N428 K430 A436 A484 L485 A488L420-V432 HydrophobicContact CD1-CB 4.34Å; L420-V432 HydrophobicContact CD1-CG1 3.75Å; L420-V432 WeakPolarHBondContact CD1-O 3.43Å; A423-V432 HydrophobicContact CB-CG2 3.77Å; A424-V432 HydrophobicContact CB-CG2 3.8Å; A424-V432 VanDerWaalsContact N-CG2 3.33Å; N428-V432 WeakPolarHBondContact O-CG2 3.26Å; N428-V432 PolarHBondContact O-N 2.9Å; K430-V432 VanDerWaalsContact C-N 3.29Å; K430-V432 PolarHBondContact O-N 2.83Å; V432-A436 WeakPolarHBondContact O-CA 3.12Å; V432-A436 WeakPolarHBondContact O-CB 3.31Å; V432-A436 PolarHBondContact O-N 3.18Å; V432-A484 HydrophobicContact CG1-CB 4.19Å; V432-L485 HydrophobicContact CG1-CD2 3.68Å; V432-L485 HydrophobicContact CG1-CG 4.05Å; V432-A488 HydrophobicContact CB-CB 4.41Å; V432-A488 HydrophobicContact CG2-CB 3.92Å
433K94.1Very high95.7Very high126 Ų12663.1 Ų63.155%0.54830%0.3SS..Hα-helixtrans-69.1-38.2176.5-71.8172.5-173.6169.40112.3E429 K430 E431 Q437 L485E429-K433 WeakPolarHBondContact O-CG 3.36Å; E429-K433 PolarHBondContact O-N 3.46Å; K430-K433 WeakPolarHBondContact O-CB 3.31Å; K430-K433 PolarHBondContact O-N 2.96Å; K430-K433 VanDerWaalsContact O-N 3.11Å; E431-K433 VanDerWaalsContact C-N 3.27Å; E431-K433 PolarHBondContact O-N 3.31Å; K433-Q437 PolarHBondContact O-N 3.25Å; K433-L485 HydrophobicContact CG-CD2 3.82Å
434E95.9Very high95.6Very high101 Ų10166.9 Ų66.947%0.47232%0.32SS..Hα-helixtrans-66.7-51.3176.8-68.1172.6-172.400110.4K430 E431 A436 Q437 V438K430-E434 VanDerWaalsContact CE-OE1 3.24Å; K430-E434 WeakPolarHBondContact CE-OE1 3.19Å; K430-E434 IonicContact NZ-OE1 3.59Å; K430-E434 PolarHBondContact O-N 3.04Å; E431-E434 PolarHBondContact O-N 3.46Å; E431-E434 VanDerWaalsContact O-N 3.13Å; E434-A436 VanDerWaalsContact C-N 3.33Å; E434-A436 PolarHBondContact O-N 2.88Å; E434-Q437 WeakPolarHBondContact O-CB 3.27Å; E434-Q437 PolarHBondContact O-N 3.08Å; E434-V438 PolarHBondContact O-N 3.39Å
435Y97.7Very high95.5Very high88 Ų8871.3 Ų71.335%0.34534%0.339SS..Hα-helixtrans-68.5-27.6177.6-65.2-50.1000113.6V419 A423 E431 Q437 V438 F439V419-Y435 HydrophobicContact CG1-CD1 3.68Å; V419-Y435 HydrophobicContact CG1-CD2 3.85Å; V419-Y435 HydrophobicContact CG1-CE1 3.58Å; V419-Y435 HydrophobicContact CG1-CE2 3.75Å; V419-Y435 HydrophobicContact CG1-CG 3.83Å; A423-Y435 HydrophobicContact CB-CD2 3.79Å; A423-Y435 HydrophobicContact CB-CE2 4.12Å; E431-Y435 HydrophobicContact CB-CD2 4.09Å; E431-Y435 HydrophobicContact CB-CE2 3.96Å; E431-Y435 WeakPolarHBondContact O-CB 3.16Å; E431-Y435 WeakPolarHBondContact O-CD2 3.37Å; E431-Y435 PolarHBondContact O-N 3.35Å; Y435-Q437 VanDerWaalsContact C-N 3.25Å; Y435-Q437 PolarHBondContact O-N 2.96Å; Y435-V438 PolarHBondContact O-N 2.96Å; Y435-F439 WeakPolarHBondContact O-CB 3.49Å; Y435-F439 PolarHBondContact O-N 3.48Å
436A96.8Very high95.5Very high6 Ų666.4 Ų66.45%0.0532%0.318CS..Hα-helixtrans-63.2-33.8173.200000112.1L420 V432 E434 R440 I481L420-A436 HydrophobicContact CD1-CB 4.12Å; V432-A436 WeakPolarHBondContact O-CA 3.12Å; V432-A436 WeakPolarHBondContact O-CB 3.31Å; V432-A436 PolarHBondContact O-N 3.18Å; E434-A436 VanDerWaalsContact C-N 3.33Å; E434-A436 PolarHBondContact O-N 2.88Å; A436-R440 WeakPolarHBondContact O-CB 3.42Å; A436-R440 PolarHBondContact O-N 3.5Å; A436-I481 HydrophobicContact CB-CB 4.46Å; A436-I481 HydrophobicContact CB-CD1 4.31Å; A436-I481 HydrophobicContact CB-CG1 4.08Å; A436-I481 HydrophobicContact CB-CG2 3.66Å
437Q96.4Very high95.4Very high83 Ų8362.7 Ų62.739%0.38830%0.298SS..Hα-helixtrans-70.3-44.2175.2-17659.92300110.8K433 E434 Y435 F439 R440 E441K433-Q437 PolarHBondContact O-N 3.25Å; E434-Q437 WeakPolarHBondContact O-CB 3.27Å; E434-Q437 PolarHBondContact O-N 3.08Å; Y435-Q437 VanDerWaalsContact C-N 3.25Å; Y435-Q437 PolarHBondContact O-N 2.96Å; Q437-F439 VanDerWaalsContact C-N 3.35Å; Q437-F439 PolarHBondContact O-N 3.41Å; Q437-R440 PolarHBondContact O-N 3.26Å; Q437-E441 WeakPolarHBondContact CG-OE1 3.42Å; Q437-E441 PolarHBondContact NE2-OE1 3.02Å; Q437-E441 WeakPolarHBondContact O-CG 3.34Å; Q437-E441 PolarHBondContact O-N 2.73Å
438V96.5Very high95.5Very high74 Ų7464.6 Ų64.645%0.44830%0.3SS..Hα-helixtrans-59-45.8174.5179.50000111.2E434 Y435 R440 E441 H442E434-V438 PolarHBondContact O-N 3.39Å; Y435-V438 PolarHBondContact O-N 2.96Å; V438-R440 PolarHBondContact O-N 3.35Å; V438-E441 PolarHBondContact O-N 3.34Å; V438-H442 WeakPolarHBondContact O-CB 3.46Å; V438-H442 PolarHBondContact O-N 3.12Å
439F97.4Very high95.5Very high1 Ų161.5 Ų61.50%0.00428%0.283CS..Hα-helixtrans-60.8-43.2176.2171.7-104000112.2P416 L417 L420 Y435 Q437 H442 A443 V480 I481 W507P416-F439 HydrophobicContact CB-CB 4.24Å; P416-F439 HydrophobicContact CB-CD2 4.28Å; L417-F439 HydrophobicContact CB-CD2 4.06Å; L417-F439 HydrophobicContact CB-CE2 3.85Å; L417-F439 HydrophobicContact CD1-CE2 4.06Å; L417-F439 HydrophobicContact CD1-CZ 4.34Å; L417-F439 HydrophobicContact CG-CE2 4.45Å; L420-F439 HydrophobicContact CD2-CB 4.15Å; L420-F439 HydrophobicContact CD2-CD1 4.1Å; L420-F439 HydrophobicContact CD2-CG 4.08Å; Y435-F439 WeakPolarHBondContact O-CB 3.49Å; Y435-F439 PolarHBondContact O-N 3.48Å; Q437-F439 VanDerWaalsContact C-N 3.35Å; Q437-F439 PolarHBondContact O-N 3.41Å; F439-H442 PolarHBondContact O-N 3.22Å; F439-A443 WeakPolarHBondContact O-CB 3.31Å; F439-A443 PolarHBondContact O-N 3.04Å; F439-V480 HydrophobicContact CE1-CB 4.08Å; F439-V480 HydrophobicContact CE1-CG1 3.98Å; F439-V480 HydrophobicContact CZ-CB 4.21Å; F439-V480 HydrophobicContact CZ-CG1 3.87Å; F439-I481 HydrophobicContact CD1-CD1 4.1Å; F439-I481 HydrophobicContact CD1-CG1 3.79Å; F439-I481 HydrophobicContact CE1-CG1 4.13Å; F439-W507 HydrophobicContact CE1-CH2 4.29Å; F439-W507 HydrophobicContact CE1-CZ2 4.44Å; F439-W507 HydrophobicContact CE1-CZ3 4.35Å; F439-W507 AromaticContact CE2-CD2 3.95Å; F439-W507 HydrophobicContact CE2-CD2 3.95Å; F439-W507 AromaticContact CE2-CE2 3.4Å; F439-W507 HydrophobicContact CE2-CG 4.46Å; F439-W507 HydrophobicContact CE2-CH2 4.16Å; F439-W507 AromaticContact CE2-CZ2 3.52Å; F439-W507 HydrophobicContact CE2-CZ2 3.52Å; F439-W507 AromaticContact CE2-NE1 3.63Å; F439-W507 AromaticContact CZ-CD2 3.54Å; F439-W507 HydrophobicContact CZ-CD2 3.54Å; F439-W507 AromaticContact CZ-CE2 3.4Å; F439-W507 VanDerWaalsContact CZ-CE2 3.4Å; F439-W507 AromaticContact CZ-CE3 3.7Å; F439-W507 HydrophobicContact CZ-CE3 3.7Å; F439-W507 HydrophobicContact CZ-CG 4.28Å; F439-W507 AromaticContact CZ-CH2 3.63Å; F439-W507 HydrophobicContact CZ-CH2 3.63Å; F439-W507 AromaticContact CZ-CZ2 3.45Å; F439-W507 HydrophobicContact CZ-CZ2 3.45Å; F439-W507 VanDerWaalsContact CZ-CZ2 3.45Å; F439-W507 AromaticContact CZ-CZ3 3.75Å; F439-W507 HydrophobicContact CZ-CZ3 3.75Å
440R97.3Very high95.6Very high99 Ų9956.9 Ų56.937%0.37426%0.262SS..Hα-helixtrans-65.2-43.3176.7-176.7-176.6-65.1152.9-1112.1A436 Q437 V438 H442 A443 N444 I481A436-R440 WeakPolarHBondContact O-CB 3.42Å; A436-R440 PolarHBondContact O-N 3.5Å; Q437-R440 PolarHBondContact O-N 3.26Å; V438-R440 PolarHBondContact O-N 3.35Å; R440-H442 VanDerWaalsContact C-N 3.32Å; R440-H442 PolarHBondContact O-N 3.41Å; R440-A443 WeakPolarHBondContact O-CB 3.42Å; R440-A443 PolarHBondContact O-N 2.82Å; R440-N444 WeakPolarHBondContact O-CB 3.43Å; R440-N444 VanDerWaalsContact O-CG 3.25Å; R440-N444 PolarHBondContact O-N 3.12Å; R440-I481 HydrophobicContact CB-CD1 4.2Å
441E95.3Very high95.6Very high92 Ų9252.7 Ų52.743%0.4325%0.246SC..Hα-helixtrans-62.2-42.1176.7-75.1171.4-165.400111Q437 V438 N444 K445Q437-E441 WeakPolarHBondContact CG-OE1 3.42Å; Q437-E441 PolarHBondContact NE2-OE1 3.02Å; Q437-E441 WeakPolarHBondContact O-CG 3.34Å; Q437-E441 PolarHBondContact O-N 2.73Å; V438-E441 PolarHBondContact O-N 3.34Å; E441-N444 PolarHBondContact O-N 3Å; E441-K445 WeakPolarHBondContact O-CG 3.24Å; E441-K445 PolarHBondContact O-N 2.89Å
442H94.6Very high95.5Very high31 Ų3150 Ų5014%0.14424%0.235CC..Hα-helixtrans-62.8-44.9173.5-177.164.5000112.3T413 P416 V438 F439 R440 N444 K445 L446T413-H442 PolarHBondContact O-NE2 3.43Å; P416-H442 HydrophobicContact CB-CB 4.48Å; P416-H442 HydrophobicContact CG-CB 4.02Å; V438-H442 WeakPolarHBondContact O-CB 3.46Å; V438-H442 PolarHBondContact O-N 3.12Å; F439-H442 PolarHBondContact O-N 3.22Å; R440-H442 VanDerWaalsContact C-N 3.32Å; R440-H442 PolarHBondContact O-N 3.41Å; H442-N444 VanDerWaalsContact C-N 3.3Å; H442-N444 PolarHBondContact O-N 2.95Å; H442-K445 WeakPolarHBondContact O-CB 3.46Å; H442-K445 PolarHBondContact O-N 3.21Å; H442-K445 VanDerWaalsContact O-N 3.13Å; H442-L446 WeakPolarHBondContact O-CG 3.4Å; H442-L446 PolarHBondContact O-N 3.38Å
443A96.3Very high95.4Very high0 Ų050.1 Ų50.10%024%0.236CC..Hα-helixtrans-56.8-43.5174.200000112.6F439 R440 K445 L446 I447 C477 W507F439-A443 WeakPolarHBondContact O-CB 3.31Å; F439-A443 PolarHBondContact O-N 3.04Å; R440-A443 WeakPolarHBondContact O-CB 3.42Å; R440-A443 PolarHBondContact O-N 2.82Å; A443-K445 VanDerWaalsContact C-N 3.34Å; A443-L446 PolarHBondContact O-N 3.35Å; A443-I447 WeakPolarHBondContact O-CD1 3.19Å; A443-I447 WeakPolarHBondContact O-CG1 3.33Å; A443-I447 PolarHBondContact O-N 3.17Å; A443-I447 VanDerWaalsContact O-N 3.08Å; A443-C477 HydrophobicContact CB-CB 4.43Å; A443-W507 HydrophobicContact CB-CH2 3.52Å; A443-W507 HydrophobicContact CB-CZ2 3.98Å
444N95.3Very high95.4Very high82 Ų8244.1 Ų44.144%0.43921%0.209SC..Hα-helixtrans-64.3-38.5176.8-70.8-14.9000111.7R440 E441 H442 I447 E448R440-N444 WeakPolarHBondContact O-CB 3.43Å; R440-N444 VanDerWaalsContact O-CG 3.25Å; R440-N444 PolarHBondContact O-N 3.12Å; E441-N444 PolarHBondContact O-N 3Å; H442-N444 VanDerWaalsContact C-N 3.3Å; H442-N444 PolarHBondContact O-N 2.95Å; N444-I447 PolarHBondContact O-N 2.82Å; N444-E448 WeakPolarHBondContact O-CB 3.48Å; N444-E448 PolarHBondContact O-N 3.35Å
445K94.4Very high95.1Very high93 Ų9340.6 Ų40.640%0.40420%0.196SC..Hα-helixtrans-61.4-44.7173.2-71.5175.2-176.6-178.20111.8E441 H442 A443 I447 E448 V449E441-K445 WeakPolarHBondContact O-CG 3.24Å; E441-K445 PolarHBondContact O-N 2.89Å; H442-K445 WeakPolarHBondContact O-CB 3.46Å; H442-K445 PolarHBondContact O-N 3.21Å; H442-K445 VanDerWaalsContact O-N 3.13Å; A443-K445 VanDerWaalsContact C-N 3.34Å; K445-I447 VanDerWaalsContact C-N 3.29Å; K445-I447 PolarHBondContact O-N 3.33Å; K445-E448 PolarHBondContact O-N 2.94Å; K445-V449 WeakPolarHBondContact O-CG2 3.34Å; K445-V449 PolarHBondContact O-N 3.39Å
446L95.6Very high94.8Very high1 Ų137.4 Ų37.41%0.00518%0.184CC..Hα-helixtrans-58.1-42.8175.9-63.3175.2000111.7S409 F410 T413 H442 A443 A450 L473 V511 L514S409-L446 WeakPolarHBondContact O-CD2 3.21Å; F410-L446 HydrophobicContact CD1-CD2 3.44Å; F410-L446 VanDerWaalsContact CD1-CD2 3.44Å; F410-L446 HydrophobicContact CE1-CB 4.36Å; F410-L446 HydrophobicContact CE1-CD2 3.59Å; T413-L446 HydrophobicContact CG2-CD2 4.04Å; H442-L446 WeakPolarHBondContact O-CG 3.4Å; H442-L446 PolarHBondContact O-N 3.38Å; A443-L446 PolarHBondContact O-N 3.35Å; L446-A450 WeakPolarHBondContact O-CB 3.37Å; L446-A450 PolarHBondContact O-N 3.44Å; L446-A450 VanDerWaalsContact O-N 3.11Å; L446-L473 HydrophobicContact CB-CD2 4.45Å; L446-L473 HydrophobicContact CD1-CD2 4.4Å; L446-V511 HydrophobicContact CD1-CG2 4.36Å; L446-L514 HydrophobicContact CB-CD2 4.44Å
447I95.4Very high94.3Very high19 Ų1937.7 Ų37.710%0.09719%0.186CC..Hα-helixtrans-67.9-41177.5-68.1160.8000111.4A443 N444 K445 A450 N451 A470 L473 E474A443-I447 WeakPolarHBondContact O-CD1 3.19Å; A443-I447 WeakPolarHBondContact O-CG1 3.33Å; A443-I447 PolarHBondContact O-N 3.17Å; A443-I447 VanDerWaalsContact O-N 3.08Å; N444-I447 PolarHBondContact O-N 2.82Å; K445-I447 VanDerWaalsContact C-N 3.29Å; K445-I447 PolarHBondContact O-N 3.33Å; I447-A450 PolarHBondContact O-N 2.85Å; I447-N451 WeakPolarHBondContact CG2-ND2 3.11Å; I447-N451 PolarHBondContact O-N 3.46Å; I447-N451 PolarHBondContact O-ND2 2.81Å; I447-A470 HydrophobicContact CG1-CB 4.43Å; I447-A470 HydrophobicContact CG2-CB 4.28Å; I447-L473 HydrophobicContact CG1-CD2 4.41Å; I447-E474 HydrophobicContact CD1-CB 3.77Å; I447-E474 HydrophobicContact CD1-CG 4.35Å
448E94.2Very high93.6Very high65 Ų6538 Ų3830%0.30419%0.19SC..Hα-helixtrans-60.1-51.1176.7-173.8-176.416200110.8S322 N444 K445 A450 N451 L452S322-E448 WeakPolarHBondContact CB-OE1 3.46Å; S322-E448 PolarHBondContact OG-OE1 2.87Å; N444-E448 WeakPolarHBondContact O-CB 3.48Å; N444-E448 PolarHBondContact O-N 3.35Å; K445-E448 PolarHBondContact O-N 2.94Å; E448-A450 VanDerWaalsContact C-N 3.31Å; E448-A450 PolarHBondContact O-N 3.1Å; E448-N451 PolarHBondContact O-N 2.74Å; E448-N451 VanDerWaalsContact O-N 3.11Å; E448-L452 HydrophobicContact CG-CD1 4.25Å; E448-L452 WeakPolarHBondContact O-CG 3.4Å; E448-L452 PolarHBondContact O-N 3.12Å
449V94.5Very high92.8Very high0 Ų037.7 Ų37.70%019%0.186CC..Hα-helixtrans-56.3-45.7177.1173.80000111H405 V406 S409 F410 K445 N451 L452 A453H405-V449 HydrophobicContact CB-CB 4.39Å; H405-V449 HydrophobicContact CB-CG1 3.77Å; H405-V449 HydrophobicContact CB-CG2 4.03Å; V406-V449 HydrophobicContact CG2-CG1 3.98Å; S409-V449 WeakPolarHBondContact OG-CG2 3.33Å; F410-V449 HydrophobicContact CE1-CB 4.34Å; F410-V449 HydrophobicContact CE1-CG1 4.1Å; F410-V449 HydrophobicContact CZ-CB 4.48Å; F410-V449 HydrophobicContact CZ-CG1 3.96Å; K445-V449 WeakPolarHBondContact O-CG2 3.34Å; K445-V449 PolarHBondContact O-N 3.39Å; V449-N451 VanDerWaalsContact C-N 3.35Å; V449-N451 PolarHBondContact O-N 2.97Å; V449-L452 PolarHBondContact O-N 2.86Å; V449-A453 PolarHBondContact O-N 3.48Å
450A95.4Very high92Very high0 Ų042.7 Ų42.70%021%0.21CC..Hα-helixtrans-61.8-40177.500000112.7L446 I447 E448 A453 C454 V466 L514 V518L446-A450 WeakPolarHBondContact O-CB 3.37Å; L446-A450 PolarHBondContact O-N 3.44Å; L446-A450 VanDerWaalsContact O-N 3.11Å; I447-A450 PolarHBondContact O-N 2.85Å; E448-A450 VanDerWaalsContact C-N 3.31Å; E448-A450 PolarHBondContact O-N 3.1Å; A450-A453 PolarHBondContact O-N 2.9Å; A450-C454 PolarHBondContact O-N 3.38Å; A450-C454 PolarHBondContact O-SG 3.47Å; A450-V466 HydrophobicContact CB-CG1 3.75Å; A450-L514 HydrophobicContact CB-CD1 3.78Å; A450-L514 HydrophobicContact CB-CD2 4.35Å; A450-L514 HydrophobicContact CB-CG 4.33Å; A450-V518 HydrophobicContact CB-CG2 3.79Å
451N93.4Very high91.2Very high69 Ų6942.5 Ų42.537%0.36921%0.213SC..Hα-helixtrans-71.5-35.8177.1-75.4-42.9000112.6I447 E448 V449 C454 S455I447-N451 WeakPolarHBondContact CG2-ND2 3.11Å; I447-N451 PolarHBondContact O-N 3.46Å; I447-N451 PolarHBondContact O-ND2 2.81Å; E448-N451 PolarHBondContact O-N 2.74Å; E448-N451 VanDerWaalsContact O-N 3.11Å; V449-N451 VanDerWaalsContact C-N 3.35Å; V449-N451 PolarHBondContact O-N 2.97Å; N451-C454 WeakPolarHBondContact O-CB 3.35Å; N451-C454 PolarHBondContact O-N 3.26Å; N451-S455 PolarHBondContact O-N 3.22Å
452L93.9Very high90.7Very high21 Ų2138.4 Ų38.411%0.1120%0.195CC..Hα-helixtrans-63-44.5172.6-69.7172.9000110.6M319 V402 H405 E448 V449 C454 S455M319-L452 HydrophobicContact CB-CD2 4.21Å; M319-L452 HydrophobicContact CG-CD2 4.29Å; V402-L452 HydrophobicContact CG2-CB 4.45Å; H405-L452 WeakPolarHBondContact ND1-CD1 3.32Å; E448-L452 HydrophobicContact CG-CD1 4.25Å; E448-L452 WeakPolarHBondContact O-CG 3.4Å; E448-L452 PolarHBondContact O-N 3.12Å; V449-L452 PolarHBondContact O-N 2.86Å; L452-C454 VanDerWaalsContact C-N 3.3Å; L452-C454 PolarHBondContact O-N 3Å; L452-S455 WeakPolarHBondContact O-CB 3.37Å; L452-S455 PolarHBondContact O-N 2.96Å; L452-S455 VanDerWaalsContact O-N 3.09Å; L452-S455 PolarHBondContact O-OG 2.88Å
453A93.9Very high90.4Very high2 Ų236.9 Ų36.92%0.01719%0.188CC..Hα-helixtrans-58.4-41.4172.400000112.4V402 V449 A450 S455 I456 S457 V518 I521 T522V402-A453 HydrophobicContact CG1-CB 3.55Å; V449-A453 PolarHBondContact O-N 3.48Å; A450-A453 PolarHBondContact O-N 2.9Å; A453-S455 VanDerWaalsContact C-N 3.3Å; A453-S455 PolarHBondContact O-N 3.19Å; A453-I456 WeakPolarHBondContact O-CG1 3.41Å; A453-S457 PolarHBondContact O-N 3.04Å; A453-V518 HydrophobicContact CB-CG1 4.02Å; A453-I521 HydrophobicContact CB-CD1 3.94Å; A453-T522 HydrophobicContact CB-CG2 4.43Å
454C92.8Very high89.9Confident0 Ų038.9 Ų38.90%020%0.197CC..Hα-helixtrans-60.3-38.6175.1-71.70000112.8G276 A450 N451 L452 I456 S457 V463 V466G276-C454 WeakPolarHBondContact CA-O 3.33Å; A450-C454 PolarHBondContact O-N 3.38Å; A450-C454 PolarHBondContact O-SG 3.47Å; N451-C454 WeakPolarHBondContact O-CB 3.35Å; N451-C454 PolarHBondContact O-N 3.26Å; L452-C454 VanDerWaalsContact C-N 3.3Å; L452-C454 PolarHBondContact O-N 3Å; C454-I456 VanDerWaalsContact C-N 3.25Å; C454-I456 PolarHBondContact O-N 2.94Å; C454-S457 PolarHBondContact O-N 3.25Å; C454-V463 HydrophobicContact CB-CG1 3.94Å; C454-V463 HydrophobicContact CB-CG2 4.35Å; C454-V466 VanDerWaalsContact SG-CB 3.59Å; C454-V466 WeakPolarHBondContact SG-CG1 3.43Å
455S91.1Very high89.5Confident26 Ų2638.6 Ų38.618%0.18220%0.195CC..Hα-helixtrans-63.1-28.7-17376.70000114G276 E277 L278 A279 N451 L452 A453G276-S455 CarbonylContact C-O 3.17Å; G276-S455 VanDerWaalsContact CA-O 3.24Å; G276-S455 WeakPolarHBondContact CA-O 3.31Å; E277-S455 PolarHBondContact N-O 3.3Å; L278-S455 WeakPolarHBondContact CA-O 3.36Å; L278-S455 WeakPolarHBondContact CB-O 3.03Å; L278-S455 PolarHBondContact N-O 3.3Å; A279-S455 PolarHBondContact N-O 3.43Å; N451-S455 PolarHBondContact O-N 3.22Å; L452-S455 WeakPolarHBondContact O-CB 3.37Å; L452-S455 PolarHBondContact O-N 2.96Å; L452-S455 VanDerWaalsContact O-N 3.09Å; L452-S455 PolarHBondContact O-OG 2.88Å; A453-S455 VanDerWaalsContact C-N 3.3Å; A453-S455 PolarHBondContact O-N 3.19Å
456I89.5Confident89.4Confident21 Ų2134.2 Ų34.211%0.10818%0.176CC..Hα-helixtrans-107.2-3.9-175.755.9146.7000114L278 A279 L398 R399 V402 A453 C454L278-I456 HydrophobicContact CD2-CG2 4.02Å; L278-I456 HydrophobicContact CG-CG2 4.49Å; A279-I456 WeakPolarHBondContact CB-O 3.35Å; L398-I456 HydrophobicContact CB-CG2 4.24Å; R399-I456 HydrophobicContact CB-CD1 4.32Å; R399-I456 HydrophobicContact CG-CD1 3.91Å; V402-I456 HydrophobicContact CB-CD1 3.83Å; V402-I456 HydrophobicContact CG1-CD1 4.27Å; V402-I456 HydrophobicContact CG2-CD1 3.44Å; V402-I456 VanDerWaalsContact CG2-CD1 3.44Å; V402-I456 HydrophobicContact CG2-CG1 3.84Å; A453-I456 WeakPolarHBondContact O-CG1 3.41Å; C454-I456 VanDerWaalsContact C-N 3.25Å; C454-I456 PolarHBondContact O-N 2.94Å
457S87.6Confident89.2Confident12 Ų1237.8 Ų37.88%0.08419%0.189CC..  trans-84.4142-179.5-172.40000112.4G276 A453 C454 N459 I521G276-S457 WeakPolarHBondContact CA-O 3.49Å; G276-S457 PolarHBondContact N-O 2.65Å; A453-S457 PolarHBondContact O-N 3.04Å; C454-S457 PolarHBondContact O-N 3.25Å; S457-N459 PolarHBondContact OG-N 3.15Å; S457-I521 PolarHBondContact OG-O 3.36Å
458N80.9Confident88.7Confident89 Ų8939.7 Ų39.748%0.47620%0.199SC..  trans-94.2-2.4171.8-63.7-61.7000112.8A279 N283 E460A279-N458 WeakPolarHBondContact CB-OD1 3.16Å; N283-N458 PolarHBondContact ND2-OD1 2.96Å; N458-E460 PolarHBondContact O-N 2.89Å
459N79.8Confident88.6Confident68 Ų6836.8 Ų36.836%0.36419%0.185SC..  trans-84.993.1-179.7-176.5-6000110S457 E461 G462 V463 I521S457-N459 PolarHBondContact OG-N 3.15Å; N459-E461 PolarHBondContact O-N 3.03Å; N459-E461 PolarHBondContact OD1-N 3.11Å; N459-G462 PolarHBondContact O-N 3.28Å; N459-G462 PolarHBondContact OD1-N 3.01Å; N459-V463 WeakPolarHBondContact O-CB 3.4Å; N459-V463 VanDerWaalsContact O-CG2 3.23Å; N459-V463 WeakPolarHBondContact O-CG2 3.23Å; N459-V463 PolarHBondContact O-N 3.12Å; N459-I521 HydrophobicContact CB-CG2 4.31Å
460E80.1Confident88.5Confident106 Ų10636.9 Ų36.950%0.49519%0.186SC..Hα-helixtrans-59.4-44-175.8-50.1-162.7138.900112.6A275 N458 V463 K464A275-E460 HydrophobicContact CB-CG 3.98Å; A275-E460 PolarHBondContact N-OE1 3Å; N458-E460 PolarHBondContact O-N 2.89Å; E460-V463 PolarHBondContact O-N 3.44Å; E460-K464 WeakPolarHBondContact O-CB 3.43Å; E460-K464 PolarHBondContact O-N 3.16Å; E460-K464 VanDerWaalsContact O-N 3.12Å
461E80.3Confident88.3Confident96 Ų9640.1 Ų40.145%0.44921%0.209SC..Hα-helixtrans-66.5-44.4179.7-64.5-57.7146.600111.3N459 K464 L465N459-E461 PolarHBondContact O-N 3.03Å; N459-E461 PolarHBondContact OD1-N 3.11Å; E461-K464 WeakPolarHBondContact O-CB 3.26Å; E461-K464 PolarHBondContact O-N 3.36Å; E461-L465 WeakPolarHBondContact O-CG 3.22Å; E461-L465 PolarHBondContact O-N 3.16Å; E461-L465 VanDerWaalsContact O-N 3.12Å
462G86.8Confident88.1Confident5 Ų538.5 Ų38.55%0.05220%0.199CC..Hα-helixtrans-64.4-43.7176.300000112.8N459 K464 L465 V466N459-G462 PolarHBondContact O-N 3.28Å; N459-G462 PolarHBondContact OD1-N 3.01Å; G462-K464 PolarHBondContact O-N 3.49Å; G462-L465 WeakPolarHBondContact O-CB 3.38Å; G462-L465 PolarHBondContact O-N 2.6Å; G462-L465 VanDerWaalsContact O-N 3.08Å; G462-V466 WeakPolarHBondContact O-CG2 3.47Å; G462-V466 PolarHBondContact O-N 3.34Å
463V88.1Confident88.2Confident0 Ų037.5 Ų37.50%019%0.194CC..Hα-helixtrans-57.2-39.3176.71650000111.1C454 N459 E460 V466 R467C454-V463 HydrophobicContact CB-CG1 3.94Å; C454-V463 HydrophobicContact CB-CG2 4.35Å; N459-V463 WeakPolarHBondContact O-CB 3.4Å; N459-V463 VanDerWaalsContact O-CG2 3.23Å; N459-V463 WeakPolarHBondContact O-CG2 3.23Å; N459-V463 PolarHBondContact O-N 3.12Å; E460-V463 PolarHBondContact O-N 3.44Å; V463-V466 PolarHBondContact O-N 3.33Å; V463-R467 WeakPolarHBondContact O-CB 3.27Å; V463-R467 WeakPolarHBondContact O-CG 3.49Å; V463-R467 PolarHBondContact O-N 2.95Å
464K84.4Confident88.2Confident41 Ų4142.9 Ų42.918%0.17822%0.219CC..Hα-helixtrans-65.5-43.8176.4-177.1-175.1178.2-1730112.2D205 E460 E461 G462 M468D205-K464 WeakPolarHBondContact OD2-CE 3.47Å; D205-K464 IonicContact OD2-NZ 3.9Å; D205-K464 PolarHBondContact OD2-NZ 3.14Å; E460-K464 WeakPolarHBondContact O-CB 3.43Å; E460-K464 PolarHBondContact O-N 3.16Å; E460-K464 VanDerWaalsContact O-N 3.12Å; E461-K464 WeakPolarHBondContact O-CB 3.26Å; E461-K464 PolarHBondContact O-N 3.36Å; G462-K464 PolarHBondContact O-N 3.49Å; K464-M468 VanDerWaalsContact O-CB 3.28Å; K464-M468 WeakPolarHBondContact O-CB 3.18Å; K464-M468 PolarHBondContact O-N 3.18Å
465L87.4Confident88.1Confident77 Ų7744.5 Ų44.540%0.40323%0.232SC..Hα-helixtrans-61.1-44.4176-69.5176000111.5E461 G462 M468 A469 A517E461-L465 WeakPolarHBondContact O-CG 3.22Å; E461-L465 PolarHBondContact O-N 3.16Å; E461-L465 VanDerWaalsContact O-N 3.12Å; G462-L465 WeakPolarHBondContact O-CB 3.38Å; G462-L465 PolarHBondContact O-N 2.6Å; G462-L465 VanDerWaalsContact O-N 3.08Å; L465-M468 HydrophobicContact CD2-CE 3.81Å; L465-M468 PolarHBondContact O-N 2.95Å; L465-A469 WeakPolarHBondContact O-CB 3.06Å; L465-A469 PolarHBondContact O-N 3.21Å; L465-A517 HydrophobicContact CB-CB 4.5Å
466V92.3Very high88.3Confident0 Ų043.3 Ų43.30%022%0.224CC..Hα-helixtrans-61.8-51.3177.21750000111.6A450 C454 G462 V463 M468 A469 A470 L514 A517 V518 I521A450-V466 HydrophobicContact CB-CG1 3.75Å; C454-V466 VanDerWaalsContact SG-CB 3.59Å; C454-V466 WeakPolarHBondContact SG-CG1 3.43Å; G462-V466 WeakPolarHBondContact O-CG2 3.47Å; G462-V466 PolarHBondContact O-N 3.34Å; V463-V466 PolarHBondContact O-N 3.33Å; V466-M468 PolarHBondContact O-N 2.86Å; V466-A469 PolarHBondContact O-N 3.07Å; V466-A469 VanDerWaalsContact O-N 3.15Å; V466-A470 WeakPolarHBondContact O-CB 3.45Å; V466-A470 PolarHBondContact O-N 3.38Å; V466-L514 HydrophobicContact CG1-CD1 4.17Å; V466-A517 HydrophobicContact CG2-CB 3.72Å; V466-A517 WeakPolarHBondContact CG2-O 3.14Å; V466-V518 HydrophobicContact CG1-CG2 3.68Å; V466-V518 HydrophobicContact CG2-CG2 4.01Å; V466-I521 HydrophobicContact CB-CD1 4.42Å; V466-I521 HydrophobicContact CG2-CD1 3.8Å; V466-I521 HydrophobicContact CG2-CG1 4.09Å; V466-I521 HydrophobicContact CG2-CG2 4.38Å
467R90.6Very high88.6Confident77 Ų7742.6 Ų42.629%0.29122%0.22SC..Hα-helixtrans-59-37.4178.5-75.9175168.4175.1-10.5112E277 V463 S471E277-R467 IonicContact OE1-NH2 3.91Å; E277-R467 PolarHBondContact OE1-NH2 3.15Å; E277-R467 VanDerWaalsContact OE1-NH2 3.15Å; V463-R467 WeakPolarHBondContact O-CB 3.27Å; V463-R467 WeakPolarHBondContact O-CG 3.49Å; V463-R467 PolarHBondContact O-N 2.95Å; R467-S471 WeakPolarHBondContact O-CB 3.33Å; R467-S471 PolarHBondContact O-N 3.23Å
468M86.3Confident88.9Confident59 Ų5944 Ų4429%0.29123%0.23SC..Hα-helixtrans-67.2-46.1175.6-177.7173.569.100112A209 K464 L465 V466 A470 S471 Q472A209-M468 HydrophobicContact CB-CG 4.39Å; A209-M468 HydrophobicContact CB-SD 3.29Å; A209-M468 WeakPolarHBondContact CB-SD 3.49Å; K464-M468 VanDerWaalsContact O-CB 3.28Å; K464-M468 WeakPolarHBondContact O-CB 3.18Å; K464-M468 PolarHBondContact O-N 3.18Å; L465-M468 HydrophobicContact CD2-CE 3.81Å; L465-M468 PolarHBondContact O-N 2.95Å; V466-M468 PolarHBondContact O-N 2.86Å; M468-A470 VanDerWaalsContact C-N 3.33Å; M468-A470 PolarHBondContact O-N 2.92Å; M468-S471 PolarHBondContact O-N 3.25Å; M468-Q472 VanDerWaalsContact O-CG 3.31Å; M468-Q472 WeakPolarHBondContact O-CG 3.31Å; M468-Q472 PolarHBondContact O-N 3.11Å
469A91.1Very high89.5Confident3 Ų339.8 Ų39.83%0.02521%0.207CC..Hα-helixtrans-62.3-40.4176.500000111.8L465 V466 Q472 L473 Q510 V513 L514L465-A469 WeakPolarHBondContact O-CB 3.06Å; L465-A469 PolarHBondContact O-N 3.21Å; V466-A469 PolarHBondContact O-N 3.07Å; V466-A469 VanDerWaalsContact O-N 3.15Å; A469-Q472 PolarHBondContact O-N 3.47Å; A469-L473 PolarHBondContact O-N 3.04Å; A469-Q510 PolarHBondContact O-NE2 3.03Å; A469-V513 HydrophobicContact CB-CG1 4.13Å; A469-L514 HydrophobicContact CB-CB 4.19Å; A469-L514 HydrophobicContact CB-CD1 3.85Å
470A93.9Very high90.3Very high3 Ų336.6 Ų36.63%0.02519%0.19CC..Hα-helixtrans-63.7-46.9177.400000111.9I447 V466 M468 Q472 L473 E474 L514I447-A470 HydrophobicContact CG1-CB 4.43Å; I447-A470 HydrophobicContact CG2-CB 4.28Å; V466-A470 WeakPolarHBondContact O-CB 3.45Å; V466-A470 PolarHBondContact O-N 3.38Å; M468-A470 VanDerWaalsContact C-N 3.33Å; M468-A470 PolarHBondContact O-N 2.92Å; A470-Q472 VanDerWaalsContact C-N 3.3Å; A470-Q472 PolarHBondContact O-N 3.19Å; A470-L473 PolarHBondContact O-N 3.35Å; A470-L473 VanDerWaalsContact O-N 3.15Å; A470-E474 PolarHBondContact O-N 3.13Å; A470-L514 HydrophobicContact CB-CD1 4.04Å
471S90.3Very high91.1Very high68 Ų6831.8 Ų31.848%0.47617%0.167SC..Hα-helixtrans-62.1-37.51761800000112.4R467 M468 A475R467-S471 WeakPolarHBondContact O-CB 3.33Å; R467-S471 PolarHBondContact O-N 3.23Å; M468-S471 PolarHBondContact O-N 3.25Å; S471-A475 WeakPolarHBondContact O-CB 3.21Å; S471-A475 PolarHBondContact O-N 3.04Å
472Q89.9Confident91.7Very high35 Ų3528.7 Ų28.716%0.16415%0.154CC..Hα-helixtrans-66.9-37.6174.8-72174.917.400112.4M468 A469 A470 A475 L476 Q510M468-Q472 VanDerWaalsContact O-CG 3.31Å; M468-Q472 WeakPolarHBondContact O-CG 3.31Å; M468-Q472 PolarHBondContact O-N 3.11Å; A469-Q472 PolarHBondContact O-N 3.47Å; A470-Q472 VanDerWaalsContact C-N 3.3Å; A470-Q472 PolarHBondContact O-N 3.19Å; Q472-A475 PolarHBondContact O-N 3.36Å; Q472-L476 WeakPolarHBondContact O-CB 3.3Å; Q472-L476 PolarHBondContact O-N 3.15Å; Q472-L476 VanDerWaalsContact O-N 3.08Å; Q472-Q510 HydrophobicContact CB-CG 4.49Å
473L94.3Very high92Very high0 Ų028.5 Ų28.50%015%0.152CC..Hα-helixtrans-67.5-43.8176.4-167.868.2000111.3L446 I447 A469 A470 A475 L476 C477 W507 Q510 V511 L514L446-L473 HydrophobicContact CB-CD2 4.45Å; L446-L473 HydrophobicContact CD1-CD2 4.4Å; I447-L473 HydrophobicContact CG1-CD2 4.41Å; A469-L473 PolarHBondContact O-N 3.04Å; A470-L473 PolarHBondContact O-N 3.35Å; A470-L473 VanDerWaalsContact O-N 3.15Å; L473-A475 VanDerWaalsContact C-N 3.29Å; L473-A475 PolarHBondContact O-N 2.93Å; L473-L476 PolarHBondContact O-N 3.43Å; L473-L476 VanDerWaalsContact O-N 3.12Å; L473-C477 PolarHBondContact O-N 3.31Å; L473-W507 HydrophobicContact CD1-CD2 4.12Å; L473-W507 HydrophobicContact CD1-CE3 3.72Å; L473-W507 HydrophobicContact CD1-CH2 3.56Å; L473-W507 HydrophobicContact CD1-CZ2 3.99Å; L473-W507 HydrophobicContact CD1-CZ3 3.42Å; L473-W507 VanDerWaalsContact CD1-CZ3 3.42Å; L473-W507 HydrophobicContact CD2-CH2 4.29Å; L473-W507 HydrophobicContact CG-CH2 3.73Å; L473-W507 HydrophobicContact CG-CZ2 4.39Å; L473-W507 HydrophobicContact CG-CZ3 3.87Å; L473-Q510 HydrophobicContact CB-CG 4.07Å; L473-Q510 HydrophobicContact CD1-CB 3.96Å; L473-Q510 HydrophobicContact CD1-CG 3.71Å; L473-V511 HydrophobicContact CD1-CG2 3.74Å; L473-V511 HydrophobicContact CD2-CG2 4.29Å; L473-L514 HydrophobicContact CD2-CD2 3.59Å
474E95.1Very high92.4Very high114 Ų11428.5 Ų28.553%0.53315%0.152SC..Hα-helixtrans-55.4-45.8173.8-171.6-177.6-159.500111.2I447 A470 L476 P478I447-E474 HydrophobicContact CD1-CB 3.77Å; I447-E474 HydrophobicContact CD1-CG 4.35Å; A470-E474 PolarHBondContact O-N 3.13Å; E474-L476 VanDerWaalsContact C-N 3.31Å; E474-L476 PolarHBondContact O-N 2.88Å; E474-P478 WeakPolarHBondContact O-CD 3.26Å
475A90.8Very high92.8Very high34 Ų3428.5 Ų28.528%0.28115%0.154SC..Hα-helixtrans-71.7-23.3-179.500000113.5Q247 S471 Q472 L473 Q479Q247-A475 PolarHBondContact NE2-O 3.4Å; Q247-A475 VanDerWaalsContact NE2-O 3.09Å; S471-A475 WeakPolarHBondContact O-CB 3.21Å; S471-A475 PolarHBondContact O-N 3.04Å; Q472-A475 PolarHBondContact O-N 3.36Å; L473-A475 VanDerWaalsContact C-N 3.29Å; L473-A475 PolarHBondContact O-N 2.93Å; A475-Q479 PolarHBondContact O-NE2 2.87Å
476L94.3Very high92.9Very high1 Ų124.9 Ų24.91%0.00514%0.135CC..Hα-helixtrans-84.8-36.4178.9-177.662.3000112.2M220 Q472 L473 E474 Q479 V480 F503 Q506 W507 Q510M220-L476 HydrophobicContact CE-CD1 4.05Å; Q472-L476 WeakPolarHBondContact O-CB 3.3Å; Q472-L476 PolarHBondContact O-N 3.15Å; Q472-L476 VanDerWaalsContact O-N 3.08Å; L473-L476 PolarHBondContact O-N 3.43Å; L473-L476 VanDerWaalsContact O-N 3.12Å; E474-L476 VanDerWaalsContact C-N 3.31Å; E474-L476 PolarHBondContact O-N 2.88Å; L476-Q479 WeakPolarHBondContact O-CA 3.4Å; L476-Q479 WeakPolarHBondContact O-CB 3.44Å; L476-Q479 PolarHBondContact O-N 2.88Å; L476-V480 HydrophobicContact CD1-CG2 4.37Å; L476-V480 HydrophobicContact CG-CG2 4.08Å; L476-V480 PolarHBondContact O-N 3.44Å; L476-F503 HydrophobicContact CD1-CD1 4.18Å; L476-F503 HydrophobicContact CD1-CE1 4.4Å; L476-Q506 HydrophobicContact CD1-CG 4.16Å; L476-Q506 HydrophobicContact CD2-CG 3.98Å; L476-W507 HydrophobicContact CD2-CB 4.47Å; L476-W507 HydrophobicContact CD2-CE3 4.01Å; L476-W507 HydrophobicContact CG-CE3 4.11Å; L476-Q510 HydrophobicContact CD2-CB 3.96Å; L476-Q510 HydrophobicContact CD2-CG 4.41Å
477C96.1Very high93Very high6 Ų624.9 Ų24.94%0.04114%0.135CC..Hα-helixtrans-45.9-53.3-178.2-179.10000114.3A443 L473 Q479 V480 I481 W507A443-C477 HydrophobicContact CB-CB 4.43Å; L473-C477 PolarHBondContact O-N 3.31Å; C477-Q479 PolarHBondContact O-N 3.41Å; C477-V480 PolarHBondContact O-N 3.39Å; C477-I481 WeakPolarHBondContact O-CG1 3.42Å; C477-I481 PolarHBondContact O-N 3.02Å; C477-W507 HydrophobicContact CB-CH2 4.14Å; C477-W507 HydrophobicContact CB-CZ3 3.83Å
478P94.9Very high93.2Very high43 Ų4321.4 Ų21.428%0.27912%0.123SC..Hα-helixtrans-65.8-25.3179.725.7-34.8000113.5L243 E474 N482L243-P478 HydrophobicContact CD1-CB 4.38Å; L243-P478 HydrophobicContact CD1-CG 4.14Å; E474-P478 WeakPolarHBondContact O-CD 3.26Å; P478-N482 WeakPolarHBondContact O-CB 3.22Å; P478-N482 PolarHBondContact O-N 3.4Å; P478-N482 PolarHBondContact O-ND2 2.99Å
479Q93.7Very high93.5Very high0 Ų020.2 Ų20.20%012%0.122CC..Hα-helixtrans-73.8-39.2179-59.5175.758.600111.9N240 L243 Q247 A475 L476 C477 I481 N482 A483 F503N240-Q479 WeakPolarHBondContact OD1-CA 3.38Å; N240-Q479 WeakPolarHBondContact OD1-CB 3.5Å; N240-Q479 WeakPolarHBondContact OD1-CG 3.26Å; N240-Q479 PolarHBondContact OD1-O 3.48Å; L243-Q479 HydrophobicContact CD1-CG 4.11Å; L243-Q479 HydrophobicContact CD2-CG 3.55Å; L243-Q479 HydrophobicContact CG-CG 4.33Å; Q247-Q479 VanDerWaalsContact CD-NE2 3.31Å; A475-Q479 PolarHBondContact O-NE2 2.87Å; L476-Q479 WeakPolarHBondContact O-CA 3.4Å; L476-Q479 WeakPolarHBondContact O-CB 3.44Å; L476-Q479 PolarHBondContact O-N 2.88Å; C477-Q479 PolarHBondContact O-N 3.41Å; Q479-I481 VanDerWaalsContact C-N 3.35Å; Q479-N482 PolarHBondContact O-N 3.33Å; Q479-A483 WeakPolarHBondContact O-CB 3.45Å; Q479-A483 PolarHBondContact O-N 3.44Å; Q479-F503 HydrophobicContact CB-CD1 4.01Å; Q479-F503 HydrophobicContact CB-CE1 3.42Å; Q479-F503 VanDerWaalsContact CB-CE1 3.42Å; Q479-F503 HydrophobicContact CB-CZ 4.2Å; Q479-F503 HydrophobicContact CG-CE1 4.4Å
480V96.2Very high93.5Very high0 Ų023.1 Ų23.10%013%0.134CC..Hα-helixtrans-61.2-46173.1178.70000110.1L417 F439 L476 C477 N482 A483 A484 M500 F503 W507L417-V480 HydrophobicContact CD1-CG1 3.47Å; L417-V480 VanDerWaalsContact CD1-CG1 3.47Å; F439-V480 HydrophobicContact CE1-CB 4.08Å; F439-V480 HydrophobicContact CE1-CG1 3.98Å; F439-V480 HydrophobicContact CZ-CB 4.21Å; F439-V480 HydrophobicContact CZ-CG1 3.87Å; L476-V480 HydrophobicContact CD1-CG2 4.37Å; L476-V480 HydrophobicContact CG-CG2 4.08Å; L476-V480 PolarHBondContact O-N 3.44Å; C477-V480 PolarHBondContact O-N 3.39Å; V480-N482 PolarHBondContact O-N 3.4Å; V480-A483 PolarHBondContact O-N 3.33Å; V480-A484 PolarHBondContact O-N 3.39Å; V480-M500 HydrophobicContact CG1-CE 3.95Å; V480-F503 HydrophobicContact CG2-CB 4.3Å; V480-F503 HydrophobicContact CG2-CD1 4.31Å; V480-W507 HydrophobicContact CG2-CB 4.23Å; V480-W507 HydrophobicContact CG2-CE3 3.96Å
481I95.9Very high93.5Very high5 Ų524.5 Ų24.53%0.02614%0.142CC..Hα-helixtrans-60.4-44.6176.3-66.3168.5000111.1A436 F439 R440 C477 Q479 A483 A484 L485A436-I481 HydrophobicContact CB-CB 4.46Å; A436-I481 HydrophobicContact CB-CD1 4.31Å; A436-I481 HydrophobicContact CB-CG1 4.08Å; A436-I481 HydrophobicContact CB-CG2 3.66Å; F439-I481 HydrophobicContact CD1-CD1 4.1Å; F439-I481 HydrophobicContact CD1-CG1 3.79Å; F439-I481 HydrophobicContact CE1-CG1 4.13Å; R440-I481 HydrophobicContact CB-CD1 4.2Å; C477-I481 WeakPolarHBondContact O-CG1 3.42Å; C477-I481 PolarHBondContact O-N 3.02Å; Q479-I481 VanDerWaalsContact C-N 3.35Å; I481-A483 VanDerWaalsContact C-N 3.33Å; I481-A483 PolarHBondContact O-N 3.48Å; I481-A484 PolarHBondContact O-N 2.96Å; I481-L485 HydrophobicContact CG2-CD1 4.01Å; I481-L485 HydrophobicContact CG2-CG 4.42Å; I481-L485 WeakPolarHBondContact O-CG 3.42Å; I481-L485 PolarHBondContact O-N 3.48Å
482N92.9Very high93.6Very high32 Ų3228.6 Ų28.617%0.17116%0.159CC..Hα-helixtrans-64.9-36.7178.3-71.4-23000112.3N240 P478 Q479 V480 A486N240-N482 HydrophobicContact CB-CB 3.92Å; P478-N482 WeakPolarHBondContact O-CB 3.22Å; P478-N482 PolarHBondContact O-N 3.4Å; P478-N482 PolarHBondContact O-ND2 2.99Å; Q479-N482 PolarHBondContact O-N 3.33Å; V480-N482 PolarHBondContact O-N 3.4Å; N482-A486 VanDerWaalsContact O-CB 3.25Å; N482-A486 WeakPolarHBondContact O-CB 3.49Å; N482-A486 PolarHBondContact O-N 3.4Å
483A93.4Very high93.8Very high0 Ų027.7 Ų27.70%016%0.157CC..Hα-helixtrans-63.9-42.617400000111.5Q479 V480 I481 A486 L487 M500 F503Q479-A483 WeakPolarHBondContact O-CB 3.45Å; Q479-A483 PolarHBondContact O-N 3.44Å; V480-A483 PolarHBondContact O-N 3.33Å; I481-A483 VanDerWaalsContact C-N 3.33Å; I481-A483 PolarHBondContact O-N 3.48Å; A483-A486 PolarHBondContact O-N 2.88Å; A483-L487 WeakPolarHBondContact O-CB 3.34Å; A483-L487 PolarHBondContact O-N 3.47Å; A483-M500 HydrophobicContact CB-CE 4.45Å; A483-M500 HydrophobicContact CB-SD 3.81Å; A483-F503 HydrophobicContact CB-CB 4.22Å; A483-F503 HydrophobicContact CB-CD2 3.57Å; A483-F503 HydrophobicContact CB-CE2 4.23Å; A483-F503 HydrophobicContact CB-CG 3.98Å
484A95.9Very high93.7Very high0 Ų033.5 Ų33.50%018%0.182CC..Hα-helixtrans-65-45.1176.600000112.3L420 A424 V432 V480 I481 A486 L487 A488 M500L420-A484 HydrophobicContact CD1-CB 4Å; L420-A484 HydrophobicContact CD2-CB 4.13Å; L420-A484 HydrophobicContact CG-CB 3.85Å; A424-A484 HydrophobicContact CB-CB 4.19Å; A424-A484 VanDerWaalsContact CB-O 3.31Å; A424-A484 WeakPolarHBondContact CB-O 3.38Å; V432-A484 HydrophobicContact CG1-CB 4.19Å; V480-A484 PolarHBondContact O-N 3.39Å; I481-A484 PolarHBondContact O-N 2.96Å; A484-A486 VanDerWaalsContact C-N 3.26Å; A484-A486 PolarHBondContact O-N 3.29Å; A484-L487 PolarHBondContact O-N 3.44Å; A484-A488 PolarHBondContact O-N 2.91Å; A484-M500 HydrophobicContact CB-SD 3.96Å; A484-M500 PolarHBondContact N-SD 3.5Å; A484-M500 VanDerWaalsContact N-SD 3.43Å
485L92.9Very high93.4Very high42 Ų4229.6 Ų29.622%0.2217%0.166CC..Hα-helixtrans-59.2-39.4174.9-75.3169.8000112.1A236 V432 K433 I481 A488 A489A236-L485 HydrophobicContact CB-CB 4.28Å; V432-L485 HydrophobicContact CG1-CD2 3.68Å; V432-L485 HydrophobicContact CG1-CG 4.05Å; K433-L485 HydrophobicContact CG-CD2 3.82Å; I481-L485 HydrophobicContact CG2-CD1 4.01Å; I481-L485 HydrophobicContact CG2-CG 4.42Å; I481-L485 WeakPolarHBondContact O-CG 3.42Å; I481-L485 PolarHBondContact O-N 3.48Å; L485-A488 PolarHBondContact O-N 2.84Å; L485-A489 PolarHBondContact O-N 3.49Å; L485-A489 VanDerWaalsContact O-N 3.15Å
