A0A096M0I3_POEFO Loading...

Catenin alpha-1

AlphaFold DB , UniProt , Accession A0A096M0I3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 906 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M34.1Very low47.8Very low248 Ų248106.8 Ų106.8100%1.22259%0.592SS**  094.10-72.2-175-167.600106.9
2T26.7Very low50Low119 Ų119108.5 Ų108.573%0.7359%0.588SS**  trans-100.698161.729.90000104.5I4T2-I4 PolarHBondContact O-N 2.99Å
3S31.7Very low51.9Low86 Ų86101 Ų10160%0.60155%0.546SS*.  trans-59.2119.2167.4540000107.1N5S3-N5 PolarHBondContact O-N 3.41Å
4I38.8Very low53.4Low73 Ų73100.3 Ų100.337%0.37454%0.542SS..  trans-70.286.1168-62.3173.5000106T2 T6 L86 Y148T2-I4 PolarHBondContact O-N 2.99Å; I4-T6 PolarHBondContact O-N 2.7Å; I4-T6 VanDerWaalsContact O-N 3.07Å; I4-L86 HydrophobicContact CD1-CD2 3.26Å; I4-L86 HydrophobicContact CD1-CG 3.82Å; I4-Y148 HydrophobicContact CG2-CE2 4.46Å
5N37.4Very low54.5Low137 Ų13796.5 Ų96.573%0.73353%0.525SS*.  trans-7491.5175.1-88.1-14.7000108.3S3S3-N5 PolarHBondContact O-N 3.41Å
6T44.8Very low55.5Low48 Ų48101.6 Ų101.629%0.29454%0.54SS..  trans-92.1133.3130.649.40000107I4 N8 F85 Y148I4-T6 PolarHBondContact O-N 2.7Å; I4-T6 VanDerWaalsContact O-N 3.07Å; T6-N8 PolarHBondContact O-N 3.48Å; T6-N8 VanDerWaalsContact O-N 3.16Å; T6-F85 HydrophobicContact CG2-CE1 4.35Å; T6-Y148 PolarHBondContact OG1-OH 3.09Å
7P44.3Very low56.7Low112 Ų11297.5 Ų97.573%0.72752%0.522SS*.THydrogen-bonded Turntrans-60.7123.8176.525-29.9000108.3
8N56Low57.6Low140 Ų14096.4 Ų96.475%0.74952%0.516SS*.THydrogen-bonded Turntrans89.411.8169.7-52.1-27.6000120.1T6T6-N8 PolarHBondContact O-N 3.48Å; T6-N8 VanDerWaalsContact O-N 3.16Å
9I67Low58.6Low38 Ų3893.9 Ų93.920%0.19550%0.501CS..  trans-103.4111.7168.7-59.1-178.9000110.1F11 Y148 L151 V152I9-F11 PolarHBondContact O-N 3.09Å; I9-Y148 HydrophobicContact CD1-CE1 4.13Å; I9-Y148 HydrophobicContact CG2-CE2 4.33Å; I9-L151 HydrophobicContact CG2-CB 3.97Å; I9-L151 HydrophobicContact CG2-CD1 4.07Å; I9-V152 HydrophobicContact CD1-CB 4.29Å; I9-V152 HydrophobicContact CD1-CG2 3.43Å; I9-V152 VanDerWaalsContact CD1-CG2 3.43Å
10N67.8Low59.6Low126 Ų12691.7 Ų91.767%0.67449%0.488SS*.  trans-86.893176.2-169.14.1000110.1Q260N10-Q260 PolarHBondContact O-NE2 3.14Å; N10-Q260 PolarHBondContact O-OE1 2.92Å
11F76.9Confident60.3Low48 Ų4888.2 Ų88.221%0.21147%0.468CS..  trans-96.2122.1178.6-173.9-112.8000110.9I9 W13 M144 V147 Y148 L151I9-F11 PolarHBondContact O-N 3.09Å; F11-W13 HydrophobicContact CD1-CB 4.3Å; F11-W13 HydrophobicContact CE1-CB 3.58Å; F11-W13 HydrophobicContact CE1-CG 4.3Å; F11-W13 HydrophobicContact CE2-CB 4.36Å; F11-W13 HydrophobicContact CE2-CD2 4.24Å; F11-W13 HydrophobicContact CE2-CE3 4.37Å; F11-W13 HydrophobicContact CE2-CG 4.23Å; F11-W13 HydrophobicContact CZ-CB 3.61Å; F11-W13 AromaticContact CZ-CD2 3.94Å; F11-W13 HydrophobicContact CZ-CD2 3.94Å; F11-W13 AromaticContact CZ-CE3 3.83Å; F11-W13 HydrophobicContact CZ-CE3 3.83Å; F11-W13 AromaticContact CZ-CG 3.86Å; F11-W13 HydrophobicContact CZ-CG 3.86Å; F11-M144 HydrophobicContact CE1-CB 4.45Å; F11-M144 HydrophobicContact CE1-SD 3.97Å; F11-M144 HydrophobicContact CZ-CB 3.92Å; F11-M144 HydrophobicContact CZ-CG 4.37Å; F11-M144 HydrophobicContact CZ-SD 4.07Å; F11-V147 HydrophobicContact CE2-CB 4.21Å; F11-V147 HydrophobicContact CE2-CG1 3.85Å; F11-Y148 HydrophobicContact CD2-CD2 4.43Å; F11-Y148 HydrophobicContact CG-CD2 4.4Å; F11-L151 HydrophobicContact CD2-CD1 3.85Å
12K74.4Confident62.4Low127 Ų12776.4 Ų76.455%0.55241%0.41SS*.  trans-91-4.6-169.3-64-178.5-177.4175.30115.5
13W74.4Confident64.9Low11 Ų1173 Ų734%0.04239%0.387CS..  trans-94.7137.7-170.1-63.20.5000113.1F11 P15 R21 D143 M144 V147 R194 Q260F11-W13 HydrophobicContact CD1-CB 4.3Å; F11-W13 HydrophobicContact CE1-CB 3.58Å; F11-W13 HydrophobicContact CE1-CG 4.3Å; F11-W13 HydrophobicContact CE2-CB 4.36Å; F11-W13 HydrophobicContact CE2-CD2 4.24Å; F11-W13 HydrophobicContact CE2-CE3 4.37Å; F11-W13 HydrophobicContact CE2-CG 4.23Å; F11-W13 HydrophobicContact CZ-CB 3.61Å; F11-W13 AromaticContact CZ-CD2 3.94Å; F11-W13 HydrophobicContact CZ-CD2 3.94Å; F11-W13 AromaticContact CZ-CE3 3.83Å; F11-W13 HydrophobicContact CZ-CE3 3.83Å; F11-W13 AromaticContact CZ-CG 3.86Å; F11-W13 HydrophobicContact CZ-CG 3.86Å; W13-P15 WeakPolarHBondContact O-CD 3.48Å; W13-R21 HydrophobicContact CH2-CB 4.35Å; W13-D143 VanDerWaalsContact CH2-OD2 3.24Å; W13-D143 WeakPolarHBondContact CH2-OD2 3.33Å; W13-D143 WeakPolarHBondContact CZ3-OD2 3.11Å; W13-M144 HydrophobicContact CB-CE 3.97Å; W13-M144 HydrophobicContact CB-SD 3.91Å; W13-M144 HydrophobicContact CE3-CB 4.2Å; W13-M144 HydrophobicContact CE3-CE 4.02Å; W13-M144 HydrophobicContact CE3-CG 3.64Å; W13-M144 HydrophobicContact CE3-SD 3.94Å; W13-M144 HydrophobicContact CZ3-CG 4.06Å; W13-V147 HydrophobicContact CH2-CG2 3.64Å; W13-V147 HydrophobicContact CZ2-CG2 4.14Å; W13-V147 HydrophobicContact CZ3-CG2 3.98Å; W13-R194 VanDerWaalsContact CZ2-NH2 3.28Å; W13-Q260 PolarHBondContact NE1-O 3.38Å
14D74.1Confident67.2Low91 Ų9170.5 Ų70.549%0.48737%0.372SS..  trans-81.7116171.7-178.95.6000111.4K16 S17 M144D14-K16 PolarHBondContact O-N 3.2Å; D14-K16 PolarHBondContact OD1-N 2.96Å; D14-S17 WeakPolarHBondContact O-CB 3.35Å; D14-S17 PolarHBondContact O-N 2.94Å; D14-M144 WeakPolarHBondContact O-CE 3.38Å
15P69.4Low69.2Low43 Ų4367.4 Ų67.428%0.27936%0.356SS..THydrogen-bonded Turntrans-61.4-13.7178.6-21.533.4000115W13 H137 L141W13-P15 WeakPolarHBondContact O-CD 3.48Å; P15-H137 PolarHBondContact O-NE2 3.5Å; P15-L141 HydrophobicContact CB-CD2 4.01Å
16K70.1Confident71.3Confident178 Ų17864.8 Ų64.877%0.77434%0.339SS*.THydrogen-bonded Turntrans-91.8-9.6177.1-63.1-176.8177.5-175.40113.5D14D14-K16 PolarHBondContact O-N 3.2Å; D14-K16 PolarHBondContact OD1-N 2.96Å
17S76.1Confident73Confident33 Ų3371.1 Ų71.123%0.23136%0.358CS..  trans-73138.1177.3-176.80000110.9D14 E19D14-S17 WeakPolarHBondContact O-CB 3.35Å; D14-S17 PolarHBondContact O-N 2.94Å; S17-E19 VanDerWaalsContact C-N 3.32Å; S17-E19 VanDerWaalsContact OG-CB 3.3Å; S17-E19 WeakPolarHBondContact OG-CB 3.23Å; S17-E19 PolarHBondContact OG-N 3.07Å
18L72.5Confident74.6Confident78 Ų7869.6 Ų69.641%0.40834%0.343SS..  trans-96.216.4170.9-61.5178.7000112I20 H137L18-I20 PolarHBondContact O-N 2.87Å; L18-H137 HydrophobicContact CD2-CB 3.68Å
19E77.2Confident75.7Confident49 Ų4963.3 Ų63.323%0.22931%0.309CS..  trans-65.9116.9178.7-168.7-166.8166.800110.4S17 R21 S263S17-E19 VanDerWaalsContact C-N 3.32Å; S17-E19 VanDerWaalsContact OG-CB 3.3Å; S17-E19 WeakPolarHBondContact OG-CB 3.23Å; S17-E19 PolarHBondContact OG-N 3.07Å; E19-R21 HydrophobicContact CG-CG 4.14Å; E19-R21 PolarHBondContact O-N 2.91Å; E19-R21 IonicContact OE1-NE 3.17Å; E19-R21 IonicContact OE2-CZ 2.77Å; E19-R21 VanDerWaalsContact OE2-CZ 3.25Å; E19-R21 IonicContact OE2-NE 3.19Å; E19-R21 PolarHBondContact OE2-NE 3.35Å; E19-R21 IonicContact OE2-NH2 3.62Å; E19-R21 PolarHBondContact OE2-NH2 3.42Å; E19-S263 VanDerWaalsContact OE1-CB 3.26Å; E19-S263 WeakPolarHBondContact OE1-CB 3.37Å; E19-S263 PolarHBondContact OE1-N 3.42Å; E19-S263 PolarHBondContact OE1-OG 2.92Å
20I78.6Confident76.1Confident48 Ų4867.4 Ų67.425%0.24633%0.328CS..  trans-82.2113177.3-58.9167.2000108.6L18 V25 E26 L29 T136 K199L18-I20 PolarHBondContact O-N 2.87Å; I20-V25 HydrophobicContact CB-CG1 4.49Å; I20-V25 HydrophobicContact CG1-CG1 4.21Å; I20-V25 HydrophobicContact CG2-CB 3.85Å; I20-V25 HydrophobicContact CG2-CG1 3.65Å; I20-E26 HydrophobicContact CG2-CG 3.62Å; I20-L29 HydrophobicContact CD1-CD1 3.57Å; I20-L29 HydrophobicContact CG1-CD1 4.3Å; I20-T136 HydrophobicContact CD1-CG2 4.19Å; I20-T136 HydrophobicContact CG1-CG2 4.04Å; I20-K199 WeakPolarHBondContact O-CE 3.48Å; I20-K199 PolarHBondContact O-NZ 3.48Å
21R73.9Confident76.4Confident20 Ų2064.6 Ų64.68%0.07532%0.316CS..  trans-105.5-9.8-173.7-62.9-179.7-174.41310.8114.8W13 E19W13-R21 HydrophobicContact CH2-CB 4.35Å; E19-R21 HydrophobicContact CG-CG 4.14Å; E19-R21 PolarHBondContact O-N 2.91Å; E19-R21 IonicContact OE1-NE 3.17Å; E19-R21 IonicContact OE2-CZ 2.77Å; E19-R21 VanDerWaalsContact OE2-CZ 3.25Å; E19-R21 IonicContact OE2-NE 3.19Å; E19-R21 PolarHBondContact OE2-NE 3.35Å; E19-R21 IonicContact OE2-NH2 3.62Å; E19-R21 PolarHBondContact OE2-NH2 3.42Å
22T79.1Confident76.2Confident0 Ų062.3 Ų62.30%031%0.307CS..BIsolated β-bridgetrans-124.9149.1-178.855.10000113.9A24 V25 E26 D143 E197T22-A24 PolarHBondContact O-N 3.24Å; T22-V25 PolarHBondContact O-N 3.08Å; T22-V25 VanDerWaalsContact OG1-CG2 3.25Å; T22-V25 WeakPolarHBondContact OG1-CG2 3.46Å; T22-V25 PolarHBondContact OG1-N 2.92Å; T22-E26 PolarHBondContact O-N 2.95Å; T22-D143 WeakPolarHBondContact CG2-OD1 3.32Å; T22-D143 WeakPolarHBondContact CG2-OD2 3.41Å; T22-E197 VanDerWaalsContact CA-O 3.29Å; T22-E197 WeakPolarHBondContact CA-O 3.48Å; T22-E197 HydrophobicContact CG2-CB 3.91Å
23L78.9Confident76.3Confident48 Ų4858.8 Ų58.825%0.25130%0.295SS..Hα-helixtrans-62.8-30.2172.5-67171.2000112E26 R27 E197 K199L23-E26 PolarHBondContact O-N 3.43Å; L23-R27 WeakPolarHBondContact O-CB 3.26Å; L23-R27 VanDerWaalsContact O-CG 3.28Å; L23-R27 WeakPolarHBondContact O-CG 3.22Å; L23-R27 PolarHBondContact O-N 3.19Å; L23-E197 PolarHBondContact N-O 3.16Å; L23-K199 HydrophobicContact CD2-CG 4.34Å; L23-K199 HydrophobicContact CG-CG 4.35Å
24A78.8Confident76.1Confident33 Ų3361.9 Ų61.927%0.27332%0.315SS..Hα-helixtrans-64.5-46178.200000111.7T22 E26 R27 L28 E197T22-A24 PolarHBondContact O-N 3.24Å; A24-E26 VanDerWaalsContact C-N 3.33Å; A24-E26 PolarHBondContact O-N 3.27Å; A24-R27 PolarHBondContact O-N 3.39Å; A24-L28 WeakPolarHBondContact O-CB 3.44Å; A24-L28 VanDerWaalsContact O-CG 3.24Å; A24-L28 WeakPolarHBondContact O-CG 3.37Å; A24-L28 PolarHBondContact O-N 3.05Å; A24-E197 HydrophobicContact CB-CG 4.37Å
25V81.1Confident75.8Confident8 Ų859.7 Ų59.75%0.04830%0.303CS..Hα-helixtrans-63.9-39.7177.1173.60000110.9I20 T22 L28 L29 L139 D143I20-V25 HydrophobicContact CB-CG1 4.49Å; I20-V25 HydrophobicContact CG1-CG1 4.21Å; I20-V25 HydrophobicContact CG2-CB 3.85Å; I20-V25 HydrophobicContact CG2-CG1 3.65Å; T22-V25 PolarHBondContact O-N 3.08Å; T22-V25 VanDerWaalsContact OG1-CG2 3.25Å; T22-V25 WeakPolarHBondContact OG1-CG2 3.46Å; T22-V25 PolarHBondContact OG1-N 2.92Å; V25-L28 PolarHBondContact O-N 3.46Å; V25-L29 HydrophobicContact CG1-CD1 3.81Å; V25-L29 HydrophobicContact CG1-CG 4.4Å; V25-L29 WeakPolarHBondContact O-CB 3.4Å; V25-L29 VanDerWaalsContact O-CG 3.32Å; V25-L29 WeakPolarHBondContact O-CG 3.44Å; V25-L29 PolarHBondContact O-N 3.35Å; V25-L139 HydrophobicContact CG1-CB 3.86Å; V25-L139 HydrophobicContact CG1-CD1 4.33Å; V25-L139 HydrophobicContact CG2-CB 4.17Å; V25-D143 HydrophobicContact CG2-CB 4.34Å
26E81Confident75.7Confident82 Ų8258.1 Ų58.138%0.38329%0.292SS..Hα-helixtrans-61-49.6174.8-69.4-177.1150.100112.5I20 T22 L23 A24 L28 L29 E30 K199I20-E26 HydrophobicContact CG2-CG 3.62Å; T22-E26 PolarHBondContact O-N 2.95Å; L23-E26 PolarHBondContact O-N 3.43Å; A24-E26 VanDerWaalsContact C-N 3.33Å; A24-E26 PolarHBondContact O-N 3.27Å; E26-L28 VanDerWaalsContact C-N 3.29Å; E26-L28 PolarHBondContact O-N 3.31Å; E26-L29 PolarHBondContact O-N 3.42Å; E26-E30 PolarHBondContact O-N 3.1Å; E26-K199 VanDerWaalsContact CD-CE 3.42Å; E26-K199 VanDerWaalsContact OE1-CE 3.32Å; E26-K199 WeakPolarHBondContact OE1-CE 3.4Å; E26-K199 IonicContact OE1-NZ 3.68Å; E26-K199 PolarHBondContact OE1-NZ 3.34Å; E26-K199 IonicContact OE2-NZ 2.67Å
27R80.6Confident75.7Confident181 Ų18152.5 Ų52.568%0.68327%0.273SS*.Hα-helixtrans-62.1-36.4178.4-73173.1180176.60.8112.4L23 A24 P31L23-R27 WeakPolarHBondContact O-CB 3.26Å; L23-R27 VanDerWaalsContact O-CG 3.28Å; L23-R27 WeakPolarHBondContact O-CG 3.22Å; L23-R27 PolarHBondContact O-N 3.19Å; A24-R27 PolarHBondContact O-N 3.39Å; R27-P31 VanDerWaalsContact O-CD 3.28Å; R27-P31 WeakPolarHBondContact O-CD 3.38Å
28L78.1Confident75.2Confident79 Ų7954.1 Ų54.141%0.41428%0.281SS..Hα-helixtrans-71.1-36176.6-72.3172.1000111.7A24 V25 E26 P31 F72 L139A24-L28 WeakPolarHBondContact O-CB 3.44Å; A24-L28 VanDerWaalsContact O-CG 3.24Å; A24-L28 WeakPolarHBondContact O-CG 3.37Å; A24-L28 PolarHBondContact O-N 3.05Å; V25-L28 PolarHBondContact O-N 3.46Å; E26-L28 VanDerWaalsContact C-N 3.29Å; E26-L28 PolarHBondContact O-N 3.31Å; L28-P31 WeakPolarHBondContact O-CD 3.3Å; L28-F72 WeakPolarHBondContact O-CZ 3.43Å; L28-L139 HydrophobicContact CB-CD1 4.04Å; L28-L139 HydrophobicContact CD1-CD2 4.03Å
29L79.2Confident74.7Confident8 Ų850.6 Ų50.64%0.04226%0.263CS..Hα-helixtrans-76-30.5177.7-74.5170.9000113.3I20 V25 E26 L32 V33 L132 V135 T136 L139I20-L29 HydrophobicContact CD1-CD1 3.57Å; I20-L29 HydrophobicContact CG1-CD1 4.3Å; V25-L29 HydrophobicContact CG1-CD1 3.81Å; V25-L29 HydrophobicContact CG1-CG 4.4Å; V25-L29 WeakPolarHBondContact O-CB 3.4Å; V25-L29 VanDerWaalsContact O-CG 3.32Å; V25-L29 WeakPolarHBondContact O-CG 3.44Å; V25-L29 PolarHBondContact O-N 3.35Å; E26-L29 PolarHBondContact O-N 3.42Å; L29-L32 PolarHBondContact O-N 3.49Å; L29-V33 HydrophobicContact CB-CG2 4.37Å; L29-V33 WeakPolarHBondContact O-CG2 3.33Å; L29-V33 PolarHBondContact O-N 2.86Å; L29-L132 HydrophobicContact CD2-CD1 4.2Å; L29-V135 HydrophobicContact CD2-CG1 3.87Å; L29-T136 HydrophobicContact CD1-CG2 4.09Å; L29-L139 HydrophobicContact CD1-CD1 4.47Å; L29-L139 HydrophobicContact CD2-CD1 3.7Å; L29-L139 HydrophobicContact CG-CD1 3.68Å
30E76.6Confident74.1Confident124 Ų12449.3 Ų49.358%0.57926%0.258SS*.Hα-helixtrans-52.1-45-173.1-179.6176.5-161.900114.6E26 L32 V33 T34E26-E30 PolarHBondContact O-N 3.1Å; E30-L32 PolarHBondContact O-N 3.07Å; E30-V33 PolarHBondContact O-N 3.32Å; E30-T34 VanDerWaalsContact O-CB 3.26Å; E30-T34 WeakPolarHBondContact O-CB 3.26Å; E30-T34 PolarHBondContact O-N 3.31Å; E30-T34 PolarHBondContact O-OG1 2.92Å
31P73.4Confident73Confident67 Ų6751.8 Ų51.844%0.43527%0.272SS..Hα-helixtrans-62.2-43.3176.3-22.933.6000112.6R27 L28 T34 Q35R27-P31 VanDerWaalsContact O-CD 3.28Å; R27-P31 WeakPolarHBondContact O-CD 3.38Å; L28-P31 WeakPolarHBondContact O-CD 3.3Å; P31-T34 PolarHBondContact O-N 3.44Å; P31-Q35 WeakPolarHBondContact O-CB 3.2Å; P31-Q35 WeakPolarHBondContact O-CG 3.34Å; P31-Q35 PolarHBondContact O-N 3.06Å
32L72.8Confident72Confident1 Ų153.5 Ų53.51%0.00529%0.287CS..Hα-helixtrans-67.3-45.4179.6-176.964.6000110.6L29 E30 T34 Q35 V36 V65 F72 L132 V135L29-L32 PolarHBondContact O-N 3.49Å; E30-L32 PolarHBondContact O-N 3.07Å; L32-T34 VanDerWaalsContact C-N 3.33Å; L32-T34 PolarHBondContact O-N 2.72Å; L32-Q35 PolarHBondContact O-N 2.88Å; L32-V36 HydrophobicContact CD1-CG2 4.1Å; L32-V36 HydrophobicContact CG-CG2 4.33Å; L32-V36 VanDerWaalsContact O-CB 3.26Å; L32-V36 WeakPolarHBondContact O-CB 3.37Å; L32-V36 VanDerWaalsContact O-CG2 3.26Å; L32-V36 WeakPolarHBondContact O-CG2 3.36Å; L32-V36 PolarHBondContact O-N 3.01Å; L32-V65 HydrophobicContact CD1-CG1 4.49Å; L32-F72 HydrophobicContact CB-CE2 4.35Å; L32-F72 HydrophobicContact CD2-CE2 4.2Å; L32-L132 HydrophobicContact CD2-CD1 4.26Å; L32-V135 HydrophobicContact CD2-CB 3.91Å; L32-V135 HydrophobicContact CD2-CG1 3.85Å; L32-V135 HydrophobicContact CD2-CG2 3.87Å
33V76Confident70.5Confident52 Ų5255.3 Ų55.332%0.31530%0.3SS..Hα-helixtrans-58.4-46.1174.9172.40000110.4L29 E30 T37 L132L29-V33 HydrophobicContact CB-CG2 4.37Å; L29-V33 WeakPolarHBondContact O-CG2 3.33Å; L29-V33 PolarHBondContact O-N 2.86Å; E30-V33 PolarHBondContact O-N 3.32Å; V33-T37 WeakPolarHBondContact O-CB 3.3Å; V33-T37 PolarHBondContact O-N 2.89Å; V33-T37 PolarHBondContact O-OG1 3.27Å; V33-L132 HydrophobicContact CG2-CD1 3.61Å; V33-L132 HydrophobicContact CG2-CD2 4.2Å
34T70.1Confident68.7Low76 Ų7660.5 Ų60.547%0.46633%0.328SS..Hα-helixtrans-63.7-44.6-179.7-620000111.6E30 P31 L32 T38E30-T34 VanDerWaalsContact O-CB 3.26Å; E30-T34 WeakPolarHBondContact O-CB 3.26Å; E30-T34 PolarHBondContact O-N 3.31Å; E30-T34 PolarHBondContact O-OG1 2.92Å; P31-T34 PolarHBondContact O-N 3.44Å; L32-T34 VanDerWaalsContact C-N 3.33Å; L32-T34 PolarHBondContact O-N 2.72Å; T34-T38 VanDerWaalsContact O-CB 3.29Å; T34-T38 WeakPolarHBondContact O-CB 3.45Å; T34-T38 PolarHBondContact O-N 2.98Å; T34-T38 PolarHBondContact O-OG1 3.4Å
35Q67.8Low67Low46 Ų4662.5 Ų62.522%0.21533%0.33CS..Hα-helixtrans-68.4-46.9179.9-70.6173.82700111.9P31 L32 T37 T38 L39 S64 V65P31-Q35 WeakPolarHBondContact O-CB 3.2Å; P31-Q35 WeakPolarHBondContact O-CG 3.34Å; P31-Q35 PolarHBondContact O-N 3.06Å; L32-Q35 PolarHBondContact O-N 2.88Å; Q35-T37 PolarHBondContact O-N 3.42Å; Q35-T38 PolarHBondContact O-N 2.95Å; Q35-L39 WeakPolarHBondContact O-CB 3.35Å; Q35-L39 PolarHBondContact O-N 3.36Å; Q35-S64 PolarHBondContact NE2-OG 2.95Å; Q35-S64 PolarHBondContact OE1-O 3.23Å; Q35-S64 PolarHBondContact OE1-OG 3.36Å; Q35-V65 HydrophobicContact CB-CG2 4.19Å
36V67.8Low65.2Low9 Ų965 Ų656%0.05536%0.358CS..Hα-helixtrans-59.4-47.5174166.40000110.3L32 T38 L39 V40 A128L32-V36 HydrophobicContact CD1-CG2 4.1Å; L32-V36 HydrophobicContact CG-CG2 4.33Å; L32-V36 VanDerWaalsContact O-CB 3.26Å; L32-V36 WeakPolarHBondContact O-CB 3.37Å; L32-V36 VanDerWaalsContact O-CG2 3.26Å; L32-V36 WeakPolarHBondContact O-CG2 3.36Å; L32-V36 PolarHBondContact O-N 3.01Å; V36-T38 VanDerWaalsContact C-N 3.33Å; V36-T38 PolarHBondContact O-N 2.91Å; V36-L39 PolarHBondContact O-N 3.44Å; V36-V40 HydrophobicContact CG1-CG2 4.03Å; V36-V40 VanDerWaalsContact O-CB 3.32Å; V36-V40 WeakPolarHBondContact O-CB 3.35Å; V36-V40 WeakPolarHBondContact O-CG2 3.26Å; V36-V40 PolarHBondContact O-N 2.89Å; V36-A128 HydrophobicContact CG1-CB 3.63Å; V36-A128 HydrophobicContact CG2-CB 4.26Å
37T69.6Low63.3Low60 Ų6067.5 Ų67.537%0.36838%0.382SS..Hα-helixtrans-61.6-41.5178.7-61.30000111.4V33 Q35 V40 N41V33-T37 WeakPolarHBondContact O-CB 3.3Å; V33-T37 PolarHBondContact O-N 2.89Å; V33-T37 PolarHBondContact O-OG1 3.27Å; Q35-T37 PolarHBondContact O-N 3.42Å; T37-V40 PolarHBondContact O-N 2.79Å; T37-N41 WeakPolarHBondContact CG2-ND2 3.28Å; T37-N41 WeakPolarHBondContact O-CB 3.4Å; T37-N41 PolarHBondContact O-N 2.91Å
38T65.4Low61.5Low68 Ų6862.6 Ų62.642%0.41738%0.375SS..Hα-helixtrans-63.9-41.6176.8-60.30000111.6T34 Q35 V36 L61T34-T38 VanDerWaalsContact O-CB 3.29Å; T34-T38 WeakPolarHBondContact O-CB 3.45Å; T34-T38 PolarHBondContact O-N 2.98Å; T34-T38 PolarHBondContact O-OG1 3.4Å; Q35-T38 PolarHBondContact O-N 2.95Å; V36-T38 VanDerWaalsContact C-N 3.33Å; V36-T38 PolarHBondContact O-N 2.91Å; T38-L61 HydrophobicContact CG2-CD1 4.47Å
39L63.4Low59.9Low3 Ų366.9 Ų66.92%0.01640%0.398CS..Hα-helixtrans-67.3-42177.8-171.165.4000111.4Q35 V36 S42 L61 M104 F111 M124Q35-L39 WeakPolarHBondContact O-CB 3.35Å; Q35-L39 PolarHBondContact O-N 3.36Å; V36-L39 PolarHBondContact O-N 3.44Å; L39-S42 PolarHBondContact O-OG 3.28Å; L39-L61 HydrophobicContact CD1-CB 3.87Å; L39-L61 HydrophobicContact CD1-CD1 4.08Å; L39-M104 HydrophobicContact CD2-CE 3.44Å; L39-M104 VanDerWaalsContact CD2-CE 3.44Å; L39-F111 HydrophobicContact CD1-CE1 4.31Å; L39-M124 HydrophobicContact CD1-SD 4.06Å; L39-M124 HydrophobicContact CD2-CE 4.39Å; L39-M124 HydrophobicContact CD2-CG 4.31Å; L39-M124 HydrophobicContact CD2-SD 3.62Å; L39-M124 HydrophobicContact CG-CE 3.94Å; L39-M124 HydrophobicContact CG-SD 3.55Å; L39-M124 VanDerWaalsContact CG-SD 3.55Å
40V63.1Low58.1Low22 Ų2275.2 Ų75.213%0.13343%0.434CS..Hα-helixtrans-72.8-40.7-179.5171.70000113V36 T37 R121 V125V36-V40 HydrophobicContact CG1-CG2 4.03Å; V36-V40 VanDerWaalsContact O-CB 3.32Å; V36-V40 WeakPolarHBondContact O-CB 3.35Å; V36-V40 WeakPolarHBondContact O-CG2 3.26Å; V36-V40 PolarHBondContact O-N 2.89Å; T37-V40 PolarHBondContact O-N 2.79Å; V40-R121 PolarHBondContact O-NH2 3.44Å; V40-V125 HydrophobicContact CB-CG2 4.41Å; V40-V125 HydrophobicContact CG1-CG1 4.12Å; V40-V125 HydrophobicContact CG1-CG2 3.98Å; V40-V125 HydrophobicContact CG2-CG1 4.38Å; V40-V125 HydrophobicContact CG2-CG2 4.06Å
41N56.1Low56.5Low100 Ų10079.7 Ų79.754%0.53545%0.452SS..Hα-helixtrans-91.14.8-171.5-73.3-20.1000115.5T37 S43T37-N41 WeakPolarHBondContact CG2-ND2 3.28Å; T37-N41 WeakPolarHBondContact O-CB 3.4Å; T37-N41 PolarHBondContact O-N 2.91Å; N41-S43 PolarHBondContact O-N 3.47Å
42S52.9Low55.1Low57 Ų5786.1 Ų86.140%0.39947%0.473SS..THydrogen-bonded Turntrans-60.97.5177.949.30000115.3L39L39-S42 PolarHBondContact O-OG 3.28Å
43S48.5Very low53.7Low38 Ų3889.6 Ų89.627%0.26651%0.509SS..THydrogen-bonded Turntrans-151.924.2-161.449.60000116.8N41 K45 R121N41-S43 PolarHBondContact O-N 3.47Å; S43-K45 PolarHBondContact O-N 2.92Å; S43-R121 PolarHBondContact OG-NE 2.97Å; S43-R121 PolarHBondContact OG-NH2 2.8Å
44N40.2Very low52.3Low156 Ų15699 Ų9983%0.83454%0.538SS*.SBendtrans-678.7168.4-115.619.6000114.1
45K42.8Very low51.4Low75 Ų7599.3 Ų99.333%0.32654%0.544SS..SBendtrans-140.2128.3173.1-62.7-177-172.2-161.80107.3S43 P863 E864 K865S43-K45 PolarHBondContact O-N 2.92Å; K45-P863 PolarHBondContact NZ-O 3.44Å; K45-E864 PolarHBondContact NZ-O 3.18Å; K45-K865 HydrophobicContact CD-CD 4.14Å; K45-K865 HydrophobicContact CD-CG 3.48Å; K45-K865 VanDerWaalsContact CD-CG 3.48Å
46G44.1Very low50.7Low62 Ų62104.2 Ų104.264%0.63957%0.565SS**  trans-55.2-175-177.400000115.4S48G46-S48 PolarHBondContact O-N 2.93Å
47P40.2Very low50.5Low134 Ų134110.5 Ų110.587%0.8759%0.591SS**  trans-54.2130-171.119.8-30000112.1
48S43.5Very low50.2Low78 Ų78108.9 Ų108.955%0.54558%0.584SS.*  trans-82.1120.9-174.8169.10000111.7G46 K50G46-S48 PolarHBondContact O-N 2.93Å; S48-K50 VanDerWaalsContact C-N 3.26Å; S48-K50 PolarHBondContact O-N 3.41Å; S48-K50 PolarHBondContact OG-N 3.41Å; S48-K50 PolarHBondContact OG-O 3.45Å
49N45.1Very low50.4Low169 Ų169110.7 Ų110.790%0.90459%0.587SS**  trans-82.724.8171.3-78.7-6.2000114.5
50K41.2Very low50.9Low183 Ų183113.7 Ų113.780%0.79661%0.605SS**SBendtrans-131.2151.9171.6-73-168.1178.8-1770113.1S48S48-K50 VanDerWaalsContact C-N 3.26Å; S48-K50 PolarHBondContact O-N 3.41Å; S48-K50 PolarHBondContact OG-N 3.41Å; S48-K50 PolarHBondContact OG-O 3.45Å
51K41.7Very low51.1Low217 Ų217113.9 Ų113.994%0.94361%0.606SS**  trans-47.6127.2-169.1-76.6-177.9175.3178.90113.8
52K44.4Very low51.9Low203 Ų203109.6 Ų109.688%0.88358%0.584SS**  trans-62.7140.3176.4-67.4175.6176177.60110.9
53G44.8Very low53.1Low74 Ų74109.3 Ų109.376%0.76359%0.585SS**  trans1700.717000000122.1
54R46.1Very low54.4Low248 Ų248109.5 Ų109.594%0.93659%0.587SS**SBendtrans-138.211.4-179-72.5-169.2176.7179.70.5117.5
55S50.4Low56.1Low83 Ų83102.2 Ų102.258%0.5855%0.548SS*.SBendtrans-89.4140.5167.4-49.50000109.1K57S55-K57 PolarHBondContact O-N 3.07Å
56K52.5Low57.9Low149 Ų149102 Ų10265%0.64855%0.548SS*.PPolyproline II helixtrans-51131.5167-75.1-175.2178.3-179.90107.5A58 L61K56-A58 PolarHBondContact O-N 3.43Å; K56-L61 HydrophobicContact CB-CD2 4.25Å; K56-L61 HydrophobicContact CB-CG 4.18Å; K56-L61 HydrophobicContact CD-CD2 4.09Å
57K63.6Low59.7Low142 Ų142102.9 Ų102.962%0.61754%0.544SS*.PPolyproline II helixtrans-59.7140.7-178.2-60.4-177.8-176.8174.50108.3S55 H59 V60 L61S55-K57 PolarHBondContact O-N 3.07Å; K57-H59 WeakPolarHBondContact CB-CE1 3.42Å; K57-H59 WeakPolarHBondContact CB-ND1 3.3Å; K57-H59 WeakPolarHBondContact CD-CE1 3.42Å; K57-H59 PolarHBondContact O-N 3.4Å; K57-H59 VanDerWaalsContact O-N 3.08Å; K57-V60 HydrophobicContact CB-CG2 4.2Å; K57-V60 WeakPolarHBondContact O-CB 3.47Å; K57-V60 PolarHBondContact O-N 3.46Å; K57-L61 PolarHBondContact O-N 2.85Å
58A64.8Low61.6Low25 Ų2597.5 Ų97.521%0.20751%0.511CS..Hα-helixtrans-53.2-34.2-174.700000113K56 V60 L61 A62 F111 A112K56-A58 PolarHBondContact O-N 3.43Å; A58-V60 VanDerWaalsContact C-N 3.34Å; A58-V60 PolarHBondContact O-N 3.31Å; A58-L61 PolarHBondContact O-N 3.2Å; A58-A62 WeakPolarHBondContact O-CB 3.25Å; A58-A62 PolarHBondContact O-N 2.97Å; A58-F111 HydrophobicContact CB-CE1 4.43Å; A58-A112 HydrophobicContact CB-CB 3.79Å
59H69.5Low63.4Low106 Ų10694.2 Ų94.249%0.49149%0.488SS..Hα-helixtrans-63-32.5173.361.6-108000114.4K57 A63K57-H59 WeakPolarHBondContact CB-CE1 3.42Å; K57-H59 WeakPolarHBondContact CB-ND1 3.3Å; K57-H59 WeakPolarHBondContact CD-CE1 3.42Å; K57-H59 PolarHBondContact O-N 3.4Å; K57-H59 VanDerWaalsContact O-N 3.08Å; H59-A63 VanDerWaalsContact O-CB 3.27Å; H59-A63 WeakPolarHBondContact O-CB 3.45Å; H59-A63 PolarHBondContact O-N 2.89Å
60V73Confident65.3Low66 Ų6691.9 Ų91.940%0.447%0.472SS..Hα-helixtrans-70.3-37.2177.6-1790000110.2K57 A58 S64K57-V60 HydrophobicContact CB-CG2 4.2Å; K57-V60 WeakPolarHBondContact O-CB 3.47Å; K57-V60 PolarHBondContact O-N 3.46Å; A58-V60 VanDerWaalsContact C-N 3.34Å; A58-V60 PolarHBondContact O-N 3.31Å; V60-S64 WeakPolarHBondContact O-CB 3.35Å; V60-S64 PolarHBondContact O-N 3.39Å
61L67.6Low67.4Low26 Ų2686.6 Ų86.614%0.13645%0.452CS..Hα-helixtrans-72.9-40.9176.6-65.5174.8000111.4T38 L39 K56 K57 A58 S64 V65T38-L61 HydrophobicContact CG2-CD1 4.47Å; L39-L61 HydrophobicContact CD1-CB 3.87Å; L39-L61 HydrophobicContact CD1-CD1 4.08Å; K56-L61 HydrophobicContact CB-CD2 4.25Å; K56-L61 HydrophobicContact CB-CG 4.18Å; K56-L61 HydrophobicContact CD-CD2 4.09Å; K57-L61 PolarHBondContact O-N 2.85Å; A58-L61 PolarHBondContact O-N 3.2Å; L61-S64 WeakPolarHBondContact O-CB 3.23Å; L61-S64 PolarHBondContact O-N 2.9Å; L61-V65 WeakPolarHBondContact O-CG2 3.46Å; L61-V65 PolarHBondContact O-N 3.4Å
62A73Confident69.3Low10 Ų1077.5 Ų77.58%0.08341%0.412CS..Hα-helixtrans-59.3-48.4173.700000111.5A58 S64 V65 E66A58-A62 WeakPolarHBondContact O-CB 3.25Å; A58-A62 PolarHBondContact O-N 2.97Å; A62-S64 VanDerWaalsContact C-N 3.3Å; A62-S64 PolarHBondContact O-N 3.34Å; A62-V65 PolarHBondContact O-N 3.32Å; A62-E66 PolarHBondContact O-N 3.41Å
63A77.4Confident71.3Confident51 Ų5168.3 Ų68.342%0.42137%0.373SS..Hα-helixtrans-62.6-34.4176.400000113.1H59 E66 S67H59-A63 VanDerWaalsContact O-CB 3.27Å; H59-A63 WeakPolarHBondContact O-CB 3.45Å; H59-A63 PolarHBondContact O-N 2.89Å; A63-E66 PolarHBondContact O-N 3.29Å; A63-S67 WeakPolarHBondContact O-CB 3.38Å; A63-S67 PolarHBondContact O-N 3.01Å
64S75.8Confident73.3Confident43 Ų4371.5 Ų71.530%0.30137%0.368SS..Hα-helixtrans-66.1-42.6175.1-174.70000112.1Q35 V60 L61 A62 A68Q35-S64 PolarHBondContact NE2-OG 2.95Å; Q35-S64 PolarHBondContact OE1-O 3.23Å; Q35-S64 PolarHBondContact OE1-OG 3.36Å; V60-S64 WeakPolarHBondContact O-CB 3.35Å; V60-S64 PolarHBondContact O-N 3.39Å; L61-S64 WeakPolarHBondContact O-CB 3.23Å; L61-S64 PolarHBondContact O-N 2.9Å; A62-S64 VanDerWaalsContact C-N 3.3Å; A62-S64 PolarHBondContact O-N 3.34Å; S64-A68 WeakPolarHBondContact O-CB 3.41Å; S64-A68 PolarHBondContact O-N 2.94Å
65V75.9Confident75.1Confident3 Ų365 Ų652%0.01835%0.346CS..Hα-helixtrans-66.8-39.9176.3173.70000110.6L32 Q35 L61 A62 A68 T69 M104 L131L32-V65 HydrophobicContact CD1-CG1 4.49Å; Q35-V65 HydrophobicContact CB-CG2 4.19Å; L61-V65 WeakPolarHBondContact O-CG2 3.46Å; L61-V65 PolarHBondContact O-N 3.4Å; A62-V65 PolarHBondContact O-N 3.32Å; V65-A68 PolarHBondContact O-N 3.08Å; V65-T69 WeakPolarHBondContact O-CB 3.5Å; V65-T69 PolarHBondContact O-N 2.97Å; V65-T69 PolarHBondContact O-OG1 3.47Å; V65-M104 HydrophobicContact CG1-CE 4.17Å; V65-M104 HydrophobicContact CG1-CG 3.92Å; V65-L131 HydrophobicContact CG1-CD2 4.04Å
66E80.9Confident76.7Confident71 Ų7161.2 Ų61.233%0.33232%0.32SS..Hα-helixtrans-60.6-50.4174.9-172.7176.7176.100111.3A62 A63 A68 T69 E70 R105A62-E66 PolarHBondContact O-N 3.41Å; A63-E66 PolarHBondContact O-N 3.29Å; E66-A68 PolarHBondContact O-N 3.48Å; E66-T69 PolarHBondContact O-N 3.25Å; E66-E70 PolarHBondContact O-N 3.42Å; E66-R105 HydrophobicContact CG-CG 4.47Å; E66-R105 VanDerWaalsContact OE1-CD 3.3Å; E66-R105 WeakPolarHBondContact OE1-CD 3.33Å; E66-R105 IonicContact OE1-CZ 2.75Å; E66-R105 IonicContact OE1-NE 3.21Å; E66-R105 PolarHBondContact OE1-NE 3.48Å; E66-R105 IonicContact OE1-NH1 2.67Å; E66-R105 PolarHBondContact OE1-NH1 2.95Å; E66-R105 IonicContact OE1-NH2 2.87Å; E66-R105 PolarHBondContact OE1-NH2 3.38Å; E66-R105 IonicContact OE2-NE 2.91Å
67S82.4Confident78.3Confident80 Ų8057.1 Ų57.156%0.55930%0.304SS*.Hα-helixtrans-62.3-38.9177.5178.80000113.1A63 N71A63-S67 WeakPolarHBondContact O-CB 3.38Å; A63-S67 PolarHBondContact O-N 3.01Å; S67-N71 PolarHBondContact O-N 3.13Å; S67-N71 VanDerWaalsContact O-N 3.17Å
68A79.3Confident79.4Confident21 Ų2156.2 Ų56.217%0.17430%0.299CS..Hα-helixtrans-65.5-40.7175.300000111.7S64 V65 E66 N71 F72S64-A68 WeakPolarHBondContact O-CB 3.41Å; S64-A68 PolarHBondContact O-N 2.94Å; V65-A68 PolarHBondContact O-N 3.08Å; E66-A68 PolarHBondContact O-N 3.48Å; A68-N71 WeakPolarHBondContact O-CB 3.44Å; A68-N71 PolarHBondContact O-N 2.93Å; A68-F72 WeakPolarHBondContact O-CD2 3.37Å; A68-F72 PolarHBondContact O-N 3.35Å
69T82.5Confident80.2Confident8 Ų857.9 Ų57.95%0.04931%0.305CS..Hα-helixtrans-64.5-42.8177.8-53.30000111.1V65 E66 N71 F72 L73 V97 L131V65-T69 WeakPolarHBondContact O-CB 3.5Å; V65-T69 PolarHBondContact O-N 2.97Å; V65-T69 PolarHBondContact O-OG1 3.47Å; E66-T69 PolarHBondContact O-N 3.25Å; T69-N71 VanDerWaalsContact C-N 3.32Å; T69-N71 PolarHBondContact O-N 2.99Å; T69-F72 WeakPolarHBondContact O-CB 3.4Å; T69-F72 PolarHBondContact O-N 3.24Å; T69-F72 VanDerWaalsContact O-N 3.14Å; T69-L73 HydrophobicContact CG2-CD1 4.47Å; T69-L73 WeakPolarHBondContact O-CG 3.4Å; T69-L73 PolarHBondContact O-N 3.49Å; T69-V97 HydrophobicContact CG2-CG1 4.25Å; T69-L131 HydrophobicContact CG2-CD1 4Å
70E85.1Confident80.9Confident121 Ų12153 Ų5357%0.56528%0.283SS*.Hα-helixtrans-60.8-40.5176.5-164.662.5-151.200112E66 F72 L73 E74E66-E70 PolarHBondContact O-N 3.42Å; E70-F72 VanDerWaalsContact C-N 3.32Å; E70-F72 PolarHBondContact O-N 3.28Å; E70-L73 PolarHBondContact O-N 2.76Å; E70-L73 VanDerWaalsContact O-N 3.15Å; E70-E74 PolarHBondContact O-N 2.94Å
71N84.6Confident81.4Confident72 Ų7256.7 Ų56.739%0.38529%0.293SS..Hα-helixtrans-61.8-39.7175.5-163.8-62.8000112.2S67 A68 T69 K75S67-N71 PolarHBondContact O-N 3.13Å; S67-N71 VanDerWaalsContact O-N 3.17Å; A68-N71 WeakPolarHBondContact O-CB 3.44Å; A68-N71 PolarHBondContact O-N 2.93Å; T69-N71 VanDerWaalsContact C-N 3.32Å; T69-N71 PolarHBondContact O-N 2.99Å; N71-K75 WeakPolarHBondContact O-CB 3.38Å; N71-K75 WeakPolarHBondContact O-CG 3.27Å; N71-K75 PolarHBondContact O-N 3.45Å; N71-K75 VanDerWaalsContact O-N 3.15Å; N71-K75 WeakPolarHBondContact OD1-CD 3.24Å; N71-K75 WeakPolarHBondContact OD1-CE 3.32Å; N71-K75 PolarHBondContact OD1-NZ 3.15Å
72F82.4Confident82Confident26 Ų2661.4 Ų61.411%0.11431%0.314CS..Hα-helixtrans-66.5-37.6174.3-77.3-65.2000112.2L28 L32 A68 T69 E70 G76 V135 L139L28-F72 WeakPolarHBondContact O-CZ 3.43Å; L32-F72 HydrophobicContact CB-CE2 4.35Å; L32-F72 HydrophobicContact CD2-CE2 4.2Å; A68-F72 WeakPolarHBondContact O-CD2 3.37Å; A68-F72 PolarHBondContact O-N 3.35Å; T69-F72 WeakPolarHBondContact O-CB 3.4Å; T69-F72 PolarHBondContact O-N 3.24Å; T69-F72 VanDerWaalsContact O-N 3.14Å; E70-F72 VanDerWaalsContact C-N 3.32Å; E70-F72 PolarHBondContact O-N 3.28Å; F72-G76 WeakPolarHBondContact O-CA 3.27Å; F72-G76 PolarHBondContact O-N 2.94Å; F72-V135 HydrophobicContact CD1-CG1 4.03Å; F72-V135 HydrophobicContact CD2-CG1 4.02Å; F72-V135 HydrophobicContact CE1-CG1 4Å; F72-V135 HydrophobicContact CE2-CG1 3.99Å; F72-V135 HydrophobicContact CG-CG1 4.05Å; F72-V135 HydrophobicContact CZ-CG1 3.98Å; F72-L139 HydrophobicContact CD1-CD2 4.38Å; F72-L139 HydrophobicContact CE1-CD1 3.96Å; F72-L139 HydrophobicContact CE1-CD2 4.15Å; F72-L139 HydrophobicContact CE1-CG 4.41Å