486A90.1Very high93.3Very high0 Ų028 Ų280%015%0.153CC..Hα-helixtrans-75.4-31.5-17900000112.4V234 A236 Y237 N482 A483 A484 K490V234-A486 HydrophobicContact CG1-CB 4.04Å; A236-A486 HydrophobicContact CB-CB 3.93Å; Y237-A486 HydrophobicContact CD1-CB 3.46Å; Y237-A486 VanDerWaalsContact CD1-CB 3.46Å; Y237-A486 HydrophobicContact CD2-CB 4.03Å; Y237-A486 HydrophobicContact CE1-CB 3.12Å; Y237-A486 HydrophobicContact CE2-CB 3.7Å; Y237-A486 HydrophobicContact CG-CB 3.89Å; Y237-A486 VanDerWaalsContact OH-C 3.24Å; Y237-A486 PolarHBondContact OH-O 3.31Å; N482-A486 VanDerWaalsContact O-CB 3.25Å; N482-A486 WeakPolarHBondContact O-CB 3.49Å; N482-A486 PolarHBondContact O-N 3.4Å; A483-A486 PolarHBondContact O-N 2.88Å; A484-A486 VanDerWaalsContact C-N 3.26Å; A484-A486 PolarHBondContact O-N 3.29Å; A486-K490 PolarHBondContact O-N 3.06Å
487L94.5Very high93.3Very high1 Ų131.2 Ų31.21%0.00517%0.168CC..Hα-helixtrans-66.2-43.4168.7177.462.1000111.3A424 K425 A483 A484 A489 K490 P491 A496 Q497 M500A424-L487 HydrophobicContact CB-CB 4.19Å; A424-L487 HydrophobicContact CB-CD2 3.98Å; A424-L487 HydrophobicContact CB-CG 4.12Å; K425-L487 HydrophobicContact CG-CD2 4.07Å; A483-L487 WeakPolarHBondContact O-CB 3.34Å; A483-L487 PolarHBondContact O-N 3.47Å; A484-L487 PolarHBondContact O-N 3.44Å; L487-A489 VanDerWaalsContact C-N 3.27Å; L487-A489 PolarHBondContact O-N 2.96Å; L487-K490 CarbonylContact O-C 3.52Å; L487-K490 PolarHBondContact O-N 2.93Å; L487-P491 WeakPolarHBondContact O-CA 3.37Å; L487-P491 WeakPolarHBondContact O-CD 3.39Å; L487-A496 HydrophobicContact CD1-CB 3.75Å; L487-Q497 HydrophobicContact CD1-CG 3.82Å; L487-M500 HydrophobicContact CD2-CB 3.9Å; L487-M500 HydrophobicContact CD2-CG 3.86Å
488A95Very high93.1Very high4 Ų434 Ų343%0.03318%0.182CC..Hα-helixtrans-58.8-37.4175.900000113.2A424 G427 E429 V432 A484 L485 K490 P491A424-A488 HydrophobicContact CB-CB 4.39Å; A424-A488 WeakPolarHBondContact O-CA 3.38Å; G427-A488 WeakPolarHBondContact CA-O 3.14Å; E429-A488 HydrophobicContact CG-CB 3.97Å; V432-A488 HydrophobicContact CB-CB 4.41Å; V432-A488 HydrophobicContact CG2-CB 3.92Å; A484-A488 PolarHBondContact O-N 2.91Å; L485-A488 PolarHBondContact O-N 2.84Å; A488-K490 VanDerWaalsContact C-N 3.29Å; A488-K490 PolarHBondContact O-N 2.93Å; A488-P491 WeakPolarHBondContact O-CD 3.45Å
489A91.4Very high92.9Very high33 Ų3332 Ų3227%0.27317%0.169SC..Hα-helixtrans-68.4-27.917600000112.9V234 L485 L487V234-A489 HydrophobicContact CG1-CB 4.2Å; V234-A489 HydrophobicContact CG2-CB 4.15Å; L485-A489 PolarHBondContact O-N 3.49Å; L485-A489 VanDerWaalsContact O-N 3.15Å; L487-A489 VanDerWaalsContact C-N 3.27Å; L487-A489 PolarHBondContact O-N 2.96Å
490K91.9Very high93Very high64 Ų6432.1 Ų32.128%0.27817%0.17SC..SBendtrans-141.365.8-176.1-56.3-69.6-178-1720111.3D233 V234 A486 L487 A488 N492 S493D233-K490 IonicContact OD1-NZ 3.88Å; D233-K490 WeakPolarHBondContact OD2-CE 3.26Å; D233-K490 IonicContact OD2-NZ 3.93Å; D233-K490 PolarHBondContact OD2-NZ 3.31Å; V234-K490 HydrophobicContact CG2-CG 4.1Å; A486-K490 PolarHBondContact O-N 3.06Å; L487-K490 CarbonylContact O-C 3.52Å; L487-K490 PolarHBondContact O-N 2.93Å; A488-K490 VanDerWaalsContact C-N 3.29Å; A488-K490 PolarHBondContact O-N 2.93Å; K490-N492 VanDerWaalsContact C-N 3.29Å; K490-N492 PolarHBondContact O-N 2.92Å; K490-S493 VanDerWaalsContact O-CB 3.29Å; K490-S493 WeakPolarHBondContact O-CB 3.48Å; K490-S493 PolarHBondContact O-N 3.16Å
491P93.3Very high92.9Very high32 Ų3235.4 Ų35.421%0.20819%0.187CC..THydrogen-bonded Turntrans-66-29.8-168.923.3-33.8000113.8K425 L487 A488 S493 Q497K425-P491 VanDerWaalsContact O-CB 3.28Å; K425-P491 WeakPolarHBondContact O-CB 3.46Å; L487-P491 WeakPolarHBondContact O-CA 3.37Å; L487-P491 WeakPolarHBondContact O-CD 3.39Å; A488-P491 WeakPolarHBondContact O-CD 3.45Å; P491-S493 VanDerWaalsContact C-N 3.32Å; P491-S493 PolarHBondContact O-N 2.72Å; P491-Q497 PolarHBondContact O-NE2 2.87Å
492N93.4Very high92.8Very high154 Ų15437.5 Ų37.582%0.82420%0.2SC*.THydrogen-bonded Turntrans-84.2-3.3179.1-62.7-37.9000113.7K490 K494K490-N492 VanDerWaalsContact C-N 3.29Å; K490-N492 PolarHBondContact O-N 2.92Å; N492-K494 PolarHBondContact O-N 2.91Å
493S92.7Very high92.9Very high17 Ų1736 Ų3612%0.11919%0.192CC..  trans-76.6118.9-179.9171.50000110.3H231 K490 P491 V495 A496 Q497H231-S493 PolarHBondContact NE2-OG 3.19Å; K490-S493 VanDerWaalsContact O-CB 3.29Å; K490-S493 WeakPolarHBondContact O-CB 3.48Å; K490-S493 PolarHBondContact O-N 3.16Å; P491-S493 VanDerWaalsContact C-N 3.32Å; P491-S493 PolarHBondContact O-N 2.72Å; S493-V495 VanDerWaalsContact C-N 3.27Å; S493-V495 PolarHBondContact O-N 3.06Å; S493-A496 WeakPolarHBondContact O-CB 3.41Å; S493-A496 PolarHBondContact O-N 2.7Å; S493-A496 VanDerWaalsContact O-N 3.07Å; S493-A496 PolarHBondContact OG-N 3.39Å; S493-Q497 WeakPolarHBondContact O-CG 3.25Å; S493-Q497 PolarHBondContact O-N 3.44Å
494K92.4Very high93Very high122 Ų12238.3 Ų38.353%0.5320%0.202SC..Hα-helixtrans-59.6-39177.6-175.352176.41530112.2N492 A496 Q497 D498N492-K494 PolarHBondContact O-N 2.91Å; K494-A496 VanDerWaalsContact C-N 3.31Å; K494-A496 PolarHBondContact O-N 2.84Å; K494-Q497 PolarHBondContact O-N 2.96Å; K494-D498 WeakPolarHBondContact CE-OD1 3.42Å; K494-D498 IonicContact NZ-OD1 2.84Å; K494-D498 PolarHBondContact NZ-OD1 3.47Å; K494-D498 WeakPolarHBondContact O-CB 3.43Å; K494-D498 PolarHBondContact O-N 3.26Å
495V89.1Confident92.9Very high32 Ų3242 Ų4219%0.19422%0.222CC..Hα-helixtrans-67.9-31.3177174.10000112.4C226 A227 S493 N499C226-V495 HydrophobicContact CB-CG1 4.27Å; A227-V495 HydrophobicContact CB-CG1 3.88Å; S493-V495 VanDerWaalsContact C-N 3.27Å; S493-V495 PolarHBondContact O-N 3.06Å; V495-N499 WeakPolarHBondContact O-CB 3.38Å; V495-N499 PolarHBondContact O-N 3.41Å
496A89.6Confident93Very high0 Ų041.6 Ų41.60%022%0.219CC..Hα-helixtrans-67.5-43.9173.900000111.4Y237 L487 S493 K494 N499 M500Y237-A496 WeakPolarHBondContact OH-CB 3.3Å; L487-A496 HydrophobicContact CD1-CB 3.75Å; S493-A496 WeakPolarHBondContact O-CB 3.41Å; S493-A496 PolarHBondContact O-N 2.7Å; S493-A496 VanDerWaalsContact O-N 3.07Å; S493-A496 PolarHBondContact OG-N 3.39Å; K494-A496 VanDerWaalsContact C-N 3.31Å; K494-A496 PolarHBondContact O-N 2.84Å; A496-N499 PolarHBondContact O-N 2.88Å; A496-M500 PolarHBondContact O-N 3.37Å
497Q93.5Very high93.3Very high68 Ų6841.6 Ų41.632%0.31822%0.219SC..Hα-helixtrans-62.9-51.1176.5-65.9171.915.900110.8L487 P491 S493 K494 N499 M500 D501L487-Q497 HydrophobicContact CD1-CG 3.82Å; P491-Q497 PolarHBondContact O-NE2 2.87Å; S493-Q497 WeakPolarHBondContact O-CG 3.25Å; S493-Q497 PolarHBondContact O-N 3.44Å; K494-Q497 PolarHBondContact O-N 2.96Å; Q497-N499 VanDerWaalsContact C-N 3.28Å; Q497-N499 PolarHBondContact O-N 3.47Å; Q497-M500 PolarHBondContact O-N 2.95Å; Q497-M500 VanDerWaalsContact O-N 3.09Å; Q497-D501 PolarHBondContact O-N 3.42Å
498D91.9Very high93.3Very high66 Ų6644.1 Ų44.135%0.35323%0.231SC..Hα-helixtrans-61-38.3179.2-66.2-15.9000111.6K494 V502K494-D498 WeakPolarHBondContact CE-OD1 3.42Å; K494-D498 IonicContact NZ-OD1 2.84Å; K494-D498 PolarHBondContact NZ-OD1 3.47Å; K494-D498 WeakPolarHBondContact O-CB 3.43Å; K494-D498 PolarHBondContact O-N 3.26Å; D498-V502 WeakPolarHBondContact O-CG2 3.19Å; D498-V502 PolarHBondContact O-N 3.22Å
499N91.9Very high93.2Very high1 Ų150 Ų501%0.00526%0.256CS..Hα-helixtrans-65.1-44.1175.1-175.872.1000111.3T223 V495 A496 Q497 D501 V502 F503T223-N499 PolarHBondContact OG1-OD1 3.05Å; V495-N499 WeakPolarHBondContact O-CB 3.38Å; V495-N499 PolarHBondContact O-N 3.41Å; A496-N499 PolarHBondContact O-N 2.88Å; Q497-N499 VanDerWaalsContact C-N 3.28Å; Q497-N499 PolarHBondContact O-N 3.47Å; N499-D501 PolarHBondContact O-N 3.04Å; N499-V502 PolarHBondContact O-N 3.45Å; N499-F503 WeakPolarHBondContact O-CD2 3.41Å; N499-F503 PolarHBondContact O-N 2.94Å
500M94.9Very high93.4Very high1 Ų148.7 Ų48.71%0.00524%0.244CC..Hα-helixtrans-62.5-41.4177.2-172.765.7-117.400112.1L417 I421 V480 A483 A484 L487 A496 Q497 V502 F503 K504L417-M500 HydrophobicContact CD1-CE 4.43Å; I421-M500 HydrophobicContact CD1-CE 3.85Å; I421-M500 HydrophobicContact CG1-CE 3.75Å; I421-M500 HydrophobicContact CG1-CG 4.17Å; I421-M500 HydrophobicContact CG1-SD 4.19Å; I421-M500 HydrophobicContact CG2-CG 4.38Å; V480-M500 HydrophobicContact CG1-CE 3.95Å; A483-M500 HydrophobicContact CB-CE 4.45Å; A483-M500 HydrophobicContact CB-SD 3.81Å; A484-M500 HydrophobicContact CB-SD 3.96Å; A484-M500 PolarHBondContact N-SD 3.5Å; A484-M500 VanDerWaalsContact N-SD 3.43Å; L487-M500 HydrophobicContact CD2-CB 3.9Å; L487-M500 HydrophobicContact CD2-CG 3.86Å; A496-M500 PolarHBondContact O-N 3.37Å; Q497-M500 PolarHBondContact O-N 2.95Å; Q497-M500 VanDerWaalsContact O-N 3.09Å; M500-V502 VanDerWaalsContact C-N 3.33Å; M500-V502 PolarHBondContact O-N 3.31Å; M500-F503 HydrophobicContact CE-CB 4.14Å; M500-F503 PolarHBondContact O-N 3.29Å; M500-F503 VanDerWaalsContact O-N 3.12Å; M500-K504 PolarHBondContact O-N 3.17Å
501D94.3Very high93.5Very high69 Ų6945.9 Ų45.937%0.36923%0.232SC..Hα-helixtrans-60.8-41.4178.1-70.8-23.9000111.6Q497 N499 F503 K504 D505Q497-D501 PolarHBondContact O-N 3.42Å; N499-D501 PolarHBondContact O-N 3.04Å; D501-F503 VanDerWaalsContact C-N 3.32Å; D501-F503 PolarHBondContact O-N 3.18Å; D501-K504 PolarHBondContact O-N 3.03Å; D501-D505 PolarHBondContact O-N 3.42Å
502V93.4Very high93.5Very high50 Ų5052 Ų5230%0.30325%0.251SS..Hα-helixtrans-59.7-41.5174.3170.60000111.7M220 T223 D498 N499 M500 Q506M220-V502 HydrophobicContact CG-CG1 3.93Å; T223-V502 HydrophobicContact CG2-CG2 4.44Å; D498-V502 WeakPolarHBondContact O-CG2 3.19Å; D498-V502 PolarHBondContact O-N 3.22Å; N499-V502 PolarHBondContact O-N 3.45Å; M500-V502 VanDerWaalsContact C-N 3.33Å; M500-V502 PolarHBondContact O-N 3.31Å; V502-Q506 VanDerWaalsContact O-CB 3.26Å; V502-Q506 WeakPolarHBondContact O-CB 3.44Å; V502-Q506 PolarHBondContact O-N 3.02Å; V502-Q506 VanDerWaalsContact O-N 3.13Å
503F94.5Very high93.5Very high0 Ų048.3 Ų48.30%023%0.234CC..Hα-helixtrans-72.6-35.8177.9-82-76000113M220 N240 I244 L476 Q479 V480 A483 N499 M500 D501 Q506 W507M220-F503 HydrophobicContact CE-CD1 3.47Å; M220-F503 VanDerWaalsContact CE-CD1 3.47Å; M220-F503 HydrophobicContact CE-CE1 2.99Å; M220-F503 HydrophobicContact CE-CE2 4.45Å; M220-F503 HydrophobicContact CE-CG 4.37Å; M220-F503 HydrophobicContact CE-CZ 3.55Å; N240-F503 WeakPolarHBondContact ND2-CE2 3.29Å; N240-F503 WeakPolarHBondContact ND2-CZ 3.19Å; I244-F503 HydrophobicContact CD1-CZ 3.86Å; L476-F503 HydrophobicContact CD1-CD1 4.18Å; L476-F503 HydrophobicContact CD1-CE1 4.4Å; Q479-F503 HydrophobicContact CB-CD1 4.01Å; Q479-F503 HydrophobicContact CB-CE1 3.42Å; Q479-F503 VanDerWaalsContact CB-CE1 3.42Å; Q479-F503 HydrophobicContact CB-CZ 4.2Å; Q479-F503 HydrophobicContact CG-CE1 4.4Å; V480-F503 HydrophobicContact CG2-CB 4.3Å; V480-F503 HydrophobicContact CG2-CD1 4.31Å; A483-F503 HydrophobicContact CB-CB 4.22Å; A483-F503 HydrophobicContact CB-CD2 3.57Å; A483-F503 HydrophobicContact CB-CE2 4.23Å; A483-F503 HydrophobicContact CB-CG 3.98Å; N499-F503 WeakPolarHBondContact O-CD2 3.41Å; N499-F503 PolarHBondContact O-N 2.94Å; M500-F503 HydrophobicContact CE-CB 4.14Å; M500-F503 PolarHBondContact O-N 3.29Å; M500-F503 VanDerWaalsContact O-N 3.12Å; D501-F503 VanDerWaalsContact C-N 3.32Å; D501-F503 PolarHBondContact O-N 3.18Å; F503-Q506 PolarHBondContact O-N 3.45Å; F503-W507 WeakPolarHBondContact O-CB 3.4Å; F503-W507 PolarHBondContact O-N 3.3Å
504K96Very high93.6Very high48 Ų4847.6 Ų47.621%0.20923%0.228CC..Hα-helixtrans-60.2-55174.1176.8-170.3170.9-65.30110.6L417 I421 M500 D501 Q506 W507 E508L417-K504 HydrophobicContact CD2-CG 4.16Å; I421-K504 HydrophobicContact CD1-CB 3.9Å; I421-K504 HydrophobicContact CD1-CD 3.89Å; I421-K504 HydrophobicContact CD1-CG 3.84Å; M500-K504 PolarHBondContact O-N 3.17Å; D501-K504 PolarHBondContact O-N 3.03Å; K504-Q506 PolarHBondContact O-N 3.35Å; K504-W507 WeakPolarHBondContact O-CB 3.4Å; K504-W507 PolarHBondContact O-N 3.29Å; K504-W507 VanDerWaalsContact O-N 3.13Å; K504-E508 VanDerWaalsContact CE-OE1 3.31Å; K504-E508 WeakPolarHBondContact CE-OE1 3.39Å; K504-E508 VanDerWaalsContact NZ-CD 3.32Å; K504-E508 IonicContact NZ-OE1 2.72Å; K504-E508 PolarHBondContact NZ-OE1 3.01Å; K504-E508 IonicContact NZ-OE2 3.62Å; K504-E508 PolarHBondContact NZ-OE2 3.21Å; K504-E508 WeakPolarHBondContact O-CG 3.33Å; K504-E508 PolarHBondContact O-N 3.2Å
505D94.9Very high93.6Very high77 Ų7742.5 Ų42.541%0.41221%0.208SC..Hα-helixtrans-59.1-36.5179.3-76.42.3000111.6D501 K509D501-D505 PolarHBondContact O-N 3.42Å; D505-K509 WeakPolarHBondContact O-CB 3.48Å; D505-K509 WeakPolarHBondContact O-CD 3.3Å; D505-K509 VanDerWaalsContact O-CG 3.25Å; D505-K509 WeakPolarHBondContact O-CG 3.43Å; D505-K509 PolarHBondContact O-N 3.38Å
506Q93.5Very high93.6Very high35 Ų3543.7 Ų43.716%0.16421%0.213CC..Hα-helixtrans-72.7-35.2179.5-171.15161.600112.9R216 M220 L476 V502 F503 K504 Q510R216-Q506 HydrophobicContact CG-CG 4.29Å; M220-Q506 HydrophobicContact CE-CG 4.24Å; M220-Q506 HydrophobicContact SD-CG 4.07Å; L476-Q506 HydrophobicContact CD1-CG 4.16Å; L476-Q506 HydrophobicContact CD2-CG 3.98Å; V502-Q506 VanDerWaalsContact O-CB 3.26Å; V502-Q506 WeakPolarHBondContact O-CB 3.44Å; V502-Q506 PolarHBondContact O-N 3.02Å; V502-Q506 VanDerWaalsContact O-N 3.13Å; F503-Q506 PolarHBondContact O-N 3.45Å; K504-Q506 PolarHBondContact O-N 3.35Å; Q506-Q510 WeakPolarHBondContact O-CB 3.34Å; Q506-Q510 PolarHBondContact O-N 3.41Å; Q506-Q510 VanDerWaalsContact O-N 3.08Å
507W96.1Very high93.7Very high0 Ų044.2 Ų44.20%022%0.217CC..Hα-helixtrans-64.3-52.7173.5-179.4-93.9000111L417 F439 A443 L473 L476 C477 V480 F503 K504 K509 Q510 V511L417-W507 HydrophobicContact CD2-CB 3.98Å; L417-W507 VanDerWaalsContact CD2-CD1 3.46Å; L417-W507 HydrophobicContact CD2-CG 3.87Å; F439-W507 HydrophobicContact CE1-CH2 4.29Å; F439-W507 HydrophobicContact CE1-CZ2 4.44Å; F439-W507 HydrophobicContact CE1-CZ3 4.35Å; F439-W507 AromaticContact CE2-CD2 3.95Å; F439-W507 HydrophobicContact CE2-CD2 3.95Å; F439-W507 AromaticContact CE2-CE2 3.4Å; F439-W507 HydrophobicContact CE2-CG 4.46Å; F439-W507 HydrophobicContact CE2-CH2 4.16Å; F439-W507 AromaticContact CE2-CZ2 3.52Å; F439-W507 HydrophobicContact CE2-CZ2 3.52Å; F439-W507 AromaticContact CE2-NE1 3.63Å; F439-W507 AromaticContact CZ-CD2 3.54Å; F439-W507 HydrophobicContact CZ-CD2 3.54Å; F439-W507 AromaticContact CZ-CE2 3.4Å; F439-W507 VanDerWaalsContact CZ-CE2 3.4Å; F439-W507 AromaticContact CZ-CE3 3.7Å; F439-W507 HydrophobicContact CZ-CE3 3.7Å; F439-W507 HydrophobicContact CZ-CG 4.28Å; F439-W507 AromaticContact CZ-CH2 3.63Å; F439-W507 HydrophobicContact CZ-CH2 3.63Å; F439-W507 AromaticContact CZ-CZ2 3.45Å; F439-W507 HydrophobicContact CZ-CZ2 3.45Å; F439-W507 VanDerWaalsContact CZ-CZ2 3.45Å; F439-W507 AromaticContact CZ-CZ3 3.75Å; F439-W507 HydrophobicContact CZ-CZ3 3.75Å; A443-W507 HydrophobicContact CB-CH2 3.52Å; A443-W507 HydrophobicContact CB-CZ2 3.98Å; L473-W507 HydrophobicContact CD1-CD2 4.12Å; L473-W507 HydrophobicContact CD1-CE3 3.72Å; L473-W507 HydrophobicContact CD1-CH2 3.56Å; L473-W507 HydrophobicContact CD1-CZ2 3.99Å; L473-W507 HydrophobicContact CD1-CZ3 3.42Å; L473-W507 VanDerWaalsContact CD1-CZ3 3.42Å; L473-W507 HydrophobicContact CD2-CH2 4.29Å; L473-W507 HydrophobicContact CG-CH2 3.73Å; L473-W507 HydrophobicContact CG-CZ2 4.39Å; L473-W507 HydrophobicContact CG-CZ3 3.87Å; L476-W507 HydrophobicContact CD2-CB 4.47Å; L476-W507 HydrophobicContact CD2-CE3 4.01Å; L476-W507 HydrophobicContact CG-CE3 4.11Å; C477-W507 HydrophobicContact CB-CH2 4.14Å; C477-W507 HydrophobicContact CB-CZ3 3.83Å; V480-W507 HydrophobicContact CG2-CB 4.23Å; V480-W507 HydrophobicContact CG2-CE3 3.96Å; F503-W507 WeakPolarHBondContact O-CB 3.4Å; F503-W507 PolarHBondContact O-N 3.3Å; K504-W507 WeakPolarHBondContact O-CB 3.4Å; K504-W507 PolarHBondContact O-N 3.29Å; K504-W507 VanDerWaalsContact O-N 3.13Å; W507-K509 VanDerWaalsContact C-N 3.27Å; W507-K509 PolarHBondContact O-N 2.82Å; W507-Q510 PolarHBondContact O-N 3.37Å; W507-V511 HydrophobicContact CD2-CG2 4.2Å; W507-V511 HydrophobicContact CG-CG2 4.35Å; W507-V511 HydrophobicContact CZ2-CG2 4.04Å; W507-V511 WeakPolarHBondContact O-CG2 3.5Å; W507-V511 PolarHBondContact O-N 3.46Å
508E95.1Very high93.8Very high54 Ų5441 Ų4125%0.25220%0.202SC..Hα-helixtrans-56.4-42.4-179.2-70.7173.9176.300111.7K504 R512K504-E508 VanDerWaalsContact CE-OE1 3.31Å; K504-E508 WeakPolarHBondContact CE-OE1 3.39Å; K504-E508 VanDerWaalsContact NZ-CD 3.32Å; K504-E508 IonicContact NZ-OE1 2.72Å; K504-E508 PolarHBondContact NZ-OE1 3.01Å; K504-E508 IonicContact NZ-OE2 3.62Å; K504-E508 PolarHBondContact NZ-OE2 3.21Å; K504-E508 WeakPolarHBondContact O-CG 3.33Å; K504-E508 PolarHBondContact O-N 3.2Å; E508-R512 PolarHBondContact O-N 2.94Å; E508-R512 VanDerWaalsContact O-N 3.1Å
509K93.8Very high93.7Very high127 Ų12739 Ų3955%0.55219%0.191SC*.Hα-helixtrans-65-42.9174.9-73169.9-172.7164.70112.6D505 W507 R512 V513D505-K509 WeakPolarHBondContact O-CB 3.48Å; D505-K509 WeakPolarHBondContact O-CD 3.3Å; D505-K509 VanDerWaalsContact O-CG 3.25Å; D505-K509 WeakPolarHBondContact O-CG 3.43Å; D505-K509 PolarHBondContact O-N 3.38Å; W507-K509 VanDerWaalsContact C-N 3.27Å; W507-K509 PolarHBondContact O-N 2.82Å; K509-R512 PolarHBondContact O-N 3.4Å; K509-V513 WeakPolarHBondContact O-CG2 3.42Å; K509-V513 PolarHBondContact O-N 3.41Å
510Q94.3Very high93.5Very high6 Ų644.1 Ų44.13%0.02822%0.219CC..Hα-helixtrans-70.4-38-177.6-171.263.346.900112.1A469 Q472 L473 L476 Q506 W507 R512 V513 L514A469-Q510 PolarHBondContact O-NE2 3.03Å; Q472-Q510 HydrophobicContact CB-CG 4.49Å; L473-Q510 HydrophobicContact CB-CG 4.07Å; L473-Q510 HydrophobicContact CD1-CB 3.96Å; L473-Q510 HydrophobicContact CD1-CG 3.71Å; L476-Q510 HydrophobicContact CD2-CB 3.96Å; L476-Q510 HydrophobicContact CD2-CG 4.41Å; Q506-Q510 WeakPolarHBondContact O-CB 3.34Å; Q506-Q510 PolarHBondContact O-N 3.41Å; Q506-Q510 VanDerWaalsContact O-N 3.08Å; W507-Q510 PolarHBondContact O-N 3.37Å; Q510-R512 VanDerWaalsContact C-N 3.34Å; Q510-V513 PolarHBondContact O-N 3.5Å; Q510-L514 PolarHBondContact O-N 3Å
511V95.7Very high93.1Very high4 Ų445 Ų452%0.02422%0.223CC..Hα-helixtrans-60.5-46.3172.5169.30000110T413 L446 L473 W507 V513 L514 T515T413-V511 HydrophobicContact CG2-CG1 3.98Å; L446-V511 HydrophobicContact CD1-CG2 4.36Å; L473-V511 HydrophobicContact CD1-CG2 3.74Å; L473-V511 HydrophobicContact CD2-CG2 4.29Å; W507-V511 HydrophobicContact CD2-CG2 4.2Å; W507-V511 HydrophobicContact CG-CG2 4.35Å; W507-V511 HydrophobicContact CZ2-CG2 4.04Å; W507-V511 WeakPolarHBondContact O-CG2 3.5Å; W507-V511 PolarHBondContact O-N 3.46Å; V511-V513 PolarHBondContact O-N 2.99Å; V511-L514 WeakPolarHBondContact O-CB 3.45Å; V511-L514 PolarHBondContact O-N 3.25Å; V511-L514 VanDerWaalsContact O-N 3.09Å; V511-T515 HydrophobicContact CG1-CG2 4.38Å; V511-T515 WeakPolarHBondContact O-CG2 3.34Å; V511-T515 PolarHBondContact O-N 3.16Å; V511-T515 PolarHBondContact O-OG1 2.97Å
512R92.5Very high92.7Very high162 Ų16242.9 Ų42.961%0.61121%0.213SC*.Hα-helixtrans-58.6-46.6176.3-171.7176.9-62.3-174.8-1.2112.4E508 K509 Q510 L514 T515 D516E508-R512 PolarHBondContact O-N 2.94Å; E508-R512 VanDerWaalsContact O-N 3.1Å; K509-R512 PolarHBondContact O-N 3.4Å; Q510-R512 VanDerWaalsContact C-N 3.34Å; R512-L514 PolarHBondContact O-N 2.87Å; R512-T515 WeakPolarHBondContact CA-OG1 3.36Å; R512-T515 PolarHBondContact O-N 3.25Å; R512-T515 PolarHBondContact O-OG1 2.67Å; R512-D516 WeakPolarHBondContact O-CB 3.49Å; R512-D516 PolarHBondContact O-N 3.17Å
513V92.7Very high92.2Very high76 Ų7642.5 Ų42.546%0.46121%0.212SC..Hα-helixtrans-57.7-38.5175.5170.30000111.8A469 K509 Q510 V511 A517A469-V513 HydrophobicContact CB-CG1 4.13Å; K509-V513 WeakPolarHBondContact O-CG2 3.42Å; K509-V513 PolarHBondContact O-N 3.41Å; Q510-V513 PolarHBondContact O-N 3.5Å; V511-V513 PolarHBondContact O-N 2.99Å; V513-A517 VanDerWaalsContact O-CB 3.26Å; V513-A517 WeakPolarHBondContact O-CB 3.24Å; V513-A517 PolarHBondContact O-N 2.69Å; V513-A517 VanDerWaalsContact O-N 3.15Å
514L95.1Very high91.7Very high1 Ų143.1 Ų43.11%0.00522%0.216CC..Hα-helixtrans-68.3-46.2176.4179.763.9000111.8L446 A450 V466 A469 A470 L473 Q510 V511 R512 A517 V518L446-L514 HydrophobicContact CB-CD2 4.44Å; A450-L514 HydrophobicContact CB-CD1 3.78Å; A450-L514 HydrophobicContact CB-CD2 4.35Å; A450-L514 HydrophobicContact CB-CG 4.33Å; V466-L514 HydrophobicContact CG1-CD1 4.17Å; A469-L514 HydrophobicContact CB-CB 4.19Å; A469-L514 HydrophobicContact CB-CD1 3.85Å; A470-L514 HydrophobicContact CB-CD1 4.04Å; L473-L514 HydrophobicContact CD2-CD2 3.59Å; Q510-L514 PolarHBondContact O-N 3Å; V511-L514 WeakPolarHBondContact O-CB 3.45Å; V511-L514 PolarHBondContact O-N 3.25Å; V511-L514 VanDerWaalsContact O-N 3.09Å; R512-L514 PolarHBondContact O-N 2.87Å; L514-A517 PolarHBondContact O-N 3.04Å; L514-V518 HydrophobicContact CD1-CG2 4.34Å; L514-V518 VanDerWaalsContact O-CG2 3.3Å; L514-V518 WeakPolarHBondContact O-CG2 3.36Å; L514-V518 PolarHBondContact O-N 3.34Å
515T92.5Very high90.9Very high16 Ų1641.9 Ų41.910%0.09821%0.211CC..Hα-helixtrans-64.3-43.8-178.853.90000111.6F410 V511 R512 A517 V518 D519F410-T515 HydrophobicContact CB-CG2 4.2Å; F410-T515 HydrophobicContact CD1-CG2 4.16Å; F410-T515 HydrophobicContact CD2-CG2 3.71Å; F410-T515 HydrophobicContact CE1-CG2 4.46Å; F410-T515 HydrophobicContact CE2-CG2 4.03Å; F410-T515 HydrophobicContact CG-CG2 3.79Å; F410-T515 HydrophobicContact CZ-CG2 4.4Å; V511-T515 HydrophobicContact CG1-CG2 4.38Å; V511-T515 WeakPolarHBondContact O-CG2 3.34Å; V511-T515 PolarHBondContact O-N 3.16Å; V511-T515 PolarHBondContact O-OG1 2.97Å; R512-T515 WeakPolarHBondContact CA-OG1 3.36Å; R512-T515 PolarHBondContact O-N 3.25Å; R512-T515 PolarHBondContact O-OG1 2.67Å; T515-A517 PolarHBondContact O-N 2.82Å; T515-V518 PolarHBondContact O-N 3.24Å; T515-D519 VanDerWaalsContact O-CG 3.31Å; T515-D519 PolarHBondContact O-N 3.06Å
516D90.3Very high90.3Very high57 Ų5738.8 Ų38.831%0.30520%0.195SC..Hα-helixtrans-64.3-43179.1-59.4-3.8000110.3R512 V518 D519 D520 H570R512-D516 WeakPolarHBondContact O-CB 3.49Å; R512-D516 PolarHBondContact O-N 3.17Å; D516-V518 VanDerWaalsContact C-N 3.31Å; D516-V518 PolarHBondContact O-N 2.92Å; D516-D519 WeakPolarHBondContact O-CB 3.42Å; D516-D519 PolarHBondContact O-N 3.46Å; D516-D520 PolarHBondContact O-N 3.19Å; D516-H570 IonicContact OD1-NE2 3.05Å
517A91.4Very high90Very high10 Ų1037.2 Ų37.28%0.08319%0.187CC..Hα-helixtrans-65-33.6176.400000112.8L465 V466 V513 L514 T515L465-A517 HydrophobicContact CB-CB 4.5Å; V466-A517 HydrophobicContact CG2-CB 3.72Å; V466-A517 WeakPolarHBondContact CG2-O 3.14Å; V513-A517 VanDerWaalsContact O-CB 3.26Å; V513-A517 WeakPolarHBondContact O-CB 3.24Å; V513-A517 PolarHBondContact O-N 2.69Å; V513-A517 VanDerWaalsContact O-N 3.15Å; L514-A517 PolarHBondContact O-N 3.04Å; T515-A517 PolarHBondContact O-N 2.82Å
518V94.1Very high89.6Confident0 Ų037.2 Ų37.20%019%0.187CC..Hα-helixtrans-70.1-38.7174.6171.20000110.3V406 F410 A450 A453 V466 L514 T515 D516 D520 I521 T522V406-V518 HydrophobicContact CG2-CG1 3.8Å; F410-V518 HydrophobicContact CE2-CB 3.88Å; F410-V518 HydrophobicContact CE2-CG1 3.78Å; F410-V518 HydrophobicContact CE2-CG2 4.18Å; F410-V518 HydrophobicContact CZ-CB 4.42Å; F410-V518 HydrophobicContact CZ-CG1 4.37Å; F410-V518 HydrophobicContact CZ-CG2 4.22Å; A450-V518 HydrophobicContact CB-CG2 3.79Å; A453-V518 HydrophobicContact CB-CG1 4.02Å; V466-V518 HydrophobicContact CG1-CG2 3.68Å; V466-V518 HydrophobicContact CG2-CG2 4.01Å; L514-V518 HydrophobicContact CD1-CG2 4.34Å; L514-V518 VanDerWaalsContact O-CG2 3.3Å; L514-V518 WeakPolarHBondContact O-CG2 3.36Å; L514-V518 PolarHBondContact O-N 3.34Å; T515-V518 PolarHBondContact O-N 3.24Å; D516-V518 VanDerWaalsContact C-N 3.31Å; D516-V518 PolarHBondContact O-N 2.92Å; V518-D520 VanDerWaalsContact C-N 3.32Å; V518-D520 PolarHBondContact O-N 2.92Å; V518-I521 WeakPolarHBondContact O-CG1 3.23Å; V518-I521 PolarHBondContact O-N 3.13Å; V518-T522 HydrophobicContact CG1-CG2 4.23Å; V518-T522 VanDerWaalsContact O-CG2 3.31Å; V518-T522 WeakPolarHBondContact O-CG2 3.47Å; V518-T522 PolarHBondContact O-N 3.09Å; V518-T522 PolarHBondContact O-OG1 2.96Å; V518-T522 VanDerWaalsContact O-OG1 3.04Å
519D90.4Very high89.1Confident25 Ų2535 Ų3513%0.13418%0.177CC..Hα-helixtrans-58-44.5173.5-67.5-29.3000111.6T515 D516 I521 T522 R567T515-D519 VanDerWaalsContact O-CG 3.31Å; T515-D519 PolarHBondContact O-N 3.06Å; D516-D519 WeakPolarHBondContact O-CB 3.42Å; D516-D519 PolarHBondContact O-N 3.46Å; D519-I521 PolarHBondContact O-N 3.42Å; D519-I521 VanDerWaalsContact O-N 3.08Å; D519-T522 WeakPolarHBondContact CA-OG1 3.38Å; D519-T522 PolarHBondContact O-N 2.67Å; D519-T522 VanDerWaalsContact O-O 3.12Å; D519-T522 PolarHBondContact O-OG1 3.25Å; D519-R567 IonicContact OD1-CZ 3.77Å; D519-R567 IonicContact OD1-NH1 2.64Å; D519-R567 IonicContact OD1-NH2 3.47Å; D519-R567 PolarHBondContact OD1-NH2 2.77Å; D519-R567 IonicContact OD2-CZ 3.14Å; D519-R567 IonicContact OD2-NH1 3.08Å; D519-R567 PolarHBondContact OD2-NH1 3.42Å; D519-R567 IonicContact OD2-NH2 4Å; D519-R567 PolarHBondContact OD2-NH2 2.57Å
520D87.4Confident88.8Confident108 Ų10829 Ų2958%0.57815%0.152SC*.THydrogen-bonded Turntrans-59.6-22.5179-69.8-22.6000114.8D516 V518D516-D520 PolarHBondContact O-N 3.19Å; V518-D520 VanDerWaalsContact C-N 3.32Å; V518-D520 PolarHBondContact O-N 2.92Å
521I86.4Confident88.6Confident19 Ų1928.7 Ų28.710%0.09715%0.15CC..THydrogen-bonded Turntrans-103.1-3.3178.664.9162.3000113.7A453 S457 N459 V466 V518 D519A453-I521 HydrophobicContact CB-CD1 3.94Å; S457-I521 PolarHBondContact OG-O 3.36Å; N459-I521 HydrophobicContact CB-CG2 4.31Å; V466-I521 HydrophobicContact CB-CD1 4.42Å; V466-I521 HydrophobicContact CG2-CD1 3.8Å; V466-I521 HydrophobicContact CG2-CG1 4.09Å; V466-I521 HydrophobicContact CG2-CG2 4.38Å; V518-I521 WeakPolarHBondContact O-CG1 3.23Å; V518-I521 PolarHBondContact O-N 3.13Å; D519-I521 PolarHBondContact O-N 3.42Å; D519-I521 VanDerWaalsContact O-N 3.08Å
522T86.8Confident88.3Confident25 Ų2529.2 Ų29.215%0.15315%0.152CC..SBendtrans-107.1154.318055.20000110.5V402 M403 A453 V518 D519V402-T522 HydrophobicContact CG1-CG2 4.38Å; M403-T522 VanDerWaalsContact CE-CB 3.49Å; M403-T522 HydrophobicContact CE-CG2 3.46Å; M403-T522 VanDerWaalsContact CE-CG2 3.46Å; M403-T522 HydrophobicContact SD-CG2 4.13Å; A453-T522 HydrophobicContact CB-CG2 4.43Å; V518-T522 HydrophobicContact CG1-CG2 4.23Å; V518-T522 VanDerWaalsContact O-CG2 3.31Å; V518-T522 WeakPolarHBondContact O-CG2 3.47Å; V518-T522 PolarHBondContact O-N 3.09Å; V518-T522 PolarHBondContact O-OG1 2.96Å; V518-T522 VanDerWaalsContact O-OG1 3.04Å; D519-T522 WeakPolarHBondContact CA-OG1 3.38Å; D519-T522 PolarHBondContact O-N 2.67Å; D519-T522 VanDerWaalsContact O-O 3.12Å; D519-T522 PolarHBondContact O-OG1 3.25Å
523S82.9Confident88Confident42 Ų4225.4 Ų25.429%0.29414%0.144SC..  trans-84.1128.6178.7178.80000109.9D525 D526 F527S523-D525 PolarHBondContact O-N 2.89Å; S523-D525 PolarHBondContact OG-N 3.04Å; S523-D526 PolarHBondContact O-N 3.39Å; S523-F527 WeakPolarHBondContact O-CB 3.47Å; S523-F527 PolarHBondContact O-N 3.26Å
524I83.8Confident87.9Confident13 Ų1322.1 Ų22.17%0.06712%0.124CC..Hα-helixtrans-56.4-32.4171-172.5166.7000111.8F527 L528 V571 V572 E575 V644 R648I524-F527 PolarHBondContact O-N 3.27Å; I524-L528 HydrophobicContact CD1-CD1 4.23Å; I524-L528 HydrophobicContact CG1-CD1 3.74Å; I524-L528 HydrophobicContact CG1-CG 4.03Å; I524-L528 WeakPolarHBondContact O-CB 3.23Å; I524-L528 VanDerWaalsContact O-CG 3.24Å; I524-L528 WeakPolarHBondContact O-CG 3.49Å; I524-L528 PolarHBondContact O-N 2.92Å; I524-V571 HydrophobicContact CD1-CG1 4.32Å; I524-V571 HydrophobicContact CG1-CG1 4.3Å; I524-V572 HydrophobicContact CD1-CG2 4.15Å; I524-E575 HydrophobicContact CD1-CB 3.71Å; I524-E575 HydrophobicContact CD1-CG 3.58Å; I524-E575 HydrophobicContact CG2-CG 4.49Å; I524-V644 HydrophobicContact CD1-CG1 4.15Å; I524-V644 HydrophobicContact CG1-CG1 4.43Å; I524-V644 HydrophobicContact CG2-CG1 4.47Å; I524-R648 VanDerWaalsContact CG2-NH2 3.31Å
525D80.1Confident87.9Confident23 Ų2322.1 Ų22.112%0.12312%0.124CC..Hα-helixtrans-69.5-45.4-178.8-53.1-29.9000111.1S523 F527 S529 L645 R648S523-D525 PolarHBondContact O-N 2.89Å; S523-D525 PolarHBondContact OG-N 3.04Å; D525-F527 VanDerWaalsContact C-N 3.35Å; D525-S529 WeakPolarHBondContact O-CB 3.44Å; D525-S529 PolarHBondContact O-N 3.2Å; D525-L645 HydrophobicContact CB-CD2 4.21Å; D525-L645 WeakPolarHBondContact OD1-CD2 3.37Å; D525-R648 IonicContact OD1-CZ 3.94Å; D525-R648 IonicContact OD1-NE 2.63Å; D525-R648 PolarHBondContact OD1-NE 2.92Å; D525-R648 IonicContact OD1-NH2 2.69Å; D525-R648 IonicContact OD2-CZ 3Å; D525-R648 IonicContact OD2-NE 2.73Å; D525-R648 PolarHBondContact OD2-NE 3.35Å; D525-R648 IonicContact OD2-NH2 3.22Å
526D81.9Confident87.8Confident11 Ų1124.5 Ų24.56%0.05914%0.136CC..Hα-helixtrans-64.8-41.7175.9-72.2-36.8000109.8R399 M403 S523 S529 V530R399-D526 WeakPolarHBondContact CD-OD2 3.26Å; R399-D526 IonicContact NE-OD2 3.54Å; R399-D526 PolarHBondContact NE-OD2 2.91Å; M403-D526 HydrophobicContact CE-CB 4.3Å; M403-D526 HydrophobicContact CG-CB 3.62Å; M403-D526 HydrophobicContact SD-CB 4.2Å; S523-D526 PolarHBondContact O-N 3.39Å; D526-S529 PolarHBondContact O-N 3.2Å; D526-V530 PolarHBondContact O-N 2.63Å
527F87.8Confident87.9Confident3 Ų324.3 Ų24.31%0.01313%0.133CC..Hα-helixtrans-62.4-46.5177.8170.7-97.8000112.5M403 V406 S523 I524 D525 V530 S531 R567 V568 V571M403-F527 HydrophobicContact SD-CB 4.13Å; V406-F527 HydrophobicContact CG1-CD2 4.49Å; S523-F527 WeakPolarHBondContact O-CB 3.47Å; S523-F527 PolarHBondContact O-N 3.26Å; I524-F527 PolarHBondContact O-N 3.27Å; D525-F527 VanDerWaalsContact C-N 3.35Å; F527-V530 PolarHBondContact O-N 2.84Å; F527-S531 WeakPolarHBondContact CE2-OG 3.47Å; F527-S531 WeakPolarHBondContact CZ-OG 2.83Å; F527-S531 VanDerWaalsContact O-CB 3.23Å; F527-S531 WeakPolarHBondContact O-CB 3.44Å; F527-S531 PolarHBondContact O-N 3.29Å; F527-S531 PolarHBondContact O-OG 3.33Å; F527-R567 HydrophobicContact CE2-CG 4.4Å; F527-R567 HydrophobicContact CZ-CG 4.01Å; F527-V568 HydrophobicContact CE1-CG2 4.02Å; F527-V568 HydrophobicContact CZ-CG2 4.14Å; F527-V571 HydrophobicContact CD1-CB 4.18Å; F527-V571 HydrophobicContact CD1-CG1 3.89Å; F527-V571 HydrophobicContact CD1-CG2 4.18Å; F527-V571 HydrophobicContact CE1-CB 3.75Å; F527-V571 HydrophobicContact CE1-CG1 4.01Å; F527-V571 HydrophobicContact CE1-CG2 3.61Å; F527-V571 HydrophobicContact CE2-CG2 4.31Å; F527-V571 HydrophobicContact CZ-CB 4.34Å; F527-V571 HydrophobicContact CZ-CG2 3.7Å
528L87.3Confident88Confident0 Ų024.5 Ų24.50%013%0.133CC..Hα-helixtrans-68-38.2178.7-71.6172.8000111.8I524 S531 E532 V568 V572 R641 V644I524-L528 HydrophobicContact CD1-CD1 4.23Å; I524-L528 HydrophobicContact CG1-CD1 3.74Å; I524-L528 HydrophobicContact CG1-CG 4.03Å; I524-L528 WeakPolarHBondContact O-CB 3.23Å; I524-L528 VanDerWaalsContact O-CG 3.24Å; I524-L528 WeakPolarHBondContact O-CG 3.49Å; I524-L528 PolarHBondContact O-N 2.92Å; L528-S531 PolarHBondContact O-N 3.14Å; L528-E532 WeakPolarHBondContact O-CB 3.23Å; L528-E532 PolarHBondContact O-N 3.46Å; L528-V568 HydrophobicContact CD2-CG1 3.82Å; L528-V572 HydrophobicContact CD1-CG2 4.31Å; L528-V572 HydrophobicContact CD2-CG2 3.76Å; L528-R641 HydrophobicContact CB-CB 4.23Å; L528-R641 HydrophobicContact CB-CG 3.91Å; L528-V644 HydrophobicContact CD1-CB 3.8Å; L528-V644 HydrophobicContact CD1-CG1 3.77Å; L528-V644 HydrophobicContact CD1-CG2 3.89Å
529S84.7Confident88.1Confident6 Ų625 Ų254%0.04214%0.135CC..Hα-helixtrans-62-44.6175.5178.70000112.2D525 D526 N533D525-S529 WeakPolarHBondContact O-CB 3.44Å; D525-S529 PolarHBondContact O-N 3.2Å; D526-S529 PolarHBondContact O-N 3.2Å; S529-N533 PolarHBondContact O-N 3.18Å; S529-N533 PolarHBondContact O-ND2 2.79Å
530V86.8Confident88.2Confident2 Ų227.9 Ų27.91%0.01215%0.151CC..Hα-helixtrans-71.5-40.9177.91690000111.3K400 M403 D404 D526 F527 E532 N533 H534K400-V530 HydrophobicContact CB-CG2 4.48Å; M403-V530 HydrophobicContact CB-CB 3.91Å; M403-V530 HydrophobicContact CB-CG1 4.21Å; M403-V530 HydrophobicContact CB-CG2 3.68Å; M403-V530 HydrophobicContact CG-CG2 4.48Å; D404-V530 VanDerWaalsContact OD1-CG1 3.23Å; D404-V530 WeakPolarHBondContact OD1-CG1 3.42Å; D526-V530 PolarHBondContact O-N 2.63Å; F527-V530 PolarHBondContact O-N 2.84Å; V530-E532 VanDerWaalsContact C-N 3.34Å; V530-E532 PolarHBondContact O-N 3.34Å; V530-N533 PolarHBondContact O-N 3.21Å; V530-H534 PolarHBondContact O-N 3.46Å
531S91.1Very high88.6Confident0 Ų027.1 Ų27.10%014%0.143CC..Hα-helixtrans-62.8-39.5178.9-61.10000112.2F527 L528 N533 H534 I535F527-S531 WeakPolarHBondContact CE2-OG 3.47Å; F527-S531 WeakPolarHBondContact CZ-OG 2.83Å; F527-S531 VanDerWaalsContact O-CB 3.23Å; F527-S531 WeakPolarHBondContact O-CB 3.44Å; F527-S531 PolarHBondContact O-N 3.29Å; F527-S531 PolarHBondContact O-OG 3.33Å; L528-S531 PolarHBondContact O-N 3.14Å; S531-N533 PolarHBondContact O-N 3.24Å; S531-H534 PolarHBondContact O-N 3.05Å; S531-I535 WeakPolarHBondContact O-CB 3.15Å; S531-I535 WeakPolarHBondContact O-CG1 3.45Å; S531-I535 PolarHBondContact O-N 3.15Å
532E88.7Confident89Confident14 Ų1426.2 Ų26.27%0.06514%0.138CC..Hα-helixtrans-58.1-46.9173178.1-179.3167.600111.8L528 V530 I535 L536 Y634 I637 R638 R641L528-E532 WeakPolarHBondContact O-CB 3.23Å; L528-E532 PolarHBondContact O-N 3.46Å; V530-E532 VanDerWaalsContact C-N 3.34Å; V530-E532 PolarHBondContact O-N 3.34Å; E532-I535 PolarHBondContact O-N 3.46Å; E532-L536 PolarHBondContact O-N 3.37Å; E532-Y634 HydrophobicContact CG-CD2 4.23Å; E532-Y634 HydrophobicContact CG-CE2 3.52Å; E532-Y634 PolarHBondContact OE1-OH 3.19Å; E532-I637 HydrophobicContact CB-CG2 4.42Å; E532-R638 WeakPolarHBondContact OE1-CG 3.45Å; E532-R641 WeakPolarHBondContact OE2-CD 3.47Å; E532-R641 IonicContact OE2-CZ 3.84Å; E532-R641 IonicContact OE2-NE 3.5Å; E532-R641 IonicContact OE2-NH1 3.2Å; E532-R641 PolarHBondContact OE2-NH1 3.16Å
533N86.8Confident89.4Confident83 Ų8326 Ų2644%0.44414%0.137SC..Hα-helixtrans-65.1-43.1-180-69.8-20.4000112.2S529 V530 S531 L536 E537S529-N533 PolarHBondContact O-N 3.18Å; S529-N533 PolarHBondContact O-ND2 2.79Å; V530-N533 PolarHBondContact O-N 3.21Å; S531-N533 PolarHBondContact O-N 3.24Å; N533-L536 PolarHBondContact O-N 2.97Å; N533-E537 PolarHBondContact O-N 3.22Å
534H89.9Confident89.9Confident7 Ų727.9 Ų27.93%0.03214%0.142CC..Hα-helixtrans-66-37.6177.2-72.4178.7000112.2R326 D404 S407 D408 V530 S531 L536 E537 D538 R564R326-H534 PolarHBondContact NH1-CD2 3.24Å; R326-H534 VanDerWaalsContact NH1-CD2 3.3Å; R326-H534 PolarHBondContact NH1-NE2 2.64Å; D404-H534 IonicContact OD1-NE2 2.95Å; S407-H534 PolarHBondContact OG-ND1 3.08Å; D408-H534 IonicContact OD1-CE1 3.81Å; D408-H534 PolarHBondContact OD1-CE1 2.86Å; D408-H534 IonicContact OD1-ND1 3.81Å; D408-H534 PolarHBondContact OD1-ND1 3.35Å; D408-H534 IonicContact OD2-CE1 3.56Å; V530-H534 PolarHBondContact O-N 3.46Å; S531-H534 PolarHBondContact O-N 3.05Å; H534-L536 VanDerWaalsContact C-N 3.34Å; H534-E537 PolarHBondContact O-N 2.9Å; H534-D538 VanDerWaalsContact O-CB 3.3Å; H534-D538 WeakPolarHBondContact O-CB 3.39Å; H534-D538 PolarHBondContact O-N 2.74Å; H534-R564 VanDerWaalsContact CB-CZ 3.42Å; H534-R564 PolarHBondContact ND1-NH1 3.09Å
535I94.5Very high90.4Very high0 Ų027.5 Ų27.50%014%0.141CC..Hα-helixtrans-62.7-43.4173.9-69.9-77.8000110.8S531 E532 E537 D538 V539 I561 R564 V633 I637S531-I535 WeakPolarHBondContact O-CB 3.15Å; S531-I535 WeakPolarHBondContact O-CG1 3.45Å; S531-I535 PolarHBondContact O-N 3.15Å; E532-I535 PolarHBondContact O-N 3.46Å; I535-E537 VanDerWaalsContact C-N 3.32Å; I535-E537 PolarHBondContact O-N 3.02Å; I535-D538 PolarHBondContact O-N 3.13Å; I535-V539 HydrophobicContact CG2-CG2 4.15Å; I535-V539 VanDerWaalsContact O-CB 3.26Å; I535-V539 WeakPolarHBondContact O-CB 2.98Å; I535-V539 VanDerWaalsContact O-CG2 3.23Å; I535-V539 WeakPolarHBondContact O-CG2 3.24Å; I535-V539 PolarHBondContact O-N 3.38Å; I535-I561 HydrophobicContact CD1-CG2 4.34Å; I535-R564 HydrophobicContact CD1-CB 3.87Å; I535-R564 HydrophobicContact CD1-CG 4.19Å; I535-R564 HydrophobicContact CG1-CG 4.39Å; I535-V633 HydrophobicContact CG2-CG1 4.16Å; I535-I637 HydrophobicContact CB-CD1 4.25Å; I535-I637 HydrophobicContact CD1-CD1 3.47Å; I535-I637 VanDerWaalsContact CD1-CD1 3.47Å; I535-I637 HydrophobicContact CG1-CD1 3.4Å; I535-I637 VanDerWaalsContact CG1-CD1 3.4Å; I535-I637 HydrophobicContact CG2-CD1 4.12Å