73L86.4Confident82.3Confident10 Ų1061.1 Ų61.15%0.05231%0.312CS..Hα-helixtrans-65.7-48.9176.3-71.1173.3000111.5T69 E70 K75 G76 E77 V94 V97 R98T69-L73 HydrophobicContact CG2-CD1 4.47Å; T69-L73 WeakPolarHBondContact O-CG 3.4Å; T69-L73 PolarHBondContact O-N 3.49Å; E70-L73 PolarHBondContact O-N 2.76Å; E70-L73 VanDerWaalsContact O-N 3.15Å; L73-K75 PolarHBondContact O-N 3.41Å; L73-G76 PolarHBondContact O-N 3.05Å; L73-E77 WeakPolarHBondContact O-CB 3.31Å; L73-E77 WeakPolarHBondContact O-CG 3.24Å; L73-E77 PolarHBondContact O-N 2.93Å; L73-V94 HydrophobicContact CD2-CG1 4.03Å; L73-V94 WeakPolarHBondContact CD2-O 3.33Å; L73-V97 HydrophobicContact CD2-CB 4.07Å; L73-V97 HydrophobicContact CD2-CG1 3.78Å; L73-V97 HydrophobicContact CG-CG1 4.23Å; L73-R98 HydrophobicContact CD1-CB 4.24Å; L73-R98 HydrophobicContact CD1-CG 4.23Å; L73-R98 HydrophobicContact CD2-CB 3.84Å
74E85.5Confident82.2Confident140 Ų14066.4 Ų66.465%0.65433%0.328SS*.Hα-helixtrans-57.9-48.4179.2-173.1-173.6179.400111.5E70 K78E70-E74 PolarHBondContact O-N 2.94Å; E74-K78 PolarHBondContact O-N 3.26Å; E74-K78 VanDerWaalsContact O-N 3.16Å
75K83.8Confident82.1Confident112 Ų11266 Ų6649%0.48732%0.321SS..Hα-helixtrans-68.7-41.7177.7-71.8177.4179.4161.50112.3N71 L73 K78 I79N71-K75 WeakPolarHBondContact O-CB 3.38Å; N71-K75 WeakPolarHBondContact O-CG 3.27Å; N71-K75 PolarHBondContact O-N 3.45Å; N71-K75 VanDerWaalsContact O-N 3.15Å; N71-K75 WeakPolarHBondContact OD1-CD 3.24Å; N71-K75 WeakPolarHBondContact OD1-CE 3.32Å; N71-K75 PolarHBondContact OD1-NZ 3.15Å; L73-K75 PolarHBondContact O-N 3.41Å; K75-K78 PolarHBondContact O-N 3.14Å; K75-I79 VanDerWaalsContact O-CG1 3.26Å; K75-I79 WeakPolarHBondContact O-CG1 3.45Å; K75-I79 PolarHBondContact O-N 2.99Å
76G84.7Confident82.2Confident3 Ų366.3 Ų66.33%0.03132%0.322CS..Hα-helixtrans-61.8-44.4178.700000111.9F72 L73 K78 I79 A80 V94F72-G76 WeakPolarHBondContact O-CA 3.27Å; F72-G76 PolarHBondContact O-N 2.94Å; L73-G76 PolarHBondContact O-N 3.05Å; G76-K78 PolarHBondContact O-N 3.43Å; G76-I79 PolarHBondContact O-N 3.46Å; G76-A80 VanDerWaalsContact O-CB 3.31Å; G76-A80 WeakPolarHBondContact O-CB 3.33Å; G76-A80 PolarHBondContact O-N 3.3Å; G76-V94 VanDerWaalsContact C-CG2 3.46Å
77E86.9Confident82.4Confident64 Ų6467.9 Ų67.930%0.29933%0.328SS..Hα-helixtrans-61.8-42.5174.7-78.4-172.6-160.700112.2L73 A80 K81 V94 R98L73-E77 WeakPolarHBondContact O-CB 3.31Å; L73-E77 WeakPolarHBondContact O-CG 3.24Å; L73-E77 PolarHBondContact O-N 2.93Å; E77-A80 PolarHBondContact O-N 3.04Å; E77-K81 WeakPolarHBondContact O-CB 3.38Å; E77-K81 WeakPolarHBondContact O-CD 3.5Å; E77-K81 WeakPolarHBondContact O-CG 3.42Å; E77-K81 PolarHBondContact O-N 2.98Å; E77-K81 IonicContact OE2-NZ 3.34Å; E77-K81 PolarHBondContact OE2-NZ 3.35Å; E77-K81 VanDerWaalsContact OE2-NZ 3.17Å; E77-V94 HydrophobicContact CG-CG1 3.73Å; E77-R98 IonicContact OE1-CZ 2.7Å; E77-R98 IonicContact OE1-NH2 3.95Å; E77-R98 PolarHBondContact OE1-NH2 2.65Å
78K85.6Confident82.5Confident122 Ų12270.2 Ų70.253%0.5333%0.334SS..Hα-helixtrans-61.5-48.7176.4-174.9178.2178.1179.90110.9E74 K75 G76 A80 K81 E82E74-K78 PolarHBondContact O-N 3.26Å; E74-K78 VanDerWaalsContact O-N 3.16Å; K75-K78 PolarHBondContact O-N 3.14Å; G76-K78 PolarHBondContact O-N 3.43Å; K78-A80 PolarHBondContact O-N 2.73Å; K78-K81 PolarHBondContact O-N 3.08Å; K78-E82 WeakPolarHBondContact CE-OE1 3.47Å; K78-E82 WeakPolarHBondContact CG-OE1 3.46Å; K78-E82 IonicContact NZ-OE1 3.47Å; K78-E82 WeakPolarHBondContact O-CB 3.34Å; K78-E82 WeakPolarHBondContact O-CG 3.31Å; K78-E82 PolarHBondContact O-N 2.82Å
79I81.7Confident82.9Confident61 Ų6172.3 Ų72.331%0.31334%0.34SS..Hα-helixtrans-60.2-46.3177.8-68165.7000110.3K75 G76 K81 E82 S83 L90 A142K75-I79 VanDerWaalsContact O-CG1 3.26Å; K75-I79 WeakPolarHBondContact O-CG1 3.45Å; K75-I79 PolarHBondContact O-N 2.99Å; G76-I79 PolarHBondContact O-N 3.46Å; I79-K81 PolarHBondContact O-N 2.82Å; I79-E82 PolarHBondContact O-N 3.29Å; I79-S83 VanDerWaalsContact O-CB 3.23Å; I79-S83 WeakPolarHBondContact O-CB 3.26Å; I79-S83 PolarHBondContact O-N 3.33Å; I79-L90 HydrophobicContact CG2-CD1 4.25Å; I79-A142 HydrophobicContact CD1-CB 4.38Å; I79-A142 HydrophobicContact CG2-CB 4.28Å
80A83.8Confident83.1Confident4 Ų471.9 Ų71.93%0.03334%0.338CS..Hα-helixtrans-62.7-40.4178.600000112.3G76 E77 K78 S83 L90G76-A80 VanDerWaalsContact O-CB 3.31Å; G76-A80 WeakPolarHBondContact O-CB 3.33Å; G76-A80 PolarHBondContact O-N 3.3Å; E77-A80 PolarHBondContact O-N 3.04Å; K78-A80 PolarHBondContact O-N 2.73Å; A80-S83 PolarHBondContact O-N 2.82Å; A80-L90 HydrophobicContact CB-CB 3.93Å
81K84.7Confident83.3Confident142 Ų14269 Ų6962%0.61733%0.328SS*.Hα-helixtrans-65.4-42.5176.9-76.3166.6-175.5158.10112.2E77 K78 I79E77-K81 WeakPolarHBondContact O-CB 3.38Å; E77-K81 WeakPolarHBondContact O-CD 3.5Å; E77-K81 WeakPolarHBondContact O-CG 3.42Å; E77-K81 PolarHBondContact O-N 2.98Å; E77-K81 IonicContact OE2-NZ 3.34Å; E77-K81 PolarHBondContact OE2-NZ 3.35Å; E77-K81 VanDerWaalsContact OE2-NZ 3.17Å; K78-K81 PolarHBondContact O-N 3.08Å; I79-K81 PolarHBondContact O-N 2.82Å
82E80.5Confident83.6Confident125 Ų12568.4 Ų68.458%0.58433%0.334SS*.Hα-helixtrans-81.1-15.9-178.8-68.2174.4-177.600113K78 I79 Q84K78-E82 WeakPolarHBondContact CE-OE1 3.47Å; K78-E82 WeakPolarHBondContact CG-OE1 3.46Å; K78-E82 IonicContact NZ-OE1 3.47Å; K78-E82 WeakPolarHBondContact O-CB 3.34Å; K78-E82 WeakPolarHBondContact O-CG 3.31Å; K78-E82 PolarHBondContact O-N 2.82Å; I79-E82 PolarHBondContact O-N 3.29Å; E82-Q84 PolarHBondContact O-N 3.45Å
83S77.9Confident84Confident4 Ų467.5 Ų67.53%0.02833%0.331CS..  trans-72.8123.9-177.2-154.40000111.7I79 A80 F85 S145I79-S83 VanDerWaalsContact O-CB 3.23Å; I79-S83 WeakPolarHBondContact O-CB 3.26Å; I79-S83 PolarHBondContact O-N 3.33Å; A80-S83 PolarHBondContact O-N 2.82Å; S83-F85 VanDerWaalsContact C-N 3.32Å; S83-F85 WeakPolarHBondContact CB-O 3.31Å; S83-F85 PolarHBondContact OG-O 3.24Å; S83-S145 PolarHBondContact OG-OG 3.42Å
84Q76.2Confident84.3Confident163 Ų16367.2 Ų67.276%0.76233%0.33SS*.SBendtrans-83.5-13.4171.1-63.9178.83.800112.2E82E82-Q84 PolarHBondContact O-N 3.45Å
85F73.8Confident84.7Confident34 Ų3465.4 Ų65.415%0.14932%0.321CS..SBendtrans-132.2148.7-175.8-52.2-72000110T6 S83 K87 Y148 V152T6-F85 HydrophobicContact CG2-CE1 4.35Å; S83-F85 VanDerWaalsContact C-N 3.32Å; S83-F85 WeakPolarHBondContact CB-O 3.31Å; S83-F85 PolarHBondContact OG-O 3.24Å; F85-K87 PolarHBondContact O-N 3.46Å; F85-K87 VanDerWaalsContact O-N 3.07Å; F85-Y148 HydrophobicContact CB-CD1 3.95Å; F85-Y148 HydrophobicContact CB-CE1 4.24Å; F85-Y148 HydrophobicContact CB-CG 4.3Å; F85-Y148 AromaticContact CD1-CD1 3.66Å; F85-Y148 HydrophobicContact CD1-CD1 3.66Å; F85-Y148 AromaticContact CD1-CE1 3.16Å; F85-Y148 HydrophobicContact CD1-CE1 3.16Å; F85-Y148 AromaticContact CD1-CZ 3.77Å; F85-Y148 AromaticContact CD2-CD1 3.39Å; F85-Y148 HydrophobicContact CD2-CD1 3.39Å; F85-Y148 AromaticContact CD2-CE1 3.76Å; F85-Y148 HydrophobicContact CD2-CE1 3.76Å; F85-Y148 HydrophobicContact CD2-CG 4.37Å; F85-Y148 AromaticContact CE1-CD1 3.99Å; F85-Y148 HydrophobicContact CE1-CD1 3.99Å; F85-Y148 AromaticContact CE1-CE1 3.28Å; F85-Y148 HydrophobicContact CE1-CE1 3.28Å; F85-Y148 AromaticContact CE2-CD1 3.73Å; F85-Y148 HydrophobicContact CE2-CD1 3.73Å; F85-Y148 AromaticContact CE2-CE1 3.85Å; F85-Y148 HydrophobicContact CE2-CE1 3.85Å; F85-Y148 AromaticContact CG-CD1 3.34Å; F85-Y148 HydrophobicContact CG-CD1 3.34Å; F85-Y148 AromaticContact CG-CE1 3.42Å; F85-Y148 HydrophobicContact CG-CE1 3.42Å; F85-Y148 VanDerWaalsContact CG-CE1 3.42Å; F85-Y148 HydrophobicContact CG-CG 4.17Å; F85-Y148 HydrophobicContact CZ-CD1 4.02Å; F85-Y148 AromaticContact CZ-CE1 3.62Å; F85-Y148 HydrophobicContact CZ-CE1 3.62Å; F85-V152 HydrophobicContact CE2-CG2 4.07Å; F85-V152 HydrophobicContact CZ-CG2 3.86Å
86L77.6Confident85.1Confident9 Ų963 Ų635%0.04731%0.314CS..SBendtrans53.826.6-176.6-65164.6000113.7I4 D88 E89 L90 M144I4-L86 HydrophobicContact CD1-CD2 3.26Å; I4-L86 HydrophobicContact CD1-CG 3.82Å; L86-D88 PolarHBondContact O-N 2.97Å; L86-E89 VanDerWaalsContact CA-OE2 3.3Å; L86-E89 WeakPolarHBondContact CA-OE2 3.16Å; L86-E89 HydrophobicContact CD2-CB 4.33Å; L86-E89 HydrophobicContact CD2-CG 4.22Å; L86-E89 PolarHBondContact O-N 2.91Å; L86-L90 HydrophobicContact CB-CD1 4.41Å; L86-L90 VanDerWaalsContact O-CB 3.26Å; L86-L90 WeakPolarHBondContact O-CB 3.46Å; L86-L90 WeakPolarHBondContact O-CG 3.37Å; L86-L90 PolarHBondContact O-N 3.39Å; L86-M144 HydrophobicContact CD1-CB 3.66Å
87K84.3Confident85.5Confident105 Ų10562.9 Ų62.946%0.45731%0.312SS..Hα-helixtrans-63-44.6-172.8-179.6171.7-177.1177.60111.6F85 T91F85-K87 PolarHBondContact O-N 3.46Å; F85-K87 VanDerWaalsContact O-N 3.07Å; K87-T91 VanDerWaalsContact O-CB 3.29Å; K87-T91 WeakPolarHBondContact O-CB 2.95Å; K87-T91 PolarHBondContact O-N 3.1Å; K87-T91 PolarHBondContact O-OG1 3.38Å
88D86.1Confident85.8Confident128 Ų12862.4 Ų62.468%0.68431%0.308SS*.Hα-helixtrans-69.5-40.8-178.9-63.6-23000110.6L86 T91 A92L86-D88 PolarHBondContact O-N 2.97Å; D88-T91 PolarHBondContact O-N 2.84Å; D88-A92 WeakPolarHBondContact O-CB 3.16Å; D88-A92 PolarHBondContact O-N 3.41Å
89E85.9Confident86.2Confident65 Ų6563.4 Ų63.430%0.30431%0.312SS..Hα-helixtrans-65.6-43.6175.8-65.884.617200112.5L86 A92 A93 L141L86-E89 VanDerWaalsContact CA-OE2 3.3Å; L86-E89 WeakPolarHBondContact CA-OE2 3.16Å; L86-E89 HydrophobicContact CD2-CB 4.33Å; L86-E89 HydrophobicContact CD2-CG 4.22Å; L86-E89 PolarHBondContact O-N 2.91Å; E89-A92 PolarHBondContact O-N 2.94Å; E89-A93 WeakPolarHBondContact O-CB 3.27Å; E89-A93 PolarHBondContact O-N 2.83Å; E89-L141 HydrophobicContact CB-CD1 4.31Å
90L87.1Confident86.8Confident0 Ų062.3 Ų62.30%031%0.306CS..Hα-helixtrans-64.2-42.3174.8-80.8165.6000111.2I79 A80 L86 A93 V94 L138 L141 A142I79-L90 HydrophobicContact CG2-CD1 4.25Å; A80-L90 HydrophobicContact CB-CB 3.93Å; L86-L90 HydrophobicContact CB-CD1 4.41Å; L86-L90 VanDerWaalsContact O-CB 3.26Å; L86-L90 WeakPolarHBondContact O-CB 3.46Å; L86-L90 WeakPolarHBondContact O-CG 3.37Å; L86-L90 PolarHBondContact O-N 3.39Å; L90-A93 PolarHBondContact O-N 2.85Å; L90-V94 VanDerWaalsContact O-CG2 3.3Å; L90-V94 WeakPolarHBondContact O-CG2 3.02Å; L90-V94 PolarHBondContact O-N 3.3Å; L90-L138 HydrophobicContact CD2-CD1 4.13Å; L90-L141 HydrophobicContact CD2-CB 3.68Å; L90-L141 HydrophobicContact CG-CB 4.28Å; L90-A142 HydrophobicContact CD2-CB 4.45Å
91T90.5Very high87.1Confident59 Ų5962.6 Ų62.636%0.36231%0.309SS..Hα-helixtrans-62.2-45.3176.5-56.50000110.4K87 D88 A93 V94 E95K87-T91 VanDerWaalsContact O-CB 3.29Å; K87-T91 WeakPolarHBondContact O-CB 2.95Å; K87-T91 PolarHBondContact O-N 3.1Å; K87-T91 PolarHBondContact O-OG1 3.38Å; D88-T91 PolarHBondContact O-N 2.84Å; T91-A93 PolarHBondContact O-N 2.84Å; T91-V94 PolarHBondContact O-N 3.11Å; T91-E95 WeakPolarHBondContact O-CG 3.33Å; T91-E95 PolarHBondContact O-N 3.08Å
92A90.8Very high87.5Confident61 Ų6161.8 Ų61.850%0.50431%0.307SS..Hα-helixtrans-63.2-38.7175.900000112.8D88 E89 E95 D96D88-A92 WeakPolarHBondContact O-CB 3.16Å; D88-A92 PolarHBondContact O-N 3.41Å; E89-A92 PolarHBondContact O-N 2.94Å; A92-E95 PolarHBondContact O-N 3.43Å; A92-D96 PolarHBondContact O-N 3.49Å
93A90.3Very high88Confident6 Ų658.3 Ų58.35%0.0530%0.297CS..Hα-helixtrans-66.7-38.5176.200000112.1E89 L90 T91 D96 V97 L138 L141E89-A93 WeakPolarHBondContact O-CB 3.27Å; E89-A93 PolarHBondContact O-N 2.83Å; L90-A93 PolarHBondContact O-N 2.85Å; T91-A93 PolarHBondContact O-N 2.84Å; A93-D96 PolarHBondContact O-N 2.9Å; A93-V97 WeakPolarHBondContact O-CG2 3.34Å; A93-V97 PolarHBondContact O-N 3.45Å; A93-L138 HydrophobicContact CB-CB 4.29Å; A93-L138 HydrophobicContact CB-CD1 4.11Å; A93-L141 HydrophobicContact CB-CD1 3.76Å
94V92.5Very high88.6Confident4 Ų458.2 Ų58.22%0.02430%0.296CS..Hα-helixtrans-62.6-43.4172.5171.30000110.9L73 G76 E77 L90 T91 D96 V97 R98 L138L73-V94 HydrophobicContact CD2-CG1 4.03Å; L73-V94 WeakPolarHBondContact CD2-O 3.33Å; G76-V94 VanDerWaalsContact C-CG2 3.46Å; E77-V94 HydrophobicContact CG-CG1 3.73Å; L90-V94 VanDerWaalsContact O-CG2 3.3Å; L90-V94 WeakPolarHBondContact O-CG2 3.02Å; L90-V94 PolarHBondContact O-N 3.3Å; T91-V94 PolarHBondContact O-N 3.11Å; V94-D96 VanDerWaalsContact C-N 3.35Å; V94-D96 PolarHBondContact O-N 3.48Å; V94-V97 PolarHBondContact O-N 3.16Å; V94-R98 PolarHBondContact O-N 2.81Å; V94-L138 HydrophobicContact CG2-CD1 3.68Å; V94-L138 HydrophobicContact CG2-CD2 4.31Å
95E93.2Very high89.2Confident102 Ų10257.5 Ų57.548%0.47729%0.286SS..Hα-helixtrans-61.1-41.1174.8-70.3-53.513600112.5T91 A92 R98 K99T91-E95 WeakPolarHBondContact O-CG 3.33Å; T91-E95 PolarHBondContact O-N 3.08Å; A92-E95 PolarHBondContact O-N 3.43Å; E95-R98 WeakPolarHBondContact O-CB 3.36Å; E95-R98 PolarHBondContact O-N 2.89Å; E95-R98 IonicContact OE1-CZ 3.9Å; E95-R98 IonicContact OE1-NH1 3.1Å; E95-R98 PolarHBondContact OE1-NH1 3.14Å; E95-R98 IonicContact OE1-NH2 3.87Å; E95-R98 IonicContact OE2-CZ 2.73Å; E95-R98 IonicContact OE2-NH1 2.84Å; E95-R98 PolarHBondContact OE2-NH1 3Å; E95-K99 WeakPolarHBondContact O-CB 3.41Å; E95-K99 PolarHBondContact O-N 2.8Å
96D92.8Very high89.9Confident62 Ų6261.8 Ų61.833%0.33231%0.307SS..Hα-helixtrans-67.1-42176.3-167.135.5000111.5A92 A93 V94 R98 K99 Q100A92-D96 PolarHBondContact O-N 3.49Å; A93-D96 PolarHBondContact O-N 2.9Å; V94-D96 VanDerWaalsContact C-N 3.35Å; V94-D96 PolarHBondContact O-N 3.48Å; D96-R98 VanDerWaalsContact C-N 3.26Å; D96-R98 PolarHBondContact O-N 3.45Å; D96-K99 PolarHBondContact O-N 3.33Å; D96-Q100 VanDerWaalsContact O-CG 3.3Å; D96-Q100 WeakPolarHBondContact O-CG 3.39Å; D96-Q100 PolarHBondContact O-N 3.39Å; D96-Q100 PolarHBondContact OD1-NE2 3.03Å
97V92.6Very high90.4Very high0 Ų061.9 Ų61.90%031%0.309CS..Hα-helixtrans-58.2-40.2172.81730000111.1T69 L73 A93 V94 G101 L131 A134 V135 L138T69-V97 HydrophobicContact CG2-CG1 4.25Å; L73-V97 HydrophobicContact CD2-CB 4.07Å; L73-V97 HydrophobicContact CD2-CG1 3.78Å; L73-V97 HydrophobicContact CG-CG1 4.23Å; A93-V97 WeakPolarHBondContact O-CG2 3.34Å; A93-V97 PolarHBondContact O-N 3.45Å; V94-V97 PolarHBondContact O-N 3.16Å; V97-G101 WeakPolarHBondContact O-CA 3.35Å; V97-G101 PolarHBondContact O-N 3.28Å; V97-L131 HydrophobicContact CG1-CD1 4.43Å; V97-A134 HydrophobicContact CG2-CB 3.86Å; V97-A134 WeakPolarHBondContact CG2-O 3.42Å; V97-V135 HydrophobicContact CG1-CG2 3.9Å; V97-V135 HydrophobicContact CG2-CG2 4.08Å; V97-L138 HydrophobicContact CG2-CB 4.08Å; V97-L138 HydrophobicContact CG2-CD2 4.01Å
98R93.9Very high90.4Very high55 Ų5557.1 Ų57.121%0.20829%0.289CS..Hα-helixtrans-63.3-49.5177.4-171.4177.9-62.697.3-3110.9L73 E77 V94 E95 D96 G101 E102L73-R98 HydrophobicContact CD1-CB 4.24Å; L73-R98 HydrophobicContact CD1-CG 4.23Å; L73-R98 HydrophobicContact CD2-CB 3.84Å; E77-R98 IonicContact OE1-CZ 2.7Å; E77-R98 IonicContact OE1-NH2 3.95Å; E77-R98 PolarHBondContact OE1-NH2 2.65Å; V94-R98 PolarHBondContact O-N 2.81Å; E95-R98 WeakPolarHBondContact O-CB 3.36Å; E95-R98 PolarHBondContact O-N 2.89Å; E95-R98 IonicContact OE1-CZ 3.9Å; E95-R98 IonicContact OE1-NH1 3.1Å; E95-R98 PolarHBondContact OE1-NH1 3.14Å; E95-R98 IonicContact OE1-NH2 3.87Å; E95-R98 IonicContact OE2-CZ 2.73Å; E95-R98 IonicContact OE2-NH1 2.84Å; E95-R98 PolarHBondContact OE2-NH1 3Å; D96-R98 VanDerWaalsContact C-N 3.26Å; D96-R98 PolarHBondContact O-N 3.45Å; R98-G101 PolarHBondContact O-N 3.43Å; R98-E102 WeakPolarHBondContact O-CG 3.46Å; R98-E102 PolarHBondContact O-N 2.9Å
99K94.8Very high90.2Very high142 Ų14252.3 Ų52.362%0.61727%0.27SS*.Hα-helixtrans-59.9-48.2177.9-178.3-175.5176.7-176.40112.5E95 D96 G101 E102 S103E95-K99 WeakPolarHBondContact O-CB 3.41Å; E95-K99 PolarHBondContact O-N 2.8Å; D96-K99 PolarHBondContact O-N 3.33Å; K99-G101 VanDerWaalsContact C-N 3.3Å; K99-E102 PolarHBondContact O-N 3.04Å; K99-S103 PolarHBondContact O-N 3.48Å; K99-S103 VanDerWaalsContact O-N 3.14Å
100Q93.9Very high90.2Very high38 Ų3852.5 Ų52.518%0.17827%0.27CS..Hα-helixtrans-68.6-32.6177.8-58-44.6-40.900111.6D96 S103 M104 A130 L131 A134D96-Q100 VanDerWaalsContact O-CG 3.3Å; D96-Q100 WeakPolarHBondContact O-CG 3.39Å; D96-Q100 PolarHBondContact O-N 3.39Å; D96-Q100 PolarHBondContact OD1-NE2 3.03Å; Q100-S103 PolarHBondContact O-N 2.93Å; Q100-M104 WeakPolarHBondContact O-CB 3.39Å; Q100-M104 PolarHBondContact O-N 3.32Å; Q100-A130 HydrophobicContact CG-CB 4.35Å; Q100-L131 HydrophobicContact CB-CB 4.25Å; Q100-L131 HydrophobicContact CB-CD1 4.23Å; Q100-A134 HydrophobicContact CB-CB 4.41Å; Q100-A134 HydrophobicContact CG-CB 3.94Å
101G90.8Very high90Very high10 Ų1053.1 Ų53.110%0.10327%0.273CS..Hα-helixtrans-61.8-46.9174.400000112.6V97 R98 K99 M104 R105V97-G101 WeakPolarHBondContact O-CA 3.35Å; V97-G101 PolarHBondContact O-N 3.28Å; R98-G101 PolarHBondContact O-N 3.43Å; K99-G101 VanDerWaalsContact C-N 3.3Å; G101-M104 PolarHBondContact O-N 3.15Å; G101-R105 WeakPolarHBondContact O-CB 3.37Å; G101-R105 PolarHBondContact O-N 3.38Å
102E91.1Very high89.4Confident126 Ų12651.6 Ų51.659%0.58927%0.267SS*.Hα-helixtrans-61.8-45.1174.2-73.5175.7-171.300111.9R98 K99 M104 R105 Q106R98-E102 WeakPolarHBondContact O-CG 3.46Å; R98-E102 PolarHBondContact O-N 2.9Å; K99-E102 PolarHBondContact O-N 3.04Å; E102-M104 VanDerWaalsContact C-N 3.3Å; E102-M104 PolarHBondContact O-N 3.08Å; E102-R105 WeakPolarHBondContact O-CB 3.46Å; E102-R105 PolarHBondContact O-N 2.9Å; E102-Q106 PolarHBondContact O-N 3.42Å
103S92.4Very high89Confident52 Ų5256.5 Ų56.536%0.36428%0.279SS..Hα-helixtrans-60.1-41175.7-172.50000111.9K99 Q100 A107K99-S103 PolarHBondContact O-N 3.48Å; K99-S103 VanDerWaalsContact O-N 3.14Å; Q100-S103 PolarHBondContact O-N 2.93Å; S103-A107 VanDerWaalsContact O-CB 3.31Å; S103-A107 WeakPolarHBondContact O-CB 3.29Å; S103-A107 PolarHBondContact O-N 3.2Å
104M89.9Confident88.4Confident1 Ų159.2 Ų59.21%0.00529%0.293CS..Hα-helixtrans-67.1-41.2175.9-177.257.2-173.800111.9L39 V65 Q100 G101 E102 S108 M124 A127 A128 L131L39-M104 HydrophobicContact CD2-CE 3.44Å; L39-M104 VanDerWaalsContact CD2-CE 3.44Å; V65-M104 HydrophobicContact CG1-CE 4.17Å; V65-M104 HydrophobicContact CG1-CG 3.92Å; Q100-M104 WeakPolarHBondContact O-CB 3.39Å; Q100-M104 PolarHBondContact O-N 3.32Å; G101-M104 PolarHBondContact O-N 3.15Å; E102-M104 VanDerWaalsContact C-N 3.3Å; E102-M104 PolarHBondContact O-N 3.08Å; M104-S108 WeakPolarHBondContact O-CB 3.38Å; M104-S108 PolarHBondContact O-N 2.88Å; M104-S108 PolarHBondContact O-OG 2.89Å; M104-M124 HydrophobicContact CE-CG 4.05Å; M104-M124 HydrophobicContact SD-CG 4.32Å; M104-A127 HydrophobicContact CB-CB 4.32Å; M104-A127 HydrophobicContact SD-CB 4.01Å; M104-A128 HydrophobicContact CE-CB 3.73Å; M104-A128 HydrophobicContact SD-CB 3.68Å; M104-L131 HydrophobicContact CB-CD2 3.94Å; M104-L131 HydrophobicContact CG-CD2 3.82Å
105R87.9Confident87.4Confident148 Ų14862.3 Ų62.356%0.55831%0.313SS*.Hα-helixtrans-59.3-48.4175.4-177.6-175.2175.3175.13.7111.2E66 G101 E102 S108 G109E66-R105 HydrophobicContact CG-CG 4.47Å; E66-R105 VanDerWaalsContact OE1-CD 3.3Å; E66-R105 WeakPolarHBondContact OE1-CD 3.33Å; E66-R105 IonicContact OE1-CZ 2.75Å; E66-R105 IonicContact OE1-NE 3.21Å; E66-R105 PolarHBondContact OE1-NE 3.48Å; E66-R105 IonicContact OE1-NH1 2.67Å; E66-R105 PolarHBondContact OE1-NH1 2.95Å; E66-R105 IonicContact OE1-NH2 2.87Å; E66-R105 PolarHBondContact OE1-NH2 3.38Å; E66-R105 IonicContact OE2-NE 2.91Å; G101-R105 WeakPolarHBondContact O-CB 3.37Å; G101-R105 PolarHBondContact O-N 3.38Å; E102-R105 WeakPolarHBondContact O-CB 3.46Å; E102-R105 PolarHBondContact O-N 2.9Å; R105-S108 PolarHBondContact O-OG 3.46Å; R105-S108 VanDerWaalsContact O-OG 3.07Å; R105-G109 PolarHBondContact O-N 3.27Å
106Q89.6Confident86.4Confident125 Ų12562.8 Ų62.858%0.58433%0.326SS*.Hα-helixtrans-62.5-53.2177.5-176-177.3-0.900111.6E102 S108 G109 E110E102-Q106 PolarHBondContact O-N 3.42Å; Q106-S108 VanDerWaalsContact C-N 3.3Å; Q106-S108 PolarHBondContact O-N 3.34Å; Q106-G109 PolarHBondContact O-N 3.47Å; Q106-E110 WeakPolarHBondContact CG-OE1 3.29Å; Q106-E110 PolarHBondContact NE2-OE1 3.26Å; Q106-E110 WeakPolarHBondContact O-CG 3.18Å; Q106-E110 PolarHBondContact O-N 3.01Å
107A87.3Confident85.7Confident10 Ų1061.1 Ų61.18%0.08332%0.319CS..Hα-helixtrans-65.2-33.9-176.400000112.7S103 F111 M124 A127S103-A107 VanDerWaalsContact O-CB 3.31Å; S103-A107 WeakPolarHBondContact O-CB 3.29Å; S103-A107 PolarHBondContact O-N 3.2Å; A107-F111 WeakPolarHBondContact O-CB 3.23Å; A107-F111 PolarHBondContact O-N 3.39Å; A107-F111 VanDerWaalsContact O-N 3.12Å; A107-M124 HydrophobicContact CB-CB 4.23Å; A107-A127 HydrophobicContact CB-CB 4.11Å
108S84Confident84.8Confident5 Ų565.7 Ų65.74%0.03535%0.352CS..Hα-helixtrans-73.8-33.7174.964.60000112.7M104 R105 Q106 A112M104-S108 WeakPolarHBondContact O-CB 3.38Å; M104-S108 PolarHBondContact O-N 2.88Å; M104-S108 PolarHBondContact O-OG 2.89Å; R105-S108 PolarHBondContact O-OG 3.46Å; R105-S108 VanDerWaalsContact O-OG 3.07Å; Q106-S108 VanDerWaalsContact C-N 3.3Å; Q106-S108 PolarHBondContact O-N 3.34Å; S108-A112 VanDerWaalsContact O-CB 3.23Å; S108-A112 WeakPolarHBondContact O-CB 3.18Å; S108-A112 PolarHBondContact O-N 3.36Å
109G83.7Confident84.1Confident28 Ų2867.7 Ų67.729%0.28937%0.37SS..Hα-helixtrans-63.7-5217100000112.3R105 Q106 F111 A112 E113R105-G109 PolarHBondContact O-N 3.27Å; Q106-G109 PolarHBondContact O-N 3.47Å; G109-F111 VanDerWaalsContact C-N 3.28Å; G109-F111 PolarHBondContact O-N 2.87Å; G109-A112 WeakPolarHBondContact O-CB 3.34Å; G109-A112 PolarHBondContact O-N 3.32Å; G109-E113 PolarHBondContact O-N 3.03Å
110E85.3Confident83.5Confident68 Ų6863.8 Ų63.832%0.31835%0.353SS..Hα-helixtrans-58.8-39.3177.2-70.4176.3-164.700112.3Q106 D114 K120Q106-E110 WeakPolarHBondContact CG-OE1 3.29Å; Q106-E110 PolarHBondContact NE2-OE1 3.26Å; Q106-E110 WeakPolarHBondContact O-CG 3.18Å; Q106-E110 PolarHBondContact O-N 3.01Å; E110-D114 PolarHBondContact O-N 3.44Å; E110-D114 VanDerWaalsContact O-N 3.17Å; E110-K120 HydrophobicContact CB-CD 4.39Å; E110-K120 WeakPolarHBondContact O-CD 3.19Å
111F81.7Confident82.6Confident13 Ų1365.9 Ų65.96%0.05736%0.359CS..Hα-helixtrans-69.5-36.5173.3172.3-103.8000112.5L39 A58 A107 G109 E113 D114 P115 R121 M124L39-F111 HydrophobicContact CD1-CE1 4.31Å; A58-F111 HydrophobicContact CB-CE1 4.43Å; A107-F111 WeakPolarHBondContact O-CB 3.23Å; A107-F111 PolarHBondContact O-N 3.39Å; A107-F111 VanDerWaalsContact O-N 3.12Å; G109-F111 VanDerWaalsContact C-N 3.28Å; G109-F111 PolarHBondContact O-N 2.87Å; F111-E113 VanDerWaalsContact C-N 3.28Å; F111-E113 PolarHBondContact O-N 3.46Å; F111-D114 CarbonylContact O-C 3.56Å; F111-D114 PolarHBondContact O-N 2.87Å; F111-P115 HydrophobicContact CE2-CB 4.21Å; F111-P115 WeakPolarHBondContact CE2-O 3.42Å; F111-P115 HydrophobicContact CZ-CB 4.17Å; F111-P115 WeakPolarHBondContact O-CA 2.93Å; F111-R121 HydrophobicContact CD2-CB 3.99Å; F111-R121 HydrophobicContact CE2-CB 3.92Å; F111-R121 HydrophobicContact CE2-CG 4.21Å; F111-M124 HydrophobicContact CB-CB 4.4Å; F111-M124 HydrophobicContact CB-SD 4.16Å; F111-M124 HydrophobicContact CD1-SD 3.45Å; F111-M124 WeakPolarHBondContact CD1-SD 3.38Å; F111-M124 HydrophobicContact CE1-SD 3.97Å; F111-M124 HydrophobicContact CG-SD 3.81Å
112A79.9Confident82Confident28 Ų2866.8 Ų66.823%0.23137%0.368CS..Hα-helixtrans-66.7-32.4178.500000112.4A58 S108 G109A58-A112 HydrophobicContact CB-CB 3.79Å; S108-A112 VanDerWaalsContact O-CB 3.23Å; S108-A112 WeakPolarHBondContact O-CB 3.18Å; S108-A112 PolarHBondContact O-N 3.36Å; G109-A112 WeakPolarHBondContact O-CB 3.34Å; G109-A112 PolarHBondContact O-N 3.32Å
113E82.1Confident81.7Confident164 Ų16463.5 Ų63.577%0.76636%0.355SS*.Hα-helixtrans-73.3-36.7173.1-68.4178.217300112.6G109 F111G109-E113 PolarHBondContact O-N 3.03Å; F111-E113 VanDerWaalsContact C-N 3.28Å; F111-E113 PolarHBondContact O-N 3.46Å
114D77.4Confident81.3Confident63 Ų6361 Ų6134%0.33734%0.338SS..  trans-133.176.7179.2-177.89.8000112.3E110 F111 C116 S117 K120E110-D114 PolarHBondContact O-N 3.44Å; E110-D114 VanDerWaalsContact O-N 3.17Å; F111-D114 CarbonylContact O-C 3.56Å; F111-D114 PolarHBondContact O-N 2.87Å; D114-C116 PolarHBondContact O-N 3.35Å; D114-C116 VanDerWaalsContact O-N 3.16Å; D114-S117 PolarHBondContact O-N 2.94Å; D114-S117 PolarHBondContact OD1-N 3Å; D114-S117 VanDerWaalsContact OD2-CB 3.31Å; D114-S117 WeakPolarHBondContact OD2-CB 3.5Å; D114-K120 HydrophobicContact CB-CD 3.93Å; D114-K120 IonicContact OD2-NZ 3.69Å
115P70.6Confident80.9Confident69 Ų6962 Ų6245%0.44834%0.343SS..THydrogen-bonded Turntrans-74.4-5.2-173.828.1-35.5000113.7F111F111-P115 HydrophobicContact CE2-CB 4.21Å; F111-P115 WeakPolarHBondContact CE2-O 3.42Å; F111-P115 HydrophobicContact CZ-CB 4.17Å; F111-P115 WeakPolarHBondContact O-CA 2.93Å
116C73.3Confident80.8Confident111 Ų11163 Ų6375%0.7535%0.347SS*.THydrogen-bonded Turntrans-93.9-11.2178.8-62.30000112.5D114 S118D114-C116 PolarHBondContact O-N 3.35Å; D114-C116 VanDerWaalsContact O-N 3.16Å; C116-S118 PolarHBondContact O-N 3.42Å
117S78.3Confident80.7Confident27 Ų2757.4 Ų57.419%0.18932%0.322CS..  trans-75.5117.7177.7175.30000112.3D114 V119 K120 R121D114-S117 PolarHBondContact O-N 2.94Å; D114-S117 PolarHBondContact OD1-N 3Å; D114-S117 VanDerWaalsContact OD2-CB 3.31Å; D114-S117 WeakPolarHBondContact OD2-CB 3.5Å; S117-V119 VanDerWaalsContact C-N 3.31Å; S117-V119 PolarHBondContact O-N 3.07Å; S117-K120 PolarHBondContact OG-N 3.3Å; S117-R121 WeakPolarHBondContact O-CB 3.47Å; S117-R121 PolarHBondContact O-N 3.31Å; S117-R121 VanDerWaalsContact O-N 3.09Å
118S73.9Confident80.5Confident97 Ų9756.9 Ų56.968%0.67832%0.318SS*.Hα-helixtrans-65.1-34.1175.957.70000112.7C116 G122C116-S118 PolarHBondContact O-N 3.42Å; S118-G122 PolarHBondContact O-N 3.02Å
119V79.1Confident80.6Confident97 Ų9765.3 Ų65.359%0.58835%0.349SS*.Hα-helixtrans-71-49.8179.9179.20000110.7S117 R121 G122 N123S117-V119 VanDerWaalsContact C-N 3.31Å; S117-V119 PolarHBondContact O-N 3.07Å; V119-R121 VanDerWaalsContact C-N 3.28Å; V119-R121 PolarHBondContact O-N 3.21Å; V119-G122 PolarHBondContact O-N 3.46Å; V119-N123 PolarHBondContact O-N 3.38Å
120K80.7Confident80.8Confident60 Ų6065.7 Ų65.726%0.26135%0.349SS..Hα-helixtrans-61.6-38.6177.2-69.4177.8169.2-176.40111.5E110 D114 S117 N123 M124E110-K120 HydrophobicContact CB-CD 4.39Å; E110-K120 WeakPolarHBondContact O-CD 3.19Å; D114-K120 HydrophobicContact CB-CD 3.93Å; D114-K120 IonicContact OD2-NZ 3.69Å; S117-K120 PolarHBondContact OG-N 3.3Å; K120-N123 PolarHBondContact O-N 3.35Å; K120-M124 PolarHBondContact O-N 3.35Å
121R76.1Confident81Confident82 Ų8262.4 Ų62.431%0.30933%0.334SS..Hα-helixtrans-59.3-48.9170.1-177.9-176.1170.1-124.9-5112V40 S43 F111 S117 V119 N123 M124 V125V40-R121 PolarHBondContact O-NH2 3.44Å; S43-R121 PolarHBondContact OG-NE 2.97Å; S43-R121 PolarHBondContact OG-NH2 2.8Å; F111-R121 HydrophobicContact CD2-CB 3.99Å; F111-R121 HydrophobicContact CE2-CB 3.92Å; F111-R121 HydrophobicContact CE2-CG 4.21Å; S117-R121 WeakPolarHBondContact O-CB 3.47Å; S117-R121 PolarHBondContact O-N 3.31Å; S117-R121 VanDerWaalsContact O-N 3.09Å; V119-R121 VanDerWaalsContact C-N 3.28Å; V119-R121 PolarHBondContact O-N 3.21Å; R121-N123 VanDerWaalsContact C-N 3.29Å; R121-N123 PolarHBondContact O-N 3.05Å; R121-M124 PolarHBondContact O-N 3.23Å; R121-V125 HydrophobicContact CG-CG2 4.38Å; R121-V125 VanDerWaalsContact O-CG2 3.26Å; R121-V125 WeakPolarHBondContact O-CG2 3.37Å; R121-V125 PolarHBondContact O-N 3.19Å
122G77Confident81.2Confident29 Ų2964 Ų6430%0.29934%0.343SS..Hα-helixtrans-59.7-37.7178.500000113.1S118 V119 R126S118-G122 PolarHBondContact O-N 3.02Å; V119-G122 PolarHBondContact O-N 3.46Å; G122-R126 WeakPolarHBondContact O-CG 3.35Å; G122-R126 PolarHBondContact O-N 2.97Å; G122-R126 VanDerWaalsContact O-N 3.16Å
123N85.2Confident81.6Confident57 Ų5765.3 Ų65.331%0.30535%0.351SS..Hα-helixtrans-64.8-48174.3-67.6-11000111.6V119 K120 R121 V125 R126 A127V119-N123 PolarHBondContact O-N 3.38Å; K120-N123 PolarHBondContact O-N 3.35Å; R121-N123 VanDerWaalsContact C-N 3.29Å; R121-N123 PolarHBondContact O-N 3.05Å; N123-V125 PolarHBondContact O-N 2.8Å; N123-R126 PolarHBondContact O-N 3.36Å; N123-R126 PolarHBondContact OD1-NH2 2.69Å; N123-A127 PolarHBondContact O-N 2.68Å
124M85.4Confident81.9Confident0 Ų057.7 Ų57.70%032%0.316CS..Hα-helixtrans-59.9-42.9176.1-179.8-150.870.200112.3L39 M104 A107 F111 K120 R121 R126 A127 A128L39-M124 HydrophobicContact CD1-SD 4.06Å; L39-M124 HydrophobicContact CD2-CE 4.39Å; L39-M124 HydrophobicContact CD2-CG 4.31Å; L39-M124 HydrophobicContact CD2-SD 3.62Å; L39-M124 HydrophobicContact CG-CE 3.94Å; L39-M124 HydrophobicContact CG-SD 3.55Å; L39-M124 VanDerWaalsContact CG-SD 3.55Å; M104-M124 HydrophobicContact CE-CG 4.05Å; M104-M124 HydrophobicContact SD-CG 4.32Å; A107-M124 HydrophobicContact CB-CB 4.23Å; F111-M124 HydrophobicContact CB-CB 4.4Å; F111-M124 HydrophobicContact CB-SD 4.16Å; F111-M124 HydrophobicContact CD1-SD 3.45Å; F111-M124 WeakPolarHBondContact CD1-SD 3.38Å; F111-M124 HydrophobicContact CE1-SD 3.97Å; F111-M124 HydrophobicContact CG-SD 3.81Å; K120-M124 PolarHBondContact O-N 3.35Å; R121-M124 PolarHBondContact O-N 3.23Å; M124-R126 VanDerWaalsContact C-N 3.32Å; M124-R126 PolarHBondContact O-N 3.31Å; M124-A127 PolarHBondContact O-N 3.05Å; M124-A128 WeakPolarHBondContact O-CB 3.47Å; M124-A128 PolarHBondContact O-N 2.88Å
125V80.8Confident82.5Confident21 Ų2154.7 Ų54.713%0.12730%0.3CS..Hα-helixtrans-62.3-40.2177.7175.50000111.4V40 R121 N123 A128 R129V40-V125 HydrophobicContact CB-CG2 4.41Å; V40-V125 HydrophobicContact CG1-CG1 4.12Å; V40-V125 HydrophobicContact CG1-CG2 3.98Å; V40-V125 HydrophobicContact CG2-CG1 4.38Å; V40-V125 HydrophobicContact CG2-CG2 4.06Å; R121-V125 HydrophobicContact CG-CG2 4.38Å; R121-V125 VanDerWaalsContact O-CG2 3.26Å; R121-V125 WeakPolarHBondContact O-CG2 3.37Å; R121-V125 PolarHBondContact O-N 3.19Å; N123-V125 PolarHBondContact O-N 2.8Å; V125-A128 PolarHBondContact O-N 3.29Å; V125-R129 WeakPolarHBondContact O-CG 3.21Å; V125-R129 PolarHBondContact O-N 3.45Å; V125-R129 VanDerWaalsContact O-N 3.07Å
126R85.1Confident83.3Confident170 Ų17052.1 Ų52.164%0.64228%0.283SS*.Hα-helixtrans-65.7-46.3176.4-74.8-173.4-72.3-176.9-0.7111.5G122 N123 M124 A128 R129 A130G122-R126 WeakPolarHBondContact O-CG 3.35Å; G122-R126 PolarHBondContact O-N 2.97Å; G122-R126 VanDerWaalsContact O-N 3.16Å; N123-R126 PolarHBondContact O-N 3.36Å; N123-R126 PolarHBondContact OD1-NH2 2.69Å; M124-R126 VanDerWaalsContact C-N 3.32Å; M124-R126 PolarHBondContact O-N 3.31Å; R126-A128 VanDerWaalsContact C-N 3.31Å; R126-A128 PolarHBondContact O-N 3.35Å; R126-R129 PolarHBondContact O-N 3.14Å; R126-A130 PolarHBondContact O-N 3.16Å