536L91.9Very high91Very high67 Ų6726.7 Ų26.735%0.35114%0.137SC..Hα-helixtrans-59.8-44.8176.9-178.660.3000111.4E532 N533 H534 N540 Y634E532-L536 PolarHBondContact O-N 3.37Å; N533-L536 PolarHBondContact O-N 2.97Å; H534-L536 VanDerWaalsContact C-N 3.34Å; L536-N540 WeakPolarHBondContact O-CB 3.36Å; L536-N540 VanDerWaalsContact O-CG 3.26Å; L536-N540 PolarHBondContact O-N 2.95Å; L536-N540 PolarHBondContact O-ND2 3.26Å; L536-Y634 HydrophobicContact CB-CD2 3.75Å; L536-Y634 HydrophobicContact CB-CE2 3.87Å; L536-Y634 HydrophobicContact CD1-CD2 4.07Å; L536-Y634 HydrophobicContact CD1-CE2 4.23Å; L536-Y634 HydrophobicContact CD1-CG 4.3Å; L536-Y634 HydrophobicContact CD2-CE2 4.24Å; L536-Y634 HydrophobicContact CG-CD2 4.4Å; L536-Y634 HydrophobicContact CG-CE2 4.34Å
537E91.1Very high91.5Very high53 Ų5331.5 Ų31.525%0.24816%0.159CC..Hα-helixtrans-62.8-47.9175.8-175.1-171.217700112.2R326 N533 H534 I535 N540 K541R326-E537 IonicContact CZ-OE1 2.96Å; R326-E537 IonicContact CZ-OE2 2.67Å; R326-E537 IonicContact NH1-OE2 2.68Å; R326-E537 PolarHBondContact NH1-OE2 3.39Å; R326-E537 IonicContact NH2-OE1 2.96Å; R326-E537 PolarHBondContact NH2-OE1 2.7Å; R326-E537 IonicContact NH2-OE2 3.23Å; R326-E537 PolarHBondContact NH2-OE2 3.08Å; N533-E537 PolarHBondContact O-N 3.22Å; H534-E537 PolarHBondContact O-N 2.9Å; I535-E537 VanDerWaalsContact C-N 3.32Å; I535-E537 PolarHBondContact O-N 3.02Å; E537-N540 PolarHBondContact O-N 2.72Å; E537-K541 HydrophobicContact CG-CD 4.4Å; E537-K541 WeakPolarHBondContact O-CG 3.29Å; E537-K541 PolarHBondContact O-N 2.85Å; E537-K541 VanDerWaalsContact OE1-CE 3.26Å; E537-K541 WeakPolarHBondContact OE1-CE 3.36Å; E537-K541 IonicContact OE1-NZ 3.67Å; E537-K541 PolarHBondContact OE1-NZ 2.71Å
538D94.3Very high91.8Very high14 Ų1438.1 Ų38.18%0.07519%0.19CC..Hα-helixtrans-65.5-40.2-178.1-68.8-27.2000110.6H534 I535 K541 C542 I561 R564H534-D538 VanDerWaalsContact O-CB 3.3Å; H534-D538 WeakPolarHBondContact O-CB 3.39Å; H534-D538 PolarHBondContact O-N 2.74Å; I535-D538 PolarHBondContact O-N 3.13Å; D538-K541 PolarHBondContact O-N 3.06Å; D538-C542 VanDerWaalsContact O-CB 3.27Å; D538-C542 WeakPolarHBondContact O-CB 3.37Å; D538-C542 PolarHBondContact O-N 2.95Å; D538-I561 HydrophobicContact CB-CD1 4.25Å; D538-I561 HydrophobicContact CB-CG1 3.61Å; D538-R564 IonicContact OD2-CZ 2.69Å; D538-R564 IonicContact OD2-NE 2.91Å; D538-R564 PolarHBondContact OD2-NE 3.19Å; D538-R564 IonicContact OD2-NH2 3.41Å; D538-R564 PolarHBondContact OD2-NH2 3.27Å
539V94.7Very high92Very high9 Ų945.4 Ų45.46%0.05522%0.222CC..Hα-helixtrans-61.4-46.2173.2163.10000111.2I535 K541 C542 V543 I561I535-V539 HydrophobicContact CG2-CG2 4.15Å; I535-V539 VanDerWaalsContact O-CB 3.26Å; I535-V539 WeakPolarHBondContact O-CB 2.98Å; I535-V539 VanDerWaalsContact O-CG2 3.23Å; I535-V539 WeakPolarHBondContact O-CG2 3.24Å; I535-V539 PolarHBondContact O-N 3.38Å; V539-K541 PolarHBondContact O-N 2.95Å; V539-C542 WeakPolarHBondContact O-CB 2.97Å; V539-C542 PolarHBondContact O-N 3.42Å; V539-V543 WeakPolarHBondContact O-CG2 3.21Å; V539-V543 PolarHBondContact O-N 2.96Å; V539-I561 HydrophobicContact CG2-CD1 3.89Å; V539-I561 HydrophobicContact CG2-CG1 4.43Å
540N94Very high92.4Very high87 Ų8748.1 Ų48.147%0.46524%0.236SC..Hα-helixtrans-61.2-44176.9-76.1-29.9000111.6L536 E537 C542 V543 I544L536-N540 WeakPolarHBondContact O-CB 3.36Å; L536-N540 VanDerWaalsContact O-CG 3.26Å; L536-N540 PolarHBondContact O-N 2.95Å; L536-N540 PolarHBondContact O-ND2 3.26Å; E537-N540 PolarHBondContact O-N 2.72Å; N540-C542 VanDerWaalsContact C-N 3.31Å; N540-C542 PolarHBondContact O-N 3.42Å; N540-V543 PolarHBondContact O-N 2.99Å; N540-I544 VanDerWaalsContact O-CG1 3.26Å; N540-I544 WeakPolarHBondContact O-CG1 3.32Å; N540-I544 PolarHBondContact O-N 3.39Å
541K94.9Very high92.6Very high92 Ų9249.8 Ų49.840%0.425%0.246SC..Hα-helixtrans-63.3-37.2174.7-71.3175-175.1165.30112.3E537 D538 V539 I544 A545 T557E537-K541 HydrophobicContact CG-CD 4.4Å; E537-K541 WeakPolarHBondContact O-CG 3.29Å; E537-K541 PolarHBondContact O-N 2.85Å; E537-K541 VanDerWaalsContact OE1-CE 3.26Å; E537-K541 WeakPolarHBondContact OE1-CE 3.36Å; E537-K541 IonicContact OE1-NZ 3.67Å; E537-K541 PolarHBondContact OE1-NZ 2.71Å; D538-K541 PolarHBondContact O-N 3.06Å; V539-K541 PolarHBondContact O-N 2.95Å; K541-I544 PolarHBondContact O-N 2.92Å; K541-A545 WeakPolarHBondContact O-CB 3.3Å; K541-A545 PolarHBondContact O-N 2.78Å; K541-T557 HydrophobicContact CB-CG2 3.84Å
542C95.9Very high92.7Very high0 Ų056 Ų560%028%0.279CS..Hα-helixtrans-64.6-43.7178.1-158.50000111.4D538 V539 N540 A545 L546 L554 T557 I561D538-C542 VanDerWaalsContact O-CB 3.27Å; D538-C542 WeakPolarHBondContact O-CB 3.37Å; D538-C542 PolarHBondContact O-N 2.95Å; V539-C542 WeakPolarHBondContact O-CB 2.97Å; V539-C542 PolarHBondContact O-N 3.42Å; N540-C542 VanDerWaalsContact C-N 3.31Å; N540-C542 PolarHBondContact O-N 3.42Å; C542-A545 PolarHBondContact O-N 3.34Å; C542-L546 PolarHBondContact O-N 2.87Å; C542-L554 WeakPolarHBondContact O-CD1 3.48Å; C542-T557 WeakPolarHBondContact CA-OG1 3.32Å; C542-T557 WeakPolarHBondContact CB-OG1 3.16Å; C542-T557 PolarHBondContact SG-OG1 3.22Å; C542-T557 VanDerWaalsContact SG-OG1 3.37Å; C542-I561 HydrophobicContact CB-CD1 3.89Å
543V94.1Very high92.9Very high21 Ų2155.4 Ų55.413%0.12728%0.277CS..Hα-helixtrans-66.2-40.8174.6174.20000111.6V539 N540 L546 Q547 F626 I627V539-V543 WeakPolarHBondContact O-CG2 3.21Å; V539-V543 PolarHBondContact O-N 2.96Å; N540-V543 PolarHBondContact O-N 2.99Å; V543-L546 WeakPolarHBondContact O-CB 3.27Å; V543-L546 PolarHBondContact O-N 2.85Å; V543-Q547 WeakPolarHBondContact O-CG 3.48Å; V543-Q547 PolarHBondContact O-N 3.45Å; V543-F626 HydrophobicContact CG2-CD1 4.45Å; V543-F626 HydrophobicContact CG2-CE1 4.24Å; V543-I627 HydrophobicContact CG1-CD1 4.25Å; V543-I627 HydrophobicContact CG1-CG1 3.94Å; V543-I627 HydrophobicContact CG2-CG1 4.14Å
544I94.4Very high93.2Very high80 Ų8051.4 Ų51.441%0.4126%0.256SS..Hα-helixtrans-62.1-45.6175.1-68.8164.3000110.6N540 K541 L546 Q547 E548N540-I544 VanDerWaalsContact O-CG1 3.26Å; N540-I544 WeakPolarHBondContact O-CG1 3.32Å; N540-I544 PolarHBondContact O-N 3.39Å; K541-I544 PolarHBondContact O-N 2.92Å; I544-L546 VanDerWaalsContact C-N 3.27Å; I544-L546 PolarHBondContact O-N 3.34Å; I544-Q547 PolarHBondContact O-N 2.95Å; I544-Q547 VanDerWaalsContact O-N 3.1Å; I544-E548 HydrophobicContact CG2-CG 4.16Å; I544-E548 WeakPolarHBondContact O-CB 3.39Å; I544-E548 WeakPolarHBondContact O-CG 3.18Å; I544-E548 PolarHBondContact O-N 3.15Å
545A94.6Very high93.3Very high6 Ų655.2 Ų55.25%0.0528%0.276CS..Hα-helixtrans-59.6-38.3177.600000112K541 C542 E548 K549 D550 L554K541-A545 WeakPolarHBondContact O-CB 3.3Å; K541-A545 PolarHBondContact O-N 2.78Å; C542-A545 PolarHBondContact O-N 3.34Å; A545-E548 PolarHBondContact O-N 3.43Å; A545-K549 PolarHBondContact O-N 3.03Å; A545-D550 HydrophobicContact CB-CB 4.41Å; A545-D550 PolarHBondContact O-N 2.93Å; A545-L554 HydrophobicContact CB-CB 4.26Å
546L92.7Very high93.2Very high6 Ų663.5 Ų63.53%0.03131%0.307CS..Hα-helixtrans-61.1-49.1172.4178.164.1000111.9C542 V543 I544 E548 K549 L554 A610 L614 V621 E623 F626C542-L546 PolarHBondContact O-N 2.87Å; V543-L546 WeakPolarHBondContact O-CB 3.27Å; V543-L546 PolarHBondContact O-N 2.85Å; I544-L546 VanDerWaalsContact C-N 3.27Å; I544-L546 PolarHBondContact O-N 3.34Å; L546-E548 VanDerWaalsContact C-N 3.31Å; L546-E548 PolarHBondContact O-N 2.95Å; L546-K549 PolarHBondContact O-N 3.46Å; L546-K549 VanDerWaalsContact O-N 3.07Å; L546-L554 HydrophobicContact CB-CD1 4.2Å; L546-L554 HydrophobicContact CD1-CD2 4.32Å; L546-A610 HydrophobicContact CD1-CB 3.94Å; L546-L614 HydrophobicContact CD1-CD1 4.07Å; L546-V621 HydrophobicContact CD1-CB 4.49Å; L546-V621 HydrophobicContact CD1-CG1 4.11Å; L546-V621 HydrophobicContact CD1-CG2 4.41Å; L546-V621 HydrophobicContact CD2-CG1 4.37Å; L546-E623 HydrophobicContact CD2-CG 4.27Å; L546-F626 HydrophobicContact CB-CE1 4.47Å; L546-F626 HydrophobicContact CD2-CB 3.92Å; L546-F626 HydrophobicContact CD2-CD1 3.4Å; L546-F626 VanDerWaalsContact CD2-CD1 3.4Å; L546-F626 HydrophobicContact CD2-CD2 4.18Å; L546-F626 HydrophobicContact CD2-CE1 3.95Å; L546-F626 HydrophobicContact CD2-CG 3.55Å
547Q91.3Very high93.3Very high111 Ų11161 Ų6152%0.51930%0.295SS..Hα-helixtrans-63.3-37.3-180-70.7175.2-10.100112.3V543 I544 K549V543-Q547 WeakPolarHBondContact O-CG 3.48Å; V543-Q547 PolarHBondContact O-N 3.45Å; I544-Q547 PolarHBondContact O-N 2.95Å; I544-Q547 VanDerWaalsContact O-N 3.1Å; Q547-K549 VanDerWaalsContact C-N 3.25Å; Q547-K549 PolarHBondContact O-N 3.32Å
548E93.6Very high93.5Very high142 Ų14258.5 Ų58.566%0.66428%0.283SS*.Hα-helixtrans-79-8.1176.5-68-177.6169.500113I544 A545 L546 D550I544-E548 HydrophobicContact CG2-CG 4.16Å; I544-E548 WeakPolarHBondContact O-CB 3.39Å; I544-E548 WeakPolarHBondContact O-CG 3.18Å; I544-E548 PolarHBondContact O-N 3.15Å; A545-E548 PolarHBondContact O-N 3.43Å; L546-E548 VanDerWaalsContact C-N 3.31Å; L546-E548 PolarHBondContact O-N 2.95Å; E548-D550 PolarHBondContact O-N 2.7Å
549K91.3Very high93.4Very high154 Ų15458.6 Ų58.667%0.6729%0.287SS*.THydrogen-bonded Turntrans59.930.4-175-52.5-176.8178.5-176.70113.2A545 L546 Q547 V551 L614A545-K549 PolarHBondContact O-N 3.03Å; L546-K549 PolarHBondContact O-N 3.46Å; L546-K549 VanDerWaalsContact O-N 3.07Å; Q547-K549 VanDerWaalsContact C-N 3.25Å; Q547-K549 PolarHBondContact O-N 3.32Å; K549-V551 PolarHBondContact O-N 3.03Å; K549-L614 HydrophobicContact CB-CD2 3.96Å; K549-L614 HydrophobicContact CD-CD2 4.23Å; K549-L614 HydrophobicContact CG-CD2 3.84Å
550D93.1Very high93.3Very high63 Ų6359.1 Ų59.134%0.33729%0.292SS..  trans-84.394.1174.9179.512000110A545 E548 D552 G553 L554A545-D550 HydrophobicContact CB-CB 4.41Å; A545-D550 PolarHBondContact O-N 2.93Å; E548-D550 PolarHBondContact O-N 2.7Å; D550-D552 VanDerWaalsContact C-N 3.34Å; D550-D552 PolarHBondContact O-N 2.96Å; D550-D552 PolarHBondContact OD1-N 3.04Å; D550-G553 VanDerWaalsContact CG-N 3.27Å; D550-G553 PolarHBondContact O-N 2.92Å; D550-G553 PolarHBondContact OD1-N 2.92Å; D550-G553 VanDerWaalsContact OD2-CA 3.28Å; D550-G553 WeakPolarHBondContact OD2-CA 3.45Å; D550-G553 PolarHBondContact OD2-N 3.34Å; D550-L554 VanDerWaalsContact O-CB 3.31Å; D550-L554 WeakPolarHBondContact O-CB 3.38Å; D550-L554 PolarHBondContact O-N 2.79Å
551V92.6Very high93.3Very high37 Ų3755 Ų5522%0.22427%0.27CS..Hα-helixtrans-62.9-39.9-179179.90000111.8K549 L554 D555 V611 L614K549-V551 PolarHBondContact O-N 3.03Å; V551-L554 PolarHBondContact O-N 3.23Å; V551-D555 PolarHBondContact O-N 3.44Å; V551-V611 HydrophobicContact CG1-CG1 3.87Å; V551-V611 HydrophobicContact CG1-CG2 4.41Å; V551-L614 HydrophobicContact CG2-CB 3.71Å; V551-L614 HydrophobicContact CG2-CD1 4.18Å
552D91.6Very high93.3Very high129 Ų12954 Ų5469%0.6926%0.264SS*.Hα-helixtrans-69.1-41.4180-68.3-24.6000110.7D550 L554 R556D550-D552 VanDerWaalsContact C-N 3.34Å; D550-D552 PolarHBondContact O-N 2.96Å; D550-D552 PolarHBondContact OD1-N 3.04Å; D552-L554 VanDerWaalsContact C-N 3.34Å; D552-R556 VanDerWaalsContact O-CB 3.24Å; D552-R556 WeakPolarHBondContact O-CB 3.48Å; D552-R556 PolarHBondContact O-N 3.27Å; D552-R556 VanDerWaalsContact O-N 3.08Å
553G93.1Very high93.2Very high2 Ų255.2 Ų55.22%0.02128%0.276CS..Hα-helixtrans-61.7-41.1172.700000112.5D550 T557D550-G553 VanDerWaalsContact CG-N 3.27Å; D550-G553 PolarHBondContact O-N 2.92Å; D550-G553 PolarHBondContact OD1-N 2.92Å; D550-G553 VanDerWaalsContact OD2-CA 3.28Å; D550-G553 WeakPolarHBondContact OD2-CA 3.45Å; D550-G553 PolarHBondContact OD2-N 3.34Å; G553-T557 WeakPolarHBondContact O-CB 3.25Å; G553-T557 VanDerWaalsContact O-CG2 3.26Å; G553-T557 WeakPolarHBondContact O-CG2 3.44Å; G553-T557 PolarHBondContact O-N 3.46Å; G553-T557 PolarHBondContact O-OG1 3.2Å
554L94.1Very high93.1Very high0 Ų054.6 Ų54.60%027%0.272CS..Hα-helixtrans-64.4-50.2179.3-173.364.2000111.6C542 A545 L546 D550 V551 D552 T557 A558 A610 V611 L614 F626C542-L554 WeakPolarHBondContact O-CD1 3.48Å; A545-L554 HydrophobicContact CB-CB 4.26Å; L546-L554 HydrophobicContact CB-CD1 4.2Å; L546-L554 HydrophobicContact CD1-CD2 4.32Å; D550-L554 VanDerWaalsContact O-CB 3.31Å; D550-L554 WeakPolarHBondContact O-CB 3.38Å; D550-L554 PolarHBondContact O-N 2.79Å; V551-L554 PolarHBondContact O-N 3.23Å; D552-L554 VanDerWaalsContact C-N 3.34Å; L554-T557 PolarHBondContact O-N 2.97Å; L554-T557 PolarHBondContact O-OG1 3.21Å; L554-T557 VanDerWaalsContact O-OG1 3.08Å; L554-A558 VanDerWaalsContact O-CB 3.22Å; L554-A558 WeakPolarHBondContact O-CB 3.33Å; L554-A558 PolarHBondContact O-N 3.07Å; L554-A610 HydrophobicContact CD2-CB 3.93Å; L554-V611 HydrophobicContact CD2-CG2 3.8Å; L554-V611 HydrophobicContact CG-CG2 4.23Å; L554-L614 HydrophobicContact CD2-CD1 4.17Å; L554-F626 HydrophobicContact CD1-CE1 4.46Å; L554-F626 HydrophobicContact CD1-CE2 4.31Å; L554-F626 HydrophobicContact CD1-CZ 3.72Å
555D91.8Very high93.2Very high87 Ų8750.9 Ų50.947%0.46525%0.253SS..Hα-helixtrans-65.5-42.4179.8-174.452.3000112.1V551 A558 G559 R562V551-D555 PolarHBondContact O-N 3.44Å; D555-A558 PolarHBondContact O-N 2.87Å; D555-G559 PolarHBondContact O-N 3.24Å; D555-R562 IonicContact OD1-NH2 2.66Å
556R91.5Very high93.1Very high174 Ų17453.6 Ų53.666%0.65728%0.275SS*.Hα-helixtrans-62.2-46.8177.8-177.4178.163.1-138.5-6.6112.4D552 G559 A560D552-R556 VanDerWaalsContact O-CB 3.24Å; D552-R556 WeakPolarHBondContact O-CB 3.48Å; D552-R556 PolarHBondContact O-N 3.27Å; D552-R556 VanDerWaalsContact O-N 3.08Å; R556-G559 PolarHBondContact O-N 3.19Å; R556-A560 PolarHBondContact O-N 3Å; R556-A560 VanDerWaalsContact O-N 3.1Å
557T94.5Very high93.1Very high15 Ų1554.4 Ų54.49%0.09228%0.278CS..Hα-helixtrans-68.6-40.7179.751.20000111.5K541 C542 G553 L554 G559 A560 I561K541-T557 HydrophobicContact CB-CG2 3.84Å; C542-T557 WeakPolarHBondContact CA-OG1 3.32Å; C542-T557 WeakPolarHBondContact CB-OG1 3.16Å; C542-T557 PolarHBondContact SG-OG1 3.22Å; C542-T557 VanDerWaalsContact SG-OG1 3.37Å; G553-T557 WeakPolarHBondContact O-CB 3.25Å; G553-T557 VanDerWaalsContact O-CG2 3.26Å; G553-T557 WeakPolarHBondContact O-CG2 3.44Å; G553-T557 PolarHBondContact O-N 3.46Å; G553-T557 PolarHBondContact O-OG1 3.2Å; L554-T557 PolarHBondContact O-N 2.97Å; L554-T557 PolarHBondContact O-OG1 3.21Å; L554-T557 VanDerWaalsContact O-OG1 3.08Å; T557-G559 VanDerWaalsContact C-N 3.32Å; T557-G559 PolarHBondContact O-N 3.13Å; T557-A560 PolarHBondContact O-N 3.42Å; T557-I561 WeakPolarHBondContact O-CG1 3.2Å; T557-I561 PolarHBondContact O-N 2.84Å
558A95.1Very high93.2Very high0 Ų049.1 Ų49.10%025%0.253CS..Hα-helixtrans-62.6-38.2173.400000112.5L554 D555 I561 R562 F603 V607L554-A558 VanDerWaalsContact O-CB 3.22Å; L554-A558 WeakPolarHBondContact O-CB 3.33Å; L554-A558 PolarHBondContact O-N 3.07Å; D555-A558 PolarHBondContact O-N 2.87Å; A558-I561 PolarHBondContact O-N 3.2Å; A558-R562 WeakPolarHBondContact O-CB 3.34Å; A558-R562 WeakPolarHBondContact O-CG 3.45Å; A558-R562 PolarHBondContact O-N 3.25Å; A558-F603 HydrophobicContact CB-CE1 4.18Å; A558-F603 HydrophobicContact CB-CZ 4.03Å; A558-V607 HydrophobicContact CB-CB 4.25Å; A558-V607 HydrophobicContact CB-CG1 3.57Å; A558-V607 HydrophobicContact CB-CG2 3.72Å
559G92.6Very high93.3Very high15 Ų1543.4 Ų43.416%0.15523%0.228CC..Hα-helixtrans-57.3-48.4171.800000112.4D555 R556 T557 I561 R562 G563D555-G559 PolarHBondContact O-N 3.24Å; R556-G559 PolarHBondContact O-N 3.19Å; T557-G559 VanDerWaalsContact C-N 3.32Å; T557-G559 PolarHBondContact O-N 3.13Å; G559-I561 PolarHBondContact O-N 3.49Å; G559-R562 PolarHBondContact O-N 2.8Å; G559-G563 PolarHBondContact O-N 3.36Å
560A91.8Very high93.2Very high20 Ų2040 Ų4017%0.16521%0.214CC..Hα-helixtrans-60.8-44.1176.100000112.3L411 R556 T557 R562 G563 R564L411-A560 HydrophobicContact CD2-CB 4.17Å; L411-A560 WeakPolarHBondContact CD2-O 3.32Å; R556-A560 PolarHBondContact O-N 3Å; R556-A560 VanDerWaalsContact O-N 3.1Å; T557-A560 PolarHBondContact O-N 3.42Å; A560-R562 PolarHBondContact O-N 2.75Å; A560-G563 PolarHBondContact O-N 3.38Å; A560-R564 WeakPolarHBondContact O-CB 3.47Å; A560-R564 PolarHBondContact O-N 3.13Å
561I95.8Very high93.1Very high0 Ų037.6 Ų37.60%020%0.202CC..Hα-helixtrans-59.7-48.3176.2-66.6164.7000110.6I535 D538 V539 C542 T557 A558 G559 G563 R564 A565 F603 V633I535-I561 HydrophobicContact CD1-CG2 4.34Å; D538-I561 HydrophobicContact CB-CD1 4.25Å; D538-I561 HydrophobicContact CB-CG1 3.61Å; V539-I561 HydrophobicContact CG2-CD1 3.89Å; V539-I561 HydrophobicContact CG2-CG1 4.43Å; C542-I561 HydrophobicContact CB-CD1 3.89Å; T557-I561 WeakPolarHBondContact O-CG1 3.2Å; T557-I561 PolarHBondContact O-N 2.84Å; A558-I561 PolarHBondContact O-N 3.2Å; G559-I561 PolarHBondContact O-N 3.49Å; I561-G563 PolarHBondContact O-N 3.31Å; I561-R564 PolarHBondContact O-N 3.26Å; I561-A565 VanDerWaalsContact O-CB 3.26Å; I561-A565 WeakPolarHBondContact O-CB 3.03Å; I561-A565 PolarHBondContact O-N 3.24Å; I561-F603 HydrophobicContact CB-CE1 4.02Å; I561-F603 HydrophobicContact CB-CZ 4.19Å; I561-F603 HydrophobicContact CD1-CE1 4.34Å; I561-F603 HydrophobicContact CD1-CE2 4.31Å; I561-F603 HydrophobicContact CD1-CZ 3.64Å; I561-F603 HydrophobicContact CG2-CD1 4.28Å; I561-F603 HydrophobicContact CG2-CE1 3.72Å; I561-F603 HydrophobicContact CG2-CZ 4.03Å; I561-V633 HydrophobicContact CG2-CB 4.46Å; I561-V633 HydrophobicContact CG2-CG1 3.7Å; I561-V633 HydrophobicContact CG2-CG2 4.49Å
562R94.9Very high93Very high73 Ų7335.9 Ų35.928%0.27519%0.191SC..Hα-helixtrans-59.6-47.8177.8-72.6-175.9-62.6-109.33.6111.6D555 A558 G559 A560 A566 M600 F603D555-R562 IonicContact OD1-NH2 2.66Å; A558-R562 WeakPolarHBondContact O-CB 3.34Å; A558-R562 WeakPolarHBondContact O-CG 3.45Å; A558-R562 PolarHBondContact O-N 3.25Å; G559-R562 PolarHBondContact O-N 2.8Å; A560-R562 PolarHBondContact O-N 2.75Å; R562-A566 WeakPolarHBondContact O-CB 3.49Å; R562-A566 PolarHBondContact O-N 3.06Å; R562-M600 HydrophobicContact CB-CE 4.19Å; R562-M600 HydrophobicContact CG-CE 3.71Å; R562-F603 HydrophobicContact CG-CE1 4.43Å
563G92Very high93Very high24 Ų2431.7 Ų31.725%0.24717%0.171CC..Hα-helixtrans-60.3-47178.600000112.3G559 A560 I561 A566 R567G559-G563 PolarHBondContact O-N 3.36Å; A560-G563 PolarHBondContact O-N 3.38Å; I561-G563 PolarHBondContact O-N 3.31Å; G563-A566 PolarHBondContact O-N 3.38Å; G563-R567 VanDerWaalsContact O-CB 3.3Å; G563-R567 WeakPolarHBondContact O-CB 3.49Å; G563-R567 PolarHBondContact O-N 3.08Å
564R93.4Very high92.8Very high9 Ų934.5 Ų34.53%0.03419%0.19CC..Hα-helixtrans-70-39.6-178.5-157.8179-49-97.614112.4S407 D408 L411 H534 I535 D538 A560 I561 R567 V568S407-R564 VanDerWaalsContact CB-NH1 3.35Å; S407-R564 PolarHBondContact O-NH1 3.27Å; S407-R564 PolarHBondContact OG-NH1 3Å; D408-R564 IonicContact OD1-CZ 3.79Å; D408-R564 IonicContact OD1-NH1 3.09Å; D408-R564 PolarHBondContact OD1-NH1 3.25Å; D408-R564 IonicContact OD1-NH2 3.77Å; D408-R564 PolarHBondContact OD1-NH2 3.41Å; D408-R564 VanDerWaalsContact OD1-NH2 3.12Å; L411-R564 HydrophobicContact CD1-CB 3.89Å; L411-R564 HydrophobicContact CD1-CG 4.02Å; L411-R564 HydrophobicContact CD2-CB 4.39Å; H534-R564 VanDerWaalsContact CB-CZ 3.42Å; H534-R564 PolarHBondContact ND1-NH1 3.09Å; I535-R564 HydrophobicContact CD1-CB 3.87Å; I535-R564 HydrophobicContact CD1-CG 4.19Å; I535-R564 HydrophobicContact CG1-CG 4.39Å; D538-R564 IonicContact OD2-CZ 2.69Å; D538-R564 IonicContact OD2-NE 2.91Å; D538-R564 PolarHBondContact OD2-NE 3.19Å; D538-R564 IonicContact OD2-NH2 3.41Å; D538-R564 PolarHBondContact OD2-NH2 3.27Å; A560-R564 WeakPolarHBondContact O-CB 3.47Å; A560-R564 PolarHBondContact O-N 3.13Å; I561-R564 PolarHBondContact O-N 3.26Å; R564-R567 PolarHBondContact O-N 2.93Å; R564-V568 WeakPolarHBondContact O-CG2 3.47Å; R564-V568 PolarHBondContact O-N 3.46Å
565A95.6Very high92.3Very high1 Ų136.8 Ų36.81%0.00820%0.2CC..Hα-helixtrans-62.4-45.9173.700000111.9I561 R567 V568 V569 L595 M600 I637I561-A565 VanDerWaalsContact O-CB 3.26Å; I561-A565 WeakPolarHBondContact O-CB 3.03Å; I561-A565 PolarHBondContact O-N 3.24Å; A565-R567 VanDerWaalsContact C-N 3.32Å; A565-R567 PolarHBondContact O-N 3.09Å; A565-V568 PolarHBondContact O-N 2.91Å; A565-V569 WeakPolarHBondContact O-CG2 3.43Å; A565-V569 PolarHBondContact O-N 3.48Å; A565-V569 VanDerWaalsContact O-N 3.08Å; A565-L595 HydrophobicContact CB-CD2 4.49Å; A565-M600 HydrophobicContact CB-CE 4.03Å; A565-M600 HydrophobicContact CB-CG 4.19Å; A565-M600 HydrophobicContact CB-SD 3.52Å; A565-M600 VanDerWaalsContact CB-SD 3.52Å; A565-I637 HydrophobicContact CB-CD1 4.08Å
566A93.5Very high92.1Very high63 Ų6332.9 Ų32.952%0.52118%0.18SC..Hα-helixtrans-61.9-40.5175.700000111.8R562 G563 V569 H570R562-A566 WeakPolarHBondContact O-CB 3.49Å; R562-A566 PolarHBondContact O-N 3.06Å; G563-A566 PolarHBondContact O-N 3.38Å; A566-V569 PolarHBondContact O-N 3.47Å; A566-H570 PolarHBondContact O-N 3.44Å
567R91.3Very high91.7Very high24 Ų2431.2 Ų31.29%0.09118%0.183CC..Hα-helixtrans-63.1-43.8176.2-17960.5174.9128.1-3.9112.2D519 F527 G563 R564 A565 H570 V571D519-R567 IonicContact OD1-CZ 3.77Å; D519-R567 IonicContact OD1-NH1 2.64Å; D519-R567 IonicContact OD1-NH2 3.47Å; D519-R567 PolarHBondContact OD1-NH2 2.77Å; D519-R567 IonicContact OD2-CZ 3.14Å; D519-R567 IonicContact OD2-NH1 3.08Å; D519-R567 PolarHBondContact OD2-NH1 3.42Å; D519-R567 IonicContact OD2-NH2 4Å; D519-R567 PolarHBondContact OD2-NH2 2.57Å; F527-R567 HydrophobicContact CE2-CG 4.4Å; F527-R567 HydrophobicContact CZ-CG 4.01Å; G563-R567 VanDerWaalsContact O-CB 3.3Å; G563-R567 WeakPolarHBondContact O-CB 3.49Å; G563-R567 PolarHBondContact O-N 3.08Å; R564-R567 PolarHBondContact O-N 2.93Å; A565-R567 VanDerWaalsContact C-N 3.32Å; A565-R567 PolarHBondContact O-N 3.09Å; R567-H570 PolarHBondContact O-N 2.99Å; R567-V571 WeakPolarHBondContact O-CG2 3.2Å; R567-V571 PolarHBondContact O-N 3.41Å
568V94.1Very high90.9Very high0 Ų036 Ų360%021%0.209CC..Hα-helixtrans-58.2-48.3175.2165.70000110.9F527 L528 R564 A565 H570 V571 V572 I640F527-V568 HydrophobicContact CE1-CG2 4.02Å; F527-V568 HydrophobicContact CZ-CG2 4.14Å; L528-V568 HydrophobicContact CD2-CG1 3.82Å; R564-V568 WeakPolarHBondContact O-CG2 3.47Å; R564-V568 PolarHBondContact O-N 3.46Å; A565-V568 PolarHBondContact O-N 2.91Å; V568-H570 VanDerWaalsContact C-N 3.31Å; V568-H570 PolarHBondContact O-N 3.44Å; V568-V571 PolarHBondContact O-N 3.09Å; V568-V572 HydrophobicContact CG1-CG2 4.3Å; V568-V572 WeakPolarHBondContact O-CB 3.36Å; V568-V572 WeakPolarHBondContact O-CG2 3.37Å; V568-V572 PolarHBondContact O-N 3.35Å; V568-I640 HydrophobicContact CG1-CD1 4.44Å; V568-I640 HydrophobicContact CG1-CG2 4.41Å
569V95Very high89.9Confident22 Ų2239.3 Ų39.313%0.13322%0.222CC..Hα-helixtrans-60-43.4177.5171.90000110.8A565 A566 V572 T573 L595 T596A565-V569 WeakPolarHBondContact O-CG2 3.43Å; A565-V569 PolarHBondContact O-N 3.48Å; A565-V569 VanDerWaalsContact O-N 3.08Å; A566-V569 PolarHBondContact O-N 3.47Å; V569-V572 PolarHBondContact O-N 3.23Å; V569-T573 HydrophobicContact CG1-CG2 4.11Å; V569-T573 WeakPolarHBondContact O-CB 3.34Å; V569-T573 VanDerWaalsContact O-CG2 3.23Å; V569-T573 WeakPolarHBondContact O-CG2 3.48Å; V569-T573 PolarHBondContact O-N 2.87Å; V569-T573 PolarHBondContact O-OG1 3.01Å; V569-L595 HydrophobicContact CG2-CD2 3.96Å; V569-T596 WeakPolarHBondContact CG2-OG1 3.48Å
570H90.8Very high88.5Confident81 Ų8147.1 Ų47.138%0.37525%0.254SS..Hα-helixtrans-62-49.1178.7179.944.1000113.1D516 A566 R567 V568 V572 T573 S574D516-H570 IonicContact OD1-NE2 3.05Å; A566-H570 PolarHBondContact O-N 3.44Å; R567-H570 PolarHBondContact O-N 2.99Å; V568-H570 VanDerWaalsContact C-N 3.31Å; V568-H570 PolarHBondContact O-N 3.44Å; H570-V572 PolarHBondContact O-N 3.08Å; H570-T573 PolarHBondContact O-OG1 3.49Å; H570-T573 VanDerWaalsContact O-OG1 3.07Å; H570-S574 WeakPolarHBondContact O-CB 3.43Å; H570-S574 PolarHBondContact O-N 3.45Å
571V89.8Confident87.6Confident14 Ų1451.7 Ų51.79%0.08528%0.282CS..Hα-helixtrans-59.7-48.8177.5175.40000110.5I524 F527 R567 V568 S574 E575I524-V571 HydrophobicContact CD1-CG1 4.32Å; I524-V571 HydrophobicContact CG1-CG1 4.3Å; F527-V571 HydrophobicContact CD1-CB 4.18Å; F527-V571 HydrophobicContact CD1-CG1 3.89Å; F527-V571 HydrophobicContact CD1-CG2 4.18Å; F527-V571 HydrophobicContact CE1-CB 3.75Å; F527-V571 HydrophobicContact CE1-CG1 4.01Å; F527-V571 HydrophobicContact CE1-CG2 3.61Å; F527-V571 HydrophobicContact CE2-CG2 4.31Å; F527-V571 HydrophobicContact CZ-CB 4.34Å; F527-V571 HydrophobicContact CZ-CG2 3.7Å; R567-V571 WeakPolarHBondContact O-CG2 3.2Å; R567-V571 PolarHBondContact O-N 3.41Å; V568-V571 PolarHBondContact O-N 3.09Å; V571-S574 PolarHBondContact O-N 3.45Å; V571-E575 WeakPolarHBondContact O-CB 3.32Å; V571-E575 PolarHBondContact O-N 3.03Å
572V91.9Very high86.3Confident0 Ų052.9 Ų52.90%030%0.295CS..Hα-helixtrans-66.3-44.5-174.9173.90000110.9I524 L528 V568 V569 H570 E575 M576 V588 T592 I640 V644I524-V572 HydrophobicContact CD1-CG2 4.15Å; L528-V572 HydrophobicContact CD1-CG2 4.31Å; L528-V572 HydrophobicContact CD2-CG2 3.76Å; V568-V572 HydrophobicContact CG1-CG2 4.3Å; V568-V572 WeakPolarHBondContact O-CB 3.36Å; V568-V572 WeakPolarHBondContact O-CG2 3.37Å; V568-V572 PolarHBondContact O-N 3.35Å; V569-V572 PolarHBondContact O-N 3.23Å; H570-V572 PolarHBondContact O-N 3.08Å; V572-E575 PolarHBondContact O-N 3.08Å; V572-M576 HydrophobicContact CG1-CG 4.48Å; V572-M576 VanDerWaalsContact O-CG 3.27Å; V572-M576 WeakPolarHBondContact O-CG 3.41Å; V572-M576 PolarHBondContact O-N 2.86Å; V572-V588 HydrophobicContact CG1-CG1 3.3Å; V572-T592 HydrophobicContact CB-CG2 4.12Å; V572-T592 HydrophobicContact CG1-CG2 3.66Å; V572-I640 HydrophobicContact CB-CG2 4.39Å; V572-I640 HydrophobicContact CG1-CG2 4.05Å; V572-I640 HydrophobicContact CG2-CG2 3.79Å; V572-V644 HydrophobicContact CG1-CG2 3.89Å; V572-V644 HydrophobicContact CG2-CG2 4.38Å
573T91.7Very high85.1Confident42 Ų4255.2 Ų55.226%0.25832%0.317SS..Hα-helixtrans-64-43.7178.350.60000111.8V569 H570 E575 M576 D577 L589V569-T573 HydrophobicContact CG1-CG2 4.11Å; V569-T573 WeakPolarHBondContact O-CB 3.34Å; V569-T573 VanDerWaalsContact O-CG2 3.23Å; V569-T573 WeakPolarHBondContact O-CG2 3.48Å; V569-T573 PolarHBondContact O-N 2.87Å; V569-T573 PolarHBondContact O-OG1 3.01Å; H570-T573 PolarHBondContact O-OG1 3.49Å; H570-T573 VanDerWaalsContact O-OG1 3.07Å; T573-E575 VanDerWaalsContact C-N 3.34Å; T573-E575 PolarHBondContact O-N 3.47Å; T573-M576 PolarHBondContact O-N 3.2Å; T573-D577 PolarHBondContact O-N 3.4Å; T573-L589 HydrophobicContact CG2-CD2 3.85Å
574S87.9Confident84.2Confident61 Ų6155.6 Ų55.643%0.42731%0.311SS..Hα-helixtrans-63.5-38.4175.5-169.50000112.3H570 V571 M576 D577H570-S574 WeakPolarHBondContact O-CB 3.43Å; H570-S574 PolarHBondContact O-N 3.45Å; V571-S574 PolarHBondContact O-N 3.45Å; S574-M576 VanDerWaalsContact C-N 3.34Å; S574-D577 WeakPolarHBondContact O-CB 3.48Å; S574-D577 PolarHBondContact O-N 2.85Å
575E82.8Confident83.4Confident47 Ų4755.6 Ų55.622%0.2231%0.312CS..Hα-helixtrans-67.4-36.8175.7176.262.4-177.200111.1I524 V571 V572 T573 D577 N578 Y579I524-E575 HydrophobicContact CD1-CB 3.71Å; I524-E575 HydrophobicContact CD1-CG 3.58Å; I524-E575 HydrophobicContact CG2-CG 4.49Å; V571-E575 WeakPolarHBondContact O-CB 3.32Å; V571-E575 PolarHBondContact O-N 3.03Å; V572-E575 PolarHBondContact O-N 3.08Å; T573-E575 VanDerWaalsContact C-N 3.34Å; T573-E575 PolarHBondContact O-N 3.47Å; E575-D577 PolarHBondContact O-N 2.91Å; E575-N578 VanDerWaalsContact O-CB 3.31Å; E575-N578 WeakPolarHBondContact O-CB 3.46Å; E575-N578 PolarHBondContact O-N 3.22Å; E575-N578 VanDerWaalsContact O-N 3.09Å; E575-N578 PolarHBondContact OE2-ND2 3.36Å; E575-Y579 HydrophobicContact CG-CE2 3.96Å; E575-Y579 WeakPolarHBondContact O-CD2 3.43Å; E575-Y579 WeakPolarHBondContact O-CE2 3.29Å; E575-Y579 PolarHBondContact OE1-OH 3.18Å
576M87.4Confident82.8Confident6 Ų661.7 Ų61.73%0.0334%0.34CS..Hα-helixtrans-64.1-24.8177.5-70.2-52.395.300113.2V572 T573 S574 N578 Y579 Y584 T585 V588 L589V572-M576 HydrophobicContact CG1-CG 4.48Å; V572-M576 VanDerWaalsContact O-CG 3.27Å; V572-M576 WeakPolarHBondContact O-CG 3.41Å; V572-M576 PolarHBondContact O-N 2.86Å; T573-M576 PolarHBondContact O-N 3.2Å; S574-M576 VanDerWaalsContact C-N 3.34Å; M576-N578 PolarHBondContact O-N 3.06Å; M576-Y579 HydrophobicContact CE-CD2 4.1Å; M576-Y579 HydrophobicContact CE-CE2 3.92Å; M576-Y579 PolarHBondContact O-N 3.15Å; M576-Y579 VanDerWaalsContact O-N 3.09Å; M576-Y579 HydrophobicContact SD-CD2 4.48Å; M576-Y584 HydrophobicContact CE-CE1 3.93Å; M576-Y584 HydrophobicContact SD-CD1 4.32Å; M576-Y584 HydrophobicContact SD-CE1 3.64Å; M576-T585 HydrophobicContact SD-CG2 4.32Å; M576-V588 HydrophobicContact CE-CG1 4.32Å; M576-V588 HydrophobicContact CG-CB 4.17Å; M576-V588 HydrophobicContact CG-CG1 3.71Å; M576-V588 HydrophobicContact SD-CB 3.78Å; M576-V588 HydrophobicContact SD-CG1 3.68Å; M576-V588 HydrophobicContact SD-CG2 3.98Å; M576-L589 HydrophobicContact CB-CD2 4.28Å; M576-L589 HydrophobicContact CG-CD2 4.29Å; M576-L589 HydrophobicContact CG-CG 4.44Å
577D83.6Confident82Confident138 Ų13863.2 Ų63.274%0.73834%0.335SS*.THydrogen-bonded Turntrans-65.1-18.5174.7-71-22.3000112.8T573 S574 E575 Y579T573-D577 PolarHBondContact O-N 3.4Å; S574-D577 WeakPolarHBondContact O-CB 3.48Å; S574-D577 PolarHBondContact O-N 2.85Å; E575-D577 PolarHBondContact O-N 2.91Å; D577-Y579 VanDerWaalsContact C-N 3.26Å; D577-Y579 PolarHBondContact O-N 3.42Å
578N77.6Confident81.6Confident117 Ų11762.1 Ų62.163%0.62633%0.331SS*.THydrogen-bonded Turntrans-77.8-8.9175-64.4-41.4000113.2E575 M576E575-N578 VanDerWaalsContact O-CB 3.31Å; E575-N578 WeakPolarHBondContact O-CB 3.46Å; E575-N578 PolarHBondContact O-N 3.22Å; E575-N578 VanDerWaalsContact O-N 3.09Å; E575-N578 PolarHBondContact OE2-ND2 3.36Å; M576-N578 PolarHBondContact O-N 3.06Å
579Y73.6Confident81.6Confident68 Ų6865.4 Ų65.427%0.26735%0.348SS..SBendtrans-110.1151.3-176.2-59.5-97.9000111.5E575 M576 D577 Y584 I647E575-Y579 HydrophobicContact CG-CE2 3.96Å; E575-Y579 WeakPolarHBondContact O-CD2 3.43Å; E575-Y579 WeakPolarHBondContact O-CE2 3.29Å; E575-Y579 PolarHBondContact OE1-OH 3.18Å; M576-Y579 HydrophobicContact CE-CD2 4.1Å; M576-Y579 HydrophobicContact CE-CE2 3.92Å; M576-Y579 PolarHBondContact O-N 3.15Å; M576-Y579 VanDerWaalsContact O-N 3.09Å; M576-Y579 HydrophobicContact SD-CD2 4.48Å; D577-Y579 VanDerWaalsContact C-N 3.26Å; D577-Y579 PolarHBondContact O-N 3.42Å; Y579-Y584 HydrophobicContact CD1-CD1 4.48Å; Y579-Y584 HydrophobicContact CD1-CE1 4.15Å; Y579-Y584 HydrophobicContact CE1-CE1 4.29Å; Y579-Y584 HydrophobicContact CG-CE1 4.3Å; Y579-I647 HydrophobicContact CD1-CD1 4.18Å; Y579-I647 HydrophobicContact CE1-CD1 3.93Å
580E64.6Low81.5Confident179 Ų17971.3 Ų71.384%0.83637%0.374SS*.  trans-70.3135.2173.2-168.9173.9-171.100110G582E580-G582 PolarHBondContact O-N 3.5Å
581P73.4Confident81.6Confident116 Ų11668.3 Ų68.375%0.75336%0.364SS*.SBendtrans-55.7126.1179.9-27.835.2000112.9T585P581-T585 WeakPolarHBondContact CA-OG1 3.33Å
582G68.2Low81.9Confident26 Ų2668 Ų6827%0.26836%0.362SS..SBendtrans-173.1-167177.800000113.1E580 Y584 T585 E586E580-G582 PolarHBondContact O-N 3.5Å; G582-Y584 PolarHBondContact O-N 2.85Å; G582-Y584 VanDerWaalsContact O-N 3.15Å; G582-T585 PolarHBondContact N-OG1 3.39Å; G582-T585 PolarHBondContact O-N 3.5Å; G582-T585 PolarHBondContact O-OG1 2.78Å; G582-E586 WeakPolarHBondContact O-CB 3.47Å; G582-E586 VanDerWaalsContact O-CG 3.32Å; G582-E586 WeakPolarHBondContact O-CG 3.42Å; G582-E586 PolarHBondContact O-N 2.71Å
583V68.4Low82.2Confident121 Ų12174.2 Ų74.273%0.73339%0.389SS*.Hα-helixtrans-57-35.7-173.4-179.10000112.9K587V583-K587 VanDerWaalsContact O-CB 3.3Å; V583-K587 WeakPolarHBondContact O-CB 3.35Å; V583-K587 PolarHBondContact O-N 2.76Å; V583-K587 VanDerWaalsContact O-N 3.11Å
584Y74.2Confident82.4Confident33 Ų3376.9 Ų76.913%0.12940%0.401CS..Hα-helixtrans-65-57.5176170.3-109.2000111.6M576 Y579 G582 E586 K587 V588 A643 V644 I647M576-Y584 HydrophobicContact CE-CE1 3.93Å; M576-Y584 HydrophobicContact SD-CD1 4.32Å; M576-Y584 HydrophobicContact SD-CE1 3.64Å; Y579-Y584 HydrophobicContact CD1-CD1 4.48Å; Y579-Y584 HydrophobicContact CD1-CE1 4.15Å; Y579-Y584 HydrophobicContact CE1-CE1 4.29Å; Y579-Y584 HydrophobicContact CG-CE1 4.3Å; G582-Y584 PolarHBondContact O-N 2.85Å; G582-Y584 VanDerWaalsContact O-N 3.15Å; Y584-E586 VanDerWaalsContact C-N 3.3Å; Y584-E586 PolarHBondContact O-N 3.38Å; Y584-K587 PolarHBondContact O-N 2.6Å; Y584-V588 HydrophobicContact CD2-CG2 4.2Å; Y584-V588 HydrophobicContact CE2-CG2 3.78Å; Y584-V588 WeakPolarHBondContact O-CG2 3.39Å; Y584-V588 PolarHBondContact O-N 2.87Å; Y584-A643 WeakPolarHBondContact CE2-O 3.5Å; Y584-V644 PolarHBondContact OH-O 3.14Å; Y584-V644 VanDerWaalsContact OH-O 3.04Å; Y584-I647 HydrophobicContact CD1-CD1 3.9Å; Y584-I647 HydrophobicContact CD2-CB 4.01Å; Y584-I647 HydrophobicContact CD2-CD1 4.48Å; Y584-I647 HydrophobicContact CE1-CB 4.44Å; Y584-I647 HydrophobicContact CE1-CD1 3.81Å; Y584-I647 HydrophobicContact CE1-CG2 4.38Å; Y584-I647 HydrophobicContact CE2-CB 3.6Å; Y584-I647 HydrophobicContact CE2-CD1 4.41Å; Y584-I647 HydrophobicContact CE2-CG2 3.8Å; Y584-I647 HydrophobicContact CG-CD1 4.23Å; Y584-I647 WeakPolarHBondContact OH-CG2 3.22Å
585T77.1Confident82.8Confident9 Ų974 Ų746%0.05538%0.381CS..Hα-helixtrans-62.4-39.2-178.759.10000111.1M576 P581 G582 V588 L589M576-T585 HydrophobicContact SD-CG2 4.32Å; P581-T585 WeakPolarHBondContact CA-OG1 3.33Å; G582-T585 PolarHBondContact N-OG1 3.39Å; G582-T585 PolarHBondContact O-N 3.5Å; G582-T585 PolarHBondContact O-OG1 2.78Å; T585-V588 PolarHBondContact O-N 2.88Å; T585-L589 VanDerWaalsContact O-CB 3.26Å; T585-L589 WeakPolarHBondContact O-CB 3.44Å; T585-L589 WeakPolarHBondContact O-CG 3.31Å; T585-L589 PolarHBondContact O-N 2.96Å
586E80.9Confident83.5Confident129 Ų12974.7 Ų74.760%0.60339%0.388SS*.Hα-helixtrans-60.2-46.6175.9-75.1175.5179.500111.7G582 Y584 L589 E590G582-E586 WeakPolarHBondContact O-CB 3.47Å; G582-E586 VanDerWaalsContact O-CG 3.32Å; G582-E586 WeakPolarHBondContact O-CG 3.42Å; G582-E586 PolarHBondContact O-N 2.71Å; Y584-E586 VanDerWaalsContact C-N 3.3Å; Y584-E586 PolarHBondContact O-N 3.38Å; E586-L589 PolarHBondContact O-N 3.35Å; E586-E590 VanDerWaalsContact O-CB 3.31Å; E586-E590 WeakPolarHBondContact O-CB 3.41Å; E586-E590 PolarHBondContact O-N 3.08Å
587K78.1Confident83.9Confident95 Ų9579 Ų7941%0.41341%0.411SS..Hα-helixtrans-66.3-40.7-179.5-174.3173.9-179.8178.70112.5V583 Y584 A591 M646V583-K587 VanDerWaalsContact O-CB 3.3Å; V583-K587 WeakPolarHBondContact O-CB 3.35Å; V583-K587 PolarHBondContact O-N 2.76Å; V583-K587 VanDerWaalsContact O-N 3.11Å; Y584-K587 PolarHBondContact O-N 2.6Å; K587-A591 PolarHBondContact O-N 3.11Å; K587-M646 HydrophobicContact CD-CE 4.26Å; K587-M646 HydrophobicContact CD-SD 3.59Å; K587-M646 VanDerWaalsContact CD-SD 3.59Å; K587-M646 WeakPolarHBondContact CE-SD 3.47Å; K587-M646 PolarHBondContact NZ-SD 3.48Å
588V83.4Confident84.5Confident0 Ų075 Ų750%039%0.394CS..Hα-helixtrans-64.5-47.8175.7175.20000110.1V572 M576 Y584 T585 E590 A591 T592 A643 V644V572-V588 HydrophobicContact CG1-CG1 3.3Å; M576-V588 HydrophobicContact CE-CG1 4.32Å; M576-V588 HydrophobicContact CG-CB 4.17Å; M576-V588 HydrophobicContact CG-CG1 3.71Å; M576-V588 HydrophobicContact SD-CB 3.78Å; M576-V588 HydrophobicContact SD-CG1 3.68Å; M576-V588 HydrophobicContact SD-CG2 3.98Å; Y584-V588 HydrophobicContact CD2-CG2 4.2Å; Y584-V588 HydrophobicContact CE2-CG2 3.78Å; Y584-V588 WeakPolarHBondContact O-CG2 3.39Å; Y584-V588 PolarHBondContact O-N 2.87Å; T585-V588 PolarHBondContact O-N 2.88Å; V588-E590 VanDerWaalsContact C-N 3.34Å; V588-E590 PolarHBondContact O-N 3.09Å; V588-A591 PolarHBondContact O-N 2.94Å; V588-T592 WeakPolarHBondContact O-CG2 3.45Å; V588-T592 PolarHBondContact O-N 3.19Å; V588-A643 HydrophobicContact CG2-CB 4Å; V588-V644 HydrophobicContact CG1-CG2 3.76Å; V588-V644 HydrophobicContact CG2-CG2 4.22Å
589L92.9Very high85.5Confident70 Ų7070.1 Ų70.137%0.36637%0.369SS..Hα-helixtrans-65.2-36.4-180-68.8174.4000112.2T573 M576 T585 E586 T592 K593T573-L589 HydrophobicContact CG2-CD2 3.85Å; M576-L589 HydrophobicContact CB-CD2 4.28Å; M576-L589 HydrophobicContact CG-CD2 4.29Å; M576-L589 HydrophobicContact CG-CG 4.44Å; T585-L589 VanDerWaalsContact O-CB 3.26Å; T585-L589 WeakPolarHBondContact O-CB 3.44Å; T585-L589 WeakPolarHBondContact O-CG 3.31Å; T585-L589 PolarHBondContact O-N 2.96Å; E586-L589 PolarHBondContact O-N 3.35Å; L589-T592 WeakPolarHBondContact CA-OG1 3.35Å; L589-T592 PolarHBondContact O-N 2.75Å; L589-T592 PolarHBondContact O-OG1 3.01Å; L589-K593 VanDerWaalsContact O-CB 3.31Å; L589-K593 WeakPolarHBondContact O-CB 3.37Å; L589-K593 PolarHBondContact O-N 2.97Å
590E92.6Very high86.6Confident145 Ų14568 Ų6868%0.67836%0.362SS*.Hα-helixtrans-61.2-44.1173.4-173.4176.3-162.500111.8E586 V588 K593 L594E586-E590 VanDerWaalsContact O-CB 3.31Å; E586-E590 WeakPolarHBondContact O-CB 3.41Å; E586-E590 PolarHBondContact O-N 3.08Å; V588-E590 VanDerWaalsContact C-N 3.34Å; V588-E590 PolarHBondContact O-N 3.09Å; E590-K593 PolarHBondContact O-N 3.36Å; E590-L594 PolarHBondContact O-N 3.19Å
591A93.2Very high88.2Confident19 Ų1962.5 Ų62.516%0.15734%0.342CS..Hα-helixtrans-62.8-43.5175.400000112K587 V588 K593 L594 L595 I640K587-A591 PolarHBondContact O-N 3.11Å; V588-A591 PolarHBondContact O-N 2.94Å; A591-K593 VanDerWaalsContact C-N 3.3Å; A591-K593 PolarHBondContact O-N 3.49Å; A591-L594 PolarHBondContact O-N 2.87Å; A591-L595 PolarHBondContact O-N 2.84Å; A591-L595 VanDerWaalsContact O-N 3.12Å; A591-I640 HydrophobicContact CB-CG1 3.84Å
592T97.2Very high89.3Confident7 Ų764.4 Ų64.44%0.04333%0.334CS..Hα-helixtrans-63.6-36.3175.9630000112.6V572 V588 L589 L595 T596 I640V572-T592 HydrophobicContact CB-CG2 4.12Å; V572-T592 HydrophobicContact CG1-CG2 3.66Å; V588-T592 WeakPolarHBondContact O-CG2 3.45Å; V588-T592 PolarHBondContact O-N 3.19Å; L589-T592 WeakPolarHBondContact CA-OG1 3.35Å; L589-T592 PolarHBondContact O-N 2.75Å; L589-T592 PolarHBondContact O-OG1 3.01Å; T592-L595 PolarHBondContact O-N 3.47Å; T592-T596 WeakPolarHBondContact O-CB 3.36Å; T592-T596 PolarHBondContact O-N 3.41Å; T592-T596 PolarHBondContact O-OG1 3.45Å; T592-I640 HydrophobicContact CG2-CD1 4.03Å; T592-I640 HydrophobicContact CG2-CG1 4.13Å; T592-I640 HydrophobicContact CG2-CG2 4.16Å
593K96.3Very high90.7Very high131 Ų13163.2 Ų63.257%0.5732%0.321SS*.Hα-helixtrans-70.2-40.9178-169.6176.6-178.1179.10111.6L589 E590 A591 L595 T596 D597L589-K593 VanDerWaalsContact O-CB 3.31Å; L589-K593 WeakPolarHBondContact O-CB 3.37Å; L589-K593 PolarHBondContact O-N 2.97Å; E590-K593 PolarHBondContact O-N 3.36Å; A591-K593 VanDerWaalsContact C-N 3.3Å; A591-K593 PolarHBondContact O-N 3.49Å; K593-L595 VanDerWaalsContact C-N 3.32Å; K593-L595 PolarHBondContact O-N 2.94Å; K593-T596 PolarHBondContact O-N 3.48Å; K593-D597 WeakPolarHBondContact CE-OD2 3.43Å; K593-D597 WeakPolarHBondContact CG-OD2 3.46Å; K593-D597 VanDerWaalsContact O-CB 3.31Å; K593-D597 WeakPolarHBondContact O-CB 3.21Å; K593-D597 PolarHBondContact O-N 3.27Å
594L96Very high92Very high98 Ų9859 Ų5951%0.51330%0.295SS..Hα-helixtrans-60.1-43.3174.7-179.965.8000111.5E590 A591 S598 V599E590-L594 PolarHBondContact O-N 3.19Å; A591-L594 PolarHBondContact O-N 2.87Å; L594-S598 WeakPolarHBondContact O-CB 3.28Å; L594-S598 PolarHBondContact O-N 2.99Å; L594-V599 PolarHBondContact O-N 3.31Å; L594-V599 VanDerWaalsContact O-N 3.14Å
595L97.4Very high93Very high1 Ų163.4 Ų63.41%0.00532%0.317CS..Iπ-helixtrans-60-48.8175.3-179.762.9000111A565 V569 A591 T592 K593 V599 M600 I637 I640A565-L595 HydrophobicContact CB-CD2 4.49Å; V569-L595 HydrophobicContact CG2-CD2 3.96Å; A591-L595 PolarHBondContact O-N 2.84Å; A591-L595 VanDerWaalsContact O-N 3.12Å; T592-L595 PolarHBondContact O-N 3.47Å; K593-L595 VanDerWaalsContact C-N 3.32Å; K593-L595 PolarHBondContact O-N 2.94Å; L595-V599 HydrophobicContact CD1-CB 4.02Å; L595-V599 HydrophobicContact CD1-CG1 3.85Å; L595-V599 PolarHBondContact O-N 3.01Å; L595-M600 HydrophobicContact CD1-CG 4.05Å; L595-M600 HydrophobicContact CD1-SD 4.2Å; L595-M600 HydrophobicContact CG-CG 4.16Å; L595-M600 WeakPolarHBondContact O-CB 3.39Å; L595-M600 WeakPolarHBondContact O-CG 3.39Å; L595-M600 PolarHBondContact O-N 3.43Å; L595-I637 HydrophobicContact CD1-CG1 4.4Å; L595-I637 HydrophobicContact CD2-CD1 4.31Å; L595-I637 HydrophobicContact CD2-CG1 3.59Å; L595-I640 HydrophobicContact CB-CD1 3.99Å; L595-I640 HydrophobicContact CD2-CD1 3.43Å; L595-I640 VanDerWaalsContact CD2-CD1 3.43Å; L595-I640 HydrophobicContact CG-CD1 4.35Å
596T96.9Very high93.9Very high61 Ų6164 Ų6437%0.37432%0.32SS..Iπ-helixtrans-73-45.7-173.5-52.90000113.3V569 T592 K593 P601V569-T596 WeakPolarHBondContact CG2-OG1 3.48Å; T592-T596 WeakPolarHBondContact O-CB 3.36Å; T592-T596 PolarHBondContact O-N 3.41Å; T592-T596 PolarHBondContact O-OG1 3.45Å; K593-T596 PolarHBondContact O-N 3.48Å; T596-P601 VanDerWaalsContact O-CD 3.26Å; T596-P601 WeakPolarHBondContact O-CD 3.43Å
597D96.9Very high94.6Very high95 Ų9558 Ų5851%0.50829%0.292SS..Iπ-helixtrans-91.2-17-169.4-66.5-5.9000112.8K593K593-D597 WeakPolarHBondContact CE-OD2 3.43Å; K593-D597 WeakPolarHBondContact CG-OD2 3.46Å; K593-D597 VanDerWaalsContact O-CB 3.31Å; K593-D597 WeakPolarHBondContact O-CB 3.21Å; K593-D597 PolarHBondContact O-N 3.27Å
598S95.9Very high95.3Very high54 Ų5458.8 Ų58.838%0.37830%0.297SS..Iπ-helixtrans-128.4-50.3-174.2-60.50000114.1L594 R602L594-S598 WeakPolarHBondContact O-CB 3.28Å; L594-S598 PolarHBondContact O-N 2.99Å; S598-R602 WeakPolarHBondContact O-CG 3.47Å
599V97.6Very high95.6Very high16 Ų1661.7 Ų61.710%0.09732%0.317CS..Iπ-helixtrans-74.6-52-174.21730000111.6L594 L595 R602 F603 L632 V633L594-V599 PolarHBondContact O-N 3.31Å; L594-V599 VanDerWaalsContact O-N 3.14Å; L595-V599 HydrophobicContact CD1-CB 4.02Å; L595-V599 HydrophobicContact CD1-CG1 3.85Å; L595-V599 PolarHBondContact O-N 3.01Å; V599-R602 PolarHBondContact O-N 2.98Å; V599-F603 PolarHBondContact O-N 3.11Å; V599-L632 VanDerWaalsContact CG1-C 3.49Å; V599-L632 HydrophobicContact CG1-CB 3.95Å; V599-L632 WeakPolarHBondContact CG1-O 3.19Å; V599-V633 HydrophobicContact CG1-CB 4.41Å; V599-V633 HydrophobicContact CG1-CG2 3.96Å
600M97.9Very high95.6Very high23 Ų2358.3 Ų58.311%0.11330%0.299CS..Hα-helixtrans-63.9-39.3-177.4-71-53.8-53.300114.2R562 A565 L595 F603 T604 V633R562-M600 HydrophobicContact CB-CE 4.19Å; R562-M600 HydrophobicContact CG-CE 3.71Å; A565-M600 HydrophobicContact CB-CE 4.03Å; A565-M600 HydrophobicContact CB-CG 4.19Å; A565-M600 HydrophobicContact CB-SD 3.52Å; A565-M600 VanDerWaalsContact CB-SD 3.52Å; L595-M600 HydrophobicContact CD1-CG 4.05Å; L595-M600 HydrophobicContact CD1-SD 4.2Å; L595-M600 HydrophobicContact CG-CG 4.16Å; L595-M600 WeakPolarHBondContact O-CB 3.39Å; L595-M600 WeakPolarHBondContact O-CG 3.39Å; L595-M600 PolarHBondContact O-N 3.43Å; M600-F603 HydrophobicContact CE-CD1 3.98Å; M600-F603 PolarHBondContact O-N 3.14Å; M600-T604 WeakPolarHBondContact O-CB 3.32Å; M600-T604 PolarHBondContact O-N 3.4Å; M600-T604 PolarHBondContact O-OG1 2.9Å; M600-V633 HydrophobicContact SD-CG1 3.83Å; M600-V633 HydrophobicContact SD-CG2 3.99Å
601P97.6Very high95.5Very high64 Ų6453 Ų5342%0.41628%0.277SS..Hα-helixtrans-61.4-43173.9-26.936.8000112.8T596 T604 E605T596-P601 VanDerWaalsContact O-CD 3.26Å; T596-P601 WeakPolarHBondContact O-CD 3.43Å; P601-T604 PolarHBondContact O-N 3.46Å; P601-E605 PolarHBondContact O-N 3.02Å
602R96.4Very high95.4Very high156 Ų15658.7 Ų58.759%0.58930%0.3SS*.Hα-helixtrans-63.3-45.4176.8-74.1179176-163.9-1.7112.3S598 V599 T604 E605 Q606S598-R602 WeakPolarHBondContact O-CG 3.47Å; V599-R602 PolarHBondContact O-N 2.98Å; R602-T604 VanDerWaalsContact C-N 3.3Å; R602-T604 PolarHBondContact O-N 3.37Å; R602-E605 PolarHBondContact O-N 3.33Å; R602-Q606 WeakPolarHBondContact O-CG 3.41Å; R602-Q606 PolarHBondContact O-N 2.85Å
603F97.6Very high95Very high0 Ų058.9 Ų58.90%030%0.302CS..Hα-helixtrans-59.3-43.2174.7171.6-106000111.6A558 I561 R562 V599 M600 Q606 V607 V633A558-F603 HydrophobicContact CB-CE1 4.18Å; A558-F603 HydrophobicContact CB-CZ 4.03Å; I561-F603 HydrophobicContact CB-CE1 4.02Å; I561-F603 HydrophobicContact CB-CZ 4.19Å; I561-F603 HydrophobicContact CD1-CE1 4.34Å; I561-F603 HydrophobicContact CD1-CE2 4.31Å; I561-F603 HydrophobicContact CD1-CZ 3.64Å; I561-F603 HydrophobicContact CG2-CD1 4.28Å; I561-F603 HydrophobicContact CG2-CE1 3.72Å; I561-F603 HydrophobicContact CG2-CZ 4.03Å; R562-F603 HydrophobicContact CG-CE1 4.43Å; V599-F603 PolarHBondContact O-N 3.11Å; M600-F603 HydrophobicContact CE-CD1 3.98Å; M600-F603 PolarHBondContact O-N 3.14Å; F603-Q606 PolarHBondContact O-N 3.39Å; F603-V607 HydrophobicContact CD1-CG2 4.43Å; F603-V607 HydrophobicContact CD2-CG2 4.24Å; F603-V607 HydrophobicContact CE1-CG2 3.95Å; F603-V607 HydrophobicContact CE2-CG2 3.74Å; F603-V607 HydrophobicContact CZ-CG2 3.57Å; F603-V607 WeakPolarHBondContact O-CG2 2.92Å; F603-V607 PolarHBondContact O-N 3.44Å; F603-V633 HydrophobicContact CB-CG2 3.72Å; F603-V633 HydrophobicContact CD1-CG2 4.22Å; F603-V633 HydrophobicContact CD2-CG2 4.05Å; F603-V633 HydrophobicContact CG-CG2 3.72Å
604T96.4Very high94.6Very high32 Ų3254.5 Ų54.520%0.19629%0.285CS..Hα-helixtrans-63.7-45.1179.5-55.50000111.6M600 P601 R602 Q606 V607 E608M600-T604 WeakPolarHBondContact O-CB 3.32Å; M600-T604 PolarHBondContact O-N 3.4Å; M600-T604 PolarHBondContact O-OG1 2.9Å; P601-T604 PolarHBondContact O-N 3.46Å; R602-T604 VanDerWaalsContact C-N 3.3Å; R602-T604 PolarHBondContact O-N 3.37Å; T604-Q606 VanDerWaalsContact C-N 3.33Å; T604-Q606 PolarHBondContact O-N 2.95Å; T604-V607 PolarHBondContact O-N 3.42Å; T604-E608 WeakPolarHBondContact O-CG 3.34Å; T604-E608 PolarHBondContact O-N 2.91Å
605E95.2Very high94.2Very high126 Ų12653.8 Ų53.859%0.58929%0.288SS*.Hα-helixtrans-58.9-43.1175.6-178.2177.7-166.700111.9P601 R602 E608 S609P601-E605 PolarHBondContact O-N 3.02Å; R602-E605 PolarHBondContact O-N 3.33Å; E605-E608 PolarHBondContact O-N 3.37Å; E605-S609 WeakPolarHBondContact O-CB 3.45Å; E605-S609 PolarHBondContact O-N 3.33Å
606Q94.6Very high93.6Very high23 Ų2356.9 Ų56.911%0.10731%0.314CS..Hα-helixtrans-66.4-38.1177.8-70.7-63.6-29.800112.6R602 F603 T604 A610 E625 F626 A629R602-Q606 WeakPolarHBondContact O-CG 3.41Å; R602-Q606 PolarHBondContact O-N 2.85Å; F603-Q606 PolarHBondContact O-N 3.39Å; T604-Q606 VanDerWaalsContact C-N 3.33Å; T604-Q606 PolarHBondContact O-N 2.95Å; Q606-A610 VanDerWaalsContact O-CB 3.25Å; Q606-A610 WeakPolarHBondContact O-CB 3.18Å; Q606-A610 PolarHBondContact O-N 3.23Å; Q606-E625 PolarHBondContact NE2-OE1 3.06Å; Q606-E625 PolarHBondContact NE2-OE2 3.41Å; Q606-F626 HydrophobicContact CB-CD2 3.96Å; Q606-A629 HydrophobicContact CB-CB 4.26Å; Q606-A629 HydrophobicContact CG-CB 3.85Å
607V95.3Very high92.4Very high2 Ų257.3 Ų57.31%0.01233%0.331CS..Hα-helixtrans-64-48.3173171.60000111.3A558 F603 T604 S609 A610 V611 F626A558-V607 HydrophobicContact CB-CB 4.25Å; A558-V607 HydrophobicContact CB-CG1 3.57Å; A558-V607 HydrophobicContact CB-CG2 3.72Å; F603-V607 HydrophobicContact CD1-CG2 4.43Å; F603-V607 HydrophobicContact CD2-CG2 4.24Å; F603-V607 HydrophobicContact CE1-CG2 3.95Å; F603-V607 HydrophobicContact CE2-CG2 3.74Å; F603-V607 HydrophobicContact CZ-CG2 3.57Å; F603-V607 WeakPolarHBondContact O-CG2 2.92Å; F603-V607 PolarHBondContact O-N 3.44Å; T604-V607 PolarHBondContact O-N 3.42Å; V607-S609 PolarHBondContact O-N 2.89Å; V607-A610 PolarHBondContact O-N 3.1Å; V607-V611 HydrophobicContact CG1-CG2 4.29Å; V607-V611 WeakPolarHBondContact O-CB 3.3Å; V607-V611 VanDerWaalsContact O-CG2 3.31Å; V607-V611 WeakPolarHBondContact O-CG2 3.31Å; V607-V611 PolarHBondContact O-N 2.82Å; V607-F626 HydrophobicContact CB-CE2 4.42Å; V607-F626 HydrophobicContact CG2-CE2 3.73Å; V607-F626 HydrophobicContact CG2-CZ 4.07Å
608E92.9Very high90.8Very high112 Ų11257.6 Ų57.652%0.52334%0.34SS..Hα-helixtrans-59.3-47.9178.5-72.7173.7179.300110.8T604 E605 A610 V611 E612T604-E608 WeakPolarHBondContact O-CG 3.34Å; T604-E608 PolarHBondContact O-N 2.91Å; E605-E608 PolarHBondContact O-N 3.37Å; E608-A610 VanDerWaalsContact C-N 3.34Å; E608-A610 PolarHBondContact O-N 2.78Å; E608-V611 PolarHBondContact O-N 2.82Å; E608-E612 WeakPolarHBondContact O-CB 3.36Å; E608-E612 WeakPolarHBondContact O-CG 3.48Å; E608-E612 PolarHBondContact O-N 3.38Å
609S91.3Very high89.3Confident60 Ų6061.9 Ų61.942%0.4235%0.354SS..Hα-helixtrans-60.7-40.5176.8-174.40000112.6E605 V607 A613E605-S609 WeakPolarHBondContact O-CB 3.45Å; E605-S609 PolarHBondContact O-N 3.33Å; V607-S609 PolarHBondContact O-N 2.89Å; S609-A613 VanDerWaalsContact O-CB 3.25Å; S609-A613 WeakPolarHBondContact O-CB 3.3Å; S609-A613 PolarHBondContact O-N 2.85Å
610A91.8Very high88.1Confident0 Ų067.3 Ų67.30%039%0.389CS..Hα-helixtrans-68.5-44178.600000112L546 L554 Q606 V607 E608 A613 L614 V621 F626L546-A610 HydrophobicContact CD1-CB 3.94Å; L554-A610 HydrophobicContact CD2-CB 3.93Å; Q606-A610 VanDerWaalsContact O-CB 3.25Å; Q606-A610 WeakPolarHBondContact O-CB 3.18Å; Q606-A610 PolarHBondContact O-N 3.23Å; V607-A610 PolarHBondContact O-N 3.1Å; E608-A610 VanDerWaalsContact C-N 3.34Å; E608-A610 PolarHBondContact O-N 2.78Å; A610-A613 PolarHBondContact O-N 3.22Å; A610-L614 WeakPolarHBondContact O-CB 3.42Å; A610-L614 VanDerWaalsContact O-CG 3.24Å; A610-L614 WeakPolarHBondContact O-CG 3.5Å; A610-L614 PolarHBondContact O-N 2.91Å; A610-V621 HydrophobicContact CB-CG1 3.95Å; A610-V621 HydrophobicContact CB-CG2 4.32Å; A610-F626 HydrophobicContact CB-CD2 4.15Å; A610-F626 HydrophobicContact CB-CE2 4.25Å
611V91.4Very high87.3Confident33 Ų3367.7 Ų67.720%0.239%0.393CS..Hα-helixtrans-61.2-45.1175.9167.10000110.9V551 L554 V607 E608 S615V551-V611 HydrophobicContact CG1-CG1 3.87Å; V551-V611 HydrophobicContact CG1-CG2 4.41Å; L554-V611 HydrophobicContact CD2-CG2 3.8Å; L554-V611 HydrophobicContact CG-CG2 4.23Å; V607-V611 HydrophobicContact CG1-CG2 4.29Å; V607-V611 WeakPolarHBondContact O-CB 3.3Å; V607-V611 VanDerWaalsContact O-CG2 3.31Å; V607-V611 WeakPolarHBondContact O-CG2 3.31Å; V607-V611 PolarHBondContact O-N 2.82Å; E608-V611 PolarHBondContact O-N 2.82Å; V611-S615 WeakPolarHBondContact O-CB 3.45Å; V611-S615 PolarHBondContact O-N 3.11Å; V611-S615 PolarHBondContact O-OG 3.19Å
612E89.6Confident86.8Confident139 Ų13968.7 Ų68.765%0.6540%0.395SS*.Hα-helixtrans-62.9-46.9177.3-75.1-174.8177.400111.9E608 L614 S615 A616E608-E612 WeakPolarHBondContact O-CB 3.36Å; E608-E612 WeakPolarHBondContact O-CG 3.48Å; E608-E612 PolarHBondContact O-N 3.38Å; E612-L614 PolarHBondContact O-N 3.17Å; E612-S615 PolarHBondContact O-N 2.8Å; E612-A616 VanDerWaalsContact O-CB 3.23Å; E612-A616 WeakPolarHBondContact O-CB 3.26Å; E612-A616 PolarHBondContact O-N 2.99Å
613A89.1Confident86.4Confident11 Ų1165.8 Ų65.89%0.09139%0.388CS..Hα-helixtrans-63.6-41.9-179.800000112.5S609 A610 G617 Q619 V621S609-A613 VanDerWaalsContact O-CB 3.25Å; S609-A613 WeakPolarHBondContact O-CB 3.3Å; S609-A613 PolarHBondContact O-N 2.85Å; A610-A613 PolarHBondContact O-N 3.22Å; A613-G617 PolarHBondContact O-N 3.42Å; A613-Q619 HydrophobicContact CB-CB 4.2Å; A613-V621 HydrophobicContact CB-CG2 3.72Å
614L88.8Confident86Confident38 Ų3871.9 Ų71.920%0.19942%0.421CS..Hα-helixtrans-67.9-40.4176-71.4176.2000111.9L546 K549 V551 L554 A610 E612 G617L546-L614 HydrophobicContact CD1-CD1 4.07Å; K549-L614 HydrophobicContact CB-CD2 3.96Å; K549-L614 HydrophobicContact CD-CD2 4.23Å; K549-L614 HydrophobicContact CG-CD2 3.84Å; V551-L614 HydrophobicContact CG2-CB 3.71Å; V551-L614 HydrophobicContact CG2-CD1 4.18Å; L554-L614 HydrophobicContact CD2-CD1 4.17Å; A610-L614 WeakPolarHBondContact O-CB 3.42Å; A610-L614 VanDerWaalsContact O-CG 3.24Å; A610-L614 WeakPolarHBondContact O-CG 3.5Å; A610-L614 PolarHBondContact O-N 2.91Å; E612-L614 PolarHBondContact O-N 3.17Å; L614-G617 PolarHBondContact O-N 3.18Å
615S87.1Confident85.8Confident83 Ų8375.3 Ų75.358%0.5843%0.434SS*.Hα-helixtrans-69.9-36.1178.9-60.10000112.5V611 E612V611-S615 WeakPolarHBondContact O-CB 3.45Å; V611-S615 PolarHBondContact O-N 3.11Å; V611-S615 PolarHBondContact O-OG 3.19Å; E612-S615 PolarHBondContact O-N 2.8Å
616A84.7Confident85.7Confident67 Ų6769.3 Ų69.355%0.55441%0.406SS*.Hα-helixtrans-82.9-12.517800000113.4E612 S618E612-A616 VanDerWaalsContact O-CB 3.23Å; E612-A616 WeakPolarHBondContact O-CB 3.26Å; E612-A616 PolarHBondContact O-N 2.99Å; A616-S618 WeakPolarHBondContact O-CB 3.4Å; A616-S618 PolarHBondContact O-N 3.12Å; A616-S618 VanDerWaalsContact O-N 3.09Å; A616-S618 PolarHBondContact O-OG 3.21Å
617G72.4Confident85.6Confident70 Ų7071.3 Ų71.372%0.72242%0.417SS*.THydrogen-bonded Turntrans60.617.9177.200000115.4A613 L614A613-G617 PolarHBondContact O-N 3.42Å; L614-G617 PolarHBondContact O-N 3.18Å
618S62.8Low85.5Confident100 Ų10075.5 Ų75.570%0.69944%0.44SS*.  trans-129.7-8-160.1-600000115.9A616A616-S618 WeakPolarHBondContact O-CB 3.4Å; A616-S618 PolarHBondContact O-N 3.12Å; A616-S618 VanDerWaalsContact O-N 3.09Å; A616-S618 PolarHBondContact O-OG 3.21Å
619Q64.8Low85.5Confident144 Ų14470.6 Ų70.667%0.67342%0.418SS*.SBendtrans-129.4137.5177.1-70.9-165.9-24.200112A613 V621A613-Q619 HydrophobicContact CB-CB 4.2Å; Q619-V621 PolarHBondContact O-N 2.82Å
620P73.4Confident85.7Confident130 Ų13067.7 Ų67.784%0.84440%0.398SS*.  trans-67.9124.5168.628.4-30.6000108.8
621V80.3Confident85.7Confident31 Ų3175 Ų7519%0.18843%0.425CS..  trans-69.7135.3170.4-177.90000108.1L546 A610 A613 Q619 E623L546-V621 HydrophobicContact CD1-CB 4.49Å; L546-V621 HydrophobicContact CD1-CG1 4.11Å; L546-V621 HydrophobicContact CD1-CG2 4.41Å; L546-V621 HydrophobicContact CD2-CG1 4.37Å; A610-V621 HydrophobicContact CB-CG1 3.95Å; A610-V621 HydrophobicContact CB-CG2 4.32Å; A613-V621 HydrophobicContact CB-CG2 3.72Å; Q619-V621 PolarHBondContact O-N 2.82Å; V621-E623 VanDerWaalsContact C-N 3.29Å; V621-E623 PolarHBondContact O-N 3.15Å
622D86.8Confident85.9Confident85 Ų8576 Ų7646%0.45543%0.429SS..  trans-74.988.2167.4-167.4-22.5000109.1N624 E625 F626D622-N624 PolarHBondContact O-N 3.03Å; D622-N624 WeakPolarHBondContact OD1-CB 3.5Å; D622-N624 PolarHBondContact OD1-N 3.42Å; D622-N624 VanDerWaalsContact OD1-N 3.08Å; D622-E625 HydrophobicContact CB-CB 4.13Å; D622-E625 PolarHBondContact O-N 3.45Å; D622-E625 PolarHBondContact OD1-N 2.92Å; D622-F626 PolarHBondContact O-N 3.24Å; D622-F626 VanDerWaalsContact O-N 3.1Å
623E88.4Confident86.3Confident95 Ų9569.4 Ų69.444%0.44440%0.398SS..Hα-helixtrans-58.7-29.3179.8-66.9-179.3-164.600112.3L546 V621 I627L546-E623 HydrophobicContact CD2-CG 4.27Å; V621-E623 VanDerWaalsContact C-N 3.29Å; V621-E623 PolarHBondContact O-N 3.15Å; E623-I627 WeakPolarHBondContact O-CB 3.21Å; E623-I627 WeakPolarHBondContact O-CD1 3.5Å; E623-I627 WeakPolarHBondContact O-CG1 3.41Å; E623-I627 PolarHBondContact O-N 3.36Å
624N89.8Confident86.5Confident129 Ų12970.7 Ų70.769%0.6940%0.401SS*.Hα-helixtrans-71.8-43-179.6-65.2-55.1000111.3D622 F626 I627 D628D622-N624 PolarHBondContact O-N 3.03Å; D622-N624 WeakPolarHBondContact OD1-CB 3.5Å; D622-N624 PolarHBondContact OD1-N 3.42Å; D622-N624 VanDerWaalsContact OD1-N 3.08Å; N624-F626 VanDerWaalsContact C-N 3.34Å; N624-I627 PolarHBondContact O-N 2.91Å; N624-D628 WeakPolarHBondContact O-CB 3.47Å; N624-D628 PolarHBondContact O-N 3.44Å
625E91Very high86.5Confident103 Ų10370.2 Ų70.248%0.48140%0.399SS..Hα-helixtrans-66.5-38.5177.1-164.6175.5-169.600111.2Q606 D622 D628 A629Q606-E625 PolarHBondContact NE2-OE1 3.06Å; Q606-E625 PolarHBondContact NE2-OE2 3.41Å; D622-E625 HydrophobicContact CB-CB 4.13Å; D622-E625 PolarHBondContact O-N 3.45Å; D622-E625 PolarHBondContact OD1-N 2.92Å; E625-D628 PolarHBondContact O-N 2.99Å; E625-A629 WeakPolarHBondContact O-CB 3.26Å; E625-A629 PolarHBondContact O-N 3.19Å
626F93.1Very high86.7Confident0 Ų066.8 Ų66.80%038%0.377CS..Hα-helixtrans-62.9-46.3173.9-174.1-84.9000112.5V543 L546 L554 Q606 V607 A610 D622 N624 D628 A629 S630V543-F626 HydrophobicContact CG2-CD1 4.45Å; V543-F626 HydrophobicContact CG2-CE1 4.24Å; L546-F626 HydrophobicContact CB-CE1 4.47Å; L546-F626 HydrophobicContact CD2-CB 3.92Å; L546-F626 HydrophobicContact CD2-CD1 3.4Å; L546-F626 VanDerWaalsContact CD2-CD1 3.4Å; L546-F626 HydrophobicContact CD2-CD2 4.18Å; L546-F626 HydrophobicContact CD2-CE1 3.95Å; L546-F626 HydrophobicContact CD2-CG 3.55Å; L554-F626 HydrophobicContact CD1-CE1 4.46Å; L554-F626 HydrophobicContact CD1-CE2 4.31Å; L554-F626 HydrophobicContact CD1-CZ 3.72Å; Q606-F626 HydrophobicContact CB-CD2 3.96Å; V607-F626 HydrophobicContact CB-CE2 4.42Å; V607-F626 HydrophobicContact CG2-CE2 3.73Å; V607-F626 HydrophobicContact CG2-CZ 4.07Å; A610-F626 HydrophobicContact CB-CD2 4.15Å; A610-F626 HydrophobicContact CB-CE2 4.25Å; D622-F626 PolarHBondContact O-N 3.24Å; D622-F626 VanDerWaalsContact O-N 3.1Å; N624-F626 VanDerWaalsContact C-N 3.34Å; F626-D628 VanDerWaalsContact C-N 3.35Å; F626-A629 PolarHBondContact O-N 3.43Å; F626-S630 WeakPolarHBondContact CE1-OG 3.26Å; F626-S630 WeakPolarHBondContact O-CB 3.43Å; F626-S630 PolarHBondContact O-N 2.84Å; F626-S630 PolarHBondContact O-OG 2.98Å
627I92.4Very high87.1Confident65 Ų6563.6 Ų63.633%0.33335%0.35SS..Hα-helixtrans-63.9-41.4178.3-70.5164.9000110.5V543 E623 N624 S630 R631V543-I627 HydrophobicContact CG1-CD1 4.25Å; V543-I627 HydrophobicContact CG1-CG1 3.94Å; V543-I627 HydrophobicContact CG2-CG1 4.14Å; E623-I627 WeakPolarHBondContact O-CB 3.21Å; E623-I627 WeakPolarHBondContact O-CD1 3.5Å; E623-I627 WeakPolarHBondContact O-CG1 3.41Å; E623-I627 PolarHBondContact O-N 3.36Å; N624-I627 PolarHBondContact O-N 2.91Å; I627-S630 PolarHBondContact O-N 2.9Å; I627-R631 WeakPolarHBondContact O-CB 3.06Å; I627-R631 PolarHBondContact O-N 3.15Å
628D93Very high87.8Confident91 Ų9163.7 Ų63.749%0.48733%0.329SS..Hα-helixtrans-63-48.3176.2-169.960.3000111.3N624 E625 F626 S630 R631 L632N624-D628 WeakPolarHBondContact O-CB 3.47Å; N624-D628 PolarHBondContact O-N 3.44Å; E625-D628 PolarHBondContact O-N 2.99Å; F626-D628 VanDerWaalsContact C-N 3.35Å; D628-S630 VanDerWaalsContact C-N 3.3Å; D628-S630 PolarHBondContact O-N 3.47Å; D628-R631 PolarHBondContact O-N 2.86Å; D628-L632 WeakPolarHBondContact O-CG 3.37Å; D628-L632 PolarHBondContact O-N 3.43Å
629A94.3Very high88.8Confident8 Ų862.4 Ų62.47%0.06631%0.314CS..Hα-helixtrans-59.8-4017700000112.4Q606 E625 F626 L632 V633Q606-A629 HydrophobicContact CB-CB 4.26Å; Q606-A629 HydrophobicContact CG-CB 3.85Å; E625-A629 WeakPolarHBondContact O-CB 3.26Å; E625-A629 PolarHBondContact O-N 3.19Å; F626-A629 PolarHBondContact O-N 3.43Å; A629-L632 PolarHBondContact O-N 2.71Å; A629-V633 PolarHBondContact O-N 2.56Å
630S94.1Very high90Very high0 Ų055.6 Ų55.60%028%0.282CS..Hα-helixtrans-68.7-40.7177.5-55.30000112.1F626 I627 D628 L632 V633F626-S630 WeakPolarHBondContact CE1-OG 3.26Å; F626-S630 WeakPolarHBondContact O-CB 3.43Å; F626-S630 PolarHBondContact O-N 2.84Å; F626-S630 PolarHBondContact O-OG 2.98Å; I627-S630 PolarHBondContact O-N 2.9Å; D628-S630 VanDerWaalsContact C-N 3.3Å; D628-S630 PolarHBondContact O-N 3.47Å; S630-L632 VanDerWaalsContact C-N 3.32Å; S630-L632 PolarHBondContact O-N 3.14Å; S630-V633 WeakPolarHBondContact O-CB 3.34Å; S630-V633 PolarHBondContact O-N 2.99Å
631R93.6Very high90.6Very high153 Ų15350.6 Ų50.658%0.57725%0.247SC*.Hα-helixtrans-61.8-39.4174.3177.9-177172.6164.84.5111.9I627 D628 V633 Y634 D635I627-R631 WeakPolarHBondContact O-CB 3.06Å; I627-R631 PolarHBondContact O-N 3.15Å; D628-R631 PolarHBondContact O-N 2.86Å; R631-V633 PolarHBondContact O-N 3.25Å; R631-Y634 PolarHBondContact O-N 2.66Å; R631-Y634 VanDerWaalsContact O-N 3.16Å; R631-D635 IonicContact NE-OD2 3.93Å; R631-D635 PolarHBondContact NE-OD2 3.23Å; R631-D635 PolarHBondContact O-N 3.33Å
632L95.3Very high90.4Very high54 Ų5454.1 Ų54.128%0.28326%0.26SS..Hα-helixtrans-61-29.8178.1-72.9173.7000112.6V599 D628 A629 S630 G636V599-L632 VanDerWaalsContact CG1-C 3.49Å; V599-L632 HydrophobicContact CG1-CB 3.95Å; V599-L632 WeakPolarHBondContact CG1-O 3.19Å; D628-L632 WeakPolarHBondContact O-CG 3.37Å; D628-L632 PolarHBondContact O-N 3.43Å; A629-L632 PolarHBondContact O-N 2.71Å; S630-L632 VanDerWaalsContact C-N 3.32Å; S630-L632 PolarHBondContact O-N 3.14Å; L632-G636 PolarHBondContact O-N 2.8Å
633V96.9Very high89.9Confident0 Ų050.4 Ų50.40%024%0.241CC..Hα-helixtrans-64.3-48.5174.1-177.50000111I535 I561 V599 M600 F603 A629 S630 R631 G636 I637I535-V633 HydrophobicContact CG2-CG1 4.16Å; I561-V633 HydrophobicContact CG2-CB 4.46Å; I561-V633 HydrophobicContact CG2-CG1 3.7Å; I561-V633 HydrophobicContact CG2-CG2 4.49Å; V599-V633 HydrophobicContact CG1-CB 4.41Å; V599-V633 HydrophobicContact CG1-CG2 3.96Å; M600-V633 HydrophobicContact SD-CG1 3.83Å; M600-V633 HydrophobicContact SD-CG2 3.99Å; F603-V633 HydrophobicContact CB-CG2 3.72Å; F603-V633 HydrophobicContact CD1-CG2 4.22Å; F603-V633 HydrophobicContact CD2-CG2 4.05Å; F603-V633 HydrophobicContact CG-CG2 3.72Å; A629-V633 PolarHBondContact O-N 2.56Å; S630-V633 WeakPolarHBondContact O-CB 3.34Å; S630-V633 PolarHBondContact O-N 2.99Å; R631-V633 PolarHBondContact O-N 3.25Å; V633-G636 PolarHBondContact O-N 3.28Å; V633-I637 HydrophobicContact CG1-CD1 4.27Å; V633-I637 PolarHBondContact O-N 2.7Å; V633-I637 VanDerWaalsContact O-N 3.08Å
634Y93.8Very high89.3Confident39 Ų3945.9 Ų45.915%0.15322%0.22CC..Hα-helixtrans-60.7-47.9175.3169-99.6000111.5E532 L536 R631 G636 I637 R638E532-Y634 HydrophobicContact CG-CD2 4.23Å; E532-Y634 HydrophobicContact CG-CE2 3.52Å; E532-Y634 PolarHBondContact OE1-OH 3.19Å; L536-Y634 HydrophobicContact CB-CD2 3.75Å; L536-Y634 HydrophobicContact CB-CE2 3.87Å; L536-Y634 HydrophobicContact CD1-CD2 4.07Å; L536-Y634 HydrophobicContact CD1-CE2 4.23Å; L536-Y634 HydrophobicContact CD1-CG 4.3Å; L536-Y634 HydrophobicContact CD2-CE2 4.24Å; L536-Y634 HydrophobicContact CG-CD2 4.4Å; L536-Y634 HydrophobicContact CG-CE2 4.34Å; R631-Y634 PolarHBondContact O-N 2.66Å; R631-Y634 VanDerWaalsContact O-N 3.16Å; Y634-G636 VanDerWaalsContact C-N 3.32Å; Y634-G636 PolarHBondContact O-N 3.22Å; Y634-I637 PolarHBondContact O-N 3.12Å; Y634-R638 WeakPolarHBondContact O-CB 3.31Å; Y634-R638 PolarHBondContact O-N 2.98Å
635D87.9Confident88.4Confident28 Ų2840.9 Ų40.915%0.1519%0.193CC..Hα-helixtrans-61.1-41179.3-75.6-24.9000111.4R631 R638 D639R631-D635 IonicContact NE-OD2 3.93Å; R631-D635 PolarHBondContact NE-OD2 3.23Å; R631-D635 PolarHBondContact O-N 3.33Å; D635-R638 PolarHBondContact O-N 3.03Å; D635-R638 IonicContact OD1-CZ 2.59Å; D635-R638 VanDerWaalsContact OD1-CZ 3.25Å; D635-R638 IonicContact OD1-NE 2.97Å; D635-R638 IonicContact OD1-NH1 2.63Å; D635-R638 IonicContact OD1-NH2 3.95Å; D635-R638 PolarHBondContact OD1-NH2 2.88Å; D635-D639 WeakPolarHBondContact O-CB 3.14Å; D635-D639 VanDerWaalsContact O-CG 3.25Å; D635-D639 PolarHBondContact O-N 3.48Å
636G92.4Very high87Confident11 Ų1140.8 Ų40.811%0.11319%0.193CC..Hα-helixtrans-63.7-42.717700000113.4L632 V633 Y634 D639 I640L632-G636 PolarHBondContact O-N 2.8Å; V633-G636 PolarHBondContact O-N 3.28Å; Y634-G636 VanDerWaalsContact C-N 3.32Å; Y634-G636 PolarHBondContact O-N 3.22Å; G636-D639 PolarHBondContact O-N 2.96Å; G636-I640 WeakPolarHBondContact O-CG1 2.86Å; G636-I640 PolarHBondContact O-N 3.08Å
637I92.8Very high84.9Confident0 Ų041.7 Ų41.70%020%0.198CC..Hα-helixtrans-68.7-39.9176.7-71.5174.6000111.1E532 I535 A565 L595 V633 Y634 D639 I640 R641E532-I637 HydrophobicContact CB-CG2 4.42Å; I535-I637 HydrophobicContact CB-CD1 4.25Å; I535-I637 HydrophobicContact CD1-CD1 3.47Å; I535-I637 VanDerWaalsContact CD1-CD1 3.47Å; I535-I637 HydrophobicContact CG1-CD1 3.4Å; I535-I637 VanDerWaalsContact CG1-CD1 3.4Å; I535-I637 HydrophobicContact CG2-CD1 4.12Å; A565-I637 HydrophobicContact CB-CD1 4.08Å; L595-I637 HydrophobicContact CD1-CG1 4.4Å; L595-I637 HydrophobicContact CD2-CD1 4.31Å; L595-I637 HydrophobicContact CD2-CG1 3.59Å; V633-I637 HydrophobicContact CG1-CD1 4.27Å; V633-I637 PolarHBondContact O-N 2.7Å; V633-I637 VanDerWaalsContact O-N 3.08Å; Y634-I637 PolarHBondContact O-N 3.12Å; I637-D639 VanDerWaalsContact C-N 3.3Å; I637-D639 PolarHBondContact O-N 3.18Å; I637-I640 PolarHBondContact O-N 2.9Å; I637-R641 PolarHBondContact O-N 2.97Å
638R87.2Confident82.5Confident71 Ų7141.4 Ų41.427%0.26819%0.193SC..Hα-helixtrans-62.2-37.8173.4-173.1-179.466.5-167-7.5111.9E532 Y634 D635 R641 K642E532-R638 WeakPolarHBondContact OE1-CG 3.45Å; Y634-R638 WeakPolarHBondContact O-CB 3.31Å; Y634-R638 PolarHBondContact O-N 2.98Å; D635-R638 PolarHBondContact O-N 3.03Å; D635-R638 IonicContact OD1-CZ 2.59Å; D635-R638 VanDerWaalsContact OD1-CZ 3.25Å; D635-R638 IonicContact OD1-NE 2.97Å; D635-R638 IonicContact OD1-NH1 2.63Å; D635-R638 IonicContact OD1-NH2 3.95Å; D635-R638 PolarHBondContact OD1-NH2 2.88Å; R638-R641 PolarHBondContact O-N 3.4Å; R638-K642 WeakPolarHBondContact O-CB 3.35Å; R638-K642 WeakPolarHBondContact O-CG 3.33Å; R638-K642 PolarHBondContact O-N 3.09Å
639D84.7Confident79.8Confident74 Ų7437.3 Ų37.340%0.39617%0.171SC..Hα-helixtrans-69.8-37.4177.3-75.3-12.1000112.3D635 G636 I637 K642 A643D635-D639 WeakPolarHBondContact O-CB 3.14Å; D635-D639 VanDerWaalsContact O-CG 3.25Å; D635-D639 PolarHBondContact O-N 3.48Å; G636-D639 PolarHBondContact O-N 2.96Å; I637-D639 VanDerWaalsContact C-N 3.3Å; I637-D639 PolarHBondContact O-N 3.18Å; D639-K642 PolarHBondContact O-N 3.31Å; D639-A643 WeakPolarHBondContact O-CB 3.4Å; D639-A643 PolarHBondContact O-N 3.3Å
640I89.7Confident77Confident0 Ų039.7 Ų39.70%019%0.186CC..Hα-helixtrans-59.8-49.1169.2-68.3165.8000110.2V568 V572 A591 T592 L595 G636 I637 K642 A643 V644V568-I640 HydrophobicContact CG1-CD1 4.44Å; V568-I640 HydrophobicContact CG1-CG2 4.41Å; V572-I640 HydrophobicContact CB-CG2 4.39Å; V572-I640 HydrophobicContact CG1-CG2 4.05Å; V572-I640 HydrophobicContact CG2-CG2 3.79Å; A591-I640 HydrophobicContact CB-CG1 3.84Å; T592-I640 HydrophobicContact CG2-CD1 4.03Å; T592-I640 HydrophobicContact CG2-CG1 4.13Å; T592-I640 HydrophobicContact CG2-CG2 4.16Å; L595-I640 HydrophobicContact CB-CD1 3.99Å; L595-I640 HydrophobicContact CD2-CD1 3.43Å; L595-I640 VanDerWaalsContact CD2-CD1 3.43Å; L595-I640 HydrophobicContact CG-CD1 4.35Å; G636-I640 WeakPolarHBondContact O-CG1 2.86Å; G636-I640 PolarHBondContact O-N 3.08Å; I637-I640 PolarHBondContact O-N 2.9Å; I640-K642 PolarHBondContact O-N 3.3Å; I640-A643 WeakPolarHBondContact O-CB 3.39Å; I640-A643 PolarHBondContact O-N 3.19Å; I640-A643 VanDerWaalsContact O-N 3.15Å; I640-V644 HydrophobicContact CG2-CG2 4.37Å; I640-V644 WeakPolarHBondContact O-CG2 3.39Å; I640-V644 PolarHBondContact O-N 2.61Å
641R85.3Confident74Confident25 Ų2544.3 Ų44.39%0.09421%0.207CC..Hα-helixtrans-57.1-49.3176.9-176.5-175.9176.8-153.8-7.9111.2L528 E532 I637 R638 A643 V644 L645 D657L528-R641 HydrophobicContact CB-CB 4.23Å; L528-R641 HydrophobicContact CB-CG 3.91Å; E532-R641 WeakPolarHBondContact OE2-CD 3.47Å; E532-R641 IonicContact OE2-CZ 3.84Å; E532-R641 IonicContact OE2-NE 3.5Å; E532-R641 IonicContact OE2-NH1 3.2Å; E532-R641 PolarHBondContact OE2-NH1 3.16Å; I637-R641 PolarHBondContact O-N 2.97Å; R638-R641 PolarHBondContact O-N 3.4Å; R641-A643 VanDerWaalsContact C-N 3.3Å; R641-A643 PolarHBondContact O-N 2.95Å; R641-V644 PolarHBondContact O-N 2.92Å; R641-L645 HydrophobicContact CG-CD1 3.92Å; R641-L645 HydrophobicContact CG-CG 4.25Å; R641-L645 WeakPolarHBondContact O-CB 2.99Å; R641-L645 VanDerWaalsContact O-CG 3.25Å; R641-L645 WeakPolarHBondContact O-CG 3.41Å; R641-L645 PolarHBondContact O-N 3.23Å; R641-D657 PolarHBondContact NH2-O 2.97Å
642K77.1Confident71.2Confident106 Ų10641.3 Ų41.346%0.46120%0.2SC..Hα-helixtrans-56.9-43.6176.2-75.9173.5-176.9169.50111.9R638 D639 I640 L645 M646R638-K642 WeakPolarHBondContact O-CB 3.35Å; R638-K642 WeakPolarHBondContact O-CG 3.33Å; R638-K642 PolarHBondContact O-N 3.09Å; D639-K642 PolarHBondContact O-N 3.31Å; I640-K642 PolarHBondContact O-N 3.3Å; K642-L645 PolarHBondContact O-N 3.26Å; K642-M646 WeakPolarHBondContact O-CG 2.88Å; K642-M646 PolarHBondContact O-N 3.18Å
643A76.3Confident68.6Low7 Ų739.5 Ų39.56%0.05819%0.19CC..Hα-helixtrans-63.5-45.1178.300000111.9Y584 V588 D639 I640 R641 M646Y584-A643 WeakPolarHBondContact CE2-O 3.5Å; V588-A643 HydrophobicContact CG2-CB 4Å; D639-A643 WeakPolarHBondContact O-CB 3.4Å; D639-A643 PolarHBondContact O-N 3.3Å; I640-A643 WeakPolarHBondContact O-CB 3.39Å; I640-A643 PolarHBondContact O-N 3.19Å; I640-A643 VanDerWaalsContact O-N 3.15Å; R641-A643 VanDerWaalsContact C-N 3.3Å; R641-A643 PolarHBondContact O-N 2.95Å; A643-M646 VanDerWaalsContact O-CB 3.3Å; A643-M646 WeakPolarHBondContact O-CB 3.16Å; A643-M646 WeakPolarHBondContact O-CG 3.48Å; A643-M646 PolarHBondContact O-N 3.36Å
644V74.5Confident65.9Low0 Ų041.2 Ų41.20%020%0.199CC..Hα-helixtrans-62.4-44.3177171.20000110.8I524 L528 V572 Y584 V588 I640 R641 M646 I647I524-V644 HydrophobicContact CD1-CG1 4.15Å; I524-V644 HydrophobicContact CG1-CG1 4.43Å; I524-V644 HydrophobicContact CG2-CG1 4.47Å; L528-V644 HydrophobicContact CD1-CB 3.8Å; L528-V644 HydrophobicContact CD1-CG1 3.77Å; L528-V644 HydrophobicContact CD1-CG2 3.89Å; V572-V644 HydrophobicContact CG1-CG2 3.89Å; V572-V644 HydrophobicContact CG2-CG2 4.38Å; Y584-V644 PolarHBondContact OH-O 3.14Å; Y584-V644 VanDerWaalsContact OH-O 3.04Å; V588-V644 HydrophobicContact CG1-CG2 3.76Å; V588-V644 HydrophobicContact CG2-CG2 4.22Å; I640-V644 HydrophobicContact CG2-CG2 4.37Å; I640-V644 WeakPolarHBondContact O-CG2 3.39Å; I640-V644 PolarHBondContact O-N 2.61Å; R641-V644 PolarHBondContact O-N 2.92Å; V644-M646 PolarHBondContact O-N 2.85Å; V644-I647 WeakPolarHBondContact O-CG2 3.38Å
645L71.3Confident63.3Low24 Ų2446.6 Ų46.613%0.12623%0.231CC..G310 helixtrans-70.1-8179.4-63.8-177.6000113.7D525 R641 K642 I647 R648 L653D525-L645 HydrophobicContact CB-CD2 4.21Å; D525-L645 WeakPolarHBondContact OD1-CD2 3.37Å; R641-L645 HydrophobicContact CG-CD1 3.92Å; R641-L645 HydrophobicContact CG-CG 4.25Å; R641-L645 WeakPolarHBondContact O-CB 2.99Å; R641-L645 VanDerWaalsContact O-CG 3.25Å; R641-L645 WeakPolarHBondContact O-CG 3.41Å; R641-L645 PolarHBondContact O-N 3.23Å; K642-L645 PolarHBondContact O-N 3.26Å; L645-I647 PolarHBondContact O-N 3.18Å; L645-I647 VanDerWaalsContact O-N 3.16Å; L645-R648 HydrophobicContact CD2-CB 4.31Å; L645-R648 HydrophobicContact CD2-CG 3.79Å; L645-R648 WeakPolarHBondContact O-CB 3.47Å; L645-R648 PolarHBondContact O-N 3.42Å; L645-L653 HydrophobicContact CD1-CD2 4.33Å; L645-L653 HydrophobicContact CD2-CD2 3.91Å
646M61.2Low61.2Low100 Ų10046 Ų4649%0.49323%0.229SC..G310 helixtrans-63.3-20.8177.8-66.3-170.861.400114K587 K642 A643 V644K587-M646 HydrophobicContact CD-CE 4.26Å; K587-M646 HydrophobicContact CD-SD 3.59Å; K587-M646 VanDerWaalsContact CD-SD 3.59Å; K587-M646 WeakPolarHBondContact CE-SD 3.47Å; K587-M646 PolarHBondContact NZ-SD 3.48Å; K642-M646 WeakPolarHBondContact O-CG 2.88Å; K642-M646 PolarHBondContact O-N 3.18Å; A643-M646 VanDerWaalsContact O-CB 3.3Å; A643-M646 WeakPolarHBondContact O-CB 3.16Å; A643-M646 WeakPolarHBondContact O-CG 3.48Å; A643-M646 PolarHBondContact O-N 3.36Å; V644-M646 PolarHBondContact O-N 2.85Å
647I48.7Very low58.8Low20 Ų2046.5 Ų46.510%0.10323%0.229CC..G310 helixtrans-91.7-18.1175.7-159.6167.7000112.8Y579 Y584 V644 L645 E694Y579-I647 HydrophobicContact CD1-CD1 4.18Å; Y579-I647 HydrophobicContact CE1-CD1 3.93Å; Y584-I647 HydrophobicContact CD1-CD1 3.9Å; Y584-I647 HydrophobicContact CD2-CB 4.01Å; Y584-I647 HydrophobicContact CD2-CD1 4.48Å; Y584-I647 HydrophobicContact CE1-CB 4.44Å; Y584-I647 HydrophobicContact CE1-CD1 3.81Å; Y584-I647 HydrophobicContact CE1-CG2 4.38Å; Y584-I647 HydrophobicContact CE2-CB 3.6Å; Y584-I647 HydrophobicContact CE2-CD1 4.41Å; Y584-I647 HydrophobicContact CE2-CG2 3.8Å; Y584-I647 HydrophobicContact CG-CD1 4.23Å; Y584-I647 WeakPolarHBondContact OH-CG2 3.22Å; V644-I647 WeakPolarHBondContact O-CG2 3.38Å; L645-I647 PolarHBondContact O-N 3.18Å; L645-I647 VanDerWaalsContact O-N 3.16Å; I647-E694 WeakPolarHBondContact CD1-OE1 3.2Å; I647-E694 WeakPolarHBondContact CG1-OE1 3.4Å
648R41.8Very low56.4Low59 Ų5952 Ų5222%0.22325%0.253CS..SBendtrans-82.3147-179-59.2-65.2-172.8-171.9-6.2109I524 D525 L645 L653I524-R648 VanDerWaalsContact CG2-NH2 3.31Å; D525-R648 IonicContact OD1-CZ 3.94Å; D525-R648 IonicContact OD1-NE 2.63Å; D525-R648 PolarHBondContact OD1-NE 2.92Å; D525-R648 IonicContact OD1-NH2 2.69Å; D525-R648 IonicContact OD2-CZ 3Å; D525-R648 IonicContact OD2-NE 2.73Å; D525-R648 PolarHBondContact OD2-NE 3.35Å; D525-R648 IonicContact OD2-NH2 3.22Å; L645-R648 HydrophobicContact CD2-CB 4.31Å; L645-R648 HydrophobicContact CD2-CG 3.79Å; L645-R648 WeakPolarHBondContact O-CB 3.47Å; L645-R648 PolarHBondContact O-N 3.42Å; R648-L653 HydrophobicContact CB-CD2 4.22Å; R648-L653 HydrophobicContact CB-CG 4.43Å