127A87.3Confident84Confident6 Ų649.4 Ų49.45%0.0526%0.259CS..Hα-helixtrans-59.9-41.117600000111.8M104 A107 N123 M124 R129 A130 L131M104-A127 HydrophobicContact CB-CB 4.32Å; M104-A127 HydrophobicContact SD-CB 4.01Å; A107-A127 HydrophobicContact CB-CB 4.11Å; N123-A127 PolarHBondContact O-N 2.68Å; M124-A127 PolarHBondContact O-N 3.05Å; A127-R129 PolarHBondContact O-N 3.37Å; A127-A130 PolarHBondContact O-N 2.73Å; A127-L131 WeakPolarHBondContact O-CB 3.44Å; A127-L131 PolarHBondContact O-N 2.61Å
128A84.3Confident84.5Confident0 Ų048.3 Ų48.30%025%0.251CS..Hα-helixtrans-66.9-37.7178.500000113.3V36 M104 M124 V125 R126 L132V36-A128 HydrophobicContact CG1-CB 3.63Å; V36-A128 HydrophobicContact CG2-CB 4.26Å; M104-A128 HydrophobicContact CE-CB 3.73Å; M104-A128 HydrophobicContact SD-CB 3.68Å; M124-A128 WeakPolarHBondContact O-CB 3.47Å; M124-A128 PolarHBondContact O-N 2.88Å; V125-A128 PolarHBondContact O-N 3.29Å; R126-A128 VanDerWaalsContact C-N 3.31Å; R126-A128 PolarHBondContact O-N 3.35Å; A128-L132 WeakPolarHBondContact O-CB 3.43Å; A128-L132 PolarHBondContact O-N 2.92Å
129R84.5Confident85.1Confident181 Ų18144.6 Ų44.668%0.68322%0.223SC*.Hα-helixtrans-67.2-41.9174.2-74.1178.9-177.9-176.10.1111.8V125 R126 A127 L132 S133V125-R129 WeakPolarHBondContact O-CG 3.21Å; V125-R129 PolarHBondContact O-N 3.45Å; V125-R129 VanDerWaalsContact O-N 3.07Å; R126-R129 PolarHBondContact O-N 3.14Å; A127-R129 PolarHBondContact O-N 3.37Å; R129-L132 PolarHBondContact O-N 3.45Å; R129-S133 PolarHBondContact O-N 3.29Å
130A88.8Confident85.4Confident36 Ų3640.2 Ų40.230%0.29820%0.197SC..Hα-helixtrans-63-44.8176.100000111.2Q100 R126 A127 L132 S133 A134Q100-A130 HydrophobicContact CG-CB 4.35Å; R126-A130 PolarHBondContact O-N 3.16Å; A127-A130 PolarHBondContact O-N 2.73Å; A130-L132 PolarHBondContact O-N 3.03Å; A130-S133 WeakPolarHBondContact O-CB 3.43Å; A130-S133 PolarHBondContact O-N 2.87Å; A130-A134 PolarHBondContact O-N 3.05Å
131L88.7Confident85.6Confident0 Ų037.5 Ų37.50%019%0.185CC..Hα-helixtrans-59.9-45.8174.4178.561.9000112V65 T69 V97 Q100 M104 A127 S133 A134 V135V65-L131 HydrophobicContact CG1-CD2 4.04Å; T69-L131 HydrophobicContact CG2-CD1 4Å; V97-L131 HydrophobicContact CG1-CD1 4.43Å; Q100-L131 HydrophobicContact CB-CB 4.25Å; Q100-L131 HydrophobicContact CB-CD1 4.23Å; M104-L131 HydrophobicContact CB-CD2 3.94Å; M104-L131 HydrophobicContact CG-CD2 3.82Å; A127-L131 WeakPolarHBondContact O-CB 3.44Å; A127-L131 PolarHBondContact O-N 2.61Å; L131-S133 VanDerWaalsContact C-N 3.29Å; L131-S133 PolarHBondContact O-N 3.47Å; L131-A134 PolarHBondContact O-N 2.98Å; L131-V135 HydrophobicContact CD1-CG2 3.9Å; L131-V135 HydrophobicContact CG-CG2 4.35Å; L131-V135 WeakPolarHBondContact O-CG2 3.3Å; L131-V135 PolarHBondContact O-N 2.94Å
132L87.1Confident86Confident46 Ų4634.3 Ų34.324%0.24118%0.176CC..Hα-helixtrans-61-40.4177.9-17763.2000111.7L29 L32 V33 A128 R129 A130 T136L29-L132 HydrophobicContact CD2-CD1 4.2Å; L32-L132 HydrophobicContact CD2-CD1 4.26Å; V33-L132 HydrophobicContact CG2-CD1 3.61Å; V33-L132 HydrophobicContact CG2-CD2 4.2Å; A128-L132 WeakPolarHBondContact O-CB 3.43Å; A128-L132 PolarHBondContact O-N 2.92Å; R129-L132 PolarHBondContact O-N 3.45Å; A130-L132 PolarHBondContact O-N 3.03Å; L132-T136 VanDerWaalsContact O-CB 3.31Å; L132-T136 WeakPolarHBondContact O-CB 3.37Å; L132-T136 PolarHBondContact O-N 2.73Å; L132-T136 PolarHBondContact O-OG1 2.81Å
133S88.1Confident86.5Confident56 Ų5633.5 Ų33.539%0.39217%0.165SC..Hα-helixtrans-63.2-46.7175.4-168.60000111.9R129 A130 L131 T136 H137R129-S133 PolarHBondContact O-N 3.29Å; A130-S133 WeakPolarHBondContact O-CB 3.43Å; A130-S133 PolarHBondContact O-N 2.87Å; L131-S133 VanDerWaalsContact C-N 3.29Å; L131-S133 PolarHBondContact O-N 3.47Å; S133-T136 PolarHBondContact O-N 3.44Å; S133-H137 PolarHBondContact O-N 2.98Å
134A89.1Confident86.5Confident4 Ų430.8 Ų30.83%0.03315%0.151CC..Hα-helixtrans-64.1-44.4179.700000111.9V97 Q100 A130 L131 T136 H137 L138V97-A134 HydrophobicContact CG2-CB 3.86Å; V97-A134 WeakPolarHBondContact CG2-O 3.42Å; Q100-A134 HydrophobicContact CB-CB 4.41Å; Q100-A134 HydrophobicContact CG-CB 3.94Å; A130-A134 PolarHBondContact O-N 3.05Å; L131-A134 PolarHBondContact O-N 2.98Å; A134-T136 PolarHBondContact O-N 3.15Å; A134-H137 PolarHBondContact O-N 2.91Å; A134-L138 PolarHBondContact O-N 3.31Å
135V88.8Confident86.5Confident0 Ų030.8 Ų30.80%015%0.151CC..Hα-helixtrans-65.9-39.6177.2174.80000111.2L29 L32 F72 V97 L131 H137 L138 L139L29-V135 HydrophobicContact CD2-CG1 3.87Å; L32-V135 HydrophobicContact CD2-CB 3.91Å; L32-V135 HydrophobicContact CD2-CG1 3.85Å; L32-V135 HydrophobicContact CD2-CG2 3.87Å; F72-V135 HydrophobicContact CD1-CG1 4.03Å; F72-V135 HydrophobicContact CD2-CG1 4.02Å; F72-V135 HydrophobicContact CE1-CG1 4Å; F72-V135 HydrophobicContact CE2-CG1 3.99Å; F72-V135 HydrophobicContact CG-CG1 4.05Å; F72-V135 HydrophobicContact CZ-CG1 3.98Å; V97-V135 HydrophobicContact CG1-CG2 3.9Å; V97-V135 HydrophobicContact CG2-CG2 4.08Å; L131-V135 HydrophobicContact CD1-CG2 3.9Å; L131-V135 HydrophobicContact CG-CG2 4.35Å; L131-V135 WeakPolarHBondContact O-CG2 3.3Å; L131-V135 PolarHBondContact O-N 2.94Å; V135-H137 VanDerWaalsContact C-N 3.33Å; V135-H137 PolarHBondContact O-N 2.74Å; V135-L138 PolarHBondContact O-N 2.92Å; V135-L139 HydrophobicContact CG1-CD1 4.09Å; V135-L139 HydrophobicContact CG1-CG 4.45Å; V135-L139 WeakPolarHBondContact O-CG 3.45Å; V135-L139 PolarHBondContact O-N 3.44Å
136T87.1Confident86.7Confident15 Ų1532.5 Ų32.59%0.09216%0.159CC..Hα-helixtrans-61.6-43.9174.7-56.70000110.7I20 L29 L132 S133 A134 L139 V140I20-T136 HydrophobicContact CD1-CG2 4.19Å; I20-T136 HydrophobicContact CG1-CG2 4.04Å; L29-T136 HydrophobicContact CD1-CG2 4.09Å; L132-T136 VanDerWaalsContact O-CB 3.31Å; L132-T136 WeakPolarHBondContact O-CB 3.37Å; L132-T136 PolarHBondContact O-N 2.73Å; L132-T136 PolarHBondContact O-OG1 2.81Å; S133-T136 PolarHBondContact O-N 3.44Å; A134-T136 PolarHBondContact O-N 3.15Å; T136-L139 PolarHBondContact O-N 3.21Å; T136-V140 HydrophobicContact CG2-CG2 4.4Å; T136-V140 VanDerWaalsContact O-CG2 3.32Å; T136-V140 WeakPolarHBondContact O-CG2 3.21Å; T136-V140 PolarHBondContact O-N 3.09Å
137H88.2Confident86.9Confident53 Ų5324.5 Ų24.525%0.24513%0.129CC..Hα-helixtrans-62.3-45.1177.9-170-156.5000112.3P15 L18 S133 A134 V135 L139 V140 L141P15-H137 PolarHBondContact O-NE2 3.5Å; L18-H137 HydrophobicContact CD2-CB 3.68Å; S133-H137 PolarHBondContact O-N 2.98Å; A134-H137 PolarHBondContact O-N 2.91Å; V135-H137 VanDerWaalsContact C-N 3.33Å; V135-H137 PolarHBondContact O-N 2.74Å; H137-L139 PolarHBondContact O-N 2.9Å; H137-V140 PolarHBondContact O-N 3.31Å; H137-L141 WeakPolarHBondContact O-CG 3.42Å; H137-L141 PolarHBondContact O-N 3.12Å
138L88.6Confident86.9Confident5 Ų524.6 Ų24.63%0.02613%0.128CC..Hα-helixtrans-57.1-47.2175.3174.161.9000112L90 A93 V94 V97 A134 V135 L141 A142L90-L138 HydrophobicContact CD2-CD1 4.13Å; A93-L138 HydrophobicContact CB-CB 4.29Å; A93-L138 HydrophobicContact CB-CD1 4.11Å; V94-L138 HydrophobicContact CG2-CD1 3.68Å; V94-L138 HydrophobicContact CG2-CD2 4.31Å; V97-L138 HydrophobicContact CG2-CB 4.08Å; V97-L138 HydrophobicContact CG2-CD2 4.01Å; A134-L138 PolarHBondContact O-N 3.31Å; V135-L138 PolarHBondContact O-N 2.92Å; L138-L141 PolarHBondContact O-N 3.02Å; L138-A142 PolarHBondContact O-N 3.19Å
139L87.3Confident87.1Confident19 Ų1928 Ų2810%0.09914%0.143CC..Hα-helixtrans-68.9-37.4-178.6-70175.5000112.6V25 L28 L29 F72 V135 T136 H137 A142 D143V25-L139 HydrophobicContact CG1-CB 3.86Å; V25-L139 HydrophobicContact CG1-CD1 4.33Å; V25-L139 HydrophobicContact CG2-CB 4.17Å; L28-L139 HydrophobicContact CB-CD1 4.04Å; L28-L139 HydrophobicContact CD1-CD2 4.03Å; L29-L139 HydrophobicContact CD1-CD1 4.47Å; L29-L139 HydrophobicContact CD2-CD1 3.7Å; L29-L139 HydrophobicContact CG-CD1 3.68Å; F72-L139 HydrophobicContact CD1-CD2 4.38Å; F72-L139 HydrophobicContact CE1-CD1 3.96Å; F72-L139 HydrophobicContact CE1-CD2 4.15Å; F72-L139 HydrophobicContact CE1-CG 4.41Å; V135-L139 HydrophobicContact CG1-CD1 4.09Å; V135-L139 HydrophobicContact CG1-CG 4.45Å; V135-L139 WeakPolarHBondContact O-CG 3.45Å; V135-L139 PolarHBondContact O-N 3.44Å; T136-L139 PolarHBondContact O-N 3.21Å; H137-L139 PolarHBondContact O-N 2.9Å; L139-A142 PolarHBondContact O-N 3.09Å; L139-D143 PolarHBondContact O-N 3.06Å
140V85.7Confident87.4Confident5 Ų519.6 Ų19.63%0.0311%0.112CC..Hα-helixtrans-63.8-44.4173.4169.60000110.5T136 H137 A142 D143 M144T136-V140 HydrophobicContact CG2-CG2 4.4Å; T136-V140 VanDerWaalsContact O-CG2 3.32Å; T136-V140 WeakPolarHBondContact O-CG2 3.21Å; T136-V140 PolarHBondContact O-N 3.09Å; H137-V140 PolarHBondContact O-N 3.31Å; V140-A142 VanDerWaalsContact C-N 3.32Å; V140-A142 PolarHBondContact O-N 2.92Å; V140-D143 WeakPolarHBondContact O-CB 3.12Å; V140-D143 PolarHBondContact O-N 3.34Å; V140-M144 HydrophobicContact CG1-CE 3.56Å; V140-M144 HydrophobicContact CG1-CG 4.37Å; V140-M144 WeakPolarHBondContact O-CG 3.19Å; V140-M144 PolarHBondContact O-N 3.18Å
141L84.9Confident87.5Confident2 Ų218.2 Ų18.21%0.0110%0.099CC..Hα-helixtrans-62.8-36.8175.7-75174000112.8P15 E89 L90 A93 H137 L138 M144 S145P15-L141 HydrophobicContact CB-CD2 4.01Å; E89-L141 HydrophobicContact CB-CD1 4.31Å; L90-L141 HydrophobicContact CD2-CB 3.68Å; L90-L141 HydrophobicContact CG-CB 4.28Å; A93-L141 HydrophobicContact CB-CD1 3.76Å; H137-L141 WeakPolarHBondContact O-CG 3.42Å; H137-L141 PolarHBondContact O-N 3.12Å; L138-L141 PolarHBondContact O-N 3.02Å; L141-M144 WeakPolarHBondContact O-CB 3.4Å; L141-M144 PolarHBondContact O-N 2.85Å; L141-S145 PolarHBondContact O-N 3.32Å
142A85Confident87.6Confident15 Ų1520.7 Ų20.712%0.12411%0.114CC..Hα-helixtrans-64-42.9174.400000111.5I79 L90 L138 L139 V140 M144 S145 D146I79-A142 HydrophobicContact CD1-CB 4.38Å; I79-A142 HydrophobicContact CG2-CB 4.28Å; L90-A142 HydrophobicContact CD2-CB 4.45Å; L138-A142 PolarHBondContact O-N 3.19Å; L139-A142 PolarHBondContact O-N 3.09Å; V140-A142 VanDerWaalsContact C-N 3.32Å; V140-A142 PolarHBondContact O-N 2.92Å; A142-M144 VanDerWaalsContact C-N 3.34Å; A142-S145 WeakPolarHBondContact O-CB 3.44Å; A142-S145 PolarHBondContact O-N 3.13Å; A142-D146 PolarHBondContact O-N 3.06Å; A142-D146 VanDerWaalsContact O-N 3.14Å
143D86.5Confident87.9Confident13 Ų1318.9 Ų18.97%0.0710%0.104CC..Hα-helixtrans-62.3-41174-16852.3000111.7W13 T22 V25 L139 V140 S145 D146 V147 R194W13-D143 VanDerWaalsContact CH2-OD2 3.24Å; W13-D143 WeakPolarHBondContact CH2-OD2 3.33Å; W13-D143 WeakPolarHBondContact CZ3-OD2 3.11Å; T22-D143 WeakPolarHBondContact CG2-OD1 3.32Å; T22-D143 WeakPolarHBondContact CG2-OD2 3.41Å; V25-D143 HydrophobicContact CG2-CB 4.34Å; L139-D143 PolarHBondContact O-N 3.06Å; V140-D143 WeakPolarHBondContact O-CB 3.12Å; V140-D143 PolarHBondContact O-N 3.34Å; D143-S145 VanDerWaalsContact C-N 3.3Å; D143-S145 PolarHBondContact O-N 3.47Å; D143-D146 PolarHBondContact O-N 3.39Å; D143-V147 WeakPolarHBondContact O-CG2 3.37Å; D143-V147 PolarHBondContact O-N 3.4Å; D143-R194 VanDerWaalsContact CG-NH1 3.28Å; D143-R194 IonicContact OD1-NH1 3.2Å; D143-R194 PolarHBondContact OD1-NH1 3.24Å; D143-R194 IonicContact OD2-CZ 2.83Å; D143-R194 IonicContact OD2-NH1 3.13Å; D143-R194 PolarHBondContact OD2-NH1 3.24Å; D143-R194 IonicContact OD2-NH2 3.44Å
144M85.9Confident88.2Confident0 Ų016.8 Ų16.80%09%0.088CC..Hα-helixtrans-58.3-42.9174.7-55.9-137.9173.500111.8F11 W13 D14 L86 V140 L141 A142 D146 V147 Y148F11-M144 HydrophobicContact CE1-CB 4.45Å; F11-M144 HydrophobicContact CE1-SD 3.97Å; F11-M144 HydrophobicContact CZ-CB 3.92Å; F11-M144 HydrophobicContact CZ-CG 4.37Å; F11-M144 HydrophobicContact CZ-SD 4.07Å; W13-M144 HydrophobicContact CB-CE 3.97Å; W13-M144 HydrophobicContact CB-SD 3.91Å; W13-M144 HydrophobicContact CE3-CB 4.2Å; W13-M144 HydrophobicContact CE3-CE 4.02Å; W13-M144 HydrophobicContact CE3-CG 3.64Å; W13-M144 HydrophobicContact CE3-SD 3.94Å; W13-M144 HydrophobicContact CZ3-CG 4.06Å; D14-M144 WeakPolarHBondContact O-CE 3.38Å; L86-M144 HydrophobicContact CD1-CB 3.66Å; V140-M144 HydrophobicContact CG1-CE 3.56Å; V140-M144 HydrophobicContact CG1-CG 4.37Å; V140-M144 WeakPolarHBondContact O-CG 3.19Å; V140-M144 PolarHBondContact O-N 3.18Å; L141-M144 WeakPolarHBondContact O-CB 3.4Å; L141-M144 PolarHBondContact O-N 2.85Å; A142-M144 VanDerWaalsContact C-N 3.34Å; M144-D146 VanDerWaalsContact C-N 3.35Å; M144-V147 PolarHBondContact O-N 3.06Å; M144-Y148 WeakPolarHBondContact O-CB 3.47Å; M144-Y148 PolarHBondContact O-N 3.19Å
145S84.7Confident88.4Confident0 Ų019.4 Ų19.40%010%0.099CC..Hα-helixtrans-62.4-41.4177.1-179.30000111.6S83 L141 A142 D143 Y148 K149S83-S145 PolarHBondContact OG-OG 3.42Å; L141-S145 PolarHBondContact O-N 3.32Å; A142-S145 WeakPolarHBondContact O-CB 3.44Å; A142-S145 PolarHBondContact O-N 3.13Å; D143-S145 VanDerWaalsContact C-N 3.3Å; D143-S145 PolarHBondContact O-N 3.47Å; S145-Y148 PolarHBondContact O-N 3.15Å; S145-K149 WeakPolarHBondContact O-CG 3.31Å; S145-K149 PolarHBondContact O-N 2.94Å
146D85.6Confident88.6Confident57 Ų5722.5 Ų22.531%0.30512%0.115SC..Hα-helixtrans-67.4-40.8177.4-841000112.6A142 D143 M144 Y148 K149 L150 K193A142-D146 PolarHBondContact O-N 3.06Å; A142-D146 VanDerWaalsContact O-N 3.14Å; D143-D146 PolarHBondContact O-N 3.39Å; M144-D146 VanDerWaalsContact C-N 3.35Å; D146-Y148 VanDerWaalsContact C-N 3.31Å; D146-Y148 PolarHBondContact O-N 3.07Å; D146-K149 PolarHBondContact O-N 3.33Å; D146-K149 IonicContact OD1-NZ 3.92Å; D146-K149 PolarHBondContact OD1-NZ 3.22Å; D146-L150 PolarHBondContact O-N 3.31Å; D146-L150 VanDerWaalsContact O-N 3.08Å; D146-K193 IonicContact OD2-NZ 2.84Å; D146-K193 PolarHBondContact OD2-NZ 3.5Å
147V88.9Confident89Confident2 Ų221.8 Ų21.81%0.01211%0.111CC..Hα-helixtrans-62.5-41.1172.3176.20000110.7F11 W13 D143 M144 K149 L150 L151 R194 Q260F11-V147 HydrophobicContact CE2-CB 4.21Å; F11-V147 HydrophobicContact CE2-CG1 3.85Å; W13-V147 HydrophobicContact CH2-CG2 3.64Å; W13-V147 HydrophobicContact CZ2-CG2 4.14Å; W13-V147 HydrophobicContact CZ3-CG2 3.98Å; D143-V147 WeakPolarHBondContact O-CG2 3.37Å; D143-V147 PolarHBondContact O-N 3.4Å; M144-V147 PolarHBondContact O-N 3.06Å; V147-K149 PolarHBondContact O-N 2.93Å; V147-L150 WeakPolarHBondContact O-CB 3.46Å; V147-L150 PolarHBondContact O-N 3.29Å; V147-L151 HydrophobicContact CG1-CD1 4.35Å; V147-L151 HydrophobicContact CG1-CG 4.45Å; V147-L151 WeakPolarHBondContact O-CG 3.48Å; V147-L151 PolarHBondContact O-N 3.33Å; V147-R194 VanDerWaalsContact CG2-CZ 3.47Å; V147-Q260 HydrophobicContact CG1-CG 4.11Å