649T36.5Very low53.8Low4 Ų455.3 Ų55.33%0.02527%0.272CS..  trans-103.1151.1-175.463.90000111.1E651 E652 L653 L879 D880T649-E651 PolarHBondContact O-N 3.25Å; T649-E652 PolarHBondContact N-OE2 2.95Å; T649-E652 WeakPolarHBondContact O-CA 3.49Å; T649-E652 WeakPolarHBondContact O-CB 3.41Å; T649-E652 PolarHBondContact O-N 3.25Å; T649-E652 VanDerWaalsContact OG1-CG 3.32Å; T649-E652 WeakPolarHBondContact OG1-CG 3.32Å; T649-L653 WeakPolarHBondContact O-CG 3.28Å; T649-L653 PolarHBondContact O-N 3.38Å; T649-L653 VanDerWaalsContact O-N 3.15Å; T649-L879 HydrophobicContact CG2-CD2 4.33Å; T649-D880 WeakPolarHBondContact CB-OD1 3.13Å; T649-D880 WeakPolarHBondContact CB-OD2 2.98Å; T649-D880 WeakPolarHBondContact CG2-OD1 3.35Å; T649-D880 PolarHBondContact OG1-OD1 3.09Å; T649-D880 PolarHBondContact OG1-OD2 3.12Å
650P35.9Very low51.4Low58 Ų5858 Ų5838%0.37729%0.291SS..THydrogen-bonded Turntrans-61.1-13-174.9-29.139000115.7S876 N877P650-S876 WeakPolarHBondContact CD-OG 3.49Å; P650-S876 WeakPolarHBondContact CG-OG 3.5Å; P650-N877 WeakPolarHBondContact CG-OD1 3.49Å
651E31.5Very low48.6Very low98 Ų9866.4 Ų66.446%0.45833%0.33SS..THydrogen-bonded Turntrans-92.2-17.7174.8-60.8167.9-158.600112.3T649 D880T649-E651 PolarHBondContact O-N 3.25Å; E651-D880 HydrophobicContact CB-CB 3.92Å; E651-D880 WeakPolarHBondContact CB-OD2 3.25Å; E651-D880 HydrophobicContact CG-CB 4.05Å; E651-D880 WeakPolarHBondContact OE2-CB 3.36Å
652E34Very low46Very low89 Ų8973 Ų7342%0.41637%0.368SS..THydrogen-bonded Turntrans-81.5-20.4165.7-69.4175.4171.400112T649T649-E652 PolarHBondContact N-OE2 2.95Å; T649-E652 WeakPolarHBondContact O-CA 3.49Å; T649-E652 WeakPolarHBondContact O-CB 3.41Å; T649-E652 PolarHBondContact O-N 3.25Å; T649-E652 VanDerWaalsContact OG1-CG 3.32Å; T649-E652 WeakPolarHBondContact OG1-CG 3.32Å
653L40.3Very low43.8Very low17 Ų1777.1 Ų77.19%0.08939%0.386CS..SBendtrans-89.8125.5174.5-59.3172.6000109.4L645 R648 T649 D657 F658L645-L653 HydrophobicContact CD1-CD2 4.33Å; L645-L653 HydrophobicContact CD2-CD2 3.91Å; R648-L653 HydrophobicContact CB-CD2 4.22Å; R648-L653 HydrophobicContact CB-CG 4.43Å; T649-L653 WeakPolarHBondContact O-CG 3.28Å; T649-L653 PolarHBondContact O-N 3.38Å; T649-L653 VanDerWaalsContact O-N 3.15Å; L653-D657 VanDerWaalsContact CA-OD2 3.31Å; L653-D657 WeakPolarHBondContact CA-OD2 3.36Å; L653-D657 HydrophobicContact CB-CB 4.23Å; L653-D657 HydrophobicContact CD2-CB 4.16Å; L653-F658 HydrophobicContact CB-CE2 4.48Å; L653-F658 HydrophobicContact CD1-CE2 3.56Å; L653-F658 HydrophobicContact CD1-CZ 4.03Å
654D41.9Very low41.6Very low35 Ų3583.6 Ų83.619%0.18742%0.42CS..  trans-70.7157.5171.4-163.212.5000109.3R396 S656 D657R396-D654 WeakPolarHBondContact CD-OD2 3.49Å; R396-D654 IonicContact CZ-OD2 2.65Å; R396-D654 IonicContact NE-OD2 3.22Å; R396-D654 PolarHBondContact NE-OD2 2.91Å; R396-D654 VanDerWaalsContact NE-OD2 3.08Å; R396-D654 IonicContact NH1-OD2 3.4Å; R396-D654 PolarHBondContact NH1-OD2 3.43Å; R396-D654 IonicContact NH2-OD2 3.15Å; D654-S656 PolarHBondContact O-N 3.39Å; D654-D657 PolarHBondContact N-OD2 2.96Å; D654-D657 PolarHBondContact O-N 2.91Å
655D38.8Very low39.6Very low152 Ų15289.2 Ų89.281%0.81346%0.459SS*.THydrogen-bonded Turntrans-54.6-7.8-179.1-78.6-37.5000113.9
656S43Very low37.5Very low17 Ų1799.5 Ų99.512%0.11950%0.496CS..THydrogen-bonded Turntrans-124.39.3-172.834.80000113.3R396 D654 E659R396-S656 PolarHBondContact NH1-OG 2.74Å; R396-S656 VanDerWaalsContact NH2-CB 3.26Å; R396-S656 PolarHBondContact NH2-O 3.46Å; R396-S656 PolarHBondContact NH2-OG 3.33Å; D654-S656 PolarHBondContact O-N 3.39Å; S656-E659 VanDerWaalsContact CA-CG 3.46Å; S656-E659 WeakPolarHBondContact CB-OE1 3.21Å
657D42.2Very low35.8Very low21 Ų2199.7 Ų99.711%0.11251%0.507CS..THydrogen-bonded Turntrans-77.3-11.5161.4-60.4-16.2000110.3R396 R641 L653 D654R396-D657 IonicContact CZ-OD1 3.95Å; R396-D657 IonicContact NH2-OD1 3.85Å; R396-D657 PolarHBondContact NH2-OD1 2.91Å; R396-D657 VanDerWaalsContact NH2-OD1 3.14Å; R641-D657 PolarHBondContact NH2-O 2.97Å; L653-D657 VanDerWaalsContact CA-OD2 3.31Å; L653-D657 WeakPolarHBondContact CA-OD2 3.36Å; L653-D657 HydrophobicContact CB-CB 4.23Å; L653-D657 HydrophobicContact CD2-CB 4.16Å; D654-D657 PolarHBondContact N-OD2 2.96Å; D654-D657 PolarHBondContact O-N 2.91Å
658F42.7Very low34.9Very low114 Ų114108.8 Ų108.850%0.555%0.546SS..THydrogen-bonded Turntrans-11637.3166.1-67.1-84000112.6L653 T660L653-F658 HydrophobicContact CB-CE2 4.48Å; L653-F658 HydrophobicContact CD1-CE2 3.56Å; L653-F658 HydrophobicContact CD1-CZ 4.03Å; F658-T660 PolarHBondContact O-N 3.42Å; F658-T660 PolarHBondContact O-OG1 2.93Å
659E32.8Very low34Very low141 Ų141112.8 Ų112.866%0.65958%0.577SS**  trans-61.986.2169.2-70.8-171.2179.200109.8S656 E661S656-E659 VanDerWaalsContact CA-CG 3.46Å; S656-E659 WeakPolarHBondContact CB-OE1 3.21Å; E659-E661 PolarHBondContact O-N 2.77Å
660T34.2Very low33.4Very low130 Ų130117.3 Ų117.380%0.79861%0.609SS**  trans-66.9107.5145.70.30000104.6F658 D662F658-T660 PolarHBondContact O-N 3.42Å; F658-T660 PolarHBondContact O-OG1 2.93Å; T660-D662 PolarHBondContact O-N 3.4Å
661E30.4Very low32.9Very low178 Ų178121 Ų12183%0.83263%0.63SS**  trans-48.8132162.5-67.3-173.4159.700108.5E659 F663E659-E661 PolarHBondContact O-N 2.77Å; E661-F663 PolarHBondContact O-N 2.97Å
662D31.8Very low32.9Very low164 Ų164124.9 Ų124.988%0.87765%0.648SS**SBendtrans-47107.6-173.5-86.9-40.4000112.4T660T660-D662 PolarHBondContact O-N 3.4Å
663F30.2Very low32.5Very low191 Ų191127.6 Ų127.684%0.83867%0.671SS**  trans-143.1130.1151.7-123.3-90.9000111.3E661E661-F663 PolarHBondContact O-N 2.97Å
664D30.4Very low32.3Very low144 Ų144135.9 Ų135.977%0.7771%0.71SS**  trans89.192.9168.3-66.6-25.4000121.6
665S32.3Very low31.7Very low117 Ų117142.5 Ų142.582%0.81875%0.745SS**  trans-43.6128.2144-44.80000113.8
666R27.5Very low32Very low240 Ų240141.3 Ų141.391%0.90674%0.738SS**  170.5149.4115.7-120.7172.1165.3147.3-4.6115
667S25.9Very low32Very low105 Ų105149.4 Ų149.473%0.73477%0.774SS**  trans86.693.9148.5-61.30000119.1
668K29.6Very low31.8Very low210 Ų210155.9 Ų155.991%0.91381%0.808SS**  trans-85.2139.7156.5-73.2178.5175.11760110.8
669T22Very low31.9Very low143 Ų143154.1 Ų154.188%0.87780%0.803SS**  trans-169.5138.2150.215.50000104.1
670S25.1Very low32.5Very low100 Ų100151.4 Ų151.470%0.69979%0.793SS**  cis-174.9141.240.8162.40000109.2
671V25.2Very low33.3Very low136 Ų136148.4 Ų148.482%0.82479%0.788SS**  trans45.8129.2140.4-171.60000121.8
672Q31.9Very low34.5Very low178 Ų178143.8 Ų143.883%0.83277%0.767SS**  trans-58148.9170.1-66.5170.8-29.500114.4
673T25.2Very low36.4Very low147 Ų147137.4 Ų137.490%0.90274%0.735SS**  trans-159.8140.3136.112.30000110.8
674E35.2Very low38.2Very low191 Ų191129.4 Ų129.489%0.89370%0.704SS**  trans-75.5121.3174.9-61.7174.5147.700109.8
675D28.7Very low40.6Very low174 Ų174126 Ų12693%0.9368%0.68SS**  trans-162.9110.4147.4-115.7-20.6000110.9
676D45.5Very low42.5Very low126 Ų126121.7 Ų121.767%0.67465%0.652SS**  trans-109.393-172.4-155.518.7000107.8
677Q43.9Very low44.5Very low187 Ų187112.5 Ų112.587%0.87462%0.62SS**SBendtrans-175.9122.6158.9-104.5152.281.800113
678L38.6Very low46.6Very low157 Ų157107.7 Ų107.782%0.82259%0.586SS**  trans78.2108.9175.4-55.9165.4000115.6
679I43.6Very low48.9Very low77 Ų7799.8 Ų99.840%0.39556%0.56SS.*SBendtrans-90104.8167.2-52.5178.3000107.9G681 Q682 V815I679-G681 VanDerWaalsContact C-N 3.26Å; I679-G681 PolarHBondContact O-N 3.05Å; I679-Q682 PolarHBondContact O-N 3.24Å; I679-V815 HydrophobicContact CB-CG2 4.43Å; I679-V815 HydrophobicContact CG2-CB 3.29Å; I679-V815 HydrophobicContact CG2-CG1 4.45Å; I679-V815 HydrophobicContact CG2-CG2 3.26Å
680N45.2Very low51.2Low85 Ų8598.7 Ų98.746%0.45555%0.545SS..THydrogen-bonded Turntrans49.827.8172.2-88.6-12.1000118.1Q682 N817 L822N680-Q682 VanDerWaalsContact C-N 3.3Å; N680-Q682 PolarHBondContact O-N 3.35Å; N680-N817 PolarHBondContact ND2-ND2 3.49Å; N680-N817 VanDerWaalsContact ND2-ND2 3.17Å; N680-L822 HydrophobicContact CB-CD2 4.41Å
681G50.8Low52.9Low67 Ų6794.6 Ų94.669%0.69152%0.515SS*.THydrogen-bonded Turntrans75.36.9172.400000116.2I679I679-G681 VanDerWaalsContact C-N 3.26Å; I679-G681 PolarHBondContact O-N 3.05Å
682Q55.3Low54.6Low80 Ų8091.6 Ų91.637%0.37450%0.499SS..SBendtrans-124139.8172.4-67.6-173.7-1300111.3I679 N680I679-Q682 PolarHBondContact O-N 3.24Å; N680-Q682 VanDerWaalsContact C-N 3.3Å; N680-Q682 PolarHBondContact O-N 3.35Å
683S72.3Confident55.8Low30 Ų3090.4 Ų90.421%0.2149%0.493CS..  trans-73148.3178.563.90000111.6R685 A686 I687 K752 N753S683-R685 PolarHBondContact O-N 3.43Å; S683-R685 VanDerWaalsContact O-N 3.1Å; S683-A686 WeakPolarHBondContact O-CA 3.42Å; S683-A686 VanDerWaalsContact O-CB 3.25Å; S683-A686 WeakPolarHBondContact O-CB 3.15Å; S683-A686 PolarHBondContact O-N 3.31Å; S683-A686 PolarHBondContact OG-N 3.1Å; S683-I687 PolarHBondContact O-N 3.29Å; S683-K752 WeakPolarHBondContact CB-O 3.17Å; S683-N753 WeakPolarHBondContact CA-OD1 3.48Å; S683-N753 WeakPolarHBondContact CB-OD1 3.48Å
684A69.1Low56.9Low23 Ų2388 Ų8819%0.1947%0.471CS..Hα-helixtrans-54.5-34.117900000113.4A686 I687 M688 F744 K752 N753A684-A686 VanDerWaalsContact C-N 3.3Å; A684-A686 PolarHBondContact O-N 3.35Å; A684-I687 WeakPolarHBondContact O-CB 3.43Å; A684-I687 PolarHBondContact O-N 2.82Å; A684-M688 PolarHBondContact O-N 3.03Å; A684-M688 VanDerWaalsContact O-N 3.1Å; A684-F744 HydrophobicContact CB-CE2 4.3Å; A684-F744 HydrophobicContact CB-CZ 3.94Å; A684-K752 PolarHBondContact N-O 2.93Å; A684-N753 PolarHBondContact N-OD1 2.92Å
685R79.6Confident57.8Low73 Ų7380.5 Ų80.528%0.27544%0.436SS..Hα-helixtrans-61.1-36172.2-176.8-169.457.4166.26.4113.1S683 I687 M688 A689 F744 G747 K748 G749 L751 K752S683-R685 PolarHBondContact O-N 3.43Å; S683-R685 VanDerWaalsContact O-N 3.1Å; R685-I687 VanDerWaalsContact C-N 3.29Å; R685-M688 PolarHBondContact O-N 3.24Å; R685-A689 PolarHBondContact O-N 3.43Å; R685-F744 HydrophobicContact CB-CD2 3.98Å; R685-F744 HydrophobicContact CB-CE2 3.88Å; R685-F744 HydrophobicContact CG-CD2 4.38Å; R685-G747 WeakPolarHBondContact O-CA 3.29Å; R685-K748 WeakPolarHBondContact CD-O 3.48Å; R685-G749 WeakPolarHBondContact CD-O 3.09Å; R685-G749 PolarHBondContact NH1-O 3.28Å; R685-L751 VanDerWaalsContact CD-O 3.29Å; R685-L751 WeakPolarHBondContact CD-O 3.45Å; R685-K752 WeakPolarHBondContact CB-O 3.24Å; R685-K752 PolarHBondContact N-O 3.01Å
686A72.8Confident59.7Low27 Ų2775.5 Ų75.522%0.22341%0.406CS..Hα-helixtrans-69.1-32.3178.300000111.4S683 A684 A689 Q690S683-A686 WeakPolarHBondContact O-CA 3.42Å; S683-A686 VanDerWaalsContact O-CB 3.25Å; S683-A686 WeakPolarHBondContact O-CB 3.15Å; S683-A686 PolarHBondContact O-N 3.31Å; S683-A686 PolarHBondContact OG-N 3.1Å; A684-A686 VanDerWaalsContact C-N 3.3Å; A684-A686 PolarHBondContact O-N 3.35Å; A686-A689 PolarHBondContact O-N 2.78Å; A686-Q690 WeakPolarHBondContact O-CG 3.43Å; A686-Q690 PolarHBondContact O-N 3.21Å
687I68.9Low60.6Low46 Ų4672.3 Ų72.324%0.23640%0.397CS..Hα-helixtrans-65.8-46.3172.3-55.8175.3000109.7S683 A684 R685 A689 Q690 L691 V815S683-I687 PolarHBondContact O-N 3.29Å; A684-I687 WeakPolarHBondContact O-CB 3.43Å; A684-I687 PolarHBondContact O-N 2.82Å; R685-I687 VanDerWaalsContact C-N 3.29Å; I687-A689 PolarHBondContact O-N 2.8Å; I687-Q690 PolarHBondContact O-N 3.42Å; I687-L691 PolarHBondContact O-N 2.88Å; I687-V815 HydrophobicContact CD1-CG2 3.98Å
688M70.9Confident61.5Low5 Ų566.3 Ų66.33%0.02537%0.368CS..Hα-helixtrans-58.3-34.3173.8-62.7-55.5-81.900113.2A684 R685 Q690 L691 I699 F744 T745 C878 A882A684-M688 PolarHBondContact O-N 3.03Å; A684-M688 VanDerWaalsContact O-N 3.1Å; R685-M688 PolarHBondContact O-N 3.24Å; M688-Q690 VanDerWaalsContact C-N 3.27Å; M688-Q690 PolarHBondContact O-N 3.39Å; M688-L691 HydrophobicContact CE-CD1 3.93Å; M688-L691 WeakPolarHBondContact O-CG 3.47Å; M688-L691 HydrophobicContact SD-CD1 3.97Å; M688-I699 HydrophobicContact CE-CD1 4.38Å; M688-F744 WeakPolarHBondContact CB-O 3.34Å; M688-F744 HydrophobicContact CG-CE1 4.23Å; M688-F744 HydrophobicContact CG-CZ 4.43Å; M688-T745 HydrophobicContact CE-CG2 4.38Å; M688-T745 WeakPolarHBondContact CE-O 3.44Å; M688-C878 PolarHBondContact SD-SG 3.22Å; M688-A882 HydrophobicContact CE-CB 3.54Å
689A76.8Confident62.9Low43 Ų4359 Ų5936%0.35533%0.33SS..Hα-helixtrans-71.1-23.2177.900000113R685 A686 I687 K696R685-A689 PolarHBondContact O-N 3.43Å; A686-A689 PolarHBondContact O-N 2.78Å; I687-A689 PolarHBondContact O-N 2.8Å; A689-K696 WeakPolarHBondContact O-CE 3.38Å; A689-K696 PolarHBondContact O-NZ 3.5Å
690Q70.4Confident64.4Low121 Ų12157.9 Ų57.957%0.56533%0.332SS*.THydrogen-bonded Turntrans-97.83.4-177.1-67.9175.525.900113.1A686 I687 M688A686-Q690 WeakPolarHBondContact O-CG 3.43Å; A686-Q690 PolarHBondContact O-N 3.21Å; I687-Q690 PolarHBondContact O-N 3.42Å; M688-Q690 VanDerWaalsContact C-N 3.27Å; M688-Q690 PolarHBondContact O-N 3.39Å
691L61Low65.7Low13 Ų1360.4 Ų60.47%0.06834%0.341CS..SBendtrans-55.6149.1176.6-67.5173.8000112.4I687 M688 K696 I699I687-L691 PolarHBondContact O-N 2.88Å; M688-L691 HydrophobicContact CE-CD1 3.93Å; M688-L691 WeakPolarHBondContact O-CG 3.47Å; M688-L691 HydrophobicContact SD-CD1 3.97Å; L691-K696 HydrophobicContact CB-CG 4.28Å; L691-K696 WeakPolarHBondContact O-CD 3.35Å; L691-K696 WeakPolarHBondContact O-CE 3.5Å; L691-K696 PolarHBondContact O-NZ 3.22Å; L691-I699 HydrophobicContact CD1-CD1 3.93Å
692P61.6Low66.5Low74 Ų7459.9 Ų59.948%0.48132%0.321SS..  trans-51.5150.3172.4-2633.5000113.2E694 Q695 K696P692-E694 VanDerWaalsContact C-N 3.27Å; P692-E694 PolarHBondContact O-N 2.96Å; P692-Q695 HydrophobicContact CB-CG 4.28Å; P692-Q695 HydrophobicContact CG-CG 4.43Å; P692-Q695 PolarHBondContact O-N 2.63Å; P692-K696 PolarHBondContact O-N 2.89Å; P692-K696 VanDerWaalsContact O-N 3.09Å
693Q56.1Low67.6Low153 Ų15356.4 Ų56.472%0.71531%0.305SS*.Hα-helixtrans-62-33.8-173.7-170.864.87.100113.1K696 A697Q693-K696 WeakPolarHBondContact O-CB 3.49Å; Q693-K696 PolarHBondContact O-N 3.26Å; Q693-A697 PolarHBondContact O-N 3.15Å; Q693-A697 VanDerWaalsContact O-N 3.09Å
694E49.3Very low68Low96 Ų9657.9 Ų57.945%0.44932%0.319SS..Hα-helixtrans-66.7-44.5177.4-165.9-165.1140.900112.5I647 P692 K696 A697 K698I647-E694 WeakPolarHBondContact CD1-OE1 3.2Å; I647-E694 WeakPolarHBondContact CG1-OE1 3.4Å; P692-E694 VanDerWaalsContact C-N 3.27Å; P692-E694 PolarHBondContact O-N 2.96Å; E694-K696 VanDerWaalsContact C-N 3.3Å; E694-K696 PolarHBondContact O-N 3.4Å; E694-A697 WeakPolarHBondContact O-CB 3.16Å; E694-A697 PolarHBondContact O-N 2.75Å; E694-A697 VanDerWaalsContact O-N 3.08Å; E694-K698 PolarHBondContact O-N 3.36Å
695Q54.1Low68.2Low34 Ų3458.8 Ų58.816%0.15932%0.324CS..Hα-helixtrans-65-36.4175.6-60.4-168.1-18.900111.5P692 A697 K698 I699 L879P692-Q695 HydrophobicContact CB-CG 4.28Å; P692-Q695 HydrophobicContact CG-CG 4.43Å; P692-Q695 PolarHBondContact O-N 2.63Å; Q695-A697 VanDerWaalsContact C-N 3.29Å; Q695-A697 PolarHBondContact O-N 3.28Å; Q695-K698 PolarHBondContact O-N 3.36Å; Q695-I699 WeakPolarHBondContact O-CG1 3.36Å; Q695-I699 PolarHBondContact O-N 2.96Å; Q695-I699 VanDerWaalsContact O-N 3.09Å; Q695-L879 HydrophobicContact CB-CD1 3.94Å; Q695-L879 HydrophobicContact CB-CD2 3.93Å; Q695-L879 HydrophobicContact CB-CG 4.46Å; Q695-L879 HydrophobicContact CG-CD2 3.79Å
696K67.6Low68.5Low69 Ų6955.3 Ų55.330%0.331%0.311SS..Hα-helixtrans-63.5-33.3172.5-75.4171.3171.4153.50112.7A689 L691 P692 Q693 E694 A700A689-K696 WeakPolarHBondContact O-CE 3.38Å; A689-K696 PolarHBondContact O-NZ 3.5Å; L691-K696 HydrophobicContact CB-CG 4.28Å; L691-K696 WeakPolarHBondContact O-CD 3.35Å; L691-K696 WeakPolarHBondContact O-CE 3.5Å; L691-K696 PolarHBondContact O-NZ 3.22Å; P692-K696 PolarHBondContact O-N 2.89Å; P692-K696 VanDerWaalsContact O-N 3.09Å; Q693-K696 WeakPolarHBondContact O-CB 3.49Å; Q693-K696 PolarHBondContact O-N 3.26Å; E694-K696 VanDerWaalsContact C-N 3.3Å; E694-K696 PolarHBondContact O-N 3.4Å; K696-A700 VanDerWaalsContact O-CB 3.28Å; K696-A700 WeakPolarHBondContact O-CB 3.43Å; K696-A700 PolarHBondContact O-N 2.89Å
697A65.6Low69Low58 Ų5857 Ų5748%0.47931%0.314SS..Hα-helixtrans-67.8-46.517700000111.7Q693 E694 Q695 I699 A700 E701Q693-A697 PolarHBondContact O-N 3.15Å; Q693-A697 VanDerWaalsContact O-N 3.09Å; E694-A697 WeakPolarHBondContact O-CB 3.16Å; E694-A697 PolarHBondContact O-N 2.75Å; E694-A697 VanDerWaalsContact O-N 3.08Å; Q695-A697 VanDerWaalsContact C-N 3.29Å; Q695-A697 PolarHBondContact O-N 3.28Å; A697-I699 PolarHBondContact O-N 3.04Å; A697-A700 WeakPolarHBondContact O-CB 3.46Å; A697-A700 PolarHBondContact O-N 3.15Å; A697-A700 VanDerWaalsContact O-N 3.08Å; A697-E701 PolarHBondContact O-N 3.28Å
698K62.1Low69.6Low62 Ų6260 Ų6027%0.2733%0.327SS..Hα-helixtrans-59.4-43.7174.7-66.4-176.4179.1-178.60112.2E694 Q695 A700 E701 Q702 L879 M883E694-K698 PolarHBondContact O-N 3.36Å; Q695-K698 PolarHBondContact O-N 3.36Å; K698-A700 VanDerWaalsContact C-N 3.33Å; K698-A700 PolarHBondContact O-N 2.82Å; K698-E701 PolarHBondContact O-N 2.96Å; K698-Q702 PolarHBondContact O-N 3.24Å; K698-L879 HydrophobicContact CD-CD2 4.42Å; K698-M883 HydrophobicContact CB-SD 4.35Å
699I67Low70.1Confident4 Ų460.8 Ų60.82%0.02133%0.331CS..Hα-helixtrans-61.6-42.3173.4-69.3173.7000110.9M688 L691 Q695 A697 E701 Q702 V703 T745 R746 L879 A882 I886M688-I699 HydrophobicContact CE-CD1 4.38Å; L691-I699 HydrophobicContact CD1-CD1 3.93Å; Q695-I699 WeakPolarHBondContact O-CG1 3.36Å; Q695-I699 PolarHBondContact O-N 2.96Å; Q695-I699 VanDerWaalsContact O-N 3.09Å; A697-I699 PolarHBondContact O-N 3.04Å; I699-E701 PolarHBondContact O-N 3.01Å; I699-Q702 PolarHBondContact O-N 3.2Å; I699-V703 HydrophobicContact CG2-CG2 4.15Å; I699-V703 WeakPolarHBondContact O-CB 3.41Å; I699-V703 WeakPolarHBondContact O-CG2 3.09Å; I699-V703 PolarHBondContact O-N 2.81Å; I699-T745 WeakPolarHBondContact CD1-O 3.36Å; I699-R746 HydrophobicContact CG2-CG 3.99Å; I699-L879 HydrophobicContact CD1-CD1 3.52Å; I699-L879 HydrophobicContact CG1-CD1 3.43Å; I699-L879 VanDerWaalsContact CG1-CD1 3.43Å; I699-A882 HydrophobicContact CD1-CB 4.42Å; I699-I886 HydrophobicContact CG2-CD1 3.98Å
700A75.1Confident70.6Confident53 Ų5360.4 Ų60.444%0.43832%0.321SS..Hα-helixtrans-64.1-39.8-17900000112.6K696 A697 K698 V703 A704K696-A700 VanDerWaalsContact O-CB 3.28Å; K696-A700 WeakPolarHBondContact O-CB 3.43Å; K696-A700 PolarHBondContact O-N 2.89Å; A697-A700 WeakPolarHBondContact O-CB 3.46Å; A697-A700 PolarHBondContact O-N 3.15Å; A697-A700 VanDerWaalsContact O-N 3.08Å; K698-A700 VanDerWaalsContact C-N 3.33Å; K698-A700 PolarHBondContact O-N 2.82Å; A700-V703 PolarHBondContact O-N 3.28Å; A700-A704 WeakPolarHBondContact O-CB 3.39Å; A700-A704 PolarHBondContact O-N 3Å
701E73.5Confident71.2Confident138 Ų13857.8 Ų57.865%0.64532%0.316SS*.Hα-helixtrans-64.1-48.4176.2-173.4-179.1-175.600111.9A697 K698 I699 V703 A704 S705A697-E701 PolarHBondContact O-N 3.28Å; K698-E701 PolarHBondContact O-N 2.96Å; I699-E701 PolarHBondContact O-N 3.01Å; E701-V703 VanDerWaalsContact C-N 3.32Å; E701-V703 PolarHBondContact O-N 2.89Å; E701-A704 WeakPolarHBondContact O-CB 3.37Å; E701-A704 PolarHBondContact O-N 3.46Å; E701-A704 VanDerWaalsContact O-N 3.08Å; E701-S705 PolarHBondContact O-N 2.8Å
702Q66.7Low72.2Confident56 Ų5661.4 Ų61.426%0.26233%0.331SS..Hα-helixtrans-63.2-38.9177-70.3-60.5-30.500111.9K698 I699 A704 S705 F706 I886K698-Q702 PolarHBondContact O-N 3.24Å; I699-Q702 PolarHBondContact O-N 3.2Å; Q702-A704 VanDerWaalsContact C-N 3.34Å; Q702-S705 WeakPolarHBondContact O-CB 3.15Å; Q702-S705 PolarHBondContact O-N 3.2Å; Q702-F706 PolarHBondContact O-N 3.21Å; Q702-I886 HydrophobicContact CB-CB 4.43Å; Q702-I886 HydrophobicContact CB-CD1 4.39Å; Q702-I886 HydrophobicContact CB-CG2 3.84Å
703V79.7Confident73.2Confident7 Ų757.9 Ų57.94%0.04231%0.309CS..Hα-helixtrans-65.7-36.5173.5171.70000111.2I699 A700 E701 F706 Q707 R746 I886I699-V703 HydrophobicContact CG2-CG2 4.15Å; I699-V703 WeakPolarHBondContact O-CB 3.41Å; I699-V703 WeakPolarHBondContact O-CG2 3.09Å; I699-V703 PolarHBondContact O-N 2.81Å; A700-V703 PolarHBondContact O-N 3.28Å; E701-V703 VanDerWaalsContact C-N 3.32Å; E701-V703 PolarHBondContact O-N 2.89Å; V703-F706 WeakPolarHBondContact O-CB 3.48Å; V703-F706 PolarHBondContact O-N 3.01Å; V703-Q707 HydrophobicContact CG1-CG 4.21Å; V703-Q707 VanDerWaalsContact O-CG 3.26Å; V703-Q707 WeakPolarHBondContact O-CG 3.41Å; V703-Q707 PolarHBondContact O-N 3.25Å; V703-R746 HydrophobicContact CG2-CG 4.26Å; V703-I886 HydrophobicContact CG2-CD1 3.89Å; V703-I886 HydrophobicContact CG2-CG1 4.23Å; V703-I886 HydrophobicContact CG2-CG2 4.3Å
704A79.3Confident74.4Confident61 Ų6153.8 Ų53.850%0.50429%0.291SS..Hα-helixtrans-63-43.5175.400000111.4A700 E701 Q702 F706 Q707 E708A700-A704 WeakPolarHBondContact O-CB 3.39Å; A700-A704 PolarHBondContact O-N 3Å; E701-A704 WeakPolarHBondContact O-CB 3.37Å; E701-A704 PolarHBondContact O-N 3.46Å; E701-A704 VanDerWaalsContact O-N 3.08Å; Q702-A704 VanDerWaalsContact C-N 3.34Å; A704-F706 VanDerWaalsContact C-N 3.31Å; A704-F706 PolarHBondContact O-N 3.43Å; A704-Q707 PolarHBondContact O-N 3.06Å; A704-Q707 VanDerWaalsContact O-N 3.15Å; A704-E708 PolarHBondContact O-N 3.48Å
705S74.1Confident75.9Confident41 Ų4151.8 Ų51.829%0.28729%0.291SS..Hα-helixtrans-58.4-41.9172-168.60000112E701 Q702 E708 K890E701-S705 PolarHBondContact O-N 2.8Å; Q702-S705 WeakPolarHBondContact O-CB 3.15Å; Q702-S705 PolarHBondContact O-N 3.2Å; S705-E708 PolarHBondContact O-N 2.9Å; S705-K890 WeakPolarHBondContact OG-CD 3.43Å; S705-K890 PolarHBondContact OG-NZ 2.85Å
706F86.1Confident77.3Confident0 Ų051 Ų510%029%0.287CS..Hα-helixtrans-63.8-40.4173.7169.5-93000113Q702 V703 A704 E708 E709 K710 M738 M739 T742 I886 A889 K890 M893Q702-F706 PolarHBondContact O-N 3.21Å; V703-F706 WeakPolarHBondContact O-CB 3.48Å; V703-F706 PolarHBondContact O-N 3.01Å; A704-F706 VanDerWaalsContact C-N 3.31Å; A704-F706 PolarHBondContact O-N 3.43Å; F706-E708 VanDerWaalsContact C-N 3.26Å; F706-E708 PolarHBondContact O-N 3.43Å; F706-E709 PolarHBondContact O-N 3.44Å; F706-K710 HydrophobicContact CE1-CB 4.44Å; F706-K710 WeakPolarHBondContact O-CB 3.49Å; F706-K710 PolarHBondContact O-N 3Å; F706-M738 HydrophobicContact CE2-CB 4.21Å; F706-M738 HydrophobicContact CZ-CB 4.03Å; F706-M739 HydrophobicContact CE1-CG 4.17Å; F706-M739 HydrophobicContact CZ-CG 4.41Å; F706-T742 HydrophobicContact CD1-CG2 4.01Å; F706-T742 HydrophobicContact CD2-CG2 4.18Å; F706-T742 HydrophobicContact CE1-CG2 3.95Å; F706-T742 HydrophobicContact CE2-CG2 4.14Å; F706-T742 HydrophobicContact CG-CG2 4.13Å; F706-T742 HydrophobicContact CZ-CG2 4.01Å; F706-I886 HydrophobicContact CB-CG2 4.21Å; F706-A889 HydrophobicContact CD2-CB 4.2Å; F706-A889 HydrophobicContact CE2-CB 3.91Å; F706-K890 HydrophobicContact CB-CB 4.3Å; F706-K890 HydrophobicContact CD2-CB 4.14Å; F706-M893 HydrophobicContact CE1-CE 4.32Å; F706-M893 HydrophobicContact CE2-CB 4.32Å; F706-M893 HydrophobicContact CE2-CE 3.46Å; F706-M893 VanDerWaalsContact CE2-CE 3.46Å; F706-M893 HydrophobicContact CZ-CE 3.3Å
707Q83.6Confident78.1Confident63 Ų6348 Ų4829%0.29428%0.275SS..Hα-helixtrans-65.1-29.1179.8-72.4-69.7-15.300112.7V703 A704 S711V703-Q707 HydrophobicContact CG1-CG 4.21Å; V703-Q707 VanDerWaalsContact O-CG 3.26Å; V703-Q707 WeakPolarHBondContact O-CG 3.41Å; V703-Q707 PolarHBondContact O-N 3.25Å; A704-Q707 PolarHBondContact O-N 3.06Å; A704-Q707 VanDerWaalsContact O-N 3.15Å; Q707-S711 WeakPolarHBondContact O-CB 3.25Å; Q707-S711 PolarHBondContact O-N 3.39Å; Q707-S711 PolarHBondContact O-OG 3.45Å
708E80.1Confident78.8Confident108 Ų10848 Ų4851%0.50527%0.271SS..Hα-helixtrans-62.9-50.6172.4-164.5-161.8141.300111A704 S705 F706 K710 S711 K712A704-E708 PolarHBondContact O-N 3.48Å; S705-E708 PolarHBondContact O-N 2.9Å; F706-E708 VanDerWaalsContact C-N 3.26Å; F706-E708 PolarHBondContact O-N 3.43Å; E708-K710 VanDerWaalsContact C-N 3.34Å; E708-K710 PolarHBondContact O-N 3.34Å; E708-S711 WeakPolarHBondContact O-CB 3.45Å; E708-S711 PolarHBondContact O-N 3.35Å; E708-S711 VanDerWaalsContact O-N 3.15Å; E708-K712 PolarHBondContact O-N 3.04Å; E708-K712 VanDerWaalsContact O-N 3.12Å; E708-K712 VanDerWaalsContact OE1-CE 3.3Å; E708-K712 WeakPolarHBondContact OE1-CE 3.34Å; E708-K712 IonicContact OE1-NZ 3.21Å; E708-K712 PolarHBondContact OE1-NZ 2.93Å
709E82.9Confident79.6Confident22 Ų2250 Ų5010%0.10328%0.28CS..Hα-helixtrans-63.5-39.4176.8-67.3-56.2124.600112F706 S711 K712 L713 K890 M893 N894F706-E709 PolarHBondContact O-N 3.44Å; E709-S711 VanDerWaalsContact C-N 3.31Å; E709-S711 PolarHBondContact O-N 3.48Å; E709-K712 WeakPolarHBondContact O-CB 3.12Å; E709-K712 PolarHBondContact O-N 3.43Å; E709-K712 IonicContact OE1-NZ 3.44Å; E709-K712 PolarHBondContact OE1-NZ 3.46Å; E709-L713 PolarHBondContact O-N 2.91Å; E709-K890 HydrophobicContact CB-CG 4.44Å; E709-K890 HydrophobicContact CG-CG 3.85Å; E709-M893 HydrophobicContact CB-CB 4.27Å; E709-M893 HydrophobicContact CB-CG 4.07Å; E709-N894 WeakPolarHBondContact OE2-CB 3.33Å; E709-N894 PolarHBondContact OE2-ND2 3.47Å
710K87.3Confident80.3Confident35 Ų3550.5 Ų50.515%0.15228%0.282CS..Hα-helixtrans-61.1-40.3173.4-176-93.5179173.30111.8F706 E708 K712 L713 D714 M739 M893F706-K710 HydrophobicContact CE1-CB 4.44Å; F706-K710 WeakPolarHBondContact O-CB 3.49Å; F706-K710 PolarHBondContact O-N 3Å; E708-K710 VanDerWaalsContact C-N 3.34Å; E708-K710 PolarHBondContact O-N 3.34Å; K710-K712 VanDerWaalsContact C-N 3.28Å; K710-K712 PolarHBondContact O-N 3.3Å; K710-L713 PolarHBondContact O-N 3.14Å; K710-L713 VanDerWaalsContact O-N 3.15Å; K710-D714 WeakPolarHBondContact CE-OD2 3.11Å; K710-D714 IonicContact NZ-OD1 3.99Å; K710-D714 IonicContact NZ-OD2 2.93Å; K710-D714 PolarHBondContact NZ-OD2 3.28Å; K710-D714 PolarHBondContact O-N 3.1Å; K710-M739 HydrophobicContact CD-SD 4.32Å; K710-M739 VanDerWaalsContact CE-SD 3.55Å; K710-M739 HydrophobicContact CG-SD 4.38Å; K710-M893 HydrophobicContact CB-CE 4.26Å; K710-M893 HydrophobicContact CG-CE 4.31Å
711S82.3Confident80.5Confident67 Ų6749.9 Ų49.947%0.46927%0.271SS..Hα-helixtrans-63.9-35.2176.9-63.90000111.9Q707 E708 E709 A715Q707-S711 WeakPolarHBondContact O-CB 3.25Å; Q707-S711 PolarHBondContact O-N 3.39Å; Q707-S711 PolarHBondContact O-OG 3.45Å; E708-S711 WeakPolarHBondContact O-CB 3.45Å; E708-S711 PolarHBondContact O-N 3.35Å; E708-S711 VanDerWaalsContact O-N 3.15Å; E709-S711 VanDerWaalsContact C-N 3.31Å; E709-S711 PolarHBondContact O-N 3.48Å; S711-A715 WeakPolarHBondContact O-CB 3.25Å; S711-A715 PolarHBondContact O-N 3.02Å
712K81.5Confident80.9Confident88 Ų8846 Ų4638%0.38326%0.255SS..Hα-helixtrans-64.2-42172-64.6170.3-170.9163.80111.1E708 E709 K710 E716E708-K712 PolarHBondContact O-N 3.04Å; E708-K712 VanDerWaalsContact O-N 3.12Å; E708-K712 VanDerWaalsContact OE1-CE 3.3Å; E708-K712 WeakPolarHBondContact OE1-CE 3.34Å; E708-K712 IonicContact OE1-NZ 3.21Å; E708-K712 PolarHBondContact OE1-NZ 2.93Å; E709-K712 WeakPolarHBondContact O-CB 3.12Å; E709-K712 PolarHBondContact O-N 3.43Å; E709-K712 IonicContact OE1-NZ 3.44Å; E709-K712 PolarHBondContact OE1-NZ 3.46Å; K710-K712 VanDerWaalsContact C-N 3.28Å; K710-K712 PolarHBondContact O-N 3.3Å; K712-E716 PolarHBondContact O-N 2.76Å; K712-E716 VanDerWaalsContact O-N 3.14Å
713L84.2Confident81.3Confident1 Ų147.1 Ų47.11%0.00527%0.269CS..Hα-helixtrans-65.1-48.4175.6-171.263000112.4E709 K710 A715 E716 V717 C735 M893 V896 V897E709-L713 PolarHBondContact O-N 2.91Å; K710-L713 PolarHBondContact O-N 3.14Å; K710-L713 VanDerWaalsContact O-N 3.15Å; L713-A715 VanDerWaalsContact C-N 3.3Å; L713-A715 PolarHBondContact O-N 3.45Å; L713-E716 CarbonylContact O-C 3.36Å; L713-E716 WeakPolarHBondContact O-CA 3.28Å; L713-E716 PolarHBondContact O-N 2.89Å; L713-V717 HydrophobicContact CD1-CG1 3.67Å; L713-V717 HydrophobicContact CG-CG1 3.98Å; L713-V717 WeakPolarHBondContact O-CG2 3.5Å; L713-V717 PolarHBondContact O-N 3.48Å; L713-C735 HydrophobicContact CD2-CB 3.7Å; L713-M893 HydrophobicContact CB-SD 4.11Å; L713-M893 HydrophobicContact CD2-SD 3.33Å; L713-M893 WeakPolarHBondContact CD2-SD 3.43Å; L713-M893 HydrophobicContact CG-SD 4.34Å; L713-V896 HydrophobicContact CD1-CG1 4.11Å; L713-V896 HydrophobicContact CD2-CG1 4.21Å; L713-V897 HydrophobicContact CB-CG2 3.47Å; L713-V897 VanDerWaalsContact CB-CG2 3.47Å; L713-V897 HydrophobicContact CD1-CB 4.27Å; L713-V897 HydrophobicContact CD1-CG2 3.57Å; L713-V897 HydrophobicContact CG-CG2 4.05Å
714D80.2Confident80.9Confident66 Ų6649.1 Ų49.135%0.35329%0.291SS..Hα-helixtrans-56-45177.1-86-5.8000111.9K710 E716 S718K710-D714 WeakPolarHBondContact CE-OD2 3.11Å; K710-D714 IonicContact NZ-OD1 3.99Å; K710-D714 IonicContact NZ-OD2 2.93Å; K710-D714 PolarHBondContact NZ-OD2 3.28Å; K710-D714 PolarHBondContact O-N 3.1Å; D714-E716 PolarHBondContact O-N 3.1Å; D714-S718 WeakPolarHBondContact O-CB 3.38Å; D714-S718 PolarHBondContact O-N 3.41Å; D714-S718 PolarHBondContact O-OG 2.95Å
715A80.4Confident81Confident54 Ų5446.2 Ų46.245%0.44627%0.267SS..Hα-helixtrans-62.4-32.9177.200000112.1S711 L713 S718 K719S711-A715 WeakPolarHBondContact O-CB 3.25Å; S711-A715 PolarHBondContact O-N 3.02Å; L713-A715 VanDerWaalsContact C-N 3.3Å; L713-A715 PolarHBondContact O-N 3.45Å; A715-S718 PolarHBondContact O-OG 3.33Å; A715-K719 WeakPolarHBondContact O-CE 3.34Å
716E84.6Confident81.4Confident17 Ų1748.3 Ų48.38%0.07928%0.275CS..Hα-helixtrans-79.3-54.1178.2-16856.1-133.500112.2K712 L713 D714 S718 K719 W720 V900 K901K712-E716 PolarHBondContact O-N 2.76Å; K712-E716 VanDerWaalsContact O-N 3.14Å; L713-E716 CarbonylContact O-C 3.36Å; L713-E716 WeakPolarHBondContact O-CA 3.28Å; L713-E716 PolarHBondContact O-N 2.89Å; D714-E716 PolarHBondContact O-N 3.1Å; E716-S718 VanDerWaalsContact C-N 3.26Å; E716-S718 PolarHBondContact O-N 3.41Å; E716-K719 WeakPolarHBondContact O-CB 3.32Å; E716-K719 WeakPolarHBondContact O-CG 3.49Å; E716-K719 PolarHBondContact O-N 3.46Å; E716-K719 IonicContact OE1-NZ 3.94Å; E716-K719 IonicContact OE2-NZ 2.69Å; E716-K719 PolarHBondContact OE2-NZ 3.13Å; E716-W720 PolarHBondContact OE1-NE1 3.41Å; E716-V900 HydrophobicContact CG-CG1 4.24Å; E716-K901 HydrophobicContact CG-CG 3.86Å; E716-K901 WeakPolarHBondContact OE2-CE 3.36Å
717V83.2Confident81.3Confident8 Ų848.3 Ų48.35%0.04828%0.275CS..Hα-helixtrans-68.4-23.3-176.6-570000113L713 K719 W720 I728 A731 K732L713-V717 HydrophobicContact CD1-CG1 3.67Å; L713-V717 HydrophobicContact CG-CG1 3.98Å; L713-V717 WeakPolarHBondContact O-CG2 3.5Å; L713-V717 PolarHBondContact O-N 3.48Å; V717-K719 PolarHBondContact O-N 2.8Å; V717-W720 PolarHBondContact O-N 2.86Å; V717-I728 HydrophobicContact CB-CG2 4.48Å; V717-I728 HydrophobicContact CG1-CD1 4.47Å; V717-A731 HydrophobicContact CG1-CB 4.26Å; V717-K732 HydrophobicContact CB-CG 4.47Å; V717-K732 HydrophobicContact CG2-CG 4.22Å
718S80.9Confident81.5Confident56 Ų5645.3 Ų45.339%0.39226%0.261SS..THydrogen-bonded Turntrans-70.6-16.5176.660.30000113.9D714 A715 E716 W720D714-S718 WeakPolarHBondContact O-CB 3.38Å; D714-S718 PolarHBondContact O-N 3.41Å; D714-S718 PolarHBondContact O-OG 2.95Å; A715-S718 PolarHBondContact O-OG 3.33Å; E716-S718 VanDerWaalsContact C-N 3.26Å; E716-S718 PolarHBondContact O-N 3.41Å; S718-W720 VanDerWaalsContact C-N 3.28Å
719K79.4Confident81.9Confident105 Ų10543.1 Ų43.146%0.45726%0.255SS..THydrogen-bonded Turntrans-72.2-26174.3-59.6169.5-173.6170.10112A715 E716 V717 M928 K929A715-K719 WeakPolarHBondContact O-CE 3.34Å; E716-K719 WeakPolarHBondContact O-CB 3.32Å; E716-K719 WeakPolarHBondContact O-CG 3.49Å; E716-K719 PolarHBondContact O-N 3.46Å; E716-K719 IonicContact OE1-NZ 3.94Å; E716-K719 IonicContact OE2-NZ 2.69Å; E716-K719 PolarHBondContact OE2-NZ 3.13Å; V717-K719 PolarHBondContact O-N 2.8Å; K719-M928 WeakPolarHBondContact O-CA 3.48Å; K719-K929 PolarHBondContact O-N 3.09Å
720W82.3Confident82.1Confident14 Ų1442.7 Ų42.75%0.05325%0.253CS..BIsolated β-bridgetrans-106.6137.9-166.7-56.2108.7000111.8E716 V717 S718 I728 Y904 W926 M928 K929E716-W720 PolarHBondContact OE1-NE1 3.41Å; V717-W720 PolarHBondContact O-N 2.86Å; S718-W720 VanDerWaalsContact C-N 3.28Å; W720-I728 HydrophobicContact CB-CD1 3.86Å; W720-I728 HydrophobicContact CB-CG1 3.91Å; W720-I728 HydrophobicContact CB-CG2 4.49Å; W720-I728 HydrophobicContact CG-CD1 3.96Å; W720-I728 HydrophobicContact CG-CG1 4.41Å; W720-Y904 HydrophobicContact CH2-CD1 4.02Å; W720-Y904 AromaticContact CH2-CD2 3.41Å; W720-Y904 HydrophobicContact CH2-CD2 3.41Å; W720-Y904 VanDerWaalsContact CH2-CD2 3.41Å; W720-Y904 AromaticContact CH2-CE1 3.88Å; W720-Y904 HydrophobicContact CH2-CE1 3.88Å; W720-Y904 AromaticContact CH2-CE2 3.26Å; W720-Y904 HydrophobicContact CH2-CE2 3.26Å; W720-Y904 AromaticContact CH2-CG 3.79Å; W720-Y904 HydrophobicContact CH2-CG 3.79Å; W720-Y904 AromaticContact CH2-CZ 3.51Å; W720-Y904 AromaticContact CZ2-CD1 3.9Å; W720-Y904 HydrophobicContact CZ2-CD1 3.9Å; W720-Y904 AromaticContact CZ2-CD2 3.85Å; W720-Y904 HydrophobicContact CZ2-CD2 3.85Å; W720-Y904 HydrophobicContact CZ2-CE1 4.12Å; W720-Y904 HydrophobicContact CZ2-CE2 4.09Å; W720-Y904 AromaticContact CZ2-CG 3.75Å; W720-Y904 HydrophobicContact CZ2-CG 3.75Å; W720-Y904 HydrophobicContact CZ3-CD2 4.01Å; W720-Y904 AromaticContact CZ3-CE2 3.85Å; W720-Y904 HydrophobicContact CZ3-CE2 3.85Å; W720-W926 AromaticContact CD2-CE3 3.7Å; W720-W926 HydrophobicContact CD2-CE3 3.7Å; W720-W926 AromaticContact CD2-CZ3 4Å; W720-W926 HydrophobicContact CD2-CZ3 4Å; W720-W926 AromaticContact CE2-CE3 3.95Å; W720-W926 AromaticContact CE2-CZ3 4Å; W720-W926 HydrophobicContact CE3-CB 4.47Å; W720-W926 AromaticContact CE3-CE3 3.76Å; W720-W926 HydrophobicContact CE3-CE3 3.76Å; W720-W926 HydrophobicContact CG-CE3 4.22Å; W720-W926 HydrophobicContact CG-CZ3 4.17Å; W720-W926 HydrophobicContact CH2-CE3 4.34Å; W720-W926 HydrophobicContact CZ2-CE3 4.27Å; W720-W926 HydrophobicContact CZ3-CB 4.19Å; W720-W926 HydrophobicContact CZ3-CE3 4.08Å; W720-M928 HydrophobicContact CE3-CG 4.27Å; W720-M928 HydrophobicContact CH2-CG 4.42Å; W720-M928 HydrophobicContact CZ3-CG 3.84Å; W720-K929 WeakPolarHBondContact O-CD 3.37Å; W720-K929 WeakPolarHBondContact O-CE 3.43Å
721D78.9Confident82.2Confident40 Ų4041 Ų4121%0.21425%0.246CC..  trans-75131.2167.9179.237.2000108.6S723 R927 K929D721-S723 VanDerWaalsContact C-N 3.33Å; D721-S723 PolarHBondContact OD1-N 3.14Å; D721-S723 PolarHBondContact OD1-OG 2.97Å; D721-S723 VanDerWaalsContact OD2-CB 3.32Å; D721-S723 WeakPolarHBondContact OD2-CB 3.38Å; D721-S723 PolarHBondContact OD2-OG 2.91Å; D721-R927 HydrophobicContact CB-CB 3.95Å; D721-R927 PolarHBondContact N-O 3.36Å; D721-K929 HydrophobicContact CB-CG 4.02Å
722D80.5Confident82.6Confident58 Ų5840.6 Ų40.631%0.3124%0.235SC..  trans-84.1-11.5-178.130.3-12.5000112.7G724 N725 I728 V729 K732 K929D722-G724 PolarHBondContact O-N 3.2Å; D722-N725 PolarHBondContact O-N 3.24Å; D722-I728 HydrophobicContact CB-CG2 4.21Å; D722-V729 HydrophobicContact CB-CG2 4.03Å; D722-K732 IonicContact OD1-NZ 3.11Å; D722-K732 IonicContact OD2-NZ 2.92Å; D722-K732 PolarHBondContact OD2-NZ 2.97Å; D722-K929 IonicContact OD1-NZ 3.21Å; D722-K929 PolarHBondContact OD1-NZ 3.45Å
723S75.4Confident83Confident78 Ų7840.4 Ų40.455%0.54524%0.236SC..THydrogen-bonded Turntrans-66.896.5178.6-47.60000111.1D721D721-S723 VanDerWaalsContact C-N 3.33Å; D721-S723 PolarHBondContact OD1-N 3.14Å; D721-S723 PolarHBondContact OD1-OG 2.97Å; D721-S723 VanDerWaalsContact OD2-CB 3.32Å; D721-S723 WeakPolarHBondContact OD2-CB 3.38Å; D721-S723 PolarHBondContact OD2-OG 2.91Å
724G71.4Confident83.3Confident49 Ų4940.3 Ų40.351%0.50524%0.236SC..THydrogen-bonded Turntrans8427-179.400000114.4D722 S925D722-G724 PolarHBondContact O-N 3.2Å; G724-S925 PolarHBondContact O-N 3.32Å; G724-S925 PolarHBondContact O-OG 2.87Å
725N82.8Confident83.9Confident0 Ų037.6 Ų37.60%022%0.221CC..  trans-129.390.6170.5-166.8-35.6000111.3D722 I727 I728 V729 S925D722-N725 PolarHBondContact O-N 3.24Å; N725-I727 PolarHBondContact O-N 3.47Å; N725-I727 WeakPolarHBondContact OD1-CB 3.3Å; N725-I727 PolarHBondContact OD1-N 3.41Å; N725-I728 HydrophobicContact CB-CB 4.24Å; N725-I728 HydrophobicContact CB-CG1 4.15Å; N725-I728 PolarHBondContact O-N 3.3Å; N725-I728 VanDerWaalsContact O-N 3.12Å; N725-I728 PolarHBondContact OD1-N 3.27Å; N725-V729 WeakPolarHBondContact O-CG2 3.48Å; N725-V729 PolarHBondContact O-N 3.21Å; N725-V729 VanDerWaalsContact O-N 3.09Å; N725-S925 WeakPolarHBondContact CB-O 3.36Å; N725-S925 PolarHBondContact ND2-O 3.02Å
726D80.9Confident84.5Confident85 Ų8540.2 Ų40.246%0.45523%0.226SC..Hα-helixtrans-63.6-25.9-177.7-67.9-22.7000113.1V729 L730 L774 V924D726-V729 PolarHBondContact O-N 3.05Å; D726-L730 VanDerWaalsContact O-CB 3.23Å; D726-L730 WeakPolarHBondContact O-CB 3.31Å; D726-L730 WeakPolarHBondContact O-CD1 3.31Å; D726-L730 WeakPolarHBondContact O-CG 3.43Å; D726-L730 PolarHBondContact O-N 3.44Å; D726-L774 HydrophobicContact CB-CD1 3.55Å; D726-V924 HydrophobicContact CB-CG1 4.31Å
727I85.1Confident84.7Confident0 Ų040 Ų400%023%0.225CC..Hα-helixtrans-66.3-42.6174.7-71.4175.7000110.8N725 A731 L774 I778 V900 V924 W926N725-I727 PolarHBondContact O-N 3.47Å; N725-I727 WeakPolarHBondContact OD1-CB 3.3Å; N725-I727 PolarHBondContact OD1-N 3.41Å; I727-A731 VanDerWaalsContact O-CB 3.27Å; I727-A731 WeakPolarHBondContact O-CB 3.08Å; I727-A731 PolarHBondContact O-N 2.95Å; I727-L774 HydrophobicContact CD1-CB 4.09Å; I727-L774 HydrophobicContact CG1-CB 3.89Å; I727-L774 HydrophobicContact CG1-CD1 4.02Å; I727-I778 HydrophobicContact CD1-CD1 3.34Å; I727-V900 HydrophobicContact CG2-CG2 4.04Å; I727-V924 HydrophobicContact CD1-CG1 4.38Å; I727-V924 HydrophobicContact CD1-CG2 4.23Å; I727-V924 HydrophobicContact CG1-CG1 4.13Å; I727-W926 HydrophobicContact CG2-CH2 4.45Å
728I86.8Confident85.2Confident0 Ų039.7 Ų39.70%022%0.223CC..Hα-helixtrans-68.9-39.7177.1-62.9-63.8000111V717 W720 D722 N725 A731 K732 V900 W926V717-I728 HydrophobicContact CB-CG2 4.48Å; V717-I728 HydrophobicContact CG1-CD1 4.47Å; W720-I728 HydrophobicContact CB-CD1 3.86Å; W720-I728 HydrophobicContact CB-CG1 3.91Å; W720-I728 HydrophobicContact CB-CG2 4.49Å; W720-I728 HydrophobicContact CG-CD1 3.96Å; W720-I728 HydrophobicContact CG-CG1 4.41Å; D722-I728 HydrophobicContact CB-CG2 4.21Å; N725-I728 HydrophobicContact CB-CB 4.24Å; N725-I728 HydrophobicContact CB-CG1 4.15Å; N725-I728 PolarHBondContact O-N 3.3Å; N725-I728 VanDerWaalsContact O-N 3.12Å; N725-I728 PolarHBondContact OD1-N 3.27Å; I728-A731 PolarHBondContact O-N 3.48Å; I728-K732 HydrophobicContact CG2-CD 4.39Å; I728-K732 WeakPolarHBondContact O-CG 3.43Å; I728-K732 PolarHBondContact O-N 3.42Å; I728-V900 HydrophobicContact CD1-CG1 3.57Å; I728-W926 HydrophobicContact CD1-CH2 4.32Å; I728-W926 HydrophobicContact CD1-CZ3 3.91Å; I728-W926 HydrophobicContact CG1-CZ3 4.21Å
729V88.1Confident85.7Confident62 Ų6239.5 Ų39.538%0.37622%0.217SC..Hα-helixtrans-62.8-47.6175.4175.70000110.7D722 N725 D726 A731 K732 Q733D722-V729 HydrophobicContact CB-CG2 4.03Å; N725-V729 WeakPolarHBondContact O-CG2 3.48Å; N725-V729 PolarHBondContact O-N 3.21Å; N725-V729 VanDerWaalsContact O-N 3.09Å; D726-V729 PolarHBondContact O-N 3.05Å; V729-A731 PolarHBondContact O-N 3.31Å; V729-K732 PolarHBondContact O-N 3Å; V729-Q733 WeakPolarHBondContact O-CB 3.33Å; V729-Q733 PolarHBondContact O-N 3.22Å
730L88.4Confident86.2Confident13 Ų1336.8 Ų36.87%0.06821%0.205CC..Hα-helixtrans-64-39.5177.1-71.5167.2000111.9D726 Q733 M734 A767 K770 M771 L774D726-L730 VanDerWaalsContact O-CB 3.23Å; D726-L730 WeakPolarHBondContact O-CB 3.31Å; D726-L730 WeakPolarHBondContact O-CD1 3.31Å; D726-L730 WeakPolarHBondContact O-CG 3.43Å; D726-L730 PolarHBondContact O-N 3.44Å; L730-Q733 PolarHBondContact O-N 3.23Å; L730-M734 WeakPolarHBondContact O-CB 3.31Å; L730-M734 VanDerWaalsContact O-CG 3.25Å; L730-M734 WeakPolarHBondContact O-CG 2.96Å; L730-M734 PolarHBondContact O-N 3.13Å; L730-A767 HydrophobicContact CD2-CB 3.99Å; L730-K770 HydrophobicContact CD1-CB 3.81Å; L730-K770 HydrophobicContact CD2-CB 4.14Å; L730-K770 HydrophobicContact CD2-CD 4.33Å; L730-M771 HydrophobicContact CB-CE 3.68Å; L730-M771 HydrophobicContact CD1-CB 4.19Å; L730-L774 HydrophobicContact CD1-CD1 3.79Å
731A89.5Confident86.5Confident0 Ų036.1 Ų36.10%020%0.203CC..Hα-helixtrans-63.3-43.2176.500000111.9V717 I727 I728 V729 C735 M771 V896 V900V717-A731 HydrophobicContact CG1-CB 4.26Å; I727-A731 VanDerWaalsContact O-CB 3.27Å; I727-A731 WeakPolarHBondContact O-CB 3.08Å; I727-A731 PolarHBondContact O-N 2.95Å; I728-A731 PolarHBondContact O-N 3.48Å; V729-A731 PolarHBondContact O-N 3.31Å; A731-C735 VanDerWaalsContact O-CB 3.23Å; A731-C735 WeakPolarHBondContact O-CB 3.45Å; A731-C735 PolarHBondContact O-N 3.49Å; A731-M771 HydrophobicContact CB-CE 3.92Å; A731-V896 HydrophobicContact CB-CG1 3.74Å; A731-V900 HydrophobicContact CB-CG2 3.75Å
732K89.2Confident86.9Confident58 Ų5834.3 Ų34.325%0.25219%0.193SC..Hα-helixtrans-64.9-40.8173.9-71.6176.9-173.4177.70111.9V717 D722 I728 V729 C735 M736V717-K732 HydrophobicContact CB-CG 4.47Å; V717-K732 HydrophobicContact CG2-CG 4.22Å; D722-K732 IonicContact OD1-NZ 3.11Å; D722-K732 IonicContact OD2-NZ 2.92Å; D722-K732 PolarHBondContact OD2-NZ 2.97Å; I728-K732 HydrophobicContact CG2-CD 4.39Å; I728-K732 WeakPolarHBondContact O-CG 3.43Å; I728-K732 PolarHBondContact O-N 3.42Å; V729-K732 PolarHBondContact O-N 3Å; K732-C735 PolarHBondContact O-N 3.03Å; K732-M736 WeakPolarHBondContact O-CB 3.46Å; K732-M736 PolarHBondContact O-N 3.24Å
733Q90.4Very high87.2Confident84 Ų8433.6 Ų33.639%0.39319%0.189SC..Hα-helixtrans-63.6-49.6177.2-176.7-178.2-2.300111.5V729 L730 C735 M736 I737V729-Q733 WeakPolarHBondContact O-CB 3.33Å; V729-Q733 PolarHBondContact O-N 3.22Å; L730-Q733 PolarHBondContact O-N 3.23Å; Q733-C735 VanDerWaalsContact C-N 3.32Å; Q733-C735 PolarHBondContact O-N 2.99Å; Q733-M736 PolarHBondContact O-N 3.11Å; Q733-I737 HydrophobicContact CG-CD1 3.94Å; Q733-I737 VanDerWaalsContact O-CG1 3.3Å; Q733-I737 WeakPolarHBondContact O-CG1 3.45Å; Q733-I737 PolarHBondContact O-N 2.74Å
734M91.8Very high87.8Confident0 Ų030.7 Ų30.70%017%0.167CC..Hα-helixtrans-61.7-40.8176.7-69.8174.174.400111.1L730 M736 I737 M738 I764 A767 M771 I798 L892 V896L730-M734 WeakPolarHBondContact O-CB 3.31Å; L730-M734 VanDerWaalsContact O-CG 3.25Å; L730-M734 WeakPolarHBondContact O-CG 2.96Å; L730-M734 PolarHBondContact O-N 3.13Å; M734-M736 PolarHBondContact O-N 3.11Å; M734-I737 PolarHBondContact O-N 3.35Å; M734-M738 HydrophobicContact CB-CE 4.08Å; M734-M738 WeakPolarHBondContact O-CB 3.28Å; M734-M738 WeakPolarHBondContact O-CE 3.46Å; M734-M738 VanDerWaalsContact O-CG 3.31Å; M734-M738 WeakPolarHBondContact O-CG 3.39Å; M734-M738 PolarHBondContact O-N 3.39Å; M734-I764 HydrophobicContact CE-CG2 4.08Å; M734-A767 HydrophobicContact CG-CB 3.54Å; M734-A767 HydrophobicContact SD-CB 4.07Å; M734-M771 HydrophobicContact SD-CE 3.71Å; M734-M771 HydrophobicContact SD-SD 4.31Å; M734-I798 HydrophobicContact CE-CG2 4.35Å; M734-L892 HydrophobicContact CE-CD1 4.08Å; M734-L892 HydrophobicContact CE-CD2 4.21Å; M734-L892 HydrophobicContact CE-CG 4.34Å; M734-V896 HydrophobicContact CE-CG2 3.78Å; M734-V896 HydrophobicContact SD-CG2 4.25Å
735C91.8Very high88.3Confident8 Ų828.5 Ų28.55%0.05414%0.144CC..Hα-helixtrans-59.4-45.6174.4-176.40000112.4L713 A731 K732 Q733 M739 M893L713-C735 HydrophobicContact CD2-CB 3.7Å; A731-C735 VanDerWaalsContact O-CB 3.23Å; A731-C735 WeakPolarHBondContact O-CB 3.45Å; A731-C735 PolarHBondContact O-N 3.49Å; K732-C735 PolarHBondContact O-N 3.03Å; Q733-C735 VanDerWaalsContact C-N 3.32Å; Q733-C735 PolarHBondContact O-N 2.99Å; C735-M739 WeakPolarHBondContact O-CG 3.33Å; C735-M739 PolarHBondContact O-N 3.26Å; C735-M893 HydrophobicContact CB-CE 4.33Å; C735-M893 HydrophobicContact CB-SD 4.3Å
736M92.8Very high88.3Confident110 Ų11033.4 Ų33.454%0.54216%0.162SC..Hα-helixtrans-61.9-48.5179.4-176.1174177.300111K732 Q733 M734 M738 M739 E740K732-M736 WeakPolarHBondContact O-CB 3.46Å; K732-M736 PolarHBondContact O-N 3.24Å; Q733-M736 PolarHBondContact O-N 3.11Å; M734-M736 PolarHBondContact O-N 3.11Å; M736-M738 PolarHBondContact O-N 3.17Å; M736-M739 WeakPolarHBondContact O-CB 3.36Å; M736-M739 PolarHBondContact O-N 2.96Å; M736-E740 WeakPolarHBondContact CE-OE1 3.45Å; M736-E740 WeakPolarHBondContact O-CG 3.49Å; M736-E740 PolarHBondContact O-N 3.35Å
737I90.3Very high88.2Confident13 Ų1330 Ų307%0.06715%0.147CC..Hα-helixtrans-67.7-38.9-178.5-55.6162.3000111Q733 M734 M739 E740 M741 A760 K763 I764Q733-I737 HydrophobicContact CG-CD1 3.94Å; Q733-I737 VanDerWaalsContact O-CG1 3.3Å; Q733-I737 WeakPolarHBondContact O-CG1 3.45Å; Q733-I737 PolarHBondContact O-N 2.74Å; M734-I737 PolarHBondContact O-N 3.35Å; I737-M739 VanDerWaalsContact C-N 3.32Å; I737-M739 PolarHBondContact O-N 3.1Å; I737-E740 PolarHBondContact O-N 2.74Å; I737-M741 HydrophobicContact CG2-SD 4.32Å; I737-M741 WeakPolarHBondContact O-CG 3.4Å; I737-M741 PolarHBondContact O-N 3.47Å; I737-A760 HydrophobicContact CG2-CB 3.63Å; I737-K763 HydrophobicContact CD1-CB 3.95Å; I737-I764 HydrophobicContact CB-CD1 3.95Å; I737-I764 HydrophobicContact CB-CG1 3.75Å; I737-I764 HydrophobicContact CD1-CG1 4.29Å; I737-I764 HydrophobicContact CG2-CD1 3.65Å; I737-I764 HydrophobicContact CG2-CG1 3.6Å
738M92.3Very high88Confident0 Ų035.8 Ų35.80%017%0.172CC..Hα-helixtrans-61.9-39.6174-76.6-173.8-77.700111.8F706 M734 M736 M741 T742 I764 A889 L892 M893F706-M738 HydrophobicContact CE2-CB 4.21Å; F706-M738 HydrophobicContact CZ-CB 4.03Å; M734-M738 HydrophobicContact CB-CE 4.08Å; M734-M738 WeakPolarHBondContact O-CB 3.28Å; M734-M738 WeakPolarHBondContact O-CE 3.46Å; M734-M738 VanDerWaalsContact O-CG 3.31Å; M734-M738 WeakPolarHBondContact O-CG 3.39Å; M734-M738 PolarHBondContact O-N 3.39Å; M736-M738 PolarHBondContact O-N 3.17Å; M738-M741 PolarHBondContact O-N 2.78Å; M738-T742 WeakPolarHBondContact O-CG2 3.31Å; M738-T742 PolarHBondContact O-N 3.04Å; M738-T742 PolarHBondContact O-OG1 2.64Å; M738-I764 HydrophobicContact CB-CD1 4.49Å; M738-I764 HydrophobicContact CG-CD1 3.61Å; M738-A889 HydrophobicContact CB-CB 4.45Å; M738-A889 HydrophobicContact CG-CB 4.33Å; M738-A889 HydrophobicContact SD-CB 4.36Å; M738-A889 VanDerWaalsContact SD-O 3.36Å; M738-L892 HydrophobicContact CE-CD2 4.49Å; M738-L892 HydrophobicContact CE-CG 4.26Å; M738-L892 HydrophobicContact SD-CB 3.83Å; M738-L892 HydrophobicContact SD-CD2 3.72Å; M738-L892 HydrophobicContact SD-CG 3.74Å; M738-M893 HydrophobicContact CB-CE 4.08Å; M738-M893 HydrophobicContact CE-CB 4.43Å; M738-M893 HydrophobicContact CE-CE 3.65Å; M738-M893 HydrophobicContact CE-SD 3.85Å; M738-M893 HydrophobicContact SD-CE 4.17Å
739M91.6Very high87.8Confident53 Ų5337 Ų3726%0.26119%0.185SC..Hα-helixtrans-62.1-45.4173-75-161.9-4600111.9F706 K710 C735 M736 I737 M741 T742 D743F706-M739 HydrophobicContact CE1-CG 4.17Å; F706-M739 HydrophobicContact CZ-CG 4.41Å; K710-M739 HydrophobicContact CD-SD 4.32Å; K710-M739 VanDerWaalsContact CE-SD 3.55Å; K710-M739 HydrophobicContact CG-SD 4.38Å; C735-M739 WeakPolarHBondContact O-CG 3.33Å; C735-M739 PolarHBondContact O-N 3.26Å; M736-M739 WeakPolarHBondContact O-CB 3.36Å; M736-M739 PolarHBondContact O-N 2.96Å; I737-M739 VanDerWaalsContact C-N 3.32Å; I737-M739 PolarHBondContact O-N 3.1Å; M739-M741 PolarHBondContact O-N 3.2Å; M739-T742 WeakPolarHBondContact CA-OG1 3.43Å; M739-T742 CarbonylContact O-C 3.32Å; M739-T742 PolarHBondContact O-N 3.48Å; M739-T742 VanDerWaalsContact O-N 3.15Å; M739-T742 PolarHBondContact O-OG1 3.26Å; M739-D743 WeakPolarHBondContact O-CB 3.4Å; M739-D743 PolarHBondContact O-N 2.94Å
740E90.8Very high87.6Confident47 Ų4737.5 Ų37.522%0.2219%0.189CC..Hα-helixtrans-59.2-36.5177.8-67.9176.6176.100112M736 I737 F744 P750 L751M736-E740 WeakPolarHBondContact CE-OE1 3.45Å; M736-E740 WeakPolarHBondContact O-CG 3.49Å; M736-E740 PolarHBondContact O-N 3.35Å; I737-E740 PolarHBondContact O-N 2.74Å; E740-F744 WeakPolarHBondContact O-CB 3.47Å; E740-F744 PolarHBondContact O-N 3.5Å; E740-P750 HydrophobicContact CB-CG 4Å; E740-P750 HydrophobicContact CG-CG 3.52Å; E740-L751 HydrophobicContact CB-CD1 4.23Å; E740-L751 HydrophobicContact CB-CG 4.22Å
741M88.2Confident87.5Confident1 Ų137.6 Ų37.61%0.00519%0.19CC..Hα-helixtrans-71-39.6174.9-67.917670.300112.7I737 M738 M739 F744 T745 L751 V757 A760 A761 I764 L805 L885I737-M741 HydrophobicContact CG2-SD 4.32Å; I737-M741 WeakPolarHBondContact O-CG 3.4Å; I737-M741 PolarHBondContact O-N 3.47Å; M738-M741 PolarHBondContact O-N 2.78Å; M739-M741 PolarHBondContact O-N 3.2Å; M741-F744 WeakPolarHBondContact O-CB 3.48Å; M741-F744 PolarHBondContact O-N 2.98Å; M741-T745 PolarHBondContact O-N 3.22Å; M741-L751 HydrophobicContact CB-CD1 4.48Å; M741-L751 HydrophobicContact CG-CD1 3.83Å; M741-V757 HydrophobicContact CE-CG1 3.98Å; M741-A760 HydrophobicContact CG-CB 3.74Å; M741-A760 HydrophobicContact SD-CB 3.72Å; M741-A761 HydrophobicContact CE-CB 3.9Å; M741-I764 HydrophobicContact SD-CD1 3.47Å; M741-I764 WeakPolarHBondContact SD-CD1 3.42Å; M741-L805 HydrophobicContact CE-CD1 4.11Å; M741-L805 HydrophobicContact CE-CD2 4.07Å; M741-L805 HydrophobicContact CE-CG 3.89Å; M741-L805 HydrophobicContact SD-CD2 4.16Å; M741-L885 HydrophobicContact CB-CD2 4.34Å; M741-L885 HydrophobicContact CE-CD1 3.62Å; M741-L885 HydrophobicContact CE-CD2 4.18Å; M741-L885 HydrophobicContact CE-CG 4.11Å
742T86.4Confident87Confident1 Ų143.2 Ų43.21%0.00621%0.214CC..Hα-helixtrans-74.8-23.2174.258.20000113.7F706 M738 M739 T745 R746 I886 A889F706-T742 HydrophobicContact CD1-CG2 4.01Å; F706-T742 HydrophobicContact CD2-CG2 4.18Å; F706-T742 HydrophobicContact CE1-CG2 3.95Å; F706-T742 HydrophobicContact CE2-CG2 4.14Å; F706-T742 HydrophobicContact CG-CG2 4.13Å; F706-T742 HydrophobicContact CZ-CG2 4.01Å; M738-T742 WeakPolarHBondContact O-CG2 3.31Å; M738-T742 PolarHBondContact O-N 3.04Å; M738-T742 PolarHBondContact O-OG1 2.64Å; M739-T742 WeakPolarHBondContact CA-OG1 3.43Å; M739-T742 CarbonylContact O-C 3.32Å; M739-T742 PolarHBondContact O-N 3.48Å; M739-T742 VanDerWaalsContact O-N 3.15Å; M739-T742 PolarHBondContact O-OG1 3.26Å; T742-T745 PolarHBondContact O-OG1 2.95Å; T742-R746 WeakPolarHBondContact O-CG 3.43Å; T742-I886 HydrophobicContact CG2-CG1 4.2Å; T742-I886 HydrophobicContact CG2-CG2 4.41Å; T742-A889 HydrophobicContact CG2-CB 4.23Å
743D87.6Confident86.5Confident43 Ų4344 Ų4423%0.2322%0.221CC..Hα-helixtrans-79-32.9173.1-81.5-26.5000111M739 T745 R746 G747 K748M739-D743 WeakPolarHBondContact O-CB 3.4Å; M739-D743 PolarHBondContact O-N 2.94Å; D743-T745 VanDerWaalsContact C-N 3.27Å; D743-T745 PolarHBondContact O-N 3.01Å; D743-R746 WeakPolarHBondContact O-CB 3.49Å; D743-R746 PolarHBondContact O-N 3.3Å; D743-R746 IonicContact OD1-NH1 2.99Å; D743-R746 PolarHBondContact OD1-NH1 3.23Å; D743-G747 PolarHBondContact O-N 3.33Å; D743-K748 CarbonylContact C-O 3.09Å; D743-K748 CarbonylContact O-C 3.52Å; D743-K748 VanDerWaalsContact O-C 3.32Å; D743-K748 WeakPolarHBondContact O-CA 3.41Å; D743-K748 PolarHBondContact O-N 3.5Å
744F87.9Confident85.7Confident18 Ų1841.4 Ų41.48%0.07921%0.211CC..Hα-helixtrans-56-42.4171.3174-94.1000111.6A684 R685 M688 E740 M741 R746 G747 K748 L751 V757A684-F744 HydrophobicContact CB-CE2 4.3Å; A684-F744 HydrophobicContact CB-CZ 3.94Å; R685-F744 HydrophobicContact CB-CD2 3.98Å; R685-F744 HydrophobicContact CB-CE2 3.88Å; R685-F744 HydrophobicContact CG-CD2 4.38Å; M688-F744 WeakPolarHBondContact CB-O 3.34Å; M688-F744 HydrophobicContact CG-CE1 4.23Å; M688-F744 HydrophobicContact CG-CZ 4.43Å; E740-F744 WeakPolarHBondContact O-CB 3.47Å; E740-F744 PolarHBondContact O-N 3.5Å; M741-F744 WeakPolarHBondContact O-CB 3.48Å; M741-F744 PolarHBondContact O-N 2.98Å; F744-R746 PolarHBondContact O-N 3.45Å; F744-G747 PolarHBondContact O-N 3Å; F744-K748 WeakPolarHBondContact CA-O 3.4Å; F744-K748 PolarHBondContact N-O 3.3Å; F744-L751 HydrophobicContact CB-CB 4.23Å; F744-L751 HydrophobicContact CB-CD1 4.25Å; F744-L751 HydrophobicContact CD2-CB 3.86Å; F744-L751 WeakPolarHBondContact CD2-O 3.25Å; F744-L751 HydrophobicContact CG-CB 4.34Å; F744-V757 HydrophobicContact CD1-CG2 3.62Å; F744-V757 HydrophobicContact CD2-CG2 3.91Å; F744-V757 HydrophobicContact CE1-CG2 3.6Å; F744-V757 HydrophobicContact CE2-CG2 3.88Å; F744-V757 HydrophobicContact CG-CG2 3.78Å; F744-V757 HydrophobicContact CZ-CG2 3.72Å
745T82.6Confident84.9Confident2 Ų244.4 Ų44.41%0.01223%0.232CC..THydrogen-bonded Turntrans-67-19.4177.560.50000113.4M688 I699 M741 T742 D743 G747 A882 L885 I886M688-T745 HydrophobicContact CE-CG2 4.38Å; M688-T745 WeakPolarHBondContact CE-O 3.44Å; I699-T745 WeakPolarHBondContact CD1-O 3.36Å; M741-T745 PolarHBondContact O-N 3.22Å; T742-T745 PolarHBondContact O-OG1 2.95Å; D743-T745 VanDerWaalsContact C-N 3.27Å; D743-T745 PolarHBondContact O-N 3.01Å; T745-G747 VanDerWaalsContact C-N 3.3Å; T745-A882 HydrophobicContact CG2-CB 3.48Å; T745-A882 VanDerWaalsContact CG2-CB 3.48Å; T745-L885 HydrophobicContact CG2-CD2 4.04Å; T745-I886 HydrophobicContact CG2-CD1 4.36Å; T745-I886 HydrophobicContact CG2-CG1 4.28Å
746R81.3Confident84.4Confident104 Ų10446.2 Ų46.239%0.39224%0.241SC..THydrogen-bonded Turntrans-89.13.5173-60.1168.471.1-161.87.2113I699 V703 T742 D743 F744 K748I699-R746 HydrophobicContact CG2-CG 3.99Å; V703-R746 HydrophobicContact CG2-CG 4.26Å; T742-R746 WeakPolarHBondContact O-CG 3.43Å; D743-R746 WeakPolarHBondContact O-CB 3.49Å; D743-R746 PolarHBondContact O-N 3.3Å; D743-R746 IonicContact OD1-NH1 2.99Å; D743-R746 PolarHBondContact OD1-NH1 3.23Å; F744-R746 PolarHBondContact O-N 3.45Å; R746-K748 PolarHBondContact O-N 3.41Å
747G80.5Confident83.7Confident12 Ų1241.2 Ų41.212%0.12422%0.217CC..THydrogen-bonded Turntrans69.320.6-172.200000114.1R685 D743 F744 T745R685-G747 WeakPolarHBondContact O-CA 3.29Å; D743-G747 PolarHBondContact O-N 3.33Å; F744-G747 PolarHBondContact O-N 3Å; T745-G747 VanDerWaalsContact C-N 3.3Å
748K80.4Confident83.1Confident122 Ų12242.3 Ų42.353%0.5322%0.222SC..  trans-122.8-175.7-179.8-62.9-178.7-176.1179.30109.3R685 D743 F744 R746R685-K748 WeakPolarHBondContact CD-O 3.48Å; D743-K748 CarbonylContact C-O 3.09Å; D743-K748 CarbonylContact O-C 3.52Å; D743-K748 VanDerWaalsContact O-C 3.32Å; D743-K748 WeakPolarHBondContact O-CA 3.41Å; D743-K748 PolarHBondContact O-N 3.5Å; F744-K748 WeakPolarHBondContact CA-O 3.4Å; F744-K748 PolarHBondContact N-O 3.3Å; R746-K748 PolarHBondContact O-N 3.41Å
749G82.7Confident82.5Confident26 Ų2647.8 Ų47.827%0.26825%0.246SC..SBendtrans80.7179.5176.600000115.2R685R685-G749 WeakPolarHBondContact CD-O 3.09Å; R685-G749 PolarHBondContact NH1-O 3.28Å
750P82.9Confident82.2Confident73 Ų7345.4 Ų45.447%0.47424%0.235SC..SBendtrans-85.3-20.7-166.831.5-34.2000114.9E740E740-P750 HydrophobicContact CB-CG 4Å; E740-P750 HydrophobicContact CG-CG 3.52Å
751L86.1Confident81.7Confident15 Ų1543.2 Ų43.28%0.07923%0.225CC..  trans-73127.1179.8-51.6179.4000109.3R685 E740 M741 F744 D756 V757 A760R685-L751 VanDerWaalsContact CD-O 3.29Å; R685-L751 WeakPolarHBondContact CD-O 3.45Å; E740-L751 HydrophobicContact CB-CD1 4.23Å; E740-L751 HydrophobicContact CB-CG 4.22Å; M741-L751 HydrophobicContact CB-CD1 4.48Å; M741-L751 HydrophobicContact CG-CD1 3.83Å; F744-L751 HydrophobicContact CB-CB 4.23Å; F744-L751 HydrophobicContact CB-CD1 4.25Å; F744-L751 HydrophobicContact CD2-CB 3.86Å; F744-L751 WeakPolarHBondContact CD2-O 3.25Å; F744-L751 HydrophobicContact CG-CB 4.34Å; L751-D756 HydrophobicContact CB-CB 4.07Å; L751-D756 HydrophobicContact CD2-CB 3.98Å; L751-V757 HydrophobicContact CB-CG2 4.48Å; L751-V757 HydrophobicContact CD1-CG2 4.18Å; L751-A760 HydrophobicContact CD1-CB 4.06Å; L751-A760 HydrophobicContact CD2-CB 4.31Å
752K79.4Confident81.2Confident117 Ų11748.1 Ų48.151%0.50925%0.247SC..  trans-101.1-40.8-174.6-65.5-176-178.2179.40111.8S683 A684 R685 D756S683-K752 WeakPolarHBondContact CB-O 3.17Å; A684-K752 PolarHBondContact N-O 2.93Å; R685-K752 WeakPolarHBondContact CB-O 3.24Å; R685-K752 PolarHBondContact N-O 3.01Å; K752-D756 PolarHBondContact N-OD2 3.36Å
753N79.9Confident81.1Confident75 Ų7553.8 Ų53.840%0.40127%0.271SS..SBendtrans-128.5162.9-172.7-60.5-41.9000111.9S683 A684 S755 D756 V757S683-N753 WeakPolarHBondContact CA-OD1 3.48Å; S683-N753 WeakPolarHBondContact CB-OD1 3.48Å; A684-N753 PolarHBondContact N-OD1 2.92Å; N753-S755 PolarHBondContact O-N 3.07Å; N753-S755 VanDerWaalsContact O-N 3.15Å; N753-D756 PolarHBondContact N-OD2 3.06Å; N753-D756 WeakPolarHBondContact O-CA 3.38Å; N753-D756 VanDerWaalsContact O-CB 3.3Å; N753-D756 WeakPolarHBondContact O-CB 3.39Å; N753-D756 PolarHBondContact O-N 3.45Å; N753-V757 PolarHBondContact O-N 3.44Å
754T72.8Confident81.1Confident30 Ų3051.8 Ų51.818%0.18426%0.26CS..Hα-helixtrans-55.6-32.8176.5-45.70000112.5D756 V757 I758T754-D756 VanDerWaalsContact C-N 3.26Å; T754-D756 PolarHBondContact O-N 3.41Å; T754-V757 WeakPolarHBondContact O-CB 3.04Å; T754-V757 PolarHBondContact O-N 2.93Å; T754-V757 VanDerWaalsContact O-N 3.12Å; T754-I758 HydrophobicContact CG2-CD1 4.27Å; T754-I758 WeakPolarHBondContact O-CG1 3.43Å; T754-I758 PolarHBondContact O-N 3.48Å
755S73.8Confident80.6Confident62 Ų6251.9 Ų51.943%0.43427%0.265SS..Hα-helixtrans-58.3-36.6172.1-172.20000112.8N753 K759N753-S755 PolarHBondContact O-N 3.07Å; N753-S755 VanDerWaalsContact O-N 3.15Å; S755-K759 WeakPolarHBondContact O-CB 3.37Å; S755-K759 VanDerWaalsContact O-CG 3.22Å; S755-K759 WeakPolarHBondContact O-CG 3.13Å; S755-K759 PolarHBondContact O-N 2.91Å
756D81.3Confident80.5Confident47 Ų4757.3 Ų57.325%0.25129%0.29SS..Hα-helixtrans-71.4-36.1176.6-56.5-36.3000111.1L751 K752 N753 T754 K759 A760L751-D756 HydrophobicContact CB-CB 4.07Å; L751-D756 HydrophobicContact CD2-CB 3.98Å; K752-D756 PolarHBondContact N-OD2 3.36Å; N753-D756 PolarHBondContact N-OD2 3.06Å; N753-D756 WeakPolarHBondContact O-CA 3.38Å; N753-D756 VanDerWaalsContact O-CB 3.3Å; N753-D756 WeakPolarHBondContact O-CB 3.39Å; N753-D756 PolarHBondContact O-N 3.45Å; T754-D756 VanDerWaalsContact C-N 3.26Å; T754-D756 PolarHBondContact O-N 3.41Å; D756-K759 PolarHBondContact O-N 3.16Å; D756-A760 VanDerWaalsContact O-CB 3.3Å; D756-A760 WeakPolarHBondContact O-CB 3.47Å; D756-A760 PolarHBondContact O-N 3.19Å
757V80.1Confident80.6Confident5 Ų552.5 Ų52.53%0.0327%0.272CS..Hα-helixtrans-67.1-42.9175.9-175.20000111.2M741 F744 L751 N753 T754 K759 A760 A761 L885M741-V757 HydrophobicContact CE-CG1 3.98Å; F744-V757 HydrophobicContact CD1-CG2 3.62Å; F744-V757 HydrophobicContact CD2-CG2 3.91Å; F744-V757 HydrophobicContact CE1-CG2 3.6Å; F744-V757 HydrophobicContact CE2-CG2 3.88Å; F744-V757 HydrophobicContact CG-CG2 3.78Å; F744-V757 HydrophobicContact CZ-CG2 3.72Å; L751-V757 HydrophobicContact CB-CG2 4.48Å; L751-V757 HydrophobicContact CD1-CG2 4.18Å; N753-V757 PolarHBondContact O-N 3.44Å; T754-V757 WeakPolarHBondContact O-CB 3.04Å; T754-V757 PolarHBondContact O-N 2.93Å; T754-V757 VanDerWaalsContact O-N 3.12Å; V757-K759 VanDerWaalsContact C-N 3.34Å; V757-K759 PolarHBondContact O-N 2.8Å; V757-A760 WeakPolarHBondContact O-CB 3.34Å; V757-A760 PolarHBondContact O-N 3.4Å; V757-A761 PolarHBondContact O-N 3.3Å; V757-L885 HydrophobicContact CG1-CD2 4.11Å
758I77.6Confident80.6Confident35 Ų3552.1 Ų52.118%0.17927%0.268CS..Hα-helixtrans-62.1-43.4173.8-65.5165.1000110.4T754 A760 A761 K762 S809T754-I758 HydrophobicContact CG2-CD1 4.27Å; T754-I758 WeakPolarHBondContact O-CG1 3.43Å; T754-I758 PolarHBondContact O-N 3.48Å; I758-A760 VanDerWaalsContact C-N 3.34Å; I758-A761 PolarHBondContact O-N 2.93Å; I758-K762 HydrophobicContact CG2-CD 4.4Å; I758-K762 WeakPolarHBondContact O-CB 3.36Å; I758-K762 WeakPolarHBondContact O-CG 3.37Å; I758-K762 PolarHBondContact O-N 3.1Å; I758-S809 WeakPolarHBondContact CG1-O 3.28Å
759K79.5Confident80.4Confident115 Ų11549.8 Ų49.850%0.526%0.264SS..Hα-helixtrans-64.4-39.3175.7-74.2169.6-172.6170.20111.5S755 D756 V757 K762 K763S755-K759 WeakPolarHBondContact O-CB 3.37Å; S755-K759 VanDerWaalsContact O-CG 3.22Å; S755-K759 WeakPolarHBondContact O-CG 3.13Å; S755-K759 PolarHBondContact O-N 2.91Å; D756-K759 PolarHBondContact O-N 3.16Å; V757-K759 VanDerWaalsContact C-N 3.34Å; V757-K759 PolarHBondContact O-N 2.8Å; K759-K762 PolarHBondContact O-N 3.48Å; K759-K763 WeakPolarHBondContact O-CB 3.23Å; K759-K763 WeakPolarHBondContact O-CG 3.31Å; K759-K763 PolarHBondContact O-N 3.13Å
760A84.4Confident80.1Confident4 Ų454.3 Ų54.33%0.03328%0.276CS..Hα-helixtrans-62.8-46.4175.400000111.5I737 M741 L751 D756 V757 I758 K762 K763 I764I737-A760 HydrophobicContact CG2-CB 3.63Å; M741-A760 HydrophobicContact CG-CB 3.74Å; M741-A760 HydrophobicContact SD-CB 3.72Å; L751-A760 HydrophobicContact CD1-CB 4.06Å; L751-A760 HydrophobicContact CD2-CB 4.31Å; D756-A760 VanDerWaalsContact O-CB 3.3Å; D756-A760 WeakPolarHBondContact O-CB 3.47Å; D756-A760 PolarHBondContact O-N 3.19Å; V757-A760 WeakPolarHBondContact O-CB 3.34Å; V757-A760 PolarHBondContact O-N 3.4Å; I758-A760 VanDerWaalsContact C-N 3.34Å; A760-K762 PolarHBondContact O-N 3.14Å; A760-K763 WeakPolarHBondContact O-CB 3.12Å; A760-K763 PolarHBondContact O-N 3.28Å; A760-I764 WeakPolarHBondContact O-CG1 3.36Å; A760-I764 PolarHBondContact O-N 3.32Å
761A80.1Confident80.2Confident1 Ų150.8 Ų50.81%0.00825%0.254CS..Hα-helixtrans-62.7-41.217600000112.6M741 V757 I758 I764 A765 S809M741-A761 HydrophobicContact CE-CB 3.9Å; V757-A761 PolarHBondContact O-N 3.3Å; I758-A761 PolarHBondContact O-N 2.93Å; A761-I764 PolarHBondContact O-N 3.24Å; A761-A765 WeakPolarHBondContact O-CB 3.39Å; A761-A765 PolarHBondContact O-N 2.99Å; A761-S809 VanDerWaalsContact CB-CB 3.49Å; A761-S809 WeakPolarHBondContact CB-OG 3.3Å
762K78.2Confident79.6Confident104 Ų10451.4 Ų51.445%0.45226%0.257SS..Hα-helixtrans-61.6-43.8172.7-74.6-179.3179.9-176.30112.1I758 K759 A760 I764 A765 E766I758-K762 HydrophobicContact CG2-CD 4.4Å; I758-K762 WeakPolarHBondContact O-CB 3.36Å; I758-K762 WeakPolarHBondContact O-CG 3.37Å; I758-K762 PolarHBondContact O-N 3.1Å; K759-K762 PolarHBondContact O-N 3.48Å; A760-K762 PolarHBondContact O-N 3.14Å; K762-I764 VanDerWaalsContact C-N 3.32Å; K762-I764 PolarHBondContact O-N 2.97Å; K762-A765 PolarHBondContact O-N 2.99Å; K762-E766 WeakPolarHBondContact O-CG 3.42Å; K762-E766 PolarHBondContact O-N 3.49Å
763K84.3Confident79.3Confident120 Ų12052.3 Ų52.352%0.52226%0.261SS..Hα-helixtrans-61.8-38.4175.4-75.8177.2178.6-178.80112.3I737 K759 A760 A767I737-K763 HydrophobicContact CD1-CB 3.95Å; K759-K763 WeakPolarHBondContact O-CB 3.23Å; K759-K763 WeakPolarHBondContact O-CG 3.31Å; K759-K763 PolarHBondContact O-N 3.13Å; A760-K763 WeakPolarHBondContact O-CB 3.12Å; A760-K763 PolarHBondContact O-N 3.28Å; K763-A767 WeakPolarHBondContact O-CB 3.36Å; K763-A767 PolarHBondContact O-N 2.97Å
764I88.4Confident79.2Confident0 Ų050.1 Ų50.10%025%0.249CC..Hα-helixtrans-65.6-44.8173.6-71.3170.1000110.7M734 I737 M738 M741 A760 A761 K762 E766 A767 G768 L805 L892M734-I764 HydrophobicContact CE-CG2 4.08Å; I737-I764 HydrophobicContact CB-CD1 3.95Å; I737-I764 HydrophobicContact CB-CG1 3.75Å; I737-I764 HydrophobicContact CD1-CG1 4.29Å; I737-I764 HydrophobicContact CG2-CD1 3.65Å; I737-I764 HydrophobicContact CG2-CG1 3.6Å; M738-I764 HydrophobicContact CB-CD1 4.49Å; M738-I764 HydrophobicContact CG-CD1 3.61Å; M741-I764 HydrophobicContact SD-CD1 3.47Å; M741-I764 WeakPolarHBondContact SD-CD1 3.42Å; A760-I764 WeakPolarHBondContact O-CG1 3.36Å; A760-I764 PolarHBondContact O-N 3.32Å; A761-I764 PolarHBondContact O-N 3.24Å; K762-I764 VanDerWaalsContact C-N 3.32Å; K762-I764 PolarHBondContact O-N 2.97Å; I764-E766 VanDerWaalsContact C-N 3.33Å; I764-E766 PolarHBondContact O-N 2.89Å; I764-A767 PolarHBondContact O-N 3.44Å; I764-G768 PolarHBondContact O-N 3.3Å; I764-L805 HydrophobicContact CB-CD2 4.41Å; I764-L805 HydrophobicContact CD1-CD2 3.52Å; I764-L805 HydrophobicContact CG2-CD2 4.04Å; I764-L892 HydrophobicContact CG2-CD2 3.45Å; I764-L892 VanDerWaalsContact CG2-CD2 3.45Å
765A75.9Confident79.5Confident21 Ų2148.7 Ų48.717%0.17424%0.24CC..Hα-helixtrans-62.2-40.117800000112A761 K762 G768 T769A761-A765 WeakPolarHBondContact O-CB 3.39Å; A761-A765 PolarHBondContact O-N 2.99Å; K762-A765 PolarHBondContact O-N 2.99Å; A765-G768 PolarHBondContact O-N 2.68Å; A765-T769 WeakPolarHBondContact O-CB 3.47Å; A765-T769 PolarHBondContact O-N 3.17Å; A765-T769 PolarHBondContact O-OG1 2.92Å
766E80.9Confident79.8Confident116 Ų11649.4 Ų49.454%0.54223%0.233SC..Hα-helixtrans-63.4-44.8173.2-73.8173-161.100112.1K762 I764 T769 K770K762-E766 WeakPolarHBondContact O-CG 3.42Å; K762-E766 PolarHBondContact O-N 3.49Å; I764-E766 VanDerWaalsContact C-N 3.33Å; I764-E766 PolarHBondContact O-N 2.89Å; E766-T769 PolarHBondContact O-N 3.38Å; E766-K770 WeakPolarHBondContact O-CG 3.47Å; E766-K770 PolarHBondContact O-N 2.98Å
767A83.3Confident79.5Confident3 Ų349.9 Ų49.93%0.02524%0.241CC..Hα-helixtrans-65.5-41.6176.800000112L730 M734 K763 I764 T769 K770 M771L730-A767 HydrophobicContact CD2-CB 3.99Å; M734-A767 HydrophobicContact CG-CB 3.54Å; M734-A767 HydrophobicContact SD-CB 4.07Å; K763-A767 WeakPolarHBondContact O-CB 3.36Å; K763-A767 PolarHBondContact O-N 2.97Å; I764-A767 PolarHBondContact O-N 3.44Å; A767-T769 VanDerWaalsContact C-N 3.34Å; A767-T769 PolarHBondContact O-N 3.48Å; A767-K770 PolarHBondContact O-N 3.25Å; A767-M771 WeakPolarHBondContact O-CB 3.44Å; A767-M771 PolarHBondContact O-N 3.03Å
768G81.6Confident79.3Confident3 Ų350.5 Ų50.53%0.03124%0.244CC..Hα-helixtrans-62.5-39.2174.300000112.2I764 A765 M771 D772I764-G768 PolarHBondContact O-N 3.3Å; A765-G768 PolarHBondContact O-N 2.68Å; G768-M771 PolarHBondContact O-N 3.1Å; G768-D772 WeakPolarHBondContact O-CB 3.27Å; G768-D772 PolarHBondContact O-N 2.7Å
769T75.3Confident79.2Confident74 Ų7448.8 Ų48.845%0.45424%0.235SC..Hα-helixtrans-66.6-37.8174.5-56.30000111.9A765 E766 A767 K773A765-T769 WeakPolarHBondContact O-CB 3.47Å; A765-T769 PolarHBondContact O-N 3.17Å; A765-T769 PolarHBondContact O-OG1 2.92Å; E766-T769 PolarHBondContact O-N 3.38Å; A767-T769 VanDerWaalsContact C-N 3.34Å; A767-T769 PolarHBondContact O-N 3.48Å; T769-K773 WeakPolarHBondContact O-CG 3.22Å; T769-K773 PolarHBondContact O-N 3.36Å; T769-K773 VanDerWaalsContact O-N 3.09Å
770K76.1Confident78.9Confident120 Ų12048.7 Ų48.752%0.52224%0.24SC..Hα-helixtrans-67-40.4173.2-70.8174.1-175.9176.40111.5L730 E766 A767 K773 L774L730-K770 HydrophobicContact CD1-CB 3.81Å; L730-K770 HydrophobicContact CD2-CB 4.14Å; L730-K770 HydrophobicContact CD2-CD 4.33Å; E766-K770 WeakPolarHBondContact O-CG 3.47Å; E766-K770 PolarHBondContact O-N 2.98Å; A767-K770 PolarHBondContact O-N 3.25Å; K770-K773 PolarHBondContact O-N 3.05Å; K770-L774 WeakPolarHBondContact O-CG 3.35Å; K770-L774 PolarHBondContact O-N 3.47Å; K770-L774 VanDerWaalsContact O-N 3.1Å
771M85.8Confident78.2Confident0 Ų053 Ų530%026%0.262CS..Hα-helixtrans-65.2-40176.2-172177.2-68.900111.6L730 A731 M734 A767 G768 L774 G775 I798 V896 T899L730-M771 HydrophobicContact CB-CE 3.68Å; L730-M771 HydrophobicContact CD1-CB 4.19Å; A731-M771 HydrophobicContact CB-CE 3.92Å; M734-M771 HydrophobicContact SD-CE 3.71Å; M734-M771 HydrophobicContact SD-SD 4.31Å; A767-M771 WeakPolarHBondContact O-CB 3.44Å; A767-M771 PolarHBondContact O-N 3.03Å; G768-M771 PolarHBondContact O-N 3.1Å; M771-L774 PolarHBondContact O-N 3.3Å; M771-G775 PolarHBondContact O-N 3Å; M771-I798 HydrophobicContact CG-CD1 4.47Å; M771-I798 HydrophobicContact SD-CD1 3.64Å; M771-V896 HydrophobicContact CE-CG1 4.16Å; M771-V896 HydrophobicContact SD-CG1 4.36Å; M771-V896 HydrophobicContact SD-CG2 4.49Å; M771-T899 HydrophobicContact CG-CG2 4.33Å; M771-T899 HydrophobicContact SD-CG2 4.13Å
772D72.7Confident77.9Confident28 Ų2853.4 Ų53.415%0.1526%0.264CS..Hα-helixtrans-60.3-45.5173.2176.890.7000111.8G768 L774 G775 R776G768-D772 WeakPolarHBondContact O-CB 3.27Å; G768-D772 PolarHBondContact O-N 2.7Å; D772-L774 PolarHBondContact O-N 3.49Å; D772-G775 PolarHBondContact O-N 3.24Å; D772-R776 WeakPolarHBondContact O-CB 3.4Å; D772-R776 VanDerWaalsContact O-CG 3.31Å; D772-R776 WeakPolarHBondContact O-CG 3.49Å; D772-R776 PolarHBondContact O-N 3.02Å; D772-R776 IonicContact OD1-CZ 2.91Å; D772-R776 IonicContact OD1-NE 3.26Å; D772-R776 PolarHBondContact OD1-NE 2.85Å; D772-R776 IonicContact OD1-NH2 2.95Å; D772-R776 PolarHBondContact OD1-NH2 2.88Å; D772-R776 WeakPolarHBondContact OD2-CD 3.33Å; D772-R776 IonicContact OD2-CZ 3.78Å; D772-R776 IonicContact OD2-NE 2.81Å; D772-R776 PolarHBondContact OD2-NE 3.36Å; D772-R776 IonicContact OD2-NH2 3.84Å
773K74.4Confident77.5Confident136 Ų13652.8 Ų52.859%0.59127%0.271SS*.Hα-helixtrans-59.7-44.6175.6-72.4173.6-178.7179.20112.6T769 K770 S777T769-K773 WeakPolarHBondContact O-CG 3.22Å; T769-K773 PolarHBondContact O-N 3.36Å; T769-K773 VanDerWaalsContact O-N 3.09Å; K770-K773 PolarHBondContact O-N 3.05Å; K773-S777 PolarHBondContact O-N 3.11Å; K773-S777 VanDerWaalsContact O-N 3.12Å; K773-S777 PolarHBondContact O-OG 3.29Å
774L77.7Confident77.3Confident29 Ų2949.7 Ų49.715%0.15226%0.26CS..Hα-helixtrans-67.9-45.2178-69.3171.1000111.6D726 I727 L730 K770 M771 D772 S777 I778 A923 V924D726-L774 HydrophobicContact CB-CD1 3.55Å; I727-L774 HydrophobicContact CD1-CB 4.09Å; I727-L774 HydrophobicContact CG1-CB 3.89Å; I727-L774 HydrophobicContact CG1-CD1 4.02Å; L730-L774 HydrophobicContact CD1-CD1 3.79Å; K770-L774 WeakPolarHBondContact O-CG 3.35Å; K770-L774 PolarHBondContact O-N 3.47Å; K770-L774 VanDerWaalsContact O-N 3.1Å; M771-L774 PolarHBondContact O-N 3.3Å; D772-L774 PolarHBondContact O-N 3.49Å; L774-S777 WeakPolarHBondContact O-CB 3.48Å; L774-S777 PolarHBondContact O-N 3.12Å; L774-I778 WeakPolarHBondContact O-CG1 3.4Å; L774-I778 PolarHBondContact O-N 3.47Å; L774-A923 HydrophobicContact CD2-CB 4.25Å; L774-V924 HydrophobicContact CD1-CG1 4.44Å; L774-V924 HydrophobicContact CD2-CG1 4.41Å
775G78.5Confident76.6Confident0 Ų053.6 Ų53.60%029%0.287CS..Hα-helixtrans-62.9-42.4179.100000112.6M771 D772 I778 A779M771-G775 PolarHBondContact O-N 3Å; D772-G775 PolarHBondContact O-N 3.24Å; G775-I778 PolarHBondContact O-N 3.09Å; G775-A779 WeakPolarHBondContact O-CB 3.19Å; G775-A779 PolarHBondContact O-N 3.33Å
776R79.1Confident76.7Confident76 Ų7656.3 Ų56.329%0.28731%0.305SS..Hα-helixtrans-63.7-39.9173.6-72.2-178.2-166.3-90.7-8.6112.1D772 I778 A779 D780 L792 L795D772-R776 WeakPolarHBondContact O-CB 3.4Å; D772-R776 VanDerWaalsContact O-CG 3.31Å; D772-R776 WeakPolarHBondContact O-CG 3.49Å; D772-R776 PolarHBondContact O-N 3.02Å; D772-R776 IonicContact OD1-CZ 2.91Å; D772-R776 IonicContact OD1-NE 3.26Å; D772-R776 PolarHBondContact OD1-NE 2.85Å; D772-R776 IonicContact OD1-NH2 2.95Å; D772-R776 PolarHBondContact OD1-NH2 2.88Å; D772-R776 WeakPolarHBondContact OD2-CD 3.33Å; D772-R776 IonicContact OD2-CZ 3.78Å; D772-R776 IonicContact OD2-NE 2.81Å; D772-R776 PolarHBondContact OD2-NE 3.36Å; D772-R776 IonicContact OD2-NH2 3.84Å; R776-I778 VanDerWaalsContact C-N 3.27Å; R776-I778 PolarHBondContact O-N 3.47Å; R776-A779 WeakPolarHBondContact O-CB 3.5Å; R776-A779 PolarHBondContact O-N 3.36Å; R776-D780 WeakPolarHBondContact O-CB 3.34Å; R776-D780 PolarHBondContact O-N 2.87Å; R776-L792 HydrophobicContact CG-CD2 4.04Å; R776-L795 HydrophobicContact CG-CD1 3.92Å
777S74.8Confident76.5Confident58 Ų5851.3 Ų51.341%0.40628%0.283SS..Hα-helixtrans-60.7-38.2174.9-550000111.9K773 L774 L781K773-S777 PolarHBondContact O-N 3.11Å; K773-S777 VanDerWaalsContact O-N 3.12Å; K773-S777 PolarHBondContact O-OG 3.29Å; L774-S777 WeakPolarHBondContact O-CB 3.48Å; L774-S777 PolarHBondContact O-N 3.12Å; S777-L781 VanDerWaalsContact O-CG 3.29Å; S777-L781 WeakPolarHBondContact O-CG 3.49Å; S777-L781 PolarHBondContact O-N 3.48Å
778I77Confident76.2Confident17 Ų1753.7 Ų53.79%0.08729%0.293CS..Hα-helixtrans-70.3-42.6174.4-64.3168.6000111I727 L774 G775 R776 D780 L781 C782 L791 A906 V924I727-I778 HydrophobicContact CD1-CD1 3.34Å; L774-I778 WeakPolarHBondContact O-CG1 3.4Å; L774-I778 PolarHBondContact O-N 3.47Å; G775-I778 PolarHBondContact O-N 3.09Å; R776-I778 VanDerWaalsContact C-N 3.27Å; R776-I778 PolarHBondContact O-N 3.47Å; I778-D780 VanDerWaalsContact C-N 3.3Å; I778-D780 PolarHBondContact O-N 3.34Å; I778-L781 PolarHBondContact O-N 2.9Å; I778-C782 PolarHBondContact O-N 3.46Å; I778-C782 VanDerWaalsContact O-N 3.09Å; I778-L791 HydrophobicContact CB-CD2 4.3Å; I778-L791 HydrophobicContact CG2-CD2 4.06Å; I778-A906 HydrophobicContact CG2-CB 3.69Å; I778-V924 HydrophobicContact CD1-CG2 3.62Å; I778-V924 HydrophobicContact CG1-CG2 4.36Å
779A76.1Confident76Confident0 Ų058.9 Ų58.90%032%0.316CS..Hα-helixtrans-61.2-38.2178.500000112G775 R776 L781 C782 K788 L791 L792G775-A779 WeakPolarHBondContact O-CB 3.19Å; G775-A779 PolarHBondContact O-N 3.33Å; R776-A779 WeakPolarHBondContact O-CB 3.5Å; R776-A779 PolarHBondContact O-N 3.36Å; A779-L781 VanDerWaalsContact C-N 3.3Å; A779-L781 PolarHBondContact O-N 3.41Å; A779-C782 WeakPolarHBondContact O-CB 3.27Å; A779-C782 PolarHBondContact O-N 3.37Å; A779-K788 HydrophobicContact CB-CG 4.13Å; A779-K788 WeakPolarHBondContact O-CD 3.49Å; A779-K788 VanDerWaalsContact O-CE 3.26Å; A779-K788 WeakPolarHBondContact O-CE 3.22Å; A779-K788 WeakPolarHBondContact O-CG 3.46Å; A779-L791 HydrophobicContact CB-CD2 3.93Å; A779-L791 HydrophobicContact CB-CG 4.34Å; A779-L792 HydrophobicContact CB-CD2 3.88Å; A779-L792 HydrophobicContact CB-CG 4.08Å