148Y86.8Confident89.4Confident7 Ų721.6 Ų21.63%0.02711%0.11CC..Hα-helixtrans-62.8-45.1177.9-163.8-78.6000112.1I4 T6 I9 F11 F85 M144 S145 D146 L150 L151 V152I4-Y148 HydrophobicContact CG2-CE2 4.46Å; T6-Y148 PolarHBondContact OG1-OH 3.09Å; I9-Y148 HydrophobicContact CD1-CE1 4.13Å; I9-Y148 HydrophobicContact CG2-CE2 4.33Å; F11-Y148 HydrophobicContact CD2-CD2 4.43Å; F11-Y148 HydrophobicContact CG-CD2 4.4Å; F85-Y148 HydrophobicContact CB-CD1 3.95Å; F85-Y148 HydrophobicContact CB-CE1 4.24Å; F85-Y148 HydrophobicContact CB-CG 4.3Å; F85-Y148 AromaticContact CD1-CD1 3.66Å; F85-Y148 HydrophobicContact CD1-CD1 3.66Å; F85-Y148 AromaticContact CD1-CE1 3.16Å; F85-Y148 HydrophobicContact CD1-CE1 3.16Å; F85-Y148 AromaticContact CD1-CZ 3.77Å; F85-Y148 AromaticContact CD2-CD1 3.39Å; F85-Y148 HydrophobicContact CD2-CD1 3.39Å; F85-Y148 AromaticContact CD2-CE1 3.76Å; F85-Y148 HydrophobicContact CD2-CE1 3.76Å; F85-Y148 HydrophobicContact CD2-CG 4.37Å; F85-Y148 AromaticContact CE1-CD1 3.99Å; F85-Y148 HydrophobicContact CE1-CD1 3.99Å; F85-Y148 AromaticContact CE1-CE1 3.28Å; F85-Y148 HydrophobicContact CE1-CE1 3.28Å; F85-Y148 AromaticContact CE2-CD1 3.73Å; F85-Y148 HydrophobicContact CE2-CD1 3.73Å; F85-Y148 AromaticContact CE2-CE1 3.85Å; F85-Y148 HydrophobicContact CE2-CE1 3.85Å; F85-Y148 AromaticContact CG-CD1 3.34Å; F85-Y148 HydrophobicContact CG-CD1 3.34Å; F85-Y148 AromaticContact CG-CE1 3.42Å; F85-Y148 HydrophobicContact CG-CE1 3.42Å; F85-Y148 VanDerWaalsContact CG-CE1 3.42Å; F85-Y148 HydrophobicContact CG-CG 4.17Å; F85-Y148 HydrophobicContact CZ-CD1 4.02Å; F85-Y148 AromaticContact CZ-CE1 3.62Å; F85-Y148 HydrophobicContact CZ-CE1 3.62Å; M144-Y148 WeakPolarHBondContact O-CB 3.47Å; M144-Y148 PolarHBondContact O-N 3.19Å; S145-Y148 PolarHBondContact O-N 3.15Å; D146-Y148 VanDerWaalsContact C-N 3.31Å; D146-Y148 PolarHBondContact O-N 3.07Å; Y148-L150 PolarHBondContact O-N 3.36Å; Y148-L151 PolarHBondContact O-N 3.15Å; Y148-L151 VanDerWaalsContact O-N 3.11Å; Y148-V152 HydrophobicContact CD1-CG2 3.7Å; Y148-V152 HydrophobicContact CE1-CG2 3.52Å; Y148-V152 WeakPolarHBondContact O-CG2 3.43Å; Y148-V152 PolarHBondContact O-N 3.27Å
149K87.9Confident89.6Confident73 Ų7324.6 Ų24.632%0.31713%0.126SC..Hα-helixtrans-56.4-41.3174.1-69.3169.1-160.5158.20111.3S145 D146 V147 V152 Q153 M190S145-K149 WeakPolarHBondContact O-CG 3.31Å; S145-K149 PolarHBondContact O-N 2.94Å; D146-K149 PolarHBondContact O-N 3.33Å; D146-K149 IonicContact OD1-NZ 3.92Å; D146-K149 PolarHBondContact OD1-NZ 3.22Å; V147-K149 PolarHBondContact O-N 2.93Å; K149-V152 PolarHBondContact O-N 2.92Å; K149-Q153 PolarHBondContact O-N 3.18Å; K149-M190 VanDerWaalsContact C-CE 3.49Å; K149-M190 HydrophobicContact CB-CE 3.74Å
150L91.8Very high90Very high4 Ų424.2 Ų24.22%0.02113%0.125CC..Hα-helixtrans-61.4-45176173.464.5000111.4D146 V147 Y148 V152 Q153 L154 L187 M190 A191 R194 A259D146-L150 PolarHBondContact O-N 3.31Å; D146-L150 VanDerWaalsContact O-N 3.08Å; V147-L150 WeakPolarHBondContact O-CB 3.46Å; V147-L150 PolarHBondContact O-N 3.29Å; Y148-L150 PolarHBondContact O-N 3.36Å; L150-V152 PolarHBondContact O-N 2.92Å; L150-Q153 PolarHBondContact O-N 3.47Å; L150-L154 VanDerWaalsContact O-CB 3.29Å; L150-L154 WeakPolarHBondContact O-CB 3.2Å; L150-L154 PolarHBondContact O-N 3.43Å; L150-L187 HydrophobicContact CD1-CD1 3.52Å; L150-M190 HydrophobicContact CB-CE 4.16Å; L150-M190 HydrophobicContact CD1-CB 3.66Å; L150-A191 HydrophobicContact CD1-CB 4.27Å; L150-R194 HydrophobicContact CD2-CB 4.13Å; L150-R194 HydrophobicContact CD2-CG 4.22Å; L150-A259 HydrophobicContact CD2-CB 3.6Å
151L91.4Very high90.5Very high7 Ų724.1 Ų24.14%0.03712%0.124CC..Hα-helixtrans-66.7-35.5178.7-63.6177.8000113.1I9 F11 V147 Y148 L154 K155 S256 Q260I9-L151 HydrophobicContact CG2-CB 3.97Å; I9-L151 HydrophobicContact CG2-CD1 4.07Å; F11-L151 HydrophobicContact CD2-CD1 3.85Å; V147-L151 HydrophobicContact CG1-CD1 4.35Å; V147-L151 HydrophobicContact CG1-CG 4.45Å; V147-L151 WeakPolarHBondContact O-CG 3.48Å; V147-L151 PolarHBondContact O-N 3.33Å; Y148-L151 PolarHBondContact O-N 3.15Å; Y148-L151 VanDerWaalsContact O-N 3.11Å; L151-L154 WeakPolarHBondContact O-CB 3.31Å; L151-L154 PolarHBondContact O-N 3.47Å; L151-K155 PolarHBondContact O-N 3.25Å; L151-S256 WeakPolarHBondContact CD2-OG 3.36Å; L151-Q260 HydrophobicContact CD1-CG 4.1Å; L151-Q260 HydrophobicContact CD2-CG 4.31Å
152V90.4Very high91Very high51 Ų5127.2 Ų27.231%0.30914%0.14SC..Hα-helixtrans-62.5-48.6172.7172.60000110.5I9 F85 Y148 K149 L150 L154 K155 L156I9-V152 HydrophobicContact CD1-CB 4.29Å; I9-V152 HydrophobicContact CD1-CG2 3.43Å; I9-V152 VanDerWaalsContact CD1-CG2 3.43Å; F85-V152 HydrophobicContact CE2-CG2 4.07Å; F85-V152 HydrophobicContact CZ-CG2 3.86Å; Y148-V152 HydrophobicContact CD1-CG2 3.7Å; Y148-V152 HydrophobicContact CE1-CG2 3.52Å; Y148-V152 WeakPolarHBondContact O-CG2 3.43Å; Y148-V152 PolarHBondContact O-N 3.27Å; K149-V152 PolarHBondContact O-N 2.92Å; L150-V152 PolarHBondContact O-N 2.92Å; V152-L154 PolarHBondContact O-N 3.48Å; V152-K155 PolarHBondContact O-N 2.96Å; V152-L156 PolarHBondContact O-N 3.42Å
153Q93.8Very high91.5Very high9 Ų931.3 Ų31.34%0.04216%0.155CC..Hα-helixtrans-60.7-38.1177.2-173.562.742.500111.3K149 L150 L156 V157 E183 K186 L187 M190K149-Q153 PolarHBondContact O-N 3.18Å; L150-Q153 PolarHBondContact O-N 3.47Å; Q153-L156 PolarHBondContact O-N 3.17Å; Q153-V157 WeakPolarHBondContact O-CG2 3.32Å; Q153-V157 PolarHBondContact O-N 3Å; Q153-E183 PolarHBondContact NE2-O 3.47Å; Q153-E183 PolarHBondContact NE2-OE2 2.97Å; Q153-K186 HydrophobicContact CG-CG 4.41Å; Q153-K186 VanDerWaalsContact OE1-CE 3.26Å; Q153-L187 HydrophobicContact CB-CD1 4.35Å; Q153-L187 HydrophobicContact CG-CB 3.9Å; Q153-L187 HydrophobicContact CG-CD1 4.17Å; Q153-M190 HydrophobicContact CB-SD 4.02Å; Q153-M190 HydrophobicContact CG-SD 4.05Å
154L94.4Very high91.9Very high11 Ų1130.7 Ų30.76%0.05815%0.152CC..Hα-helixtrans-63.8-43.1177.4-169.3125.9000112.1L150 L151 V152 V157 E158 L187 V252 I255L150-L154 VanDerWaalsContact O-CB 3.29Å; L150-L154 WeakPolarHBondContact O-CB 3.2Å; L150-L154 PolarHBondContact O-N 3.43Å; L151-L154 WeakPolarHBondContact O-CB 3.31Å; L151-L154 PolarHBondContact O-N 3.47Å; V152-L154 PolarHBondContact O-N 3.48Å; L154-V157 PolarHBondContact O-N 3.39Å; L154-E158 PolarHBondContact O-N 2.96Å; L154-L187 HydrophobicContact CB-CD1 3.98Å; L154-L187 HydrophobicContact CB-CD2 4.44Å; L154-L187 HydrophobicContact CD1-CD1 4.16Å; L154-L187 HydrophobicContact CD1-CD2 4.32Å; L154-L187 HydrophobicContact CG-CD2 4.4Å; L154-V252 HydrophobicContact CD1-CG1 4.46Å; L154-V252 WeakPolarHBondContact CD1-O 2.9Å; L154-V252 HydrophobicContact CD2-CG1 3.5Å; L154-V252 HydrophobicContact CG-CG1 3.81Å; L154-I255 HydrophobicContact CD1-CB 3.65Å; L154-I255 HydrophobicContact CD1-CG2 3.34Å
155K92Very high92.3Very high59 Ų5933.8 Ų33.826%0.25716%0.163SC..Hα-helixtrans-64-41.2175.5-173.269.1-152.9154.40112.2L151 V152 V157 E158 D159L151-K155 PolarHBondContact O-N 3.25Å; V152-K155 PolarHBondContact O-N 2.96Å; K155-V157 VanDerWaalsContact C-N 3.34Å; K155-V157 PolarHBondContact O-N 3.46Å; K155-E158 WeakPolarHBondContact CD-OE2 3.4Å; K155-E158 IonicContact NZ-OE2 2.72Å; K155-E158 PolarHBondContact NZ-OE2 3.22Å; K155-E158 WeakPolarHBondContact O-CB 3.4Å; K155-E158 PolarHBondContact O-N 2.89Å; K155-D159 WeakPolarHBondContact CE-OD1 3.12Å; K155-D159 IonicContact NZ-OD1 3.42Å; K155-D159 PolarHBondContact NZ-OD1 3.12Å; K155-D159 PolarHBondContact O-N 3.04Å
156L93.9Very high92.9Very high65 Ų6538 Ų3834%0.3419%0.186SC..Hα-helixtrans-59.8-44.3175.4176.760.8000111.9V152 Q153 N160 E183V152-L156 PolarHBondContact O-N 3.42Å; Q153-L156 PolarHBondContact O-N 3.17Å; L156-N160 WeakPolarHBondContact O-CB 3.44Å; L156-N160 VanDerWaalsContact O-CG 3.27Å; L156-N160 PolarHBondContact O-N 3.17Å; L156-N160 PolarHBondContact O-ND2 3.44Å; L156-E183 HydrophobicContact CD2-CG 4.06Å; L156-E183 VanDerWaalsContact CD2-OE2 3.28Å; L156-E183 WeakPolarHBondContact CD2-OE2 3.24Å; L156-E183 HydrophobicContact CG-CG 4.44Å
157V96.2Very high93.3Very high0 Ų035.5 Ų35.50%017%0.173CC..Hα-helixtrans-63-45.2175168.50000110.7Q153 L154 K155 D159 N160 L161 L180 E183 V184 L187 L214Q153-V157 WeakPolarHBondContact O-CG2 3.32Å; Q153-V157 PolarHBondContact O-N 3Å; L154-V157 PolarHBondContact O-N 3.39Å; K155-V157 VanDerWaalsContact C-N 3.34Å; K155-V157 PolarHBondContact O-N 3.46Å; V157-D159 PolarHBondContact O-N 2.7Å; V157-N160 PolarHBondContact O-N 3.07Å; V157-L161 HydrophobicContact CG1-CD1 3.9Å; V157-L161 HydrophobicContact CG1-CG 4.2Å; V157-L161 WeakPolarHBondContact O-CG 3.44Å; V157-L161 PolarHBondContact O-N 3.04Å; V157-L180 HydrophobicContact CG1-CD1 4.29Å; V157-E183 HydrophobicContact CG2-CB 4.02Å; V157-E183 WeakPolarHBondContact CG2-O 3.36Å; V157-V184 HydrophobicContact CG1-CG2 3.89Å; V157-V184 HydrophobicContact CG2-CG2 4.26Å; V157-L187 HydrophobicContact CB-CD2 3.89Å; V157-L187 HydrophobicContact CG1-CD2 4.01Å; V157-L187 HydrophobicContact CG2-CB 4.05Å; V157-L187 HydrophobicContact CG2-CD2 3.81Å; V157-L214 HydrophobicContact CG1-CD1 4.38Å
158E94.8Very high93.5Very high49 Ų4937.8 Ų37.823%0.22920%0.197CC..Hα-helixtrans-56-47.8177.6-167.1-174.6-168.500112.6L154 K155 L161 L162 V252L154-E158 PolarHBondContact O-N 2.96Å; K155-E158 WeakPolarHBondContact CD-OE2 3.4Å; K155-E158 IonicContact NZ-OE2 2.72Å; K155-E158 PolarHBondContact NZ-OE2 3.22Å; K155-E158 WeakPolarHBondContact O-CB 3.4Å; K155-E158 PolarHBondContact O-N 2.89Å; E158-L161 PolarHBondContact O-N 3.46Å; E158-L162 PolarHBondContact O-N 3.17Å; E158-V252 HydrophobicContact CB-CG1 4.1Å; E158-V252 HydrophobicContact CG-CG1 4.21Å
159D94.1Very high93.9Very high68 Ų6841.1 Ų41.136%0.36422%0.218SC..Hα-helixtrans-67.6-37.4-179.9-66.5-19.4000111.4K155 V157 L162 K163K155-D159 WeakPolarHBondContact CE-OD1 3.12Å; K155-D159 IonicContact NZ-OD1 3.42Å; K155-D159 PolarHBondContact NZ-OD1 3.12Å; K155-D159 PolarHBondContact O-N 3.04Å; V157-D159 PolarHBondContact O-N 2.7Å; D159-L162 WeakPolarHBondContact O-CB 3.47Å; D159-L162 PolarHBondContact O-N 2.93Å; D159-K163 WeakPolarHBondContact O-CG 3.38Å; D159-K163 PolarHBondContact O-N 3.23Å; D159-K163 VanDerWaalsContact O-N 3.15Å
160N94.9Very high94.1Very high12 Ų1242 Ų426%0.06422%0.224CC..Hα-helixtrans-71.5-33.5176.9-72.7-15.5000112.6L156 V157 L162 K163 V164 L180L156-N160 WeakPolarHBondContact O-CB 3.44Å; L156-N160 VanDerWaalsContact O-CG 3.27Å; L156-N160 PolarHBondContact O-N 3.17Å; L156-N160 PolarHBondContact O-ND2 3.44Å; V157-N160 PolarHBondContact O-N 3.07Å; N160-L162 VanDerWaalsContact C-N 3.28Å; N160-L162 PolarHBondContact O-N 2.86Å; N160-K163 WeakPolarHBondContact O-CB 3.5Å; N160-K163 PolarHBondContact O-N 3.21Å; N160-K163 PolarHBondContact OD1-NZ 2.91Å; N160-V164 WeakPolarHBondContact O-CG2 3.5Å; N160-V164 PolarHBondContact O-N 3.34Å; N160-L180 HydrophobicContact CB-CB 4.41Å; N160-L180 HydrophobicContact CB-CD1 3.6Å
161L96.1Very high94.2Very high2 Ų249.3 Ų49.31%0.0126%0.258CS..Hα-helixtrans-60.4-40.4171.3-71.7168.6000111.3V157 E158 K163 V164 R165 L180 L214 V218 L221 Y245 L248 V252V157-L161 HydrophobicContact CG1-CD1 3.9Å; V157-L161 HydrophobicContact CG1-CG 4.2Å; V157-L161 WeakPolarHBondContact O-CG 3.44Å; V157-L161 PolarHBondContact O-N 3.04Å; E158-L161 PolarHBondContact O-N 3.46Å; L161-K163 VanDerWaalsContact C-N 3.34Å; L161-V164 PolarHBondContact O-N 3.36Å; L161-R165 PolarHBondContact O-N 3.44Å; L161-L180 HydrophobicContact CD2-CD1 4.32Å; L161-L180 HydrophobicContact CD2-CD2 3.68Å; L161-L180 HydrophobicContact CG-CD1 4.27Å; L161-L180 HydrophobicContact CG-CD2 4.4Å; L161-L214 HydrophobicContact CD1-CD1 4.31Å; L161-V218 HydrophobicContact CD2-CG2 3.91Å; L161-L221 HydrophobicContact CD2-CD2 4.1Å; L161-Y245 HydrophobicContact CB-CE2 4.01Å; L161-L248 HydrophobicContact CD1-CB 4.21Å; L161-L248 HydrophobicContact CD2-CD1 4.13Å; L161-L248 HydrophobicContact CD2-CD2 4.5Å; L161-V252 HydrophobicContact CD1-CG2 4.02Å
162L95.4Very high94.4Very high67 Ų6752.8 Ų52.835%0.35127%0.274SS..Hα-helixtrans-64.4-39.2175.6-177.559.7000111.6E158 D159 N160 R165 N166 Y245E158-L162 PolarHBondContact O-N 3.17Å; D159-L162 WeakPolarHBondContact O-CB 3.47Å; D159-L162 PolarHBondContact O-N 2.93Å; N160-L162 VanDerWaalsContact C-N 3.28Å; N160-L162 PolarHBondContact O-N 2.86Å; L162-R165 PolarHBondContact O-N 3.27Å; L162-N166 VanDerWaalsContact CD1-ND2 3.34Å; L162-N166 WeakPolarHBondContact CD1-ND2 3.46Å; L162-N166 WeakPolarHBondContact O-CB 3.41Å; L162-N166 VanDerWaalsContact O-CG 3.23Å; L162-N166 PolarHBondContact O-N 2.9Å; L162-N166 PolarHBondContact O-ND2 3.43Å; L162-Y245 HydrophobicContact CB-CE2 4.43Å; L162-Y245 WeakPolarHBondContact CB-OH 3.36Å; L162-Y245 HydrophobicContact CD1-CE1 4.41Å; L162-Y245 WeakPolarHBondContact CD1-OH 3.32Å
163K95.4Very high94.7Very high101 Ų10150.4 Ų50.444%0.43926%0.259SS..Hα-helixtrans-63.6-43.2174.4-66.5173.7-166.9160.30112.3D159 N160 L161 R165 N166 A167 Q176D159-K163 WeakPolarHBondContact O-CG 3.38Å; D159-K163 PolarHBondContact O-N 3.23Å; D159-K163 VanDerWaalsContact O-N 3.15Å; N160-K163 WeakPolarHBondContact O-CB 3.5Å; N160-K163 PolarHBondContact O-N 3.21Å; N160-K163 PolarHBondContact OD1-NZ 2.91Å; L161-K163 VanDerWaalsContact C-N 3.34Å; K163-R165 VanDerWaalsContact C-N 3.34Å; K163-R165 PolarHBondContact O-N 2.94Å; K163-N166 PolarHBondContact O-N 3.47Å; K163-A167 PolarHBondContact O-N 2.69Å; K163-Q176 HydrophobicContact CB-CG 4.17Å
164V95.8Very high94.7Very high1 Ų151.1 Ų51.11%0.00627%0.269CS..Hα-helixtrans-59.2-46.1175169.30000110.7N160 L161 N166 L173 Q176 L180 L221N160-V164 WeakPolarHBondContact O-CG2 3.5Å; N160-V164 PolarHBondContact O-N 3.34Å; L161-V164 PolarHBondContact O-N 3.36Å; V164-N166 VanDerWaalsContact C-N 3.33Å; V164-N166 PolarHBondContact O-N 3.1Å; V164-L173 HydrophobicContact CB-CD1 4.49Å; V164-L173 HydrophobicContact CG1-CD1 3.69Å; V164-L173 WeakPolarHBondContact O-CD1 3.3Å; V164-Q176 HydrophobicContact CG2-CB 3.79Å; V164-L180 HydrophobicContact CG2-CB 4.35Å; V164-L180 HydrophobicContact CG2-CD2 3.77Å; V164-L221 HydrophobicContact CB-CD2 4.39Å; V164-L221 HydrophobicContact CG1-CD2 3.92Å; V164-L221 HydrophobicContact CG1-CG 4.07Å
165R95.1Very high94.8Very high64 Ų6455.4 Ų55.424%0.24229%0.291CS..Hα-helixtrans-60.3-41.9177176.3-174.6176.1-104.15.2112.9L161 L162 K163 R241 D242 Y245L161-R165 PolarHBondContact O-N 3.44Å; L162-R165 PolarHBondContact O-N 3.27Å; K163-R165 VanDerWaalsContact C-N 3.34Å; K163-R165 PolarHBondContact O-N 2.94Å; R165-R241 PolarHBondContact O-NH1 3.3Å; R165-D242 IonicContact CZ-OD1 3.36Å; R165-D242 VanDerWaalsContact CZ-OD1 3.28Å; R165-D242 IonicContact NE-OD1 2.68Å; R165-D242 PolarHBondContact NE-OD1 2.91Å; R165-D242 IonicContact NH2-OD1 3.28Å; R165-D242 PolarHBondContact NH2-OD1 3.06Å; R165-D242 IonicContact NH2-OD2 4Å; R165-Y245 HydrophobicContact CB-CD2 4.11Å; R165-Y245 HydrophobicContact CB-CE2 4.43Å; R165-Y245 HydrophobicContact CB-CG 4.46Å; R165-Y245 VanDerWaalsContact CD-CD1 3.48Å; R165-Y245 HydrophobicContact CG-CG 4.42Å
166N95.3Very high95Very high89 Ų8954.5 Ų54.548%0.47629%0.288SS..Hα-helixtrans-91.20.4-171.8-65.6-14000113.7L162 K163 V164 G168L162-N166 VanDerWaalsContact CD1-ND2 3.34Å; L162-N166 WeakPolarHBondContact CD1-ND2 3.46Å; L162-N166 WeakPolarHBondContact O-CB 3.41Å; L162-N166 VanDerWaalsContact O-CG 3.23Å; L162-N166 PolarHBondContact O-N 2.9Å; L162-N166 PolarHBondContact O-ND2 3.43Å; K163-N166 PolarHBondContact O-N 3.47Å; V164-N166 VanDerWaalsContact C-N 3.33Å; V164-N166 PolarHBondContact O-N 3.1Å; N166-G168 PolarHBondContact O-N 2.69Å
167A95.6Very high95.1Very high5 Ų553.7 Ų53.74%0.04128%0.281CS..  trans-55132.4177.500000110.4K163 E172 L173K163-A167 PolarHBondContact O-N 2.69Å; A167-E172 HydrophobicContact CB-CB 4.42Å; A167-E172 HydrophobicContact CB-CG 4.12Å; A167-L173 HydrophobicContact CB-CB 3.81Å; A167-L173 HydrophobicContact CB-CD1 4.12Å
168G93Very high95Very high50 Ų5061.9 Ų61.952%0.51532%0.316SS..  trans-95.2-12.3-174.800000114.2N166 E172 L229N166-G168 PolarHBondContact O-N 2.69Å; G168-E172 PolarHBondContact N-OE2 2.98Å; G168-L229 WeakPolarHBondContact O-CD2 3.39Å
169T94.6Very high95Very high76 Ų7661.8 Ų61.847%0.46632%0.324SS..SBendtrans-140.5156.6179.765.60000110.9Q171 E172 L173T169-Q171 VanDerWaalsContact C-N 3.27Å; T169-Q171 PolarHBondContact O-N 3.13Å; T169-E172 PolarHBondContact O-N 3.01Å; T169-E172 VanDerWaalsContact OG1-CB 3.28Å; T169-E172 WeakPolarHBondContact OG1-CB 3.21Å; T169-E172 PolarHBondContact OG1-N 3.32Å; T169-E172 VanDerWaalsContact OG1-N 3.17Å; T169-L173 WeakPolarHBondContact O-CB 3.5Å; T169-L173 PolarHBondContact O-N 2.69Å