780D72.1Confident76.1Confident112 Ų11259.3 Ų59.360%0.59932%0.316SS*.Hα-helixtrans-69.9-27.4177.6-74.4-24.6000113.1R776 I778 K788R776-D780 WeakPolarHBondContact O-CB 3.34Å; R776-D780 PolarHBondContact O-N 2.87Å; I778-D780 VanDerWaalsContact C-N 3.3Å; I778-D780 PolarHBondContact O-N 3.34Å; D780-K788 IonicContact OD1-NZ 2.63Å; D780-K788 PolarHBondContact OD1-NZ 3.45Å
781L69.9Low76.4Confident96 Ų9653.6 Ų53.650%0.50329%0.291SS..Hα-helixtrans-87.8-7.5175-64.3173.2000113.2S777 I778 A779 P783 Y910S777-L781 VanDerWaalsContact O-CG 3.29Å; S777-L781 WeakPolarHBondContact O-CG 3.49Å; S777-L781 PolarHBondContact O-N 3.48Å; I778-L781 PolarHBondContact O-N 2.9Å; A779-L781 VanDerWaalsContact C-N 3.3Å; A779-L781 PolarHBondContact O-N 3.41Å; L781-P783 WeakPolarHBondContact O-CD 3.33Å; L781-Y910 HydrophobicContact CB-CD2 4.04Å; L781-Y910 HydrophobicContact CB-CE2 4.38Å; L781-Y910 HydrophobicContact CD1-CE2 4.42Å; L781-Y910 HydrophobicContact CD2-CE2 4.39Å
782C73.9Confident75.9Confident8 Ų855.1 Ų55.15%0.05430%0.299CS..  trans-82.9117-179.9-175.20000110.8I778 A779 D784 K788 A906I778-C782 PolarHBondContact O-N 3.46Å; I778-C782 VanDerWaalsContact O-N 3.09Å; A779-C782 WeakPolarHBondContact O-CB 3.27Å; A779-C782 PolarHBondContact O-N 3.37Å; C782-D784 VanDerWaalsContact C-N 3.32Å; C782-D784 PolarHBondContact SG-O 2.76Å; C782-D784 VanDerWaalsContact SG-O 3.37Å; C782-K788 HydrophobicContact CB-CB 4.42Å; C782-A906 HydrophobicContact CB-CB 4.21Å
783P69.1Low76Confident91 Ų9155.9 Ų55.959%0.59131%0.309SS*.  trans-77.5-19.4178.631.3-35000113L781 S785L781-P783 WeakPolarHBondContact O-CD 3.33Å; P783-S785 PolarHBondContact O-N 3.38Å
784D80.1Confident76.5Confident55 Ų5552.6 Ų52.629%0.29429%0.293SS..  trans-83.1110179.3-173-17000109.7C782 S786 C787 K788 K909C782-D784 VanDerWaalsContact C-N 3.32Å; C782-D784 PolarHBondContact SG-O 2.76Å; C782-D784 VanDerWaalsContact SG-O 3.37Å; D784-S786 VanDerWaalsContact C-N 3.33Å; D784-S786 PolarHBondContact O-N 3.16Å; D784-S786 PolarHBondContact OD1-N 3.44Å; D784-C787 HydrophobicContact CB-CB 4.11Å; D784-C787 PolarHBondContact O-N 3.22Å; D784-K788 WeakPolarHBondContact O-CB 3.31Å; D784-K788 PolarHBondContact O-N 3.29Å; D784-K909 IonicContact OD2-NZ 3.98Å; D784-K909 PolarHBondContact OD2-NZ 3Å
785S75.3Confident76.4Confident82 Ų8251.2 Ų51.257%0.57329%0.286SS*.Hα-helixtrans-61.9-38-175.8-170.80000112.3P783 K788 Q789P783-S785 PolarHBondContact O-N 3.38Å; S785-K788 PolarHBondContact O-N 3.05Å; S785-Q789 VanDerWaalsContact O-CG 3.3Å; S785-Q789 WeakPolarHBondContact O-CG 3.19Å; S785-Q789 PolarHBondContact O-N 3.43Å
786S76.4Confident76.1Confident78 Ų7855.1 Ų55.155%0.54530%0.304SS..Hα-helixtrans-67.3-49.2-179-177.10000110.9D784 K788 Q789 D790D784-S786 VanDerWaalsContact C-N 3.33Å; D784-S786 PolarHBondContact O-N 3.16Å; D784-S786 PolarHBondContact OD1-N 3.44Å; S786-K788 PolarHBondContact O-N 3.46Å; S786-Q789 PolarHBondContact O-N 3.35Å; S786-D790 PolarHBondContact O-N 3.42Å; S786-D790 VanDerWaalsContact O-N 3.13Å
787C76.5Confident76Confident12 Ų1255.6 Ų55.68%0.08131%0.306CS..Hα-helixtrans-62.4-33.6177.3-172.90000112.4D784 L791 A906D784-C787 HydrophobicContact CB-CB 4.11Å; D784-C787 PolarHBondContact O-N 3.22Å; C787-L791 WeakPolarHBondContact O-CB 3.34Å; C787-L791 PolarHBondContact O-N 2.94Å; C787-A906 VanDerWaalsContact SG-CA 3.56Å; C787-A906 PolarHBondContact SG-N 2.93Å
788K78.4Confident76.3Confident52 Ų5252.9 Ų52.923%0.22629%0.287CS..Hα-helixtrans-65.3-46.7175.3179.9175.5-174.7162.60111.7A779 D780 C782 D784 S785 S786 L791 L792A779-K788 HydrophobicContact CB-CG 4.13Å; A779-K788 WeakPolarHBondContact O-CD 3.49Å; A779-K788 VanDerWaalsContact O-CE 3.26Å; A779-K788 WeakPolarHBondContact O-CE 3.22Å; A779-K788 WeakPolarHBondContact O-CG 3.46Å; D780-K788 IonicContact OD1-NZ 2.63Å; D780-K788 PolarHBondContact OD1-NZ 3.45Å; C782-K788 HydrophobicContact CB-CB 4.42Å; D784-K788 WeakPolarHBondContact O-CB 3.31Å; D784-K788 PolarHBondContact O-N 3.29Å; S785-K788 PolarHBondContact O-N 3.05Å; S786-K788 PolarHBondContact O-N 3.46Å; K788-L791 PolarHBondContact O-N 2.89Å; K788-L792 HydrophobicContact CG-CD1 4.09Å; K788-L792 WeakPolarHBondContact O-CG 3.32Å; K788-L792 PolarHBondContact O-N 2.67Å
789Q77.2Confident76.1Confident113 Ų11354.7 Ų54.753%0.52831%0.305SS..Hα-helixtrans-63.6-43.1-179.8-69.5-61.3-32.600111.8S785 S786 L791 L792 A793S785-Q789 VanDerWaalsContact O-CG 3.3Å; S785-Q789 WeakPolarHBondContact O-CG 3.19Å; S785-Q789 PolarHBondContact O-N 3.43Å; S786-Q789 PolarHBondContact O-N 3.35Å; Q789-L791 PolarHBondContact O-N 3.31Å; Q789-L792 PolarHBondContact O-N 3.37Å; Q789-A793 WeakPolarHBondContact O-CB 3.38Å; Q789-A793 PolarHBondContact O-N 3.36Å
790D78.1Confident75.9Confident82 Ų8257.5 Ų57.544%0.43932%0.32SS..Hα-helixtrans-59.9-47177.1-68.3-19.4000111.6S786 L792 A793 Y794S786-D790 PolarHBondContact O-N 3.42Å; S786-D790 VanDerWaalsContact O-N 3.13Å; D790-L792 PolarHBondContact O-N 3.37Å; D790-A793 PolarHBondContact O-N 3.05Å; D790-Y794 HydrophobicContact CB-CE2 4.23Å; D790-Y794 WeakPolarHBondContact O-CD2 3.26Å; D790-Y794 PolarHBondContact O-N 3.02Å; D790-Y794 VanDerWaalsContact O-N 3.11Å
791L81.9Confident76.3Confident0 Ų053.8 Ų53.80%030%0.297CS..Hα-helixtrans-60.2-45.5177.7178.254.2000111.6I778 A779 C787 K788 Q789 A793 Y794 L795 T899 A902 S903 A906I778-L791 HydrophobicContact CB-CD2 4.3Å; I778-L791 HydrophobicContact CG2-CD2 4.06Å; A779-L791 HydrophobicContact CB-CD2 3.93Å; A779-L791 HydrophobicContact CB-CG 4.34Å; C787-L791 WeakPolarHBondContact O-CB 3.34Å; C787-L791 PolarHBondContact O-N 2.94Å; K788-L791 PolarHBondContact O-N 2.89Å; Q789-L791 PolarHBondContact O-N 3.31Å; L791-A793 PolarHBondContact O-N 2.92Å; L791-Y794 PolarHBondContact O-N 3Å; L791-L795 HydrophobicContact CD1-CD1 4.5Å; L791-L795 HydrophobicContact CD1-CG 4.45Å; L791-L795 HydrophobicContact CG-CD1 4.46Å; L791-L795 VanDerWaalsContact O-CG 3.32Å; L791-L795 WeakPolarHBondContact O-CG 3.45Å; L791-L795 PolarHBondContact O-N 2.94Å; L791-L795 VanDerWaalsContact O-N 3.12Å; L791-T899 HydrophobicContact CD1-CG2 4.29Å; L791-A902 HydrophobicContact CB-CB 4.16Å; L791-A902 HydrophobicContact CD1-CB 3.99Å; L791-S903 WeakPolarHBondContact CD1-OG 3.4Å; L791-A906 HydrophobicContact CD2-CB 3.82Å
792L73.7Confident76.5Confident32 Ų3249.6 Ų49.617%0.16828%0.276CS..Hα-helixtrans-65.1-38.1178.8-69.6174.5000112.7R776 A779 K788 Q789 D790 L795 Q796R776-L792 HydrophobicContact CG-CD2 4.04Å; A779-L792 HydrophobicContact CB-CD2 3.88Å; A779-L792 HydrophobicContact CB-CG 4.08Å; K788-L792 HydrophobicContact CG-CD1 4.09Å; K788-L792 WeakPolarHBondContact O-CG 3.32Å; K788-L792 PolarHBondContact O-N 2.67Å; Q789-L792 PolarHBondContact O-N 3.37Å; D790-L792 PolarHBondContact O-N 3.37Å; L792-L795 HydrophobicContact CD2-CD1 4.43Å; L792-L795 PolarHBondContact O-N 3.45Å; L792-Q796 WeakPolarHBondContact O-CG 3.4Å; L792-Q796 PolarHBondContact O-N 3Å
793A76.6Confident76.5Confident44 Ų4454.8 Ų54.836%0.36430%0.299SS..Hα-helixtrans-62.9-42.3176.200000111.8Q789 D790 L791 L795 Q796 R797Q789-A793 WeakPolarHBondContact O-CB 3.38Å; Q789-A793 PolarHBondContact O-N 3.36Å; D790-A793 PolarHBondContact O-N 3.05Å; L791-A793 PolarHBondContact O-N 2.92Å; A793-L795 VanDerWaalsContact C-N 3.35Å; A793-L795 PolarHBondContact O-N 2.86Å; A793-Q796 PolarHBondContact O-N 3.25Å; A793-R797 WeakPolarHBondContact O-CG 3.3Å; A793-R797 PolarHBondContact O-N 3.48Å; A793-R797 VanDerWaalsContact O-N 3.09Å
794Y83.3Confident76.6Confident68 Ų6853.9 Ų53.927%0.26729%0.287SS..Hα-helixtrans-67.2-34.4176-62.5-54.1000112.8D790 L791 R797 I798 S898 T899 A902D790-Y794 HydrophobicContact CB-CE2 4.23Å; D790-Y794 WeakPolarHBondContact O-CD2 3.26Å; D790-Y794 PolarHBondContact O-N 3.02Å; D790-Y794 VanDerWaalsContact O-N 3.11Å; L791-Y794 PolarHBondContact O-N 3Å; Y794-R797 WeakPolarHBondContact O-CB 3.36Å; Y794-R797 PolarHBondContact O-N 2.97Å; Y794-I798 PolarHBondContact O-N 3.13Å; Y794-S898 VanDerWaalsContact CD1-CB 3.44Å; Y794-T899 WeakPolarHBondContact CB-OG1 3.32Å; Y794-A902 HydrophobicContact CD2-CB 3.95Å; Y794-A902 HydrophobicContact CE2-CB 4.27Å
795L75.7Confident76.4Confident0 Ų051.3 Ų51.30%027%0.274CS..Hα-helixtrans-65.3-39.1173.8-68177.1000112.5R776 L791 L792 A793 R797 I798 A799 T899R776-L795 HydrophobicContact CG-CD1 3.92Å; L791-L795 HydrophobicContact CD1-CD1 4.5Å; L791-L795 HydrophobicContact CD1-CG 4.45Å; L791-L795 HydrophobicContact CG-CD1 4.46Å; L791-L795 VanDerWaalsContact O-CG 3.32Å; L791-L795 WeakPolarHBondContact O-CG 3.45Å; L791-L795 PolarHBondContact O-N 2.94Å; L791-L795 VanDerWaalsContact O-N 3.12Å; L792-L795 HydrophobicContact CD2-CD1 4.43Å; L792-L795 PolarHBondContact O-N 3.45Å; A793-L795 VanDerWaalsContact C-N 3.35Å; A793-L795 PolarHBondContact O-N 2.86Å; L795-R797 VanDerWaalsContact C-N 3.32Å; L795-R797 PolarHBondContact O-N 2.88Å; L795-I798 HydrophobicContact CD2-CD1 4.42Å; L795-I798 WeakPolarHBondContact O-CB 3.31Å; L795-I798 PolarHBondContact O-N 3.36Å; L795-A799 PolarHBondContact O-N 2.78Å; L795-T899 HydrophobicContact CD2-CG2 3.52Å; L795-T899 HydrophobicContact CG-CG2 4.43Å
796Q73.8Confident76.1Confident81 Ų8148.8 Ų48.838%0.37925%0.253SS..Hα-helixtrans-63.1-38.2172.7-71.8173.2-8.500111.9L792 A793 A799 L800L792-Q796 WeakPolarHBondContact O-CG 3.4Å; L792-Q796 PolarHBondContact O-N 3Å; A793-Q796 PolarHBondContact O-N 3.25Å; Q796-A799 PolarHBondContact O-N 2.99Å; Q796-L800 PolarHBondContact O-N 3.03Å
797R77.2Confident75.8Confident86 Ų8649.5 Ų49.533%0.32525%0.25SS..Hα-helixtrans-64.5-39.7173.4-69.4175.266.7-175.3-3.7112.2A793 Y794 L795 A799 L800 Y801 A895A793-R797 WeakPolarHBondContact O-CG 3.3Å; A793-R797 PolarHBondContact O-N 3.48Å; A793-R797 VanDerWaalsContact O-N 3.09Å; Y794-R797 WeakPolarHBondContact O-CB 3.36Å; Y794-R797 PolarHBondContact O-N 2.97Å; L795-R797 VanDerWaalsContact C-N 3.32Å; L795-R797 PolarHBondContact O-N 2.88Å; R797-A799 VanDerWaalsContact C-N 3.33Å; R797-A799 PolarHBondContact O-N 3Å; R797-L800 PolarHBondContact O-N 3.27Å; R797-Y801 HydrophobicContact CB-CD2 4.35Å; R797-Y801 HydrophobicContact CB-CE2 4.03Å; R797-Y801 WeakPolarHBondContact O-CD2 3.47Å; R797-Y801 PolarHBondContact O-N 2.99Å; R797-A895 HydrophobicContact CB-CB 3.97Å
798I79.1Confident75.4Confident1 Ų149.9 Ų49.91%0.00525%0.253CS..Hα-helixtrans-58.8-45.8172.1-72.2179.2000110.5M734 M771 Y794 L795 L800 Y801 C802 L892 A895 V896 T899M734-I798 HydrophobicContact CE-CG2 4.35Å; M771-I798 HydrophobicContact CG-CD1 4.47Å; M771-I798 HydrophobicContact SD-CD1 3.64Å; Y794-I798 PolarHBondContact O-N 3.13Å; L795-I798 HydrophobicContact CD2-CD1 4.42Å; L795-I798 WeakPolarHBondContact O-CB 3.31Å; L795-I798 PolarHBondContact O-N 3.36Å; I798-L800 PolarHBondContact O-N 2.93Å; I798-Y801 PolarHBondContact O-N 3.21Å; I798-C802 VanDerWaalsContact O-CB 3.22Å; I798-C802 WeakPolarHBondContact O-CB 3.37Å; I798-C802 PolarHBondContact O-N 3.05Å; I798-C802 PolarHBondContact O-SG 2.84Å; I798-L892 HydrophobicContact CB-CD1 4.32Å; I798-L892 HydrophobicContact CG1-CD1 4.3Å; I798-L892 HydrophobicContact CG2-CD1 4.11Å; I798-A895 HydrophobicContact CG1-CB 3.85Å; I798-V896 HydrophobicContact CD1-CG2 4.07Å; I798-V896 HydrophobicContact CG1-CG2 4.29Å; I798-T899 HydrophobicContact CD1-CG2 3.9Å; I798-T899 WeakPolarHBondContact CD1-OG1 3.48Å
799A73Confident74.8Confident56 Ų5647.6 Ų47.646%0.46324%0.243SC..Hα-helixtrans-61.4-44.9178.900000112.3L795 Q796 R797 H803L795-A799 PolarHBondContact O-N 2.78Å; Q796-A799 PolarHBondContact O-N 2.99Å; R797-A799 VanDerWaalsContact C-N 3.33Å; R797-A799 PolarHBondContact O-N 3Å; A799-H803 WeakPolarHBondContact O-CB 3.23Å; A799-H803 PolarHBondContact O-N 3.31Å; A799-H803 VanDerWaalsContact O-N 3.07Å
800L72.3Confident74Confident59 Ų5947.9 Ų47.931%0.30924%0.243SC..Hα-helixtrans-58.1-52.7175.9176.265.6000111.7I290 Q796 R797 I798 H803 Q804I290-L800 HydrophobicContact CD1-CD1 4.43Å; Q796-L800 PolarHBondContact O-N 3.03Å; R797-L800 PolarHBondContact O-N 3.27Å; I798-L800 PolarHBondContact O-N 2.93Å; L800-H803 WeakPolarHBondContact O-CB 3.42Å; L800-H803 PolarHBondContact O-N 3.48Å; L800-H803 VanDerWaalsContact O-N 3.17Å; L800-Q804 HydrophobicContact CD1-CG 4.5Å; L800-Q804 WeakPolarHBondContact O-CG 3.29Å; L800-Q804 PolarHBondContact O-N 3.3Å
801Y80.7Confident72.9Confident33 Ų3347.3 Ų47.313%0.12924%0.242CC..Hα-helixtrans-75.9-29.3-174.2-58.1-46.8000113.1R797 I798 H803 Q804 L805 N891 A895R797-Y801 HydrophobicContact CB-CD2 4.35Å; R797-Y801 HydrophobicContact CB-CE2 4.03Å; R797-Y801 WeakPolarHBondContact O-CD2 3.47Å; R797-Y801 PolarHBondContact O-N 2.99Å; I798-Y801 PolarHBondContact O-N 3.21Å; Y801-H803 VanDerWaalsContact C-N 3.28Å; Y801-H803 PolarHBondContact O-N 3.45Å; Y801-Q804 VanDerWaalsContact CD1-OE1 3.32Å; Y801-L805 WeakPolarHBondContact O-CB 3.47Å; Y801-L805 PolarHBondContact O-N 2.95Å; Y801-N891 HydrophobicContact CD1-CB 3.64Å; Y801-N891 VanDerWaalsContact CD2-C 3.43Å; Y801-N891 HydrophobicContact CD2-CB 3.81Å; Y801-N891 VanDerWaalsContact CD2-O 3.31Å; Y801-N891 WeakPolarHBondContact CD2-O 3.46Å; Y801-N891 HydrophobicContact CE1-CB 3.59Å; Y801-N891 HydrophobicContact CE2-CB 3.73Å; Y801-N891 WeakPolarHBondContact CE2-O 3.21Å; Y801-N891 HydrophobicContact CG-CB 3.77Å; Y801-A895 HydrophobicContact CD2-CB 4.04Å; Y801-A895 HydrophobicContact CE2-CB 4.31Å
802C74.9Confident71.3Confident9 Ų952.7 Ų52.76%0.06127%0.265CS..Hα-helixtrans-61.3-38.3166.9-76.90000111.6I798 N806I798-C802 VanDerWaalsContact O-CB 3.22Å; I798-C802 WeakPolarHBondContact O-CB 3.37Å; I798-C802 PolarHBondContact O-N 3.05Å; I798-C802 PolarHBondContact O-SG 2.84Å; C802-N806 WeakPolarHBondContact O-CB 3.38Å; C802-N806 PolarHBondContact O-N 3.15Å; C802-N806 VanDerWaalsContact O-N 3.14Å
803H73.6Confident69.8Low116 Ų11652.9 Ų52.954%0.53727%0.272SS..Hα-helixtrans-69.4-48.7177.3-172.772000111.6A799 L800 Y801 L805 N806 I807A799-H803 WeakPolarHBondContact O-CB 3.23Å; A799-H803 PolarHBondContact O-N 3.31Å; A799-H803 VanDerWaalsContact O-N 3.07Å; L800-H803 WeakPolarHBondContact O-CB 3.42Å; L800-H803 PolarHBondContact O-N 3.48Å; L800-H803 VanDerWaalsContact O-N 3.17Å; Y801-H803 VanDerWaalsContact C-N 3.28Å; Y801-H803 PolarHBondContact O-N 3.45Å; H803-L805 VanDerWaalsContact C-N 3.33Å; H803-L805 PolarHBondContact O-N 2.9Å; H803-N806 WeakPolarHBondContact O-CB 3.33Å; H803-N806 PolarHBondContact O-N 3.44Å; H803-N806 VanDerWaalsContact O-N 3.1Å; H803-I807 WeakPolarHBondContact O-CG1 3.32Å; H803-I807 PolarHBondContact O-N 3.06Å
804Q70Confident67.7Low73 Ų7355 Ų5534%0.34127%0.274SS..Hα-helixtrans-56-46.4174.4-72.3-177.1-12.500111.6L800 Y801 N806 I807 C808 A888L800-Q804 HydrophobicContact CD1-CG 4.5Å; L800-Q804 WeakPolarHBondContact O-CG 3.29Å; L800-Q804 PolarHBondContact O-N 3.3Å; Y801-Q804 VanDerWaalsContact CD1-OE1 3.32Å; Q804-N806 VanDerWaalsContact C-N 3.26Å; Q804-N806 PolarHBondContact O-N 2.82Å; Q804-I807 WeakPolarHBondContact O-CB 3.44Å; Q804-I807 PolarHBondContact O-N 3.23Å; Q804-I807 VanDerWaalsContact O-N 3.14Å; Q804-C808 PolarHBondContact O-N 3.38Å; Q804-C808 PolarHBondContact O-SG 2.88Å; Q804-A888 HydrophobicContact CB-CB 4.22Å
805L76.4Confident65.5Low1 Ų152.9 Ų52.91%0.00527%0.268CS..Hα-helixtrans-61.9-33.5178.2-165.173.1000112.6M741 I764 Y801 H803 S809 L885 A888 A889 L892M741-L805 HydrophobicContact CE-CD1 4.11Å; M741-L805 HydrophobicContact CE-CD2 4.07Å; M741-L805 HydrophobicContact CE-CG 3.89Å; M741-L805 HydrophobicContact SD-CD2 4.16Å; I764-L805 HydrophobicContact CB-CD2 4.41Å; I764-L805 HydrophobicContact CD1-CD2 3.52Å; I764-L805 HydrophobicContact CG2-CD2 4.04Å; Y801-L805 WeakPolarHBondContact O-CB 3.47Å; Y801-L805 PolarHBondContact O-N 2.95Å; H803-L805 VanDerWaalsContact C-N 3.33Å; H803-L805 PolarHBondContact O-N 2.9Å; L805-S809 WeakPolarHBondContact O-CB 3.45Å; L805-S809 PolarHBondContact O-N 3.12Å; L805-L885 HydrophobicContact CD1-CD1 3.79Å; L805-L885 HydrophobicContact CD1-CG 4.1Å; L805-L885 WeakPolarHBondContact CD1-O 3.38Å; L805-L885 HydrophobicContact CG-CD1 4.38Å; L805-A888 HydrophobicContact CB-CB 4.28Å; L805-A888 HydrophobicContact CD1-CB 3.93Å; L805-A889 HydrophobicContact CD1-CB 3.99Å; L805-L892 HydrophobicContact CD2-CD2 4.1Å
806N70.3Confident63.4Low28 Ų2859 Ų5915%0.1530%0.297CS..Hα-helixtrans-71.5-38.8176-159.5-4.6000111.8C802 H803 Q804 S809 K810C802-N806 WeakPolarHBondContact O-CB 3.38Å; C802-N806 PolarHBondContact O-N 3.15Å; C802-N806 VanDerWaalsContact O-N 3.14Å; H803-N806 WeakPolarHBondContact O-CB 3.33Å; H803-N806 PolarHBondContact O-N 3.44Å; H803-N806 VanDerWaalsContact O-N 3.1Å; Q804-N806 VanDerWaalsContact C-N 3.26Å; Q804-N806 PolarHBondContact O-N 2.82Å; N806-S809 PolarHBondContact O-N 3.15Å; N806-S809 PolarHBondContact O-OG 3.42Å; N806-K810 WeakPolarHBondContact O-CG 3.44Å; N806-K810 PolarHBondContact O-N 2.67Å; N806-K810 VanDerWaalsContact OD1-CE 3.31Å; N806-K810 WeakPolarHBondContact OD1-CE 3.5Å
807I69.3Low61.4Low93 Ų9359 Ų5948%0.47730%0.299SS..Hα-helixtrans-60.8-52.9171.7-65.6167.7000109.7H803 Q804 S809 K810H803-I807 WeakPolarHBondContact O-CG1 3.32Å; H803-I807 PolarHBondContact O-N 3.06Å; Q804-I807 WeakPolarHBondContact O-CB 3.44Å; Q804-I807 PolarHBondContact O-N 3.23Å; Q804-I807 VanDerWaalsContact O-N 3.14Å; I807-S809 PolarHBondContact O-N 3.02Å; I807-S809 VanDerWaalsContact O-N 3.16Å; I807-K810 PolarHBondContact O-N 3.49Å
808C67.7Low59.1Low21 Ų2162.1 Ų62.114%0.14232%0.322CS..Hα-helixtrans-58-32.6179.9-60.60000112.7Q804 S881 L885Q804-C808 PolarHBondContact O-N 3.38Å; Q804-C808 PolarHBondContact O-SG 2.88Å; C808-S881 PolarHBondContact O-OG 3.43Å; C808-L885 HydrophobicContact CB-CB 4.23Å; C808-L885 HydrophobicContact CB-CD1 3.64Å
809S66.3Low56.9Low3 Ų366.1 Ų66.12%0.02136%0.363CS..Hα-helixtrans-74.5-23179.175.20000115I758 A761 L805 N806 I807I758-S809 WeakPolarHBondContact CG1-O 3.28Å; A761-S809 VanDerWaalsContact CB-CB 3.49Å; A761-S809 WeakPolarHBondContact CB-OG 3.3Å; L805-S809 WeakPolarHBondContact O-CB 3.45Å; L805-S809 PolarHBondContact O-N 3.12Å; N806-S809 PolarHBondContact O-N 3.15Å; N806-S809 PolarHBondContact O-OG 3.42Å; I807-S809 PolarHBondContact O-N 3.02Å; I807-S809 VanDerWaalsContact O-N 3.16Å
810K59.8Low55.1Low119 Ų11967.2 Ų67.252%0.51738%0.38SS..Hα-helixtrans-89.4-11.7-173-76174.2-178.2176.50113.9N806 I807 K812N806-K810 WeakPolarHBondContact O-CG 3.44Å; N806-K810 PolarHBondContact O-N 2.67Å; N806-K810 VanDerWaalsContact OD1-CE 3.31Å; N806-K810 WeakPolarHBondContact OD1-CE 3.5Å; I807-K810 PolarHBondContact O-N 3.49Å; K810-K812 PolarHBondContact O-N 3.34Å; K810-K812 VanDerWaalsContact O-N 3.15Å
811V55.5Low53.1Low70 Ų7069.6 Ų69.642%0.42439%0.389SS..  trans-66.3110.3174.1-176.30000107.9
812K47.3Very low50.8Low113 Ų11371.4 Ų71.449%0.49140%0.401SS..  trans-84.1142.5-179.3-87.5-169.7174.1-1700110.5K810K810-K812 PolarHBondContact O-N 3.34Å; K810-K812 VanDerWaalsContact O-N 3.15Å
813A42.9Very low48.9Very low37 Ų3773.2 Ų73.231%0.30641%0.412SS..  trans-108.2114.516800000108.5V824A813-V824 HydrophobicContact CB-CG1 3.79Å
814E33.4Very low46.9Very low89 Ų8968.9 Ų68.942%0.41639%0.394SS..EExtended strand (participates in β ladder)trans-106.6137.8178.2-68.9-176.3163.800111.7V824 S825E814-V824 VanDerWaalsContact C-CG1 3.49Å; E814-V824 CarbonylContact O-C 3.25Å; E814-V824 VanDerWaalsContact O-C 3.25Å; E814-V824 WeakPolarHBondContact O-CA 3.34Å; E814-V824 WeakPolarHBondContact O-CG1 3.01Å; E814-S825 CarbonylContact C-O 3.58Å; E814-S825 WeakPolarHBondContact CA-O 3.36Å; E814-S825 VanDerWaalsContact CB-O 3.28Å; E814-S825 WeakPolarHBondContact CB-O 3.47Å; E814-S825 PolarHBondContact N-O 3.01Å; E814-S825 PolarHBondContact O-N 3.29Å
815V36.1Very low45.1Very low22 Ų2267.2 Ų67.213%0.13339%0.39CS..EExtended strand (participates in β ladder)trans-102.7131-175.2-175.40000110.8I679 I687 L822 V823 V824I679-V815 HydrophobicContact CB-CG2 4.43Å; I679-V815 HydrophobicContact CG2-CB 3.29Å; I679-V815 HydrophobicContact CG2-CG1 4.45Å; I679-V815 HydrophobicContact CG2-CG2 3.26Å; I687-V815 HydrophobicContact CD1-CG2 3.98Å; V815-L822 HydrophobicContact CG1-CD2 3.93Å; V815-V823 CarbonylContact C-O 3.11Å; V815-V823 WeakPolarHBondContact CA-O 3.3Å; V815-V823 WeakPolarHBondContact CG1-O 3.3Å; V815-V824 HydrophobicContact CB-CG2 4.14Å; V815-V824 HydrophobicContact CG1-CG2 4.17Å; V815-V824 HydrophobicContact CG2-CB 4.34Å; V815-V824 HydrophobicContact CG2-CG1 4.06Å; V815-V824 HydrophobicContact CG2-CG2 3.56Å
816Q32.1Very low42.8Very low128 Ų12869.4 Ų69.460%0.59841%0.412SS*.EExtended strand (participates in β ladder)trans-113.6149.6164.4-73.5-171-2.400111.5V823Q816-V823 PolarHBondContact N-O 2.81Å; Q816-V823 WeakPolarHBondContact O-CB 3.45Å; Q816-V823 PolarHBondContact O-N 2.89Å
817N31.8Very low40.8Very low82 Ų8274 Ų7444%0.43944%0.442SS..EExtended strand (participates in β ladder)trans-119.4117.8-174.1-133.2-15.5000110.6N680N680-N817 PolarHBondContact ND2-ND2 3.49Å; N680-N817 VanDerWaalsContact ND2-ND2 3.17Å
818L28.1Very low38.7Very low151 Ų15174.6 Ų74.679%0.79145%0.454SS*.SBendtrans-135.1108.2164.9-88.5118.8000109.6
819G33.5Very low36.7Very low85 Ų8579.6 Ų79.688%0.87649%0.486SS*.SBendtrans89.823.5164.900000117.6
820G35Very low34.8Very low79 Ų7983.9 Ų83.981%0.81452%0.521SS*.SBendtrans85.17.5173.900000115.2
821E30Very low33.2Very low109 Ų10983.4 Ų83.451%0.50953%0.533SS..SBendtrans-119121.8174.4-161.4170.7-171.800107.8K871E821-K871 IonicContact OE2-NZ 3.29Å; E821-K871 PolarHBondContact OE2-NZ 2.78Å
822L33.8Very low31.6Very low71 Ų7186 Ų8637%0.37255%0.554SS.*EExtended strand (participates in β ladder)trans-72.3128.5-175-78.2155000110.6N680 V815N680-L822 HydrophobicContact CB-CD2 4.41Å; V815-L822 HydrophobicContact CG1-CD2 3.93Å
823V34.1Very low30.5Very low47 Ų4785.7 Ų85.729%0.28557%0.565SS.*EExtended strand (participates in β ladder)trans-127.9136.8-176.4154.60000110.4V815 Q816 T874V815-V823 CarbonylContact C-O 3.11Å; V815-V823 WeakPolarHBondContact CA-O 3.3Å; V815-V823 WeakPolarHBondContact CG1-O 3.3Å; Q816-V823 PolarHBondContact N-O 2.81Å; Q816-V823 WeakPolarHBondContact O-CB 3.45Å; Q816-V823 PolarHBondContact O-N 2.89Å; V823-T874 HydrophobicContact CG1-CG2 3.57Å; V823-T874 WeakPolarHBondContact CG1-OG1 3.45Å; V823-T874 WeakPolarHBondContact CG2-OG1 3.47Å
824V31.8Very low29.6Very low26 Ų2691 Ų9116%0.15859%0.587CS.*EExtended strand (participates in β ladder)trans-125.9119.7-176.1-165.90000112.4A813 E814 V815A813-V824 HydrophobicContact CB-CG1 3.79Å; E814-V824 VanDerWaalsContact C-CG1 3.49Å; E814-V824 CarbonylContact O-C 3.25Å; E814-V824 VanDerWaalsContact O-C 3.25Å; E814-V824 WeakPolarHBondContact O-CA 3.34Å; E814-V824 WeakPolarHBondContact O-CG1 3.01Å; V815-V824 HydrophobicContact CB-CG2 4.14Å; V815-V824 HydrophobicContact CG1-CG2 4.17Å; V815-V824 HydrophobicContact CG2-CB 4.34Å; V815-V824 HydrophobicContact CG2-CG1 4.06Å; V815-V824 HydrophobicContact CG2-CG2 3.56Å
825S31.7Very low29.1Very low38 Ų3892.5 Ų92.527%0.26660%0.596SS.*EExtended strand (participates in β ladder)trans-113.7150177.355.10000112.3E814E814-S825 CarbonylContact C-O 3.58Å; E814-S825 WeakPolarHBondContact CA-O 3.36Å; E814-S825 VanDerWaalsContact CB-O 3.28Å; E814-S825 WeakPolarHBondContact CB-O 3.47Å; E814-S825 PolarHBondContact N-O 3.01Å; E814-S825 PolarHBondContact O-N 3.29Å
826G29.4Very low28.4Very low46 Ų46100.6 Ų100.647%0.47463%0.63SS.*  trans-121.8143.9169.100000110.8
827V26.3Very low27.9Very low126 Ų126103 Ų10376%0.76464%0.639SS**  trans-106.7137.7178.8-165.20000110.4
828S25.4Very low27.5Very low105 Ų105108.1 Ų108.173%0.73466%0.66SS**PPolyproline II helixtrans-73.3140.3172.9-1560000111.3A830S828-A830 PolarHBondContact O-N 3.43Å
829P27.2Very low27.3Very low126 Ų126105.1 Ų105.182%0.81866%0.657SS**PPolyproline II helixtrans-70.9116.2176.4-5.620.6000110.3
830A25.9Very low27Very low92 Ų92108.7 Ų108.776%0.7666%0.656SS**PPolyproline II helixtrans-59.213617500000112.2S828 S832S828-A830 PolarHBondContact O-N 3.43Å; A830-S832 PolarHBondContact O-N 3.29Å
831S25.6Very low26.6Very low110 Ų110108.5 Ų108.577%0.76965%0.654SS**  trans-40.4118.4171.3-460000113.3C833S831-C833 VanDerWaalsContact C-N 3.3Å; S831-C833 PolarHBondContact O-N 2.93Å
832S22.5Very low26.4Very low124 Ų124111.6 Ų111.687%0.86767%0.668SS**  trans-87.775.8155-67.10000108.4A830 I834A830-S832 PolarHBondContact O-N 3.29Å; S832-I834 PolarHBondContact O-N 2.9Å
833C24.7Very low25.9Very low107 Ų107115 Ų11572%0.72369%0.685SS**  trans-82104.2162.9-92.70000108.2S831 I835S831-C833 VanDerWaalsContact C-N 3.3Å; S831-C833 PolarHBondContact O-N 2.93Å; C833-I835 PolarHBondContact O-N 3.42Å
834I22.8Very low25.3Very low148 Ų148119 Ų11976%0.75971%0.705SS**  trans-70.9108.6157.8-66.8172.4000106S832 F836S832-I834 PolarHBondContact O-N 2.9Å; I834-F836 HydrophobicContact CG2-CD2 4.31Å; I834-F836 HydrophobicContact CG2-CE2 4.23Å
835I23.3Very low24.8Very low120 Ų120125.2 Ų125.262%0.61573%0.734SS**  trans-81.2116.2172.2-60179.3000107.7C833 F837C833-I835 PolarHBondContact O-N 3.42Å; I835-F837 HydrophobicContact CB-CD2 4.44Å; I835-F837 HydrophobicContact CB-CE2 4.34Å; I835-F837 HydrophobicContact CG2-CD2 3.52Å; I835-F837 HydrophobicContact CG2-CE2 3.47Å; I835-F837 VanDerWaalsContact CG2-CE2 3.47Å; I835-F837 HydrophobicContact CG2-CG 4.27Å; I835-F837 HydrophobicContact CG2-CZ 4.19Å
836F21.1Very low24.3Very low193 Ų193128.8 Ų128.885%0.84676%0.758SS**  trans-82.5110.3159-86.9-86000108.2I834I834-F836 HydrophobicContact CG2-CD2 4.31Å; I834-F836 HydrophobicContact CG2-CE2 4.23Å
837F22.1Very low24.1Very low179 Ų179130 Ų13079%0.78576%0.764SS**  trans-82.6119.5163.1-84.6-85.7000108.5I835I835-F837 HydrophobicContact CB-CD2 4.44Å; I835-F837 HydrophobicContact CB-CE2 4.34Å; I835-F837 HydrophobicContact CG2-CD2 3.52Å; I835-F837 HydrophobicContact CG2-CE2 3.47Å; I835-F837 VanDerWaalsContact CG2-CE2 3.47Å; I835-F837 HydrophobicContact CG2-CG 4.27Å; I835-F837 HydrophobicContact CG2-CZ 4.19Å
838H22.4Very low24Very low189 Ų189132.4 Ų132.488%0.87577%0.767SS**  trans-89.7112.5158.2-14149.2000106.7
839A25.8Very low24.1Very low88 Ų88134.9 Ų134.973%0.72777%0.767SS**  trans-99.9124.1177.900000109.1
840D25.7Very low24Very low160 Ų160136 Ų13686%0.85676%0.761SS**  trans-120.3127.5152.6-90.5-32.5000107.9
841G26.8Very low24.1Very low74 Ų74138 Ų13876%0.76376%0.764SS**  trans101.878.2155.700000119.1
842Q25.2Very low24.1Very low175 Ų175140.3 Ų140.382%0.81876%0.763SS**  trans45.8126131.1-83.8-175.2-13.500123.8
843I23.5Very low24.3Very low141 Ų141141.6 Ų141.672%0.72376%0.755SS**  trans76.9140.1135.3-61.9168.5000116.4
844L21.4Very low24.3Very low133 Ų133141.6 Ų141.670%0.69676%0.756SS**  cis178.6158.7-15.5-167.885.7000104.4
845M21.6Very low24.4Very low156 Ų156142.2 Ų142.277%0.76876%0.76SS**  trans90.2120.6154.3-65.4-71.817400122.3
846S22.3Very low24.4Very low112 Ų112146.3 Ų146.378%0.78377%0.774SS**  80.6141.4122.6-178.40000118.6
847A24.3Very low24.5Very low72 Ų72146.3 Ų146.360%0.59577%0.774SS**  cis-174.5158.1-11.200000108.5
848E24.8Very low24.6Very low176 Ų176144.1 Ų144.182%0.82277%0.77SS**  trans55.8117.4146.4-72.2165.1171.400121.9
849E26.6Very low24.5Very low158 Ų158142 Ų14274%0.73876%0.762SS**  87.6121.177.2-136-172.6-133.600110.9
850Q25.6Very low24.4Very low149 Ų149144.1 Ų144.170%0.69676%0.761SS**  176.3150.480.1-95.8-174.22.300114.2
851T27.1Very low24.3Very low133 Ų133144.4 Ų144.482%0.81676%0.756SS**  trans75.1130.5138.554.80000125.1
852E26.6Very low24.1Very low160 Ų160146.5 Ų146.575%0.74876%0.76SS**  trans-90.9153.3174.7-94.9-160.4128.700114
853Q26.2Very low24Very low150 Ų150144.9 Ų144.970%0.70177%0.766SS**  trans68.2111.8142.9-69.9171.922.200121
854S25.8Very low24.1Very low107 Ų107143.3 Ų143.375%0.74877%0.767SS**  168152.7103.6-75.70000113.1
855L23.8Very low24.6Very low162 Ų162142.3 Ų142.385%0.84877%0.769SS**  trans81.4100.5165.5-63.7158.4000118
856F23.6Very low24.5Very low205 Ų205140.5 Ų140.590%0.89977%0.77SS**  -160.8107.8119.8-129.6-99.4000110.9
857F23.8Very low24.9Very low193 Ų193143 Ų14385%0.84678%0.775SS**  trans-129109.3162.2-157.9-83.2000106.9
858L23.8Very low24.9Very low134 Ų134148 Ų14870%0.70279%0.79SS**  trans-163.8111.6151.1-118.9131.9000112.3
859M21.2Very low25Very low144 Ų144148.5 Ų148.571%0.70979%0.785SS**  trans54.2116.3145.3-68.2-149.5-81.600120.4
860L23.3Very low25Very low133 Ų133149.9 Ų149.970%0.69680%0.796SS**  81.2121.964.6-79.6168.3000115.2
861H24Very low25.1Very low165 Ų165148.1 Ų148.176%0.76479%0.786SS**  trans76.4113.8149.4-74.3-65.6000121.3
862S22.8Very low25.1Very low119 Ų119148.3 Ų148.383%0.83278%0.782SS**  -169.5135.9100.6-74.70000114.2
863C21.8Very low25.2Very low141 Ų141149.8 Ų149.895%0.95378%0.782SS**  trans73.3133.5160.1-103.10000122.7
864S25.1Very low25.4Very low107 Ų107145 Ų14575%0.74876%0.762SS**  trans-102.7173.4-164.4-149.40000111.8
865P32.3Very low25.6Very low113 Ų113144.8 Ų144.873%0.73475%0.753SS**  -148.2167.468.140.1-19.3000117.5
866C20.8Very low26.5Very low118 Ų118138.8 Ų138.880%0.79773%0.725SS**  trans8499.4151.5-65.10000120.6L868C866-L868 PolarHBondContact O-N 3.21Å
867N30.5Very low27.6Very low163 Ų163132.1 Ų132.187%0.87270%0.699SS**  trans-51.2117.9153.1-96.8-85.5000111.3
868L24.3Very low28.8Very low177 Ų177124.5 Ų124.593%0.92767%0.669SS**  trans-128.8121150.9-15471.9000109.1C866C866-L868 PolarHBondContact O-N 3.21Å
869R26.8Very low30Very low188 Ų188118.3 Ų118.371%0.70964%0.636SS**  trans-88.7119.3-159.4-158.8176.4-173.4173.72.2108.3K871R869-K871 HydrophobicContact CG-CG 4.31Å; R869-K871 PolarHBondContact O-N 3.47Å
870L25.7Very low31.5Very low187 Ų187111.7 Ų111.798%0.97960%0.604SS**  trans-61.694.3168.1-152.580.7000108.3
871K27Very low33.3Very low112 Ų112106.6 Ų106.649%0.48758%0.579SS.*  trans-137142.3176.6-95.8-164.8172.6-148.30108.1E821 R869E821-K871 IonicContact OE2-NZ 3.29Å; E821-K871 PolarHBondContact OE2-NZ 2.78Å; R869-K871 HydrophobicContact CG-CG 4.31Å; R869-K871 PolarHBondContact O-N 3.47Å
872L27.6Very low35.2Very low137 Ų13798.9 Ų98.972%0.71754%0.544SS*.  trans96.361.2171.4-54.5161.8000116.8
873Y28.3Very low37.3Very low191 Ų19194.8 Ų94.875%0.74951%0.512SS*.  trans-131.2126.2144.9-77-92.1000104.8
874T31.6Very low39.7Very low48 Ų4890.7 Ų90.729%0.29449%0.485SS..SBendtrans151.2-6155.948.90000117.3V823V823-T874 HydrophobicContact CG1-CG2 3.57Å; V823-T874 WeakPolarHBondContact CG1-OG1 3.45Å; V823-T874 WeakPolarHBondContact CG2-OG1 3.47Å
875N30.6Very low42.2Very low104 Ų10485.9 Ų85.956%0.55645%0.451SS*.SBendtrans-87.90.9-177.5-87.7-30.2000116.1
876S42.4Very low44.3Very low35 Ų3580.5 Ų80.525%0.24542%0.416CS..SBendtrans-92.4-24.6-165.251.10000116.8P650 C878P650-S876 WeakPolarHBondContact CD-OG 3.49Å; P650-S876 WeakPolarHBondContact CG-OG 3.5Å; S876-C878 VanDerWaalsContact C-N 3.31Å; S876-C878 PolarHBondContact O-N 3.38Å
877N46.8Very low46.7Very low66 Ų6677.8 Ų77.835%0.35339%0.392SS..Hα-helixtrans-80.5-2.1-164.9-62.20.6000115.3P650P650-N877 WeakPolarHBondContact CG-OD1 3.49Å
878C47.1Very low48.9Very low33 Ų3370.2 Ų70.222%0.22335%0.352CS..Hα-helixtrans-91.7-24.4-175.9-152.80000113.1M688 S876 A882M688-C878 PolarHBondContact SD-SG 3.22Å; S876-C878 VanDerWaalsContact C-N 3.31Å; S876-C878 PolarHBondContact O-N 3.38Å; C878-A882 WeakPolarHBondContact O-CB 3.38Å; C878-A882 PolarHBondContact O-N 2.88Å
879L50.2Low51.8Low4 Ų461.8 Ų61.82%0.02131%0.308CS..Hα-helixtrans-77-41.5-176.3-177.862.3000112.4T649 Q695 K698 I699 A882 M883T649-L879 HydrophobicContact CG2-CD2 4.33Å; Q695-L879 HydrophobicContact CB-CD1 3.94Å; Q695-L879 HydrophobicContact CB-CD2 3.93Å; Q695-L879 HydrophobicContact CB-CG 4.46Å; Q695-L879 HydrophobicContact CG-CD2 3.79Å; K698-L879 HydrophobicContact CD-CD2 4.42Å; I699-L879 HydrophobicContact CD1-CD1 3.52Å; I699-L879 HydrophobicContact CG1-CD1 3.43Å; I699-L879 VanDerWaalsContact CG1-CD1 3.43Å; L879-A882 CarbonylContact O-C 3.6Å; L879-A882 WeakPolarHBondContact O-CA 3.22Å; L879-A882 VanDerWaalsContact O-CB 3.31Å; L879-A882 WeakPolarHBondContact O-CB 3.36Å; L879-A882 PolarHBondContact O-N 3.23Å; L879-M883 HydrophobicContact CD1-CG 4.29Å; L879-M883 HydrophobicContact CD1-SD 4.4Å; L879-M883 HydrophobicContact CD2-CE 4.22Å; L879-M883 HydrophobicContact CD2-SD 4.48Å; L879-M883 HydrophobicContact CG-CE 3.88Å; L879-M883 HydrophobicContact CG-CG 4.34Å; L879-M883 HydrophobicContact CG-SD 4.11Å; L879-M883 WeakPolarHBondContact O-CG 3.31Å; L879-M883 PolarHBondContact O-N 3.22Å
880D52.7Low54.6Low5 Ų554.5 Ų54.53%0.02728%0.281CS..Hα-helixtrans-74.1-43.6-175-58.1-32.3000113.4T649 E651 A882 M883 S884T649-D880 WeakPolarHBondContact CB-OD1 3.13Å; T649-D880 WeakPolarHBondContact CB-OD2 2.98Å; T649-D880 WeakPolarHBondContact CG2-OD1 3.35Å; T649-D880 PolarHBondContact OG1-OD1 3.09Å; T649-D880 PolarHBondContact OG1-OD2 3.12Å; E651-D880 HydrophobicContact CB-CB 3.92Å; E651-D880 WeakPolarHBondContact CB-OD2 3.25Å; E651-D880 HydrophobicContact CG-CB 4.05Å; E651-D880 WeakPolarHBondContact OE2-CB 3.36Å; D880-A882 PolarHBondContact O-N 2.83Å; D880-M883 PolarHBondContact O-N 2.76Å; D880-M883 VanDerWaalsContact O-N 3.11Å; D880-M883 WeakPolarHBondContact OD1-CE 3.48Å; D880-S884 VanDerWaalsContact O-CB 3.28Å; D880-S884 WeakPolarHBondContact O-CB 3.41Å; D880-S884 PolarHBondContact O-N 3.44Å; D880-S884 PolarHBondContact O-OG 3.2Å
881S61.9Low57.2Low25 Ų2547.6 Ų47.618%0.17525%0.245CC..Hα-helixtrans-51.9-41.4168.3178.40000109.7C808 L885C808-S881 PolarHBondContact O-OG 3.43Å; S881-L885 WeakPolarHBondContact O-CB 3.39Å; S881-L885 PolarHBondContact O-N 3.47Å
882A62Low60.2Low4 Ų442.2 Ų42.23%0.03322%0.222CC..Hα-helixtrans-69.7-43.2175.700000114M688 I699 T745 C878 L879 D880 L885 I886M688-A882 HydrophobicContact CE-CB 3.54Å; I699-A882 HydrophobicContact CD1-CB 4.42Å; T745-A882 HydrophobicContact CG2-CB 3.48Å; T745-A882 VanDerWaalsContact CG2-CB 3.48Å; C878-A882 WeakPolarHBondContact O-CB 3.38Å; C878-A882 PolarHBondContact O-N 2.88Å; L879-A882 CarbonylContact O-C 3.6Å; L879-A882 WeakPolarHBondContact O-CA 3.22Å; L879-A882 VanDerWaalsContact O-CB 3.31Å; L879-A882 WeakPolarHBondContact O-CB 3.36Å; L879-A882 PolarHBondContact O-N 3.23Å; D880-A882 PolarHBondContact O-N 2.83Å; A882-L885 WeakPolarHBondContact O-CB 3.23Å; A882-L885 PolarHBondContact O-N 3.46Å; A882-I886 VanDerWaalsContact O-CD1 3.26Å; A882-I886 WeakPolarHBondContact O-CD1 3.37Å; A882-I886 WeakPolarHBondContact O-CG1 3.47Å; A882-I886 PolarHBondContact O-N 3.19Å
883M68.6Low63.2Low32 Ų3235.7 Ų35.716%0.15819%0.188CC..Hα-helixtrans-66.2-46.9178.6-71.2-173-58.600111.8K698 L879 D880 L885 I886 Q887K698-M883 HydrophobicContact CB-SD 4.35Å; L879-M883 HydrophobicContact CD1-CG 4.29Å; L879-M883 HydrophobicContact CD1-SD 4.4Å; L879-M883 HydrophobicContact CD2-CE 4.22Å; L879-M883 HydrophobicContact CD2-SD 4.48Å; L879-M883 HydrophobicContact CG-CE 3.88Å; L879-M883 HydrophobicContact CG-CG 4.34Å; L879-M883 HydrophobicContact CG-SD 4.11Å; L879-M883 WeakPolarHBondContact O-CG 3.31Å; L879-M883 PolarHBondContact O-N 3.22Å; D880-M883 PolarHBondContact O-N 2.76Å; D880-M883 VanDerWaalsContact O-N 3.11Å; D880-M883 WeakPolarHBondContact OD1-CE 3.48Å; M883-L885 VanDerWaalsContact C-N 3.3Å; M883-L885 PolarHBondContact O-N 3.49Å; M883-I886 PolarHBondContact O-N 3.23Å; M883-Q887 WeakPolarHBondContact O-CB 3.4Å; M883-Q887 PolarHBondContact O-N 2.83Å
884S71.6Confident66Low55 Ų5528.9 Ų28.939%0.38516%0.164SC..Hα-helixtrans-61.1-38.9174.3-67.80000111.7D880 Q887 A888D880-S884 VanDerWaalsContact O-CB 3.28Å; D880-S884 WeakPolarHBondContact O-CB 3.41Å; D880-S884 PolarHBondContact O-N 3.44Å; D880-S884 PolarHBondContact O-OG 3.2Å; S884-Q887 PolarHBondContact O-N 3.35Å; S884-A888 VanDerWaalsContact O-CB 3.25Å; S884-A888 WeakPolarHBondContact O-CB 3.41Å; S884-A888 PolarHBondContact O-N 3.14Å
885L78.3Confident68.8Low6 Ų626.6 Ų26.63%0.03115%0.15CC..Hα-helixtrans-62.9-44.6173.6-164.678.8000111.8M741 T745 V757 L805 C808 S881 A882 M883 A889M741-L885 HydrophobicContact CB-CD2 4.34Å; M741-L885 HydrophobicContact CE-CD1 3.62Å; M741-L885 HydrophobicContact CE-CD2 4.18Å; M741-L885 HydrophobicContact CE-CG 4.11Å; T745-L885 HydrophobicContact CG2-CD2 4.04Å; V757-L885 HydrophobicContact CG1-CD2 4.11Å; L805-L885 HydrophobicContact CD1-CD1 3.79Å; L805-L885 HydrophobicContact CD1-CG 4.1Å; L805-L885 WeakPolarHBondContact CD1-O 3.38Å; L805-L885 HydrophobicContact CG-CD1 4.38Å; C808-L885 HydrophobicContact CB-CB 4.23Å; C808-L885 HydrophobicContact CB-CD1 3.64Å; S881-L885 WeakPolarHBondContact O-CB 3.39Å; S881-L885 PolarHBondContact O-N 3.47Å; A882-L885 WeakPolarHBondContact O-CB 3.23Å; A882-L885 PolarHBondContact O-N 3.46Å; M883-L885 VanDerWaalsContact C-N 3.3Å; M883-L885 PolarHBondContact O-N 3.49Å; L885-A889 VanDerWaalsContact O-CB 3.25Å; L885-A889 WeakPolarHBondContact O-CB 3.44Å; L885-A889 PolarHBondContact O-N 3.18Å