170E92.6Very high95.1Very high93 Ų9358.6 Ų58.644%0.43531%0.307SS..Hα-helixtrans-62.3-36178.1-61.8-169.9144.100112.5L173 G174 L229 Q230E170-L173 PolarHBondContact O-N 3.05Å; E170-G174 PolarHBondContact O-N 2.87Å; E170-L229 HydrophobicContact CG-CB 4.43Å; E170-Q230 WeakPolarHBondContact OE1-CG 3.43Å; E170-Q230 PolarHBondContact OE1-NE2 3.42Å
171Q93.6Very high95.1Very high157 Ų15761.8 Ų61.873%0.73432%0.32SS*.Hα-helixtrans-63.5-47.6176.4-174-179.46.500110.9T169 L173 G174 I175T169-Q171 VanDerWaalsContact C-N 3.27Å; T169-Q171 PolarHBondContact O-N 3.13Å; Q171-L173 VanDerWaalsContact C-N 3.35Å; Q171-G174 PolarHBondContact O-N 3.06Å; Q171-I175 HydrophobicContact CG-CD1 4.19Å; Q171-I175 VanDerWaalsContact O-CG1 3.28Å; Q171-I175 WeakPolarHBondContact O-CG1 3.49Å; Q171-I175 PolarHBondContact O-N 3.43Å
172E95.9Very high95.1Very high80 Ų8065 Ų6537%0.37434%0.341SS..Hα-helixtrans-61.1-45.3175.4-176.8179.3-159.100111A167 G168 T169 G174 I175 Q176A167-E172 HydrophobicContact CB-CB 4.42Å; A167-E172 HydrophobicContact CB-CG 4.12Å; G168-E172 PolarHBondContact N-OE2 2.98Å; T169-E172 PolarHBondContact O-N 3.01Å; T169-E172 VanDerWaalsContact OG1-CB 3.28Å; T169-E172 WeakPolarHBondContact OG1-CB 3.21Å; T169-E172 PolarHBondContact OG1-N 3.32Å; T169-E172 VanDerWaalsContact OG1-N 3.17Å; E172-G174 VanDerWaalsContact C-N 3.34Å; E172-G174 PolarHBondContact O-N 3.27Å; E172-I175 PolarHBondContact O-N 3.15Å; E172-I175 VanDerWaalsContact O-N 3.14Å; E172-Q176 HydrophobicContact CG-CG 4.27Å; E172-Q176 WeakPolarHBondContact O-CG 3.29Å; E172-Q176 PolarHBondContact O-N 3.39Å
173L95.6Very high95.1Very high0 Ų064.2 Ų64.20%034%0.336CS..Hα-helixtrans-58.4-45.1178.3178.359.7000111.8V164 A167 T169 E170 Q171 I175 Q176 Y177 Y222 C226 L229V164-L173 HydrophobicContact CB-CD1 4.49Å; V164-L173 HydrophobicContact CG1-CD1 3.69Å; V164-L173 WeakPolarHBondContact O-CD1 3.3Å; A167-L173 HydrophobicContact CB-CB 3.81Å; A167-L173 HydrophobicContact CB-CD1 4.12Å; T169-L173 WeakPolarHBondContact O-CB 3.5Å; T169-L173 PolarHBondContact O-N 2.69Å; E170-L173 PolarHBondContact O-N 3.05Å; Q171-L173 VanDerWaalsContact C-N 3.35Å; L173-I175 PolarHBondContact O-N 3.48Å; L173-Q176 PolarHBondContact O-N 3.12Å; L173-Y177 VanDerWaalsContact O-CB 3.32Å; L173-Y177 WeakPolarHBondContact O-CB 3.15Å; L173-Y177 PolarHBondContact O-N 3.32Å; L173-Y222 HydrophobicContact CD1-CD2 4.1Å; L173-Y222 HydrophobicContact CD2-CD2 4.26Å; L173-Y222 HydrophobicContact CD2-CE2 4.25Å; L173-Y222 HydrophobicContact CG-CD2 3.84Å; L173-Y222 HydrophobicContact CG-CE2 3.82Å; L173-C226 HydrophobicContact CD2-CB 4.2Å; L173-C226 WeakPolarHBondContact CD2-SG 3.45Å; L173-L229 HydrophobicContact CB-CD1 4.13Å; L173-L229 HydrophobicContact CD2-CD1 3.83Å
174G94.3Very high95.2Very high25 Ų2559.5 Ų59.526%0.25832%0.315SS..Hα-helixtrans-61.1-41.1175.100000112.9E170 Q171 E172 K178E170-G174 PolarHBondContact O-N 2.87Å; Q171-G174 PolarHBondContact O-N 3.06Å; E172-G174 VanDerWaalsContact C-N 3.34Å; E172-G174 PolarHBondContact O-N 3.27Å; G174-K178 VanDerWaalsContact O-CB 3.27Å; G174-K178 WeakPolarHBondContact O-CB 3.38Å; G174-K178 PolarHBondContact O-N 3.11Å
175I96.2Very high95.1Very high101 Ų10162.5 Ų62.552%0.51833%0.331SS..Hα-helixtrans-64.2-49175.9-67.9164.2000110.7Q171 E172 L173 Y177 K178 A179Q171-I175 HydrophobicContact CG-CD1 4.19Å; Q171-I175 VanDerWaalsContact O-CG1 3.28Å; Q171-I175 WeakPolarHBondContact O-CG1 3.49Å; Q171-I175 PolarHBondContact O-N 3.43Å; E172-I175 PolarHBondContact O-N 3.15Å; E172-I175 VanDerWaalsContact O-N 3.14Å; L173-I175 PolarHBondContact O-N 3.48Å; I175-Y177 PolarHBondContact O-N 3.13Å; I175-K178 PolarHBondContact O-N 3.4Å; I175-A179 PolarHBondContact O-N 3.32Å
176Q96.8Very high95.1Very high40 Ų4064.3 Ų64.319%0.18734%0.341CS..Hα-helixtrans-64.4-41.1-179.3-63.4-53.1-37.300111.7K163 V164 E172 L173 A179 L180K163-Q176 HydrophobicContact CB-CG 4.17Å; V164-Q176 HydrophobicContact CG2-CB 3.79Å; E172-Q176 HydrophobicContact CG-CG 4.27Å; E172-Q176 WeakPolarHBondContact O-CG 3.29Å; E172-Q176 PolarHBondContact O-N 3.39Å; L173-Q176 PolarHBondContact O-N 3.12Å; Q176-A179 PolarHBondContact O-N 2.82Å; Q176-L180 VanDerWaalsContact O-CB 3.29Å; Q176-L180 WeakPolarHBondContact O-CB 3.34Å; Q176-L180 PolarHBondContact O-N 3.11Å
177Y95.6Very high95.1Very high48 Ų4860.1 Ų60.119%0.18832%0.318CS..Hα-helixtrans-65.4-43.4177.7-177.4-105.3000112.2L173 I175 A179 L180 K181 V218 Y222L173-Y177 VanDerWaalsContact O-CB 3.32Å; L173-Y177 WeakPolarHBondContact O-CB 3.15Å; L173-Y177 PolarHBondContact O-N 3.32Å; I175-Y177 PolarHBondContact O-N 3.13Å; Y177-A179 VanDerWaalsContact C-N 3.25Å; Y177-A179 PolarHBondContact O-N 3.18Å; Y177-L180 PolarHBondContact O-N 3.17Å; Y177-L180 VanDerWaalsContact O-N 3.15Å; Y177-K181 PolarHBondContact O-N 3.09Å; Y177-V218 HydrophobicContact CE2-CG1 3.81Å; Y177-Y222 HydrophobicContact CD1-CD2 4.04Å; Y177-Y222 HydrophobicContact CD1-CE2 4.31Å; Y177-Y222 HydrophobicContact CD1-CG 4.2Å; Y177-Y222 AromaticContact CD2-CD2 3.93Å; Y177-Y222 HydrophobicContact CD2-CD2 3.93Å; Y177-Y222 AromaticContact CD2-CG 3.93Å; Y177-Y222 HydrophobicContact CD2-CG 3.93Å; Y177-Y222 HydrophobicContact CE1-CG 4.47Å; Y177-Y222 HydrophobicContact CE2-CG 4.2Å; Y177-Y222 AromaticContact CG-CD2 3.58Å; Y177-Y222 HydrophobicContact CG-CD2 3.58Å; Y177-Y222 HydrophobicContact CG-CE2 4.16Å; Y177-Y222 AromaticContact CG-CG 3.92Å; Y177-Y222 HydrophobicContact CG-CG 3.92Å
178K95.4Very high95Very high172 Ų17261 Ų6175%0.74832%0.323SS*.Hα-helixtrans-62.8-33.1176.6-171.1171.7-178.21750112.3G174 I175 P182G174-K178 VanDerWaalsContact O-CB 3.27Å; G174-K178 WeakPolarHBondContact O-CB 3.38Å; G174-K178 PolarHBondContact O-N 3.11Å; I175-K178 PolarHBondContact O-N 3.4Å; K178-P182 VanDerWaalsContact O-CD 3.26Å; K178-P182 WeakPolarHBondContact O-CD 3.34Å
179A94.6Very high95Very high47 Ų4764.8 Ų64.839%0.38833%0.328SS..Hα-helixtrans-76-35.8172.800000112.9I175 Q176 Y177 P182I175-A179 PolarHBondContact O-N 3.32Å; Q176-A179 PolarHBondContact O-N 2.82Å; Y177-A179 VanDerWaalsContact C-N 3.25Å; Y177-A179 PolarHBondContact O-N 3.18Å; A179-P182 WeakPolarHBondContact O-CD 3.43Å; A179-P182 WeakPolarHBondContact O-CG 3.48Å
180L95.9Very high95Very high1 Ų163 Ų631%0.00532%0.315CS..Hα-helixtrans-70-42.5-179.2172.867.5000112.6V157 N160 L161 V164 Q176 Y177 E183 V184 V218V157-L180 HydrophobicContact CG1-CD1 4.29Å; N160-L180 HydrophobicContact CB-CB 4.41Å; N160-L180 HydrophobicContact CB-CD1 3.6Å; L161-L180 HydrophobicContact CD2-CD1 4.32Å; L161-L180 HydrophobicContact CD2-CD2 3.68Å; L161-L180 HydrophobicContact CG-CD1 4.27Å; L161-L180 HydrophobicContact CG-CD2 4.4Å; V164-L180 HydrophobicContact CG2-CB 4.35Å; V164-L180 HydrophobicContact CG2-CD2 3.77Å; Q176-L180 VanDerWaalsContact O-CB 3.29Å; Q176-L180 WeakPolarHBondContact O-CB 3.34Å; Q176-L180 PolarHBondContact O-N 3.11Å; Y177-L180 PolarHBondContact O-N 3.17Å; Y177-L180 VanDerWaalsContact O-N 3.15Å; L180-E183 WeakPolarHBondContact O-CB 3.05Å; L180-E183 PolarHBondContact O-N 2.93Å; L180-V184 HydrophobicContact CD1-CG2 3.61Å; L180-V184 HydrophobicContact CG-CG2 3.79Å; L180-V184 PolarHBondContact O-N 3.35Å; L180-V218 HydrophobicContact CD2-CG1 4.06Å
181K94.1Very high95Very high78 Ų7858.6 Ų58.634%0.33930%0.295SS..Hα-helixtrans-52.2-51.8-172.4-172.864.5174.9750114.4Y177 E183 V184 D185Y177-K181 PolarHBondContact O-N 3.09Å; K181-E183 VanDerWaalsContact C-N 3.27Å; K181-E183 PolarHBondContact O-N 3.39Å; K181-V184 PolarHBondContact O-N 3.45Å; K181-D185 IonicContact NZ-OD1 3.63Å; K181-D185 PolarHBondContact NZ-OD1 2.88Å; K181-D185 IonicContact NZ-OD2 2.69Å; K181-D185 PolarHBondContact NZ-OD2 3.46Å; K181-D185 PolarHBondContact O-N 2.82Å
182P96Very high95Very high69 Ų6952.1 Ų52.145%0.44827%0.268SS..Hα-helixtrans-63.8-32.1178.225.2-35.1000112.9K178 A179 D185 K186K178-P182 VanDerWaalsContact O-CD 3.26Å; K178-P182 WeakPolarHBondContact O-CD 3.34Å; A179-P182 WeakPolarHBondContact O-CD 3.43Å; A179-P182 WeakPolarHBondContact O-CG 3.48Å; P182-D185 PolarHBondContact O-N 3.21Å; P182-K186 WeakPolarHBondContact O-CB 3.48Å; P182-K186 PolarHBondContact O-N 3.34Å
183E96.5Very high94.6Very high51 Ų5153.2 Ų53.224%0.23827%0.272CS..Hα-helixtrans-70.1-35.7177.9-59.2-55.3151.800112.3Q153 L156 V157 L180 K181 L187Q153-E183 PolarHBondContact NE2-O 3.47Å; Q153-E183 PolarHBondContact NE2-OE2 2.97Å; L156-E183 HydrophobicContact CD2-CG 4.06Å; L156-E183 VanDerWaalsContact CD2-OE2 3.28Å; L156-E183 WeakPolarHBondContact CD2-OE2 3.24Å; L156-E183 HydrophobicContact CG-CG 4.44Å; V157-E183 HydrophobicContact CG2-CB 4.02Å; V157-E183 WeakPolarHBondContact CG2-O 3.36Å; L180-E183 WeakPolarHBondContact O-CB 3.05Å; L180-E183 PolarHBondContact O-N 2.93Å; K181-E183 VanDerWaalsContact C-N 3.27Å; K181-E183 PolarHBondContact O-N 3.39Å; E183-L187 WeakPolarHBondContact O-CB 3.49Å; E183-L187 PolarHBondContact O-N 2.88Å
184V95.8Very high94.3Very high3 Ų353.7 Ų53.72%0.01827%0.273CS..Hα-helixtrans-67.2-42.6172.6172.80000110.8V157 L180 K181 L187 N188 L214 V218V157-V184 HydrophobicContact CG1-CG2 3.89Å; V157-V184 HydrophobicContact CG2-CG2 4.26Å; L180-V184 HydrophobicContact CD1-CG2 3.61Å; L180-V184 HydrophobicContact CG-CG2 3.79Å; L180-V184 PolarHBondContact O-N 3.35Å; K181-V184 PolarHBondContact O-N 3.45Å; V184-L187 PolarHBondContact O-N 3.08Å; V184-N188 WeakPolarHBondContact O-CB 3.23Å; V184-N188 PolarHBondContact O-N 3.46Å; V184-L214 HydrophobicContact CG1-CD2 4.36Å; V184-L214 HydrophobicContact CG1-CG 4.34Å; V184-V218 HydrophobicContact CG1-CG2 4.37Å; V184-V218 HydrophobicContact CG2-CG2 4.12Å
185D94.1Very high94.1Very high64 Ų6453.9 Ų53.934%0.34227%0.267SS..Hα-helixtrans-64.8-41.6178.8-67.1-28.9000111.4K181 P182 N188 M189K181-D185 IonicContact NZ-OD1 3.63Å; K181-D185 PolarHBondContact NZ-OD1 2.88Å; K181-D185 IonicContact NZ-OD2 2.69Å; K181-D185 PolarHBondContact NZ-OD2 3.46Å; K181-D185 PolarHBondContact O-N 2.82Å; P182-D185 PolarHBondContact O-N 3.21Å; D185-N188 PolarHBondContact O-N 2.86Å; D185-M189 PolarHBondContact O-N 3.3Å
186K95.1Very high93.6Very high102 Ų10256 Ų5644%0.44328%0.275SS..Hα-helixtrans-62.3-45.7173.4-175.3178.4171.3-152.40111.9Q153 P182 N188 M189 M190Q153-K186 HydrophobicContact CG-CG 4.41Å; Q153-K186 VanDerWaalsContact OE1-CE 3.26Å; P182-K186 WeakPolarHBondContact O-CB 3.48Å; P182-K186 PolarHBondContact O-N 3.34Å; K186-N188 VanDerWaalsContact C-N 3.32Å; K186-N188 PolarHBondContact O-N 2.87Å; K186-M189 PolarHBondContact O-N 3.01Å; K186-M190 HydrophobicContact CG-SD 4.27Å; K186-M190 WeakPolarHBondContact O-CG 3.42Å; K186-M190 PolarHBondContact O-N 3.08Å; K186-M190 VanDerWaalsContact O-N 3.12Å
187L95.8Very high93Very high0 Ų055.6 Ų55.60%027%0.273CS..Hα-helixtrans-58.6-45.5174.9178.357.7000111.2L150 Q153 L154 V157 E183 V184 M189 M190 A191 L214L150-L187 HydrophobicContact CD1-CD1 3.52Å; Q153-L187 HydrophobicContact CB-CD1 4.35Å; Q153-L187 HydrophobicContact CG-CB 3.9Å; Q153-L187 HydrophobicContact CG-CD1 4.17Å; L154-L187 HydrophobicContact CB-CD1 3.98Å; L154-L187 HydrophobicContact CB-CD2 4.44Å; L154-L187 HydrophobicContact CD1-CD1 4.16Å; L154-L187 HydrophobicContact CD1-CD2 4.32Å; L154-L187 HydrophobicContact CG-CD2 4.4Å; V157-L187 HydrophobicContact CB-CD2 3.89Å; V157-L187 HydrophobicContact CG1-CD2 4.01Å; V157-L187 HydrophobicContact CG2-CB 4.05Å; V157-L187 HydrophobicContact CG2-CD2 3.81Å; E183-L187 WeakPolarHBondContact O-CB 3.49Å; E183-L187 PolarHBondContact O-N 2.88Å; V184-L187 PolarHBondContact O-N 3.08Å; L187-M189 VanDerWaalsContact C-N 3.34Å; L187-M189 PolarHBondContact O-N 3.08Å; L187-M190 PolarHBondContact O-N 2.87Å; L187-A191 VanDerWaalsContact O-CB 3.31Å; L187-A191 WeakPolarHBondContact O-CB 3.43Å; L187-A191 PolarHBondContact O-N 2.86Å; L187-L214 HydrophobicContact CD2-CD2 3.74Å; L187-L214 HydrophobicContact CG-CD2 4.42Å
188N93.3Very high92.5Very high24 Ų2453.6 Ų53.613%0.12827%0.266CS..Hα-helixtrans-61.5-42.1-179.3-17752000112.1V184 D185 K186 A191 A192 R211 Q215V184-N188 WeakPolarHBondContact O-CB 3.23Å; V184-N188 PolarHBondContact O-N 3.46Å; D185-N188 PolarHBondContact O-N 2.86Å; K186-N188 VanDerWaalsContact C-N 3.32Å; K186-N188 PolarHBondContact O-N 2.87Å; N188-A191 PolarHBondContact O-N 3.3Å; N188-A192 VanDerWaalsContact O-CB 3.29Å; N188-A192 WeakPolarHBondContact O-CB 3.48Å; N188-A192 PolarHBondContact O-N 3.4Å; N188-R211 PolarHBondContact ND2-NH2 3.23Å; N188-R211 PolarHBondContact O-NE 3.34Å; N188-R211 VanDerWaalsContact OD1-CZ 3.3Å; N188-R211 PolarHBondContact OD1-NE 3.12Å; N188-R211 PolarHBondContact OD1-NH2 3.3Å; N188-Q215 HydrophobicContact CB-CG 4.49Å; N188-Q215 PolarHBondContact ND2-NE2 3.33Å
189M94Very high91.8Very high129 Ų12948.8 Ų48.864%0.63525%0.245SC*.Hα-helixtrans-62.2-45.2176.1-176.8-174.666.300111.8D185 K186 L187 A192 K193D185-M189 PolarHBondContact O-N 3.3Å; K186-M189 PolarHBondContact O-N 3.01Å; L187-M189 VanDerWaalsContact C-N 3.34Å; L187-M189 PolarHBondContact O-N 3.08Å; M189-A192 PolarHBondContact O-N 2.98Å; M189-K193 PolarHBondContact O-N 3.16Å
190M93.5Very high90.9Very high40 Ų4049.4 Ų49.420%0.19724%0.242CC..Hα-helixtrans-65.5-42.7178.6-65.1174.572.700111.7K149 L150 Q153 K186 L187 K193 R194K149-M190 VanDerWaalsContact C-CE 3.49Å; K149-M190 HydrophobicContact CB-CE 3.74Å; L150-M190 HydrophobicContact CB-CE 4.16Å; L150-M190 HydrophobicContact CD1-CB 3.66Å; Q153-M190 HydrophobicContact CB-SD 4.02Å; Q153-M190 HydrophobicContact CG-SD 4.05Å; K186-M190 HydrophobicContact CG-SD 4.27Å; K186-M190 WeakPolarHBondContact O-CG 3.42Å; K186-M190 PolarHBondContact O-N 3.08Å; K186-M190 VanDerWaalsContact O-N 3.12Å; L187-M190 PolarHBondContact O-N 2.87Å; M190-K193 PolarHBondContact O-N 2.91Å; M190-R194 PolarHBondContact O-N 2.85Å
191A93.7Very high90Very high0 Ų052.7 Ų52.70%026%0.262CS..Hα-helixtrans-65-37.5176.300000111.9L150 L187 N188 R194 Q195 M207 R211 I255L150-A191 HydrophobicContact CD1-CB 4.27Å; L187-A191 VanDerWaalsContact O-CB 3.31Å; L187-A191 WeakPolarHBondContact O-CB 3.43Å; L187-A191 PolarHBondContact O-N 2.86Å; N188-A191 PolarHBondContact O-N 3.3Å; A191-R194 PolarHBondContact O-N 3.04Å; A191-Q195 WeakPolarHBondContact O-CB 3.47Å; A191-Q195 PolarHBondContact O-N 3.17Å; A191-M207 HydrophobicContact CB-SD 3.95Å; A191-R211 HydrophobicContact CB-CG 3.79Å; A191-I255 HydrophobicContact CB-CG2 4.12Å
192A91.8Very high89.1Confident21 Ų2153.2 Ų53.217%0.17427%0.265CS..Hα-helixtrans-63.3-45174.800000112.2N188 M189 R194 Q195 Q196 R211N188-A192 VanDerWaalsContact O-CB 3.29Å; N188-A192 WeakPolarHBondContact O-CB 3.48Å; N188-A192 PolarHBondContact O-N 3.4Å; M189-A192 PolarHBondContact O-N 2.98Å; A192-R194 VanDerWaalsContact C-N 3.31Å; A192-R194 PolarHBondContact O-N 3.46Å; A192-Q195 WeakPolarHBondContact O-CB 3.37Å; A192-Q195 PolarHBondContact O-N 2.63Å; A192-Q196 WeakPolarHBondContact O-CG 3.27Å; A192-Q196 PolarHBondContact O-N 3.12Å; A192-R211 VanDerWaalsContact CB-CZ 3.47Å
193K88.8Confident88.4Confident103 Ų10351.9 Ų51.945%0.44825%0.253SS..Hα-helixtrans-58.1-47.9174.6-173.8-170.7174.4-154.90110D146 M189 M190 Q195 Q196 E197D146-K193 IonicContact OD2-NZ 2.84Å; D146-K193 PolarHBondContact OD2-NZ 3.5Å; M189-K193 PolarHBondContact O-N 3.16Å; M190-K193 PolarHBondContact O-N 2.91Å; K193-Q195 PolarHBondContact O-N 3.12Å; K193-Q196 PolarHBondContact O-N 2.87Å; K193-E197 WeakPolarHBondContact CE-OE1 3.49Å; K193-E197 IonicContact NZ-OE1 3.86Å; K193-E197 WeakPolarHBondContact O-CG 3.27Å; K193-E197 PolarHBondContact O-N 3.42Å