886I75.2Confident71.7Confident0 Ų021.6 Ų21.60%012%0.124CC..Hα-helixtrans-66.1-43.1178.1-63.9154.8000110.7I699 Q702 V703 F706 T742 T745 A882 M883 A889 K890I699-I886 HydrophobicContact CG2-CD1 3.98Å; Q702-I886 HydrophobicContact CB-CB 4.43Å; Q702-I886 HydrophobicContact CB-CD1 4.39Å; Q702-I886 HydrophobicContact CB-CG2 3.84Å; V703-I886 HydrophobicContact CG2-CD1 3.89Å; V703-I886 HydrophobicContact CG2-CG1 4.23Å; V703-I886 HydrophobicContact CG2-CG2 4.3Å; F706-I886 HydrophobicContact CB-CG2 4.21Å; T742-I886 HydrophobicContact CG2-CG1 4.2Å; T742-I886 HydrophobicContact CG2-CG2 4.41Å; T745-I886 HydrophobicContact CG2-CD1 4.36Å; T745-I886 HydrophobicContact CG2-CG1 4.28Å; A882-I886 VanDerWaalsContact O-CD1 3.26Å; A882-I886 WeakPolarHBondContact O-CD1 3.37Å; A882-I886 WeakPolarHBondContact O-CG1 3.47Å; A882-I886 PolarHBondContact O-N 3.19Å; M883-I886 PolarHBondContact O-N 3.23Å; I886-A889 PolarHBondContact O-N 3.02Å; I886-K890 WeakPolarHBondContact O-CB 3.41Å; I886-K890 PolarHBondContact O-N 3.18Å
887Q72.6Confident73.9Confident62 Ų6220.3 Ų20.329%0.2911%0.114SC..Hα-helixtrans-67.7-42.2-179.3-177.554.452.300111.9M883 S884 A889 K890 N891M883-Q887 WeakPolarHBondContact O-CB 3.4Å; M883-Q887 PolarHBondContact O-N 2.83Å; S884-Q887 PolarHBondContact O-N 3.35Å; Q887-A889 VanDerWaalsContact C-N 3.34Å; Q887-K890 VanDerWaalsContact NE2-CE 3.32Å; Q887-K890 PolarHBondContact O-N 3.3Å; Q887-K890 VanDerWaalsContact OE1-CE 3.26Å; Q887-N891 PolarHBondContact NE2-ND2 2.82Å; Q887-N891 PolarHBondContact NE2-OD1 2.84Å; Q887-N891 WeakPolarHBondContact O-CB 3.38Å; Q887-N891 VanDerWaalsContact O-CG 3.31Å; Q887-N891 PolarHBondContact O-N 3.07Å
888A76.7Confident76Confident4 Ų418.3 Ų18.33%0.03311%0.105CC..Hα-helixtrans-62.7-41.1171.900000111.3Q804 L805 S884 N891 L892Q804-A888 HydrophobicContact CB-CB 4.22Å; L805-A888 HydrophobicContact CB-CB 4.28Å; L805-A888 HydrophobicContact CD1-CB 3.93Å; S884-A888 VanDerWaalsContact O-CB 3.25Å; S884-A888 WeakPolarHBondContact O-CB 3.41Å; S884-A888 PolarHBondContact O-N 3.14Å; A888-N891 PolarHBondContact O-N 3.23Å; A888-L892 VanDerWaalsContact O-CB 3.31Å; A888-L892 WeakPolarHBondContact O-CB 3.49Å; A888-L892 PolarHBondContact O-N 2.84Å
889A83.8Confident78Confident0 Ų016.7 Ų16.70%010%0.095CC..Hα-helixtrans-64.6-39.2175.600000112.3F706 M738 T742 L805 L885 I886 Q887 L892 M893F706-A889 HydrophobicContact CD2-CB 4.2Å; F706-A889 HydrophobicContact CE2-CB 3.91Å; M738-A889 HydrophobicContact CB-CB 4.45Å; M738-A889 HydrophobicContact CG-CB 4.33Å; M738-A889 HydrophobicContact SD-CB 4.36Å; M738-A889 VanDerWaalsContact SD-O 3.36Å; T742-A889 HydrophobicContact CG2-CB 4.23Å; L805-A889 HydrophobicContact CD1-CB 3.99Å; L885-A889 VanDerWaalsContact O-CB 3.25Å; L885-A889 WeakPolarHBondContact O-CB 3.44Å; L885-A889 PolarHBondContact O-N 3.18Å; I886-A889 PolarHBondContact O-N 3.02Å; Q887-A889 VanDerWaalsContact C-N 3.34Å; A889-L892 PolarHBondContact O-N 3.36Å; A889-M893 WeakPolarHBondContact O-CB 3.26Å; A889-M893 PolarHBondContact O-N 3.42Å
890K85.6Confident79.9Confident34 Ų3416.5 Ų16.515%0.1489%0.094CC..Hα-helixtrans-62.7-49.3175.3-176.9179.381.4-168.10111.6S705 F706 E709 I886 Q887 L892 M893 N894S705-K890 WeakPolarHBondContact OG-CD 3.43Å; S705-K890 PolarHBondContact OG-NZ 2.85Å; F706-K890 HydrophobicContact CB-CB 4.3Å; F706-K890 HydrophobicContact CD2-CB 4.14Å; E709-K890 HydrophobicContact CB-CG 4.44Å; E709-K890 HydrophobicContact CG-CG 3.85Å; I886-K890 WeakPolarHBondContact O-CB 3.41Å; I886-K890 PolarHBondContact O-N 3.18Å; Q887-K890 VanDerWaalsContact NE2-CE 3.32Å; Q887-K890 PolarHBondContact O-N 3.3Å; Q887-K890 VanDerWaalsContact OE1-CE 3.26Å; K890-L892 VanDerWaalsContact C-N 3.31Å; K890-L892 PolarHBondContact O-N 2.91Å; K890-M893 WeakPolarHBondContact O-CB 3.34Å; K890-M893 PolarHBondContact O-N 3.22Å; K890-N894 PolarHBondContact O-N 3.49Å
891N80.3Confident81.6Confident42 Ų4220.9 Ų20.923%0.22511%0.112CC..Hα-helixtrans-61.6-41.1178.1-75.2-13000111.7Y801 Q887 A888 N894 A895Y801-N891 HydrophobicContact CD1-CB 3.64Å; Y801-N891 VanDerWaalsContact CD2-C 3.43Å; Y801-N891 HydrophobicContact CD2-CB 3.81Å; Y801-N891 VanDerWaalsContact CD2-O 3.31Å; Y801-N891 WeakPolarHBondContact CD2-O 3.46Å; Y801-N891 HydrophobicContact CE1-CB 3.59Å; Y801-N891 HydrophobicContact CE2-CB 3.73Å; Y801-N891 WeakPolarHBondContact CE2-O 3.21Å; Y801-N891 HydrophobicContact CG-CB 3.77Å; Q887-N891 PolarHBondContact NE2-ND2 2.82Å; Q887-N891 PolarHBondContact NE2-OD1 2.84Å; Q887-N891 WeakPolarHBondContact O-CB 3.38Å; Q887-N891 VanDerWaalsContact O-CG 3.31Å; Q887-N891 PolarHBondContact O-N 3.07Å; A888-N891 PolarHBondContact O-N 3.23Å; N891-N894 PolarHBondContact O-N 3.42Å; N891-A895 PolarHBondContact O-N 3.19Å; N891-A895 VanDerWaalsContact O-N 3.1Å
892L90.5Very high82.8Confident0 Ų020.2 Ų20.20%011%0.109CC..Hα-helixtrans-64.5-42.8174.2-176.655.9000111.8M734 M738 I764 I798 L805 A888 A889 K890 N894 A895 V896M734-L892 HydrophobicContact CE-CD1 4.08Å; M734-L892 HydrophobicContact CE-CD2 4.21Å; M734-L892 HydrophobicContact CE-CG 4.34Å; M738-L892 HydrophobicContact CE-CD2 4.49Å; M738-L892 HydrophobicContact CE-CG 4.26Å; M738-L892 HydrophobicContact SD-CB 3.83Å; M738-L892 HydrophobicContact SD-CD2 3.72Å; M738-L892 HydrophobicContact SD-CG 3.74Å; I764-L892 HydrophobicContact CG2-CD2 3.45Å; I764-L892 VanDerWaalsContact CG2-CD2 3.45Å; I798-L892 HydrophobicContact CB-CD1 4.32Å; I798-L892 HydrophobicContact CG1-CD1 4.3Å; I798-L892 HydrophobicContact CG2-CD1 4.11Å; L805-L892 HydrophobicContact CD2-CD2 4.1Å; A888-L892 VanDerWaalsContact O-CB 3.31Å; A888-L892 WeakPolarHBondContact O-CB 3.49Å; A888-L892 PolarHBondContact O-N 2.84Å; A889-L892 PolarHBondContact O-N 3.36Å; K890-L892 VanDerWaalsContact C-N 3.31Å; K890-L892 PolarHBondContact O-N 2.91Å; L892-N894 VanDerWaalsContact C-N 3.35Å; L892-N894 PolarHBondContact O-N 2.86Å; L892-A895 PolarHBondContact O-N 2.95Å; L892-V896 HydrophobicContact CD1-CG2 4.21Å; L892-V896 HydrophobicContact CG-CG2 4.42Å; L892-V896 VanDerWaalsContact O-CG2 3.3Å; L892-V896 WeakPolarHBondContact O-CG2 3.41Å; L892-V896 PolarHBondContact O-N 3.46Å
893M90.3Very high83.9Confident0 Ų020 Ų200%011%0.107CC..Hα-helixtrans-55.9-48.8176.5-168.468.770.600111.3F706 E709 K710 L713 C735 M738 A889 K890 A895 V896 V897F706-M893 HydrophobicContact CE1-CE 4.32Å; F706-M893 HydrophobicContact CE2-CB 4.32Å; F706-M893 HydrophobicContact CE2-CE 3.46Å; F706-M893 VanDerWaalsContact CE2-CE 3.46Å; F706-M893 HydrophobicContact CZ-CE 3.3Å; E709-M893 HydrophobicContact CB-CB 4.27Å; E709-M893 HydrophobicContact CB-CG 4.07Å; K710-M893 HydrophobicContact CB-CE 4.26Å; K710-M893 HydrophobicContact CG-CE 4.31Å; L713-M893 HydrophobicContact CB-SD 4.11Å; L713-M893 HydrophobicContact CD2-SD 3.33Å; L713-M893 WeakPolarHBondContact CD2-SD 3.43Å; L713-M893 HydrophobicContact CG-SD 4.34Å; C735-M893 HydrophobicContact CB-CE 4.33Å; C735-M893 HydrophobicContact CB-SD 4.3Å; M738-M893 HydrophobicContact CB-CE 4.08Å; M738-M893 HydrophobicContact CE-CB 4.43Å; M738-M893 HydrophobicContact CE-CE 3.65Å; M738-M893 HydrophobicContact CE-SD 3.85Å; M738-M893 HydrophobicContact SD-CE 4.17Å; A889-M893 WeakPolarHBondContact O-CB 3.26Å; A889-M893 PolarHBondContact O-N 3.42Å; K890-M893 WeakPolarHBondContact O-CB 3.34Å; K890-M893 PolarHBondContact O-N 3.22Å; M893-A895 PolarHBondContact O-N 2.77Å; M893-V896 PolarHBondContact O-N 2.94Å; M893-V897 WeakPolarHBondContact O-CG2 3.43Å; M893-V897 PolarHBondContact O-N 3.33Å
894N88.4Confident84.7Confident47 Ų4722.5 Ų22.525%0.25112%0.115SC..Hα-helixtrans-60.8-43.4177.3-175.5-67.8000112.4E709 K890 N891 L892 V896 V897 S898E709-N894 WeakPolarHBondContact OE2-CB 3.33Å; E709-N894 PolarHBondContact OE2-ND2 3.47Å; K890-N894 PolarHBondContact O-N 3.49Å; N891-N894 PolarHBondContact O-N 3.42Å; L892-N894 VanDerWaalsContact C-N 3.35Å; L892-N894 PolarHBondContact O-N 2.86Å; N894-V896 VanDerWaalsContact C-N 3.34Å; N894-V896 PolarHBondContact O-N 3.18Å; N894-V897 PolarHBondContact O-N 3.3Å; N894-S898 PolarHBondContact O-N 3.11Å; N894-S898 PolarHBondContact O-OG 3.47Å
895A88.7Confident85.3Confident0 Ų022.9 Ų22.90%012%0.115CC..Hα-helixtrans-63.5-38.9177.100000112.1R797 I798 Y801 N891 L892 M893 S898 T899R797-A895 HydrophobicContact CB-CB 3.97Å; I798-A895 HydrophobicContact CG1-CB 3.85Å; Y801-A895 HydrophobicContact CD2-CB 4.04Å; Y801-A895 HydrophobicContact CE2-CB 4.31Å; N891-A895 PolarHBondContact O-N 3.19Å; N891-A895 VanDerWaalsContact O-N 3.1Å; L892-A895 PolarHBondContact O-N 2.95Å; M893-A895 PolarHBondContact O-N 2.77Å; A895-S898 PolarHBondContact O-N 3.26Å; A895-T899 WeakPolarHBondContact O-CB 3.36Å; A895-T899 PolarHBondContact O-N 3.09Å; A895-T899 PolarHBondContact O-OG1 2.99Å
896V92.3Very high85.3Confident0 Ų022.7 Ų22.70%011%0.114CC..Hα-helixtrans-64.6-44174.7172.60000111.1L713 A731 M734 M771 I798 L892 M893 N894 S898 T899 V900L713-V896 HydrophobicContact CD1-CG1 4.11Å; L713-V896 HydrophobicContact CD2-CG1 4.21Å; A731-V896 HydrophobicContact CB-CG1 3.74Å; M734-V896 HydrophobicContact CE-CG2 3.78Å; M734-V896 HydrophobicContact SD-CG2 4.25Å; M771-V896 HydrophobicContact CE-CG1 4.16Å; M771-V896 HydrophobicContact SD-CG1 4.36Å; M771-V896 HydrophobicContact SD-CG2 4.49Å; I798-V896 HydrophobicContact CD1-CG2 4.07Å; I798-V896 HydrophobicContact CG1-CG2 4.29Å; L892-V896 HydrophobicContact CD1-CG2 4.21Å; L892-V896 HydrophobicContact CG-CG2 4.42Å; L892-V896 VanDerWaalsContact O-CG2 3.3Å; L892-V896 WeakPolarHBondContact O-CG2 3.41Å; L892-V896 PolarHBondContact O-N 3.46Å; M893-V896 PolarHBondContact O-N 2.94Å; N894-V896 VanDerWaalsContact C-N 3.34Å; N894-V896 PolarHBondContact O-N 3.18Å; V896-S898 VanDerWaalsContact C-N 3.34Å; V896-S898 PolarHBondContact O-N 3.26Å; V896-T899 PolarHBondContact O-N 3Å; V896-V900 WeakPolarHBondContact O-CG2 3.32Å; V896-V900 PolarHBondContact O-N 3.05Å
897V88.8Confident85.3Confident7 Ų723.7 Ų23.74%0.04212%0.121CC..Hα-helixtrans-56.3-50.2175.2176.40000111.1L713 M893 N894 T899 V900 K901L713-V897 HydrophobicContact CB-CG2 3.47Å; L713-V897 VanDerWaalsContact CB-CG2 3.47Å; L713-V897 HydrophobicContact CD1-CB 4.27Å; L713-V897 HydrophobicContact CD1-CG2 3.57Å; L713-V897 HydrophobicContact CG-CG2 4.05Å; M893-V897 WeakPolarHBondContact O-CG2 3.43Å; M893-V897 PolarHBondContact O-N 3.33Å; N894-V897 PolarHBondContact O-N 3.3Å; V897-T899 VanDerWaalsContact C-N 3.33Å; V897-T899 PolarHBondContact O-N 3.05Å; V897-V900 PolarHBondContact O-N 2.95Å; V897-K901 HydrophobicContact CG1-CD 4.37Å; V897-K901 PolarHBondContact O-N 3.02Å; V897-K901 VanDerWaalsContact O-N 3.14Å
898S89.8Confident85.4Confident24 Ų2423 Ų2317%0.16812%0.121CC..Hα-helixtrans-65-39.4-177.4-57.50000111.4Y794 N894 A895 V896 K901 A902Y794-S898 VanDerWaalsContact CD1-CB 3.44Å; N894-S898 PolarHBondContact O-N 3.11Å; N894-S898 PolarHBondContact O-OG 3.47Å; A895-S898 PolarHBondContact O-N 3.26Å; V896-S898 VanDerWaalsContact C-N 3.34Å; V896-S898 PolarHBondContact O-N 3.26Å; S898-K901 PolarHBondContact O-N 3.31Å; S898-A902 VanDerWaalsContact O-CB 3.31Å; S898-A902 WeakPolarHBondContact O-CB 3.22Å; S898-A902 PolarHBondContact O-N 3.43Å
899T90.2Very high85Confident0 Ų027.2 Ų27.20%014%0.139CC..Hα-helixtrans-63.6-43.6175.7-61.40000112.3M771 L791 Y794 L795 I798 A895 V896 V897 A902 S903M771-T899 HydrophobicContact CG-CG2 4.33Å; M771-T899 HydrophobicContact SD-CG2 4.13Å; L791-T899 HydrophobicContact CD1-CG2 4.29Å; Y794-T899 WeakPolarHBondContact CB-OG1 3.32Å; L795-T899 HydrophobicContact CD2-CG2 3.52Å; L795-T899 HydrophobicContact CG-CG2 4.43Å; I798-T899 HydrophobicContact CD1-CG2 3.9Å; I798-T899 WeakPolarHBondContact CD1-OG1 3.48Å; A895-T899 WeakPolarHBondContact O-CB 3.36Å; A895-T899 PolarHBondContact O-N 3.09Å; A895-T899 PolarHBondContact O-OG1 2.99Å; V896-T899 PolarHBondContact O-N 3Å; V897-T899 VanDerWaalsContact C-N 3.33Å; V897-T899 PolarHBondContact O-N 3.05Å; T899-A902 PolarHBondContact O-N 3.24Å; T899-S903 WeakPolarHBondContact O-CB 3.5Å; T899-S903 PolarHBondContact O-N 3.49Å; T899-S903 PolarHBondContact O-OG 2.99Å
900V90.3Very high83.7Confident0 Ų031.7 Ų31.70%016%0.156CC..Hα-helixtrans-60.7-46.71771700000110.6E716 I727 I728 A731 V896 V897 S903 Y904 W926E716-V900 HydrophobicContact CG-CG1 4.24Å; I727-V900 HydrophobicContact CG2-CG2 4.04Å; I728-V900 HydrophobicContact CD1-CG1 3.57Å; A731-V900 HydrophobicContact CB-CG2 3.75Å; V896-V900 WeakPolarHBondContact O-CG2 3.32Å; V896-V900 PolarHBondContact O-N 3.05Å; V897-V900 PolarHBondContact O-N 2.95Å; V900-S903 PolarHBondContact O-N 3.06Å; V900-Y904 PolarHBondContact O-N 3.22Å; V900-Y904 VanDerWaalsContact O-N 3.13Å; V900-W926 HydrophobicContact CG1-CH2 4.15Å; V900-W926 HydrophobicContact CG1-CZ3 4.3Å; V900-W926 WeakPolarHBondContact O-CH2 3.38Å
901K88.6Confident82.1Confident96 Ų9637.8 Ų37.842%0.41719%0.185SC..Hα-helixtrans-62.2-50.1177.9-71.2178.5178.5177.80112E716 V897 S898 S903 Y904 V905E716-K901 HydrophobicContact CG-CG 3.86Å; E716-K901 WeakPolarHBondContact OE2-CE 3.36Å; V897-K901 HydrophobicContact CG1-CD 4.37Å; V897-K901 PolarHBondContact O-N 3.02Å; V897-K901 VanDerWaalsContact O-N 3.14Å; S898-K901 PolarHBondContact O-N 3.31Å; K901-S903 VanDerWaalsContact C-N 3.33Å; K901-S903 PolarHBondContact O-N 2.94Å; K901-Y904 PolarHBondContact O-N 3.32Å; K901-V905 WeakPolarHBondContact O-CG2 3.11Å; K901-V905 PolarHBondContact O-N 3.4Å; K901-V905 VanDerWaalsContact O-N 3.1Å
902A86.7Confident80.6Confident12 Ų1245.1 Ų45.110%0.09922%0.215CC..Hα-helixtrans-64.6-37.5-179.200000111.9L791 Y794 S898 T899 Y904 V905 A906L791-A902 HydrophobicContact CB-CB 4.16Å; L791-A902 HydrophobicContact CD1-CB 3.99Å; Y794-A902 HydrophobicContact CD2-CB 3.95Å; Y794-A902 HydrophobicContact CE2-CB 4.27Å; S898-A902 VanDerWaalsContact O-CB 3.31Å; S898-A902 WeakPolarHBondContact O-CB 3.22Å; S898-A902 PolarHBondContact O-N 3.43Å; T899-A902 PolarHBondContact O-N 3.24Å; A902-Y904 VanDerWaalsContact C-N 3.34Å; A902-Y904 PolarHBondContact O-N 3.31Å; A902-V905 PolarHBondContact O-N 3.42Å; A902-A906 VanDerWaalsContact O-CB 3.31Å; A902-A906 WeakPolarHBondContact O-CB 3.49Å; A902-A906 PolarHBondContact O-N 3.05Å
903S84.8Confident78.4Confident0 Ų051.3 Ų51.30%025%0.248CC..Hα-helixtrans-63.6-39.1176.4-62.20000112L791 T899 V900 K901 S907L791-S903 WeakPolarHBondContact CD1-OG 3.4Å; T899-S903 WeakPolarHBondContact O-CB 3.5Å; T899-S903 PolarHBondContact O-N 3.49Å; T899-S903 PolarHBondContact O-OG 2.99Å; V900-S903 PolarHBondContact O-N 3.06Å; K901-S903 VanDerWaalsContact C-N 3.33Å; K901-S903 PolarHBondContact O-N 2.94Å; S903-S907 VanDerWaalsContact O-CB 3.27Å; S903-S907 WeakPolarHBondContact O-CB 3.37Å; S903-S907 PolarHBondContact O-N 3.28Å; S903-S907 PolarHBondContact O-OG 3.08Å
904Y85.8Confident76.2Confident83 Ų8361 Ų6133%0.32529%0.291SS..Hα-helixtrans-62.4-52.9172.5170-113.6000111W720 V900 K901 A902 A906 S907 T908 W926W720-Y904 HydrophobicContact CH2-CD1 4.02Å; W720-Y904 AromaticContact CH2-CD2 3.41Å; W720-Y904 HydrophobicContact CH2-CD2 3.41Å; W720-Y904 VanDerWaalsContact CH2-CD2 3.41Å; W720-Y904 AromaticContact CH2-CE1 3.88Å; W720-Y904 HydrophobicContact CH2-CE1 3.88Å; W720-Y904 AromaticContact CH2-CE2 3.26Å; W720-Y904 HydrophobicContact CH2-CE2 3.26Å; W720-Y904 AromaticContact CH2-CG 3.79Å; W720-Y904 HydrophobicContact CH2-CG 3.79Å; W720-Y904 AromaticContact CH2-CZ 3.51Å; W720-Y904 AromaticContact CZ2-CD1 3.9Å; W720-Y904 HydrophobicContact CZ2-CD1 3.9Å; W720-Y904 AromaticContact CZ2-CD2 3.85Å; W720-Y904 HydrophobicContact CZ2-CD2 3.85Å; W720-Y904 HydrophobicContact CZ2-CE1 4.12Å; W720-Y904 HydrophobicContact CZ2-CE2 4.09Å; W720-Y904 AromaticContact CZ2-CG 3.75Å; W720-Y904 HydrophobicContact CZ2-CG 3.75Å; W720-Y904 HydrophobicContact CZ3-CD2 4.01Å; W720-Y904 AromaticContact CZ3-CE2 3.85Å; W720-Y904 HydrophobicContact CZ3-CE2 3.85Å; V900-Y904 PolarHBondContact O-N 3.22Å; V900-Y904 VanDerWaalsContact O-N 3.13Å; K901-Y904 PolarHBondContact O-N 3.32Å; A902-Y904 VanDerWaalsContact C-N 3.34Å; A902-Y904 PolarHBondContact O-N 3.31Å; Y904-A906 VanDerWaalsContact C-N 3.34Å; Y904-A906 PolarHBondContact O-N 3.42Å; Y904-S907 PolarHBondContact O-N 2.82Å; Y904-S907 VanDerWaalsContact O-N 3.1Å; Y904-S907 PolarHBondContact O-OG 3.32Å; Y904-T908 HydrophobicContact CD2-CG2 3.99Å; Y904-T908 HydrophobicContact CE1-CG2 4.24Å; Y904-T908 HydrophobicContact CE2-CG2 3.42Å; Y904-T908 VanDerWaalsContact CE2-CG2 3.42Å; Y904-T908 WeakPolarHBondContact O-CG2 3.39Å; Y904-T908 PolarHBondContact O-N 3.02Å; Y904-W926 HydrophobicContact CD2-CB 4.05Å; Y904-W926 AromaticContact CD2-CD2 3.77Å; Y904-W926 HydrophobicContact CD2-CD2 3.77Å; Y904-W926 AromaticContact CD2-CE3 3.85Å; Y904-W926 HydrophobicContact CD2-CE3 3.85Å; Y904-W926 AromaticContact CD2-CG 3.86Å; Y904-W926 HydrophobicContact CD2-CG 3.86Å; Y904-W926 HydrophobicContact CE2-CB 4.31Å; Y904-W926 HydrophobicContact CG-CD2 4.4Å; Y904-W926 HydrophobicContact CG-CE3 4.24Å
905V83.5Confident73.8Confident64 Ų6466.7 Ų66.739%0.38832%0.321SS..Hα-helixtrans-56.5-49.6-179.2179.40000110.6K901 A902 S907 T908 K909K901-V905 WeakPolarHBondContact O-CG2 3.11Å; K901-V905 PolarHBondContact O-N 3.4Å; K901-V905 VanDerWaalsContact O-N 3.1Å; A902-V905 PolarHBondContact O-N 3.42Å; V905-S907 VanDerWaalsContact C-N 3.31Å; V905-S907 PolarHBondContact O-N 2.97Å; V905-T908 PolarHBondContact O-N 3.45Å; V905-T908 VanDerWaalsContact O-N 3.16Å; V905-T908 PolarHBondContact O-OG1 2.86Å; V905-K909 WeakPolarHBondContact O-CG 3.46Å; V905-K909 PolarHBondContact O-N 3.23Å
906A78.6Confident71.7Confident1 Ų175.7 Ų75.71%0.00837%0.365CS..Hα-helixtrans-58.6-41177.600000112.4I778 C782 C787 L791 A902 Y904 T908 K909I778-A906 HydrophobicContact CG2-CB 3.69Å; C782-A906 HydrophobicContact CB-CB 4.21Å; C787-A906 VanDerWaalsContact SG-CA 3.56Å; C787-A906 PolarHBondContact SG-N 2.93Å; L791-A906 HydrophobicContact CD2-CB 3.82Å; A902-A906 VanDerWaalsContact O-CB 3.31Å; A902-A906 WeakPolarHBondContact O-CB 3.49Å; A902-A906 PolarHBondContact O-N 3.05Å; Y904-A906 VanDerWaalsContact C-N 3.34Å; Y904-A906 PolarHBondContact O-N 3.42Å; A906-T908 PolarHBondContact O-N 2.94Å; A906-K909 PolarHBondContact O-N 3.48Å
907S75.9Confident69Low21 Ų2184.9 Ų84.915%0.14741%0.408CS..Hα-helixtrans-69-26.8178.4760000114.4S903 Y904 V905 Y910 W926S903-S907 VanDerWaalsContact O-CB 3.27Å; S903-S907 WeakPolarHBondContact O-CB 3.37Å; S903-S907 PolarHBondContact O-N 3.28Å; S903-S907 PolarHBondContact O-OG 3.08Å; Y904-S907 PolarHBondContact O-N 2.82Å; Y904-S907 VanDerWaalsContact O-N 3.1Å; Y904-S907 PolarHBondContact O-OG 3.32Å; V905-S907 VanDerWaalsContact C-N 3.31Å; V905-S907 PolarHBondContact O-N 2.97Å; S907-Y910 WeakPolarHBondContact O-CB 3.4Å; S907-W926 PolarHBondContact OG-NE1 2.93Å
908T73.4Confident66.4Low48 Ų4889.3 Ų89.329%0.29445%0.446SS..Hα-helixtrans-76.7-27.2176.2620000112.7Y904 V905 A906 Y910 Q911Y904-T908 HydrophobicContact CD2-CG2 3.99Å; Y904-T908 HydrophobicContact CE1-CG2 4.24Å; Y904-T908 HydrophobicContact CE2-CG2 3.42Å; Y904-T908 VanDerWaalsContact CE2-CG2 3.42Å; Y904-T908 WeakPolarHBondContact O-CG2 3.39Å; Y904-T908 PolarHBondContact O-N 3.02Å; V905-T908 PolarHBondContact O-N 3.45Å; V905-T908 VanDerWaalsContact O-N 3.16Å; V905-T908 PolarHBondContact O-OG1 2.86Å; A906-T908 PolarHBondContact O-N 2.94Å; T908-Y910 PolarHBondContact O-N 2.95Å; T908-Q911 PolarHBondContact O-N 3.27Å
909K69.4Low64.1Low93 Ų9396.7 Ų96.740%0.40448%0.482SS..Hα-helixtrans-70.4-20.3176-61.4-74.8-176.31460112.2D784 V905 A906D784-K909 IonicContact OD2-NZ 3.98Å; D784-K909 PolarHBondContact OD2-NZ 3Å; V905-K909 WeakPolarHBondContact O-CG 3.46Å; V905-K909 PolarHBondContact O-N 3.23Å; A906-K909 PolarHBondContact O-N 3.48Å
910Y56.7Low61.9Low93 Ų93103.5 Ų103.537%0.36552%0.518SS..Hα-helixtrans-70.4-40.7174.1172.9-99.3000113.5L781 S907 T908 K912L781-Y910 HydrophobicContact CB-CD2 4.04Å; L781-Y910 HydrophobicContact CB-CE2 4.38Å; L781-Y910 HydrophobicContact CD1-CE2 4.42Å; L781-Y910 HydrophobicContact CD2-CE2 4.39Å; S907-Y910 WeakPolarHBondContact O-CB 3.4Å; T908-Y910 PolarHBondContact O-N 2.95Å; Y910-K912 PolarHBondContact O-N 3.38Å; Y910-K912 VanDerWaalsContact O-N 3.11Å
911Q51.7Low59.8Low162 Ų162111.8 Ų111.876%0.75756%0.56SS**THydrogen-bonded Turntrans-68.9-11.3-171.3-87.1-179.4-29.800115.4T908T908-Q911 PolarHBondContact O-N 3.27Å
912K47.8Very low58Low197 Ų197110.2 Ų110.286%0.85756%0.559SS**THydrogen-bonded Turntrans-91.1-3.9-173.4-114.8-177.5-179.6-177.40115.4Y910Y910-K912 PolarHBondContact O-N 3.38Å; Y910-K912 VanDerWaalsContact O-N 3.11Å
913N44.4Very low56.4Low129 Ų129113 Ų11369%0.6958%0.582SS**SBendtrans-1329.1-161.5-128.89.2000120
914K44.4Very low55.3Low204 Ų204113.2 Ų113.289%0.88758%0.583SS**  trans-146.6122.3167.9-73-167.6176.9178.60113.6
915N39.1Very low54.6Low167 Ų167110.9 Ų110.989%0.89358%0.579SS**  trans-60.5147162.3-77.8-24.2000110.2E917N915-E917 PolarHBondContact O-N 2.88Å
916M43.8Very low54.2Low189 Ų189110 Ų11093%0.93157%0.569SS**  trans-45.1126.7-176.1-74.9169.373.800114.2
917E36Very low54Low193 Ų193117.4 Ų117.490%0.90260%0.596SS**  trans-170.6141.1131.7-106.3172-171.800111N915N915-E917 PolarHBondContact O-N 2.88Å
918A34.3Very low53.9Low100 Ų100123.5 Ų123.583%0.82662%0.624SS**SBendtrans73.5116.8-177.900000117.8N920A918-N920 PolarHBondContact O-N 2.76Å
919L40.1Very low53.6Low178 Ų178125.3 Ų125.393%0.93263%0.628SS**  trans-44.4101174.4-75.2129000113.5
920N44.2Very low52.9Low143 Ų143124.8 Ų124.877%0.76564%0.642SS**  trans-146.291.9150.9-111.4-10.7000107.6A918A918-N920 PolarHBondContact O-N 2.76Å
921M46.3Very low52.5Low175 Ų175125.6 Ų125.686%0.86266%0.658SS**  trans-56.6141.8167.1-70.9-118.4-129.300108.4A923M921-A923 PolarHBondContact O-N 2.9Å
922P50.6Low52.4Low63 Ų63126.2 Ų126.241%0.40966%0.661SS.*  trans-54.5137.1171.224.2-32.5000108.8V924P922-V924 PolarHBondContact O-N 3.34Å
923A53.5Low52.2Low69 Ų69124.8 Ų124.857%0.5766%0.655SS**SBendtrans-56.4-18.2-176.100000113.5L774 M921L774-A923 HydrophobicContact CD2-CB 4.25Å; M921-A923 PolarHBondContact O-N 2.9Å
924V61.9Low52.4Low5 Ų5126.5 Ų126.53%0.0366%0.656CS.*SBendtrans-133.9138173.2-65.40000110.7D726 I727 L774 I778 P922D726-V924 HydrophobicContact CB-CG1 4.31Å; I727-V924 HydrophobicContact CD1-CG1 4.38Å; I727-V924 HydrophobicContact CD1-CG2 4.23Å; I727-V924 HydrophobicContact CG1-CG1 4.13Å; L774-V924 HydrophobicContact CD1-CG1 4.44Å; L774-V924 HydrophobicContact CD2-CG1 4.41Å; I778-V924 HydrophobicContact CD1-CG2 3.62Å; I778-V924 HydrophobicContact CG1-CG2 4.36Å; P922-V924 PolarHBondContact O-N 3.34Å
925S70.1Confident51.9Low35 Ų35122 Ų12225%0.24565%0.648CS.*  trans-103.9125.2177.674.30000111.6G724 N725 R927G724-S925 PolarHBondContact O-N 3.32Å; G724-S925 PolarHBondContact O-OG 2.87Å; N725-S925 WeakPolarHBondContact CB-O 3.36Å; N725-S925 PolarHBondContact ND2-O 3.02Å; S925-R927 PolarHBondContact O-N 3.1Å
926W75.9Confident52Low44 Ų44121.6 Ų121.617%0.16765%0.645CS.*  trans-93.1101.4178.4-65.992000110W720 I727 I728 V900 Y904 S907W720-W926 AromaticContact CD2-CE3 3.7Å; W720-W926 HydrophobicContact CD2-CE3 3.7Å; W720-W926 AromaticContact CD2-CZ3 4Å; W720-W926 HydrophobicContact CD2-CZ3 4Å; W720-W926 AromaticContact CE2-CE3 3.95Å; W720-W926 AromaticContact CE2-CZ3 4Å; W720-W926 HydrophobicContact CE3-CB 4.47Å; W720-W926 AromaticContact CE3-CE3 3.76Å; W720-W926 HydrophobicContact CE3-CE3 3.76Å; W720-W926 HydrophobicContact CG-CE3 4.22Å; W720-W926 HydrophobicContact CG-CZ3 4.17Å; W720-W926 HydrophobicContact CH2-CE3 4.34Å; W720-W926 HydrophobicContact CZ2-CE3 4.27Å; W720-W926 HydrophobicContact CZ3-CB 4.19Å; W720-W926 HydrophobicContact CZ3-CE3 4.08Å; I727-W926 HydrophobicContact CG2-CH2 4.45Å; I728-W926 HydrophobicContact CD1-CH2 4.32Å; I728-W926 HydrophobicContact CD1-CZ3 3.91Å; I728-W926 HydrophobicContact CG1-CZ3 4.21Å; V900-W926 HydrophobicContact CG1-CH2 4.15Å; V900-W926 HydrophobicContact CG1-CZ3 4.3Å; V900-W926 WeakPolarHBondContact O-CH2 3.38Å; Y904-W926 HydrophobicContact CD2-CB 4.05Å; Y904-W926 AromaticContact CD2-CD2 3.77Å; Y904-W926 HydrophobicContact CD2-CD2 3.77Å; Y904-W926 AromaticContact CD2-CE3 3.85Å; Y904-W926 HydrophobicContact CD2-CE3 3.85Å; Y904-W926 AromaticContact CD2-CG 3.86Å; Y904-W926 HydrophobicContact CD2-CG 3.86Å; Y904-W926 HydrophobicContact CE2-CB 4.31Å; Y904-W926 HydrophobicContact CG-CD2 4.4Å; Y904-W926 HydrophobicContact CG-CE3 4.24Å; S907-W926 PolarHBondContact OG-NE1 2.93Å
927R74.9Confident51.4Low157 Ų157118.1 Ų118.159%0.59263%0.634SS**  trans-115.7130.7175.6-65.6-179.5-168.7-127.90.4109.1D721 S925D721-R927 HydrophobicContact CB-CB 3.95Å; D721-R927 PolarHBondContact N-O 3.36Å; S925-R927 PolarHBondContact O-N 3.1Å
928M72.4Confident51.2Low149 Ų149118.4 Ų118.473%0.73463%0.632SS**BIsolated β-bridgetrans-75.4138.1172.5-76.6-173.9-77.800109.9K719 W720K719-M928 WeakPolarHBondContact O-CA 3.48Å; W720-M928 HydrophobicContact CE3-CG 4.27Å; W720-M928 HydrophobicContact CH2-CG 4.42Å; W720-M928 HydrophobicContact CZ3-CG 3.84Å
929K69Low51.2Low86 Ų86124.8 Ų124.837%0.37464%0.635SS.*PPolyproline II helixtrans-63.7143.7170.6-85.6-179.9177.4-173.30110.5K719 W720 D721 D722K719-K929 PolarHBondContact O-N 3.09Å; W720-K929 WeakPolarHBondContact O-CD 3.37Å; W720-K929 WeakPolarHBondContact O-CE 3.43Å; D721-K929 HydrophobicContact CB-CG 4.02Å; D722-K929 IonicContact OD1-NZ 3.21Å; D722-K929 PolarHBondContact OD1-NZ 3.45Å
930A54.8Low50.8Low83 Ų83125.1 Ų125.169%0.68663%0.632SS**PPolyproline II helixtrans-56.4136.2171.300000109.3E932A930-E932 PolarHBondContact O-N 3.34Å
931P48.3Very low50.1Low110 Ų110128.1 Ų128.171%0.71464%0.638SS**  trans-66.6101.2-17423.7-32.1000110.9
932E48.1Very low49.3Very low174 Ų174128.2 Ų128.281%0.81364%0.636SS**  trans-67136169.2-72.5-171.4167.300110.2A930 K934A930-E932 PolarHBondContact O-N 3.34Å; E932-K934 PolarHBondContact O-N 3.04Å
933K44.5Very low48.3Very low168 Ų168132.7 Ų132.773%0.7366%0.657SS**  trans-72.594.7171.2-70.6-177.4-179.4178.20108.1S48S48-K933 PolarHBondContact OG-NZ 2.75Å
934K48.2Very low47.2Very low164 Ų164137 Ų13771%0.71367%0.67SS**  trans-59.9141.6166.5-67.2-174.4179.6-178.60109.3E932 L936E932-K934 PolarHBondContact O-N 3.04Å; K934-L936 PolarHBondContact O-N 3.23Å
935P33.5Very low45.6Very low110 Ų110139.5 Ų139.571%0.71470%0.697SS**  trans-59.2133170.424.5-30.7000109.1V937P935-V937 PolarHBondContact O-N 3.42Å
936L41.8Very low43.6Very low158 Ų158146.7 Ų146.783%0.82773%0.727SS**SBendtrans-66.7-5.2-176-98.790.2000114.2T38 K934T38-L936 HydrophobicContact CG2-CD2 4.48Å; K934-L936 PolarHBondContact O-N 3.23Å
937V29.9Very low41.2Very low117 Ų117150.3 Ų150.371%0.70975%0.754SS**SBendtrans-132.7119.2176.5-177.70000107.4P935 R939P935-V937 PolarHBondContact O-N 3.42Å; V937-R939 PolarHBondContact O-N 3.12Å
938K33.4Very low39Very low198 Ų198150.2 Ų150.286%0.86177%0.765SS**PPolyproline II helixtrans-63.1120.5162.5-89.5179.4173.3177.80106.4E940K938-E940 PolarHBondContact O-N 3.43Å
939R34Very low36.8Very low234 Ų234153.2 Ų153.288%0.88377%0.774SS**PPolyproline II helixtrans-61.2123.4156-81.7-178175.9173.7-2.1105.6V937 K941V937-R939 PolarHBondContact O-N 3.12Å; R939-K941 PolarHBondContact O-N 2.81Å
940E30.5Very low35Very low186 Ų186155.9 Ų155.987%0.86980%0.798SS**PPolyproline II helixtrans-46.1126.1164.7-80.4176.214500107.5K938 Q942K938-E940 PolarHBondContact O-N 3.43Å; E940-Q942 PolarHBondContact O-N 3.37Å; E940-Q942 VanDerWaalsContact O-N 3.13Å
941K29.5Very low33.7Very low206 Ų206161.9 Ų161.990%0.89681%0.808SS**  trans-65.7113.3164.6-81.6-176.5172.3-175.90105.2R939 D943R939-K941 PolarHBondContact O-N 2.81Å; K941-D943 PolarHBondContact O-N 3.42Å
942Q31.2Very low32.7Very low176 Ų176168.1 Ų168.182%0.82282%0.817SS**  trans-55123.1155.2-87.7177.4-38.900106.6E940 D944E940-Q942 PolarHBondContact O-N 3.37Å; E940-Q942 VanDerWaalsContact O-N 3.13Å; Q942-D944 PolarHBondContact O-N 3.29Å
943D27.8Very low31.6Very low158 Ų158165.4 Ų165.485%0.84582%0.817SS**  trans-67.3107.4171.4-161.622.2000107.4K941 G945K941-D943 PolarHBondContact O-N 3.42Å; D943-G945 PolarHBondContact O-N 3.45Å
944D31.6Very low30.9Very low159 Ų159162.7 Ų162.785%0.8582%0.82SS**  trans-81.995.2174.7-88.6-31.4000108.6Q942Q942-D944 PolarHBondContact O-N 3.29Å
945G27.3Very low30.1Very low58 Ų58164.1 Ų164.160%0.59883%0.829SS**  trans-169.487.7172.800000114.6D943D943-G945 PolarHBondContact O-N 3.45Å
946Q28Very low29.9Very low186 Ų186169 Ų16987%0.86984%0.839SS**  trans70.9135.2161-79.4169.8-37.200118.7
947T27.3Very low29.4Very low120 Ų120169.5 Ų169.574%0.73683%0.834SS**  cis-170.3137.3-17.311.60000106.4
948N27Very low29.6Very low155 Ų155172.2 Ų172.283%0.82984%0.839SS**  trans30.7108.2156-72.1-16.3000121.4
949K28.1Very low29.5Very low212 Ų212166.1 Ų166.192%0.92282%0.818SS**  -174123.4109.4-102.7171.4-177.8173.20111.2
950V31.1Very low29.3Very low142 Ų142157 Ų15786%0.86179%0.791SS**  trans-70.4123.7172.91730000110
951K25.6Very low29.6Very low208 Ų208151.8 Ų151.890%0.90477%0.773SS**  trans-154.9140.6141.5-105.4177.1-174.7-177.70109.7
952R29.1Very low29.9Very low241 Ų241144.9 Ų144.991%0.90975%0.748SS**  trans-68.3161.6-162-80.8169.6157.6172.6-6.7115.8
953S24.3Very low30Very low117 Ų117139.4 Ų139.482%0.81872%0.722SS**  trans84.7124.7171.772.60000114.2
954S29Very low30.5Very low112 Ų112134.1 Ų134.178%0.78370%0.701SS**  cis-146.8142.326.9-64.20000111.2K956S954-K956 PolarHBondContact O-N 3.37Å; S954-K956 VanDerWaalsContact O-N 3.15Å
955Q31.2Very low30.8Very low193 Ų193128.6 Ų128.690%0.90267%0.671SS**  trans-58.9111175.1-70.6171.4-25.800110.9
956K30.6Very low31.1Very low213 Ų213129.1 Ų129.193%0.92667%0.665SS**  trans-80.8121.4161.3-91.8-178.1175.7179.10108.7S954S954-K956 PolarHBondContact O-N 3.37Å; S954-K956 VanDerWaalsContact O-N 3.15Å
957K31.1Very low31.4Very low168 Ų168125.8 Ų125.873%0.7365%0.65SS**  trans-72.8139.3-163-71.9171.5175.3174.60112.3V959K957-V959 PolarHBondContact O-N 3.14Å; K957-V959 VanDerWaalsContact O-N 3.16Å
958H34.2Very low32.1Very low174 Ų174122.1 Ų122.181%0.80662%0.623SS**  trans-56.2108.5158.7174.4-69.4000109.5S960H958-S960 PolarHBondContact O-N 3.5Å; H958-S960 VanDerWaalsContact O-N 3.14Å
959V30.8Very low32.4Very low70 Ų70122.2 Ų122.242%0.42462%0.617SS.*  trans-72.6107.41761650000109.2K957 Q963K957-V959 PolarHBondContact O-N 3.14Å; K957-V959 VanDerWaalsContact O-N 3.16Å; V959-Q963 HydrophobicContact CB-CB 4.16Å; V959-Q963 HydrophobicContact CG1-CB 3.43Å; V959-Q963 VanDerWaalsContact CG1-CB 3.43Å; V959-Q963 HydrophobicContact CG2-CB 4.24Å
960S30.8Very low32.7Very low44 Ų44115.4 Ų115.431%0.30860%0.6SS.*  trans-59.2151.7167.1167.90000110H958 V962 Q963H958-S960 PolarHBondContact O-N 3.5Å; H958-S960 VanDerWaalsContact O-N 3.14Å; S960-V962 PolarHBondContact O-N 3.3Å; S960-V962 WeakPolarHBondContact OG-CB 3.37Å; S960-V962 WeakPolarHBondContact OG-CG2 3.31Å; S960-V962 PolarHBondContact OG-N 3.05Å; S960-Q963 PolarHBondContact O-N 2.83Å
961P36.5Very low33Very low76 Ų76109.8 Ų109.849%0.49456%0.564SS.*Hα-helixtrans-49.6-23.6169.3-26.734.3000114
962V35.7Very low33.4Very low60 Ų60106.3 Ų106.336%0.36456%0.556SS.*Hα-helixtrans-70.3-31.7173.6-176.20000112.8S64 S960 S966S64-V962 VanDerWaalsContact OG-CG2 3.26Å; S64-V962 WeakPolarHBondContact OG-CG2 3.41Å; S960-V962 PolarHBondContact O-N 3.3Å; S960-V962 WeakPolarHBondContact OG-CB 3.37Å; S960-V962 WeakPolarHBondContact OG-CG2 3.31Å; S960-V962 PolarHBondContact OG-N 3.05Å; V962-S966 PolarHBondContact O-N 3.3Å
963Q32.5Very low33.5Very low62 Ų6299.4 Ų99.429%0.2954%0.544SS..Hα-helixtrans-75.9-34.4179.1-116.5178-51.200112.3V959 S960 L965 S966 E967V959-Q963 HydrophobicContact CB-CB 4.16Å; V959-Q963 HydrophobicContact CG1-CB 3.43Å; V959-Q963 VanDerWaalsContact CG1-CB 3.43Å; V959-Q963 HydrophobicContact CG2-CB 4.24Å; S960-Q963 PolarHBondContact O-N 2.83Å; Q963-L965 VanDerWaalsContact C-N 3.26Å; Q963-L965 PolarHBondContact O-N 3.31Å; Q963-S966 VanDerWaalsContact CA-OG 3.25Å; Q963-S966 WeakPolarHBondContact CA-OG 3.29Å; Q963-S966 CarbonylContact O-C 3.57Å; Q963-S966 PolarHBondContact O-N 2.96Å; Q963-S966 VanDerWaalsContact O-N 3.09Å; Q963-S966 PolarHBondContact O-OG 3.11Å; Q963-E967 WeakPolarHBondContact O-CB 3.47Å; Q963-E967 WeakPolarHBondContact O-CG 3.5Å; Q963-E967 PolarHBondContact O-N 3.47Å
964A39.1Very low33.9Very low47 Ų4798.2 Ų98.239%0.38853%0.528SS..Hα-helixtrans-64.9-30.1173.900000112.7
965L36.5Very low34.2Very low42 Ų4297.6 Ų97.622%0.2252%0.515CS..Hα-helixtrans-82.3-24.4172-66.6167.7000112.5A68 Q963 F968A68-L965 HydrophobicContact CB-CB 3.77Å; A68-L965 HydrophobicContact CB-CD1 3.67Å; A68-L965 HydrophobicContact CB-CD2 3.84Å; A68-L965 HydrophobicContact CB-CG 3.94Å; Q963-L965 VanDerWaalsContact C-N 3.26Å; Q963-L965 PolarHBondContact O-N 3.31Å; L965-F968 HydrophobicContact CD2-CD2 4.48Å; L965-F968 HydrophobicContact CD2-CE2 3.97Å; L965-F968 WeakPolarHBondContact O-CB 2.95Å; L965-F968 VanDerWaalsContact O-CD2 3.28Å; L965-F968 WeakPolarHBondContact O-CD2 3.49Å
966S34.2Very low34.3Very low70 Ų7092.5 Ų92.549%0.4950%0.495SS..Hα-helixtrans-81.1-18170.676.40000113.6V962 Q963 F968V962-S966 PolarHBondContact O-N 3.3Å; Q963-S966 VanDerWaalsContact CA-OG 3.25Å; Q963-S966 WeakPolarHBondContact CA-OG 3.29Å; Q963-S966 CarbonylContact O-C 3.57Å; Q963-S966 PolarHBondContact O-N 2.96Å; Q963-S966 VanDerWaalsContact O-N 3.09Å; Q963-S966 PolarHBondContact O-OG 3.11Å; S966-F968 PolarHBondContact O-N 3.46Å
967E35.5Very low34.5Very low116 Ų11685.8 Ų85.854%0.54247%0.471SS..THydrogen-bonded Turntrans-79.510.2172.8-79.8172.2-170.500112.7Q963 K969Q963-E967 WeakPolarHBondContact O-CB 3.47Å; Q963-E967 WeakPolarHBondContact O-CG 3.5Å; Q963-E967 PolarHBondContact O-N 3.47Å; E967-K969 PolarHBondContact O-N 3.43Å
968F40.5Very low34.7Very low42 Ų4281 Ų8118%0.18446%0.456CS..G310 helixtrans-58.617.4160.2-99.8-88.3000114.2F72 K75 L965 S966 A970F72-F968 HydrophobicContact CD2-CD1 4.49Å; F72-F968 AromaticContact CD2-CE1 3.63Å; F72-F968 HydrophobicContact CD2-CE1 3.63Å; F72-F968 HydrophobicContact CD2-CZ 4.09Å; F72-F968 HydrophobicContact CE2-CE1 4.15Å; K75-F968 PolarHBondContact NZ-O 3.39Å; L965-F968 HydrophobicContact CD2-CD2 4.48Å; L965-F968 HydrophobicContact CD2-CE2 3.97Å; L965-F968 WeakPolarHBondContact O-CB 2.95Å; L965-F968 VanDerWaalsContact O-CD2 3.28Å; L965-F968 WeakPolarHBondContact O-CD2 3.49Å; S966-F968 PolarHBondContact O-N 3.46Å; F968-A970 VanDerWaalsContact C-N 3.29Å
969K34.4Very low34.8Very low158 Ų15875.2 Ų75.269%0.68743%0.434SS*.G310 helixtrans-76.2-8.8171-78.5-170.8171.3-171.20113.8E967 M971 D972E967-K969 PolarHBondContact O-N 3.43Å; K969-M971 PolarHBondContact O-N 2.97Å; K969-M971 VanDerWaalsContact O-N 3.13Å; K969-D972 PolarHBondContact O-N 3.01Å
970A34Very low35Very low68 Ų6875.5 Ų75.556%0.56243%0.434SS*.G310 helixtrans-68.1-6.6174.400000114.3F968 D972F968-A970 VanDerWaalsContact C-N 3.29Å; A970-D972 VanDerWaalsContact C-N 3.34Å
971M37Very low35.3Very low24 Ų2477.8 Ų77.812%0.11844%0.443CS..G310 helixtrans-81.9-5.8175.4-109.3174.2167.400114.2K75 I79 L139 K969 S973 I974K75-M971 HydrophobicContact CB-SD 4.01Å; K75-M971 HydrophobicContact CD-CB 4.05Å; K75-M971 HydrophobicContact CD-CG 4.38Å; K75-M971 HydrophobicContact CD-SD 3.42Å; K75-M971 WeakPolarHBondContact CD-SD 3.42Å; K75-M971 HydrophobicContact CG-SD 4.34Å; I79-M971 HydrophobicContact CD1-CE 3.91Å; L139-M971 HydrophobicContact CD2-CE 4.24Å; K969-M971 PolarHBondContact O-N 2.97Å; K969-M971 VanDerWaalsContact O-N 3.13Å; M971-S973 PolarHBondContact O-N 3.07Å; M971-I974 HydrophobicContact CE-CD1 4.32Å; M971-I974 HydrophobicContact CG-CB 4.41Å; M971-I974 HydrophobicContact CG-CD1 3.74Å; M971-I974 HydrophobicContact CG-CG1 4.25Å; M971-I974 PolarHBondContact O-N 3.12Å
972D33.8Very low35.3Very low136 Ų13677.9 Ų77.973%0.72744%0.439SS*.G310 helixtrans-72-8172.3-65.6-21000112K969 A970K969-D972 PolarHBondContact O-N 3.01Å; A970-D972 VanDerWaalsContact C-N 3.34Å
973S31.9Very low35.2Very low95 Ų9579.4 Ų79.466%0.66445%0.446SS*.G310 helixtrans-107.60.6175.8-40.60000113.8K193 M971K193-S973 WeakPolarHBondContact CE-O 3.46Å; K193-S973 PolarHBondContact NZ-O 3.5Å; M971-S973 PolarHBondContact O-N 3.07Å
974I33.3Very low35.5Very low93 Ų9381 Ų8148%0.47746%0.46SS..  trans-89.70172.7-61.3-174.1000109.7K193 M971K193-I974 VanDerWaalsContact NZ-C 3.31Å; K193-I974 VanDerWaalsContact NZ-CA 3.29Å; K193-I974 PolarHBondContact NZ-OXT 3.23Å; M971-I974 HydrophobicContact CE-CD1 4.32Å; M971-I974 HydrophobicContact CG-CB 4.41Å; M971-I974 HydrophobicContact CG-CD1 3.74Å; M971-I974 HydrophobicContact CG-CG1 4.25Å; M971-I974 PolarHBondContact O-N 3.12Å

Retrieved 974 of 974 residues in 6255.4 ms (Link to these results)

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