194R90.1Very high87.7Confident9 Ų951.8 Ų51.83%0.03425%0.252CS..Hα-helixtrans-61.3-43.6178.5-173.761.5-178.7175.410.5112.3W13 D143 V147 L150 M190 A191 A192 Q196 E197 L198 M207 A259W13-R194 VanDerWaalsContact CZ2-NH2 3.28Å; D143-R194 VanDerWaalsContact CG-NH1 3.28Å; D143-R194 IonicContact OD1-NH1 3.2Å; D143-R194 PolarHBondContact OD1-NH1 3.24Å; D143-R194 IonicContact OD2-CZ 2.83Å; D143-R194 IonicContact OD2-NH1 3.13Å; D143-R194 PolarHBondContact OD2-NH1 3.24Å; D143-R194 IonicContact OD2-NH2 3.44Å; V147-R194 VanDerWaalsContact CG2-CZ 3.47Å; L150-R194 HydrophobicContact CD2-CB 4.13Å; L150-R194 HydrophobicContact CD2-CG 4.22Å; M190-R194 PolarHBondContact O-N 2.85Å; A191-R194 PolarHBondContact O-N 3.04Å; A192-R194 VanDerWaalsContact C-N 3.31Å; A192-R194 PolarHBondContact O-N 3.46Å; R194-Q196 VanDerWaalsContact C-N 3.26Å; R194-Q196 PolarHBondContact O-N 3.41Å; R194-E197 WeakPolarHBondContact O-CB 3.27Å; R194-E197 PolarHBondContact O-N 2.99Å; R194-L198 WeakPolarHBondContact O-CG 3.46Å; R194-L198 PolarHBondContact O-N 3.36Å; R194-M207 HydrophobicContact CG-CE 4.38Å; R194-A259 HydrophobicContact CG-CB 4.46Å; R194-A259 PolarHBondContact NE-O 3.27Å; R194-A259 PolarHBondContact NH2-O 2.86Å
195Q89.2Confident86.9Confident29 Ų2952.5 Ų52.514%0.13626%0.255CS..Hα-helixtrans-53.4-42.8176.4-174.2-176.3-33.700112.2A191 A192 K193 E197 K204 M207A191-Q195 WeakPolarHBondContact O-CB 3.47Å; A191-Q195 PolarHBondContact O-N 3.17Å; A192-Q195 WeakPolarHBondContact O-CB 3.37Å; A192-Q195 PolarHBondContact O-N 2.63Å; K193-Q195 PolarHBondContact O-N 3.12Å; Q195-E197 VanDerWaalsContact C-N 3.26Å; Q195-E197 PolarHBondContact O-N 2.92Å; Q195-K204 HydrophobicContact CG-CB 4.13Å; Q195-K204 WeakPolarHBondContact CG-O 3.1Å; Q195-K204 WeakPolarHBondContact O-CD 3.36Å; Q195-K204 WeakPolarHBondContact O-CE 3.33Å; Q195-K204 WeakPolarHBondContact O-CG 3.18Å; Q195-M207 HydrophobicContact CB-CB 4.31Å; Q195-M207 HydrophobicContact CB-CG 3.73Å; Q195-M207 HydrophobicContact CG-CB 4.18Å; Q195-M207 HydrophobicContact CG-CG 4.11Å
196Q86.1Confident86.4Confident147 Ų14753 Ų5369%0.68726%0.256SS*.Hα-helixtrans-67.8-29.2178.8-66.6176.43.900112.5A192 K193 R194A192-Q196 WeakPolarHBondContact O-CG 3.27Å; A192-Q196 PolarHBondContact O-N 3.12Å; K193-Q196 PolarHBondContact O-N 2.87Å; R194-Q196 VanDerWaalsContact C-N 3.26Å; R194-Q196 PolarHBondContact O-N 3.41Å
197E84.5Confident86Confident31 Ų3148.2 Ų48.215%0.14524%0.235CC..Hα-helixtrans-85.5-23.3-176.4-68.9172171.700114T22 L23 A24 K193 R194 Q195T22-E197 VanDerWaalsContact CA-O 3.29Å; T22-E197 WeakPolarHBondContact CA-O 3.48Å; T22-E197 HydrophobicContact CG2-CB 3.91Å; L23-E197 PolarHBondContact N-O 3.16Å; A24-E197 HydrophobicContact CB-CG 4.37Å; K193-E197 WeakPolarHBondContact CE-OE1 3.49Å; K193-E197 IonicContact NZ-OE1 3.86Å; K193-E197 WeakPolarHBondContact O-CG 3.27Å; K193-E197 PolarHBondContact O-N 3.42Å; R194-E197 WeakPolarHBondContact O-CB 3.27Å; R194-E197 PolarHBondContact O-N 2.99Å; Q195-E197 VanDerWaalsContact C-N 3.26Å; Q195-E197 PolarHBondContact O-N 2.92Å
198L84.1Confident85.6Confident5 Ų548.4 Ų48.43%0.02624%0.236CC..BIsolated β-bridgetrans-57.3146.2175.9-69.7172.8000110.7R194 H203 K204 M207R194-L198 WeakPolarHBondContact O-CG 3.46Å; R194-L198 PolarHBondContact O-N 3.36Å; L198-H203 HydrophobicContact CD1-CB 4Å; L198-K204 HydrophobicContact CB-CG 3.97Å; L198-K204 WeakPolarHBondContact O-CE 3.49Å; L198-K204 PolarHBondContact O-NZ 3.22Å; L198-K204 VanDerWaalsContact O-NZ 3.09Å; L198-M207 HydrophobicContact CD1-CB 4.49Å
199K81.4Confident85.2Confident72 Ų7247.9 Ų47.931%0.31324%0.235SC..SBendtrans-88-45.1178.6-67.1-178.1178.6-174.40112I20 L23 E26 V201I20-K199 WeakPolarHBondContact O-CE 3.48Å; I20-K199 PolarHBondContact O-NZ 3.48Å; L23-K199 HydrophobicContact CD2-CG 4.34Å; L23-K199 HydrophobicContact CG-CG 4.35Å; E26-K199 VanDerWaalsContact CD-CE 3.42Å; E26-K199 VanDerWaalsContact OE1-CE 3.32Å; E26-K199 WeakPolarHBondContact OE1-CE 3.4Å; E26-K199 IonicContact OE1-NZ 3.68Å; E26-K199 PolarHBondContact OE1-NZ 3.34Å; E26-K199 IonicContact OE2-NZ 2.67Å; K199-V201 PolarHBondContact O-N 3.33Å
200D76.3Confident85Confident59 Ų5942.2 Ų42.232%0.31621%0.209SC..  trans-76.9119.9-178.1-177-1.7000111.1H202 H203 K204D200-H202 PolarHBondContact O-N 2.69Å; D200-H202 VanDerWaalsContact OD1-CB 3.26Å; D200-H202 WeakPolarHBondContact OD1-CB 3.33Å; D200-H202 PolarHBondContact OD1-N 2.69Å; D200-H203 HydrophobicContact CB-CB 4.43Å; D200-H203 WeakPolarHBondContact CB-ND1 3.46Å; D200-H203 PolarHBondContact O-N 3.06Å; D200-H203 IonicContact OD2-CE1 3.25Å; D200-H203 PolarHBondContact OD2-CE1 2.89Å; D200-H203 IonicContact OD2-CG 2.94Å; D200-H203 IonicContact OD2-ND1 3.14Å; D200-H203 PolarHBondContact OD2-ND1 3.24Å; D200-K204 WeakPolarHBondContact O-CG 3.31Å; D200-K204 PolarHBondContact O-N 2.89Å
201V75.3Confident85Confident70 Ų7041.3 Ų41.342%0.42420%0.204SC..Hα-helixtrans-57-35.8176.2-177.60000110.4K199 H203 K204 D205K199-V201 PolarHBondContact O-N 3.33Å; V201-H203 PolarHBondContact O-N 3.05Å; V201-K204 WeakPolarHBondContact O-CB 3.39Å; V201-K204 PolarHBondContact O-N 2.96Å; V201-D205 PolarHBondContact O-N 3.39Å; V201-D205 VanDerWaalsContact O-N 3.11Å
202H76Confident84.7Confident89 Ų8941.8 Ų41.841%0.41221%0.209SC..Hα-helixtrans-56.9-50.8179.2-172.878.7000112.3D200 K204 D205 Q206 K448D200-H202 PolarHBondContact O-N 2.69Å; D200-H202 VanDerWaalsContact OD1-CB 3.26Å; D200-H202 WeakPolarHBondContact OD1-CB 3.33Å; D200-H202 PolarHBondContact OD1-N 2.69Å; H202-K204 VanDerWaalsContact C-N 3.31Å; H202-K204 PolarHBondContact O-N 3.19Å; H202-D205 PolarHBondContact O-N 2.87Å; H202-Q206 PolarHBondContact CD2-NE2 3.32Å; H202-Q206 VanDerWaalsContact CD2-NE2 3.28Å; H202-Q206 PolarHBondContact NE2-NE2 2.85Å; H202-Q206 WeakPolarHBondContact O-CG 3.48Å; H202-Q206 PolarHBondContact O-N 3.03Å; H202-Q206 VanDerWaalsContact O-N 3.1Å; H202-K448 PolarHBondContact O-NZ 2.82Å
203H81.1Confident84.6Confident42 Ų4242 Ų4219%0.19421%0.208CC..Hα-helixtrans-68.1-28.2177.8-64.6121.1000112.8L198 D200 V201 M207 A261L198-H203 HydrophobicContact CD1-CB 4Å; D200-H203 HydrophobicContact CB-CB 4.43Å; D200-H203 WeakPolarHBondContact CB-ND1 3.46Å; D200-H203 PolarHBondContact O-N 3.06Å; D200-H203 IonicContact OD2-CE1 3.25Å; D200-H203 PolarHBondContact OD2-CE1 2.89Å; D200-H203 IonicContact OD2-CG 2.94Å; D200-H203 IonicContact OD2-ND1 3.14Å; D200-H203 PolarHBondContact OD2-ND1 3.24Å; V201-H203 PolarHBondContact O-N 3.05Å; H203-M207 VanDerWaalsContact O-CB 3.29Å; H203-M207 WeakPolarHBondContact O-CB 3.48Å; H203-M207 PolarHBondContact O-N 3.5Å; H203-A261 HydrophobicContact CB-CB 4.17Å
204K82.5Confident84.8Confident49 Ų4937 Ų3721%0.21319%0.186CC..Hα-helixtrans-62.3-45173-66.1-169.6180-178.40111.8Q195 L198 D200 V201 H202 M207 A208Q195-K204 HydrophobicContact CG-CB 4.13Å; Q195-K204 WeakPolarHBondContact CG-O 3.1Å; Q195-K204 WeakPolarHBondContact O-CD 3.36Å; Q195-K204 WeakPolarHBondContact O-CE 3.33Å; Q195-K204 WeakPolarHBondContact O-CG 3.18Å; L198-K204 HydrophobicContact CB-CG 3.97Å; L198-K204 WeakPolarHBondContact O-CE 3.49Å; L198-K204 PolarHBondContact O-NZ 3.22Å; L198-K204 VanDerWaalsContact O-NZ 3.09Å; D200-K204 WeakPolarHBondContact O-CG 3.31Å; D200-K204 PolarHBondContact O-N 2.89Å; V201-K204 WeakPolarHBondContact O-CB 3.39Å; V201-K204 PolarHBondContact O-N 2.96Å; H202-K204 VanDerWaalsContact C-N 3.31Å; H202-K204 PolarHBondContact O-N 3.19Å; K204-M207 WeakPolarHBondContact O-CB 3.48Å; K204-M207 PolarHBondContact O-N 3.43Å; K204-A208 PolarHBondContact O-N 3.46Å
205D78.3Confident84.9Confident17 Ų1738.6 Ų38.69%0.09119%0.194CC..Hα-helixtrans-75.4-37.5-177.3-54-35.3000111.4V201 H202 M207 A208 A209 K448V201-D205 PolarHBondContact O-N 3.39Å; V201-D205 VanDerWaalsContact O-N 3.11Å; H202-D205 PolarHBondContact O-N 2.87Å; D205-M207 VanDerWaalsContact C-N 3.26Å; D205-M207 PolarHBondContact O-N 2.99Å; D205-A208 WeakPolarHBondContact O-CB 3.33Å; D205-A208 PolarHBondContact O-N 3.12Å; D205-A208 VanDerWaalsContact O-N 3.16Å; D205-A209 WeakPolarHBondContact O-CB 3.43Å; D205-A209 PolarHBondContact O-N 3.33Å; D205-K448 VanDerWaalsContact CB-NZ 3.34Å; D205-K448 IonicContact OD2-NZ 2.67Å; D205-K448 PolarHBondContact OD2-NZ 3.34Å
206Q82.8Confident84.9Confident76 Ų7638.1 Ų38.136%0.35519%0.191SC..Hα-helixtrans-55.8-44.6170.4-73.4-173.4-5.800111.3H202 A210 A258H202-Q206 PolarHBondContact CD2-NE2 3.32Å; H202-Q206 VanDerWaalsContact CD2-NE2 3.28Å; H202-Q206 PolarHBondContact NE2-NE2 2.85Å; H202-Q206 WeakPolarHBondContact O-CG 3.48Å; H202-Q206 PolarHBondContact O-N 3.03Å; H202-Q206 VanDerWaalsContact O-N 3.1Å; Q206-A210 VanDerWaalsContact O-CB 3.32Å; Q206-A210 WeakPolarHBondContact O-CB 3.34Å; Q206-A210 PolarHBondContact O-N 3.07Å; Q206-A258 HydrophobicContact CB-CB 4.32Å
207M88.6Confident85.2Confident0 Ų031.1 Ų31.10%016%0.158CC..Hα-helixtrans-62.1-46.3175.3-17864.477.300111.4A191 R194 Q195 L198 H203 K204 D205 A209 A210 R211 I255 A258 A259A191-M207 HydrophobicContact CB-SD 3.95Å; R194-M207 HydrophobicContact CG-CE 4.38Å; Q195-M207 HydrophobicContact CB-CB 4.31Å; Q195-M207 HydrophobicContact CB-CG 3.73Å; Q195-M207 HydrophobicContact CG-CB 4.18Å; Q195-M207 HydrophobicContact CG-CG 4.11Å; L198-M207 HydrophobicContact CD1-CB 4.49Å; H203-M207 VanDerWaalsContact O-CB 3.29Å; H203-M207 WeakPolarHBondContact O-CB 3.48Å; H203-M207 PolarHBondContact O-N 3.5Å; K204-M207 WeakPolarHBondContact O-CB 3.48Å; K204-M207 PolarHBondContact O-N 3.43Å; D205-M207 VanDerWaalsContact C-N 3.26Å; D205-M207 PolarHBondContact O-N 2.99Å; M207-A209 PolarHBondContact O-N 2.93Å; M207-A210 PolarHBondContact O-N 3.41Å; M207-R211 HydrophobicContact CG-CG 4.49Å; M207-R211 WeakPolarHBondContact O-CB 3.18Å; M207-R211 WeakPolarHBondContact O-CD 3.41Å; M207-R211 WeakPolarHBondContact O-CG 3.39Å; M207-R211 PolarHBondContact O-N 3.1Å; M207-R211 HydrophobicContact SD-CG 4.32Å; M207-I255 HydrophobicContact CE-CG2 4.35Å; M207-I255 WeakPolarHBondContact CE-O 3.49Å; M207-I255 HydrophobicContact SD-CB 4.19Å; M207-I255 HydrophobicContact SD-CG1 4.2Å; M207-I255 HydrophobicContact SD-CG2 3.78Å; M207-A258 HydrophobicContact CB-CB 4.01Å; M207-A258 HydrophobicContact CE-CB 3.81Å; M207-A259 HydrophobicContact CE-CB 3.81Å; M207-A259 VanDerWaalsContact CE-N 3.28Å
208A86.6Confident85.7Confident4 Ų429.8 Ų29.83%0.03315%0.152CC..Hα-helixtrans-59.2-46.9178.600000111.9K204 D205 R211 G212 V894K204-A208 PolarHBondContact O-N 3.46Å; D205-A208 WeakPolarHBondContact O-CB 3.33Å; D205-A208 PolarHBondContact O-N 3.12Å; D205-A208 VanDerWaalsContact O-N 3.16Å; A208-R211 PolarHBondContact O-N 3.36Å; A208-G212 PolarHBondContact O-N 2.67Å; A208-V894 HydrophobicContact CB-CG1 4.11Å
209A84.2Confident86.1Confident13 Ų1331.9 Ų31.911%0.10717%0.166CC..Hα-helixtrans-63.1-48.5-179.600000112.2D205 M207 R211 G212 V213 M452D205-A209 WeakPolarHBondContact O-CB 3.43Å; D205-A209 PolarHBondContact O-N 3.33Å; M207-A209 PolarHBondContact O-N 2.93Å; A209-R211 VanDerWaalsContact C-N 3.31Å; A209-R211 PolarHBondContact O-N 3.08Å; A209-G212 PolarHBondContact O-N 3.23Å; A209-V213 WeakPolarHBondContact O-CG2 3.45Å; A209-V213 PolarHBondContact O-N 3.26Å; A209-M452 HydrophobicContact CB-CE 4.35Å; A209-M452 HydrophobicContact CB-CG 4.35Å; A209-M452 HydrophobicContact CB-SD 3.22Å; A209-M452 WeakPolarHBondContact CB-SD 3.23Å
210A90.1Very high86.6Confident11 Ų1128.7 Ų28.79%0.09115%0.152CC..Hα-helixtrans-64-38.2179.600000111.4Q206 M207 L214 I255Q206-A210 VanDerWaalsContact O-CB 3.32Å; Q206-A210 WeakPolarHBondContact O-CB 3.34Å; Q206-A210 PolarHBondContact O-N 3.07Å; M207-A210 PolarHBondContact O-N 3.41Å; A210-L214 WeakPolarHBondContact O-CB 3.27Å; A210-L214 PolarHBondContact O-N 3.36Å; A210-I255 HydrophobicContact CB-CG1 3.68Å
211R93.6Very high87.5Confident20 Ų2025.9 Ų25.98%0.07514%0.137CC..Hα-helixtrans-61.9-46.3171.5-72169.863.1-130.9-16.1112N188 A191 A192 M207 A208 A209 L214 Q215 I255N188-R211 PolarHBondContact ND2-NH2 3.23Å; N188-R211 PolarHBondContact O-NE 3.34Å; N188-R211 VanDerWaalsContact OD1-CZ 3.3Å; N188-R211 PolarHBondContact OD1-NE 3.12Å; N188-R211 PolarHBondContact OD1-NH2 3.3Å; A191-R211 HydrophobicContact CB-CG 3.79Å; A192-R211 VanDerWaalsContact CB-CZ 3.47Å; M207-R211 HydrophobicContact CG-CG 4.49Å; M207-R211 WeakPolarHBondContact O-CB 3.18Å; M207-R211 WeakPolarHBondContact O-CD 3.41Å; M207-R211 WeakPolarHBondContact O-CG 3.39Å; M207-R211 PolarHBondContact O-N 3.1Å; M207-R211 HydrophobicContact SD-CG 4.32Å; A208-R211 PolarHBondContact O-N 3.36Å; A209-R211 VanDerWaalsContact C-N 3.31Å; A209-R211 PolarHBondContact O-N 3.08Å; R211-L214 WeakPolarHBondContact O-CB 3.37Å; R211-L214 PolarHBondContact O-N 3.26Å; R211-Q215 WeakPolarHBondContact O-CG 3.1Å; R211-Q215 PolarHBondContact O-N 2.94Å; R211-I255 HydrophobicContact CG-CD1 4.14Å; R211-I255 HydrophobicContact CG-CG1 4.26Å
212G88.4Confident88.4Confident11 Ų1126 Ų2611%0.11313%0.131CC..Hα-helixtrans-59.1-48.2178.100000112.5A208 A209 L214 Q215 R216 L897A208-G212 PolarHBondContact O-N 2.67Å; A209-G212 PolarHBondContact O-N 3.23Å; G212-L214 VanDerWaalsContact C-N 3.33Å; G212-L214 PolarHBondContact O-N 2.91Å; G212-Q215 PolarHBondContact O-N 3.29Å; G212-R216 VanDerWaalsContact O-CB 3.26Å; G212-R216 WeakPolarHBondContact O-CB 3.46Å; G212-R216 PolarHBondContact O-N 3.04Å; G212-L897 WeakPolarHBondContact CA-O 3.27Å
213V89.1Confident89.1Confident24 Ų2423.3 Ų23.315%0.14512%0.12CC..Hα-helixtrans-59.7-43.8175.8174.80000111.1A209 N217 A251A209-V213 WeakPolarHBondContact O-CG2 3.45Å; A209-V213 PolarHBondContact O-N 3.26Å; V213-N217 VanDerWaalsContact O-CB 3.25Å; V213-N217 WeakPolarHBondContact O-CB 3.45Å; V213-N217 PolarHBondContact O-N 3.24Å; V213-A251 HydrophobicContact CB-CB 4.04Å; V213-A251 HydrophobicContact CG1-CB 3.84Å
214L93.6Very high89.6Confident0 Ų021.3 Ų21.30%011%0.111CC..Hα-helixtrans-59.4-52.1177.7-18070.1000111.7V157 L161 V184 L187 A210 R211 G212 R216 V218 L248 A251 V252 I255V157-L214 HydrophobicContact CG1-CD1 4.38Å; L161-L214 HydrophobicContact CD1-CD1 4.31Å; V184-L214 HydrophobicContact CG1-CD2 4.36Å; V184-L214 HydrophobicContact CG1-CG 4.34Å; L187-L214 HydrophobicContact CD2-CD2 3.74Å; L187-L214 HydrophobicContact CG-CD2 4.42Å; A210-L214 WeakPolarHBondContact O-CB 3.27Å; A210-L214 PolarHBondContact O-N 3.36Å; R211-L214 WeakPolarHBondContact O-CB 3.37Å; R211-L214 PolarHBondContact O-N 3.26Å; G212-L214 VanDerWaalsContact C-N 3.33Å; G212-L214 PolarHBondContact O-N 2.91Å; L214-R216 VanDerWaalsContact C-N 3.32Å; L214-R216 PolarHBondContact O-N 2.91Å; L214-V218 HydrophobicContact CD1-CG2 4.29Å; L214-V218 VanDerWaalsContact O-CG2 3.22Å; L214-V218 WeakPolarHBondContact O-CG2 3.38Å; L214-V218 PolarHBondContact O-N 3.04Å; L214-L248 HydrophobicContact CD1-CD2 3.81Å; L214-A251 HydrophobicContact CB-CB 4.33Å; L214-V252 HydrophobicContact CD1-CG2 4.06Å; L214-I255 HydrophobicContact CB-CD1 4.42Å; L214-I255 HydrophobicContact CD2-CD1 3.82Å
215Q91.4Very high90.2Very high42 Ų4219 Ų1920%0.19610%0.102CC..Hα-helixtrans-63-40.1-177.1-70.8-165.8-65.500112.4N188 R211 G212 P219N188-Q215 HydrophobicContact CB-CG 4.49Å; N188-Q215 PolarHBondContact ND2-NE2 3.33Å; R211-Q215 WeakPolarHBondContact O-CG 3.1Å; R211-Q215 PolarHBondContact O-N 2.94Å; G212-Q215 PolarHBondContact O-N 3.29Å; Q215-P219 WeakPolarHBondContact O-CD 3.39Å
216R89.3Confident90.8Very high18 Ų1818.9 Ų18.97%0.06810%0.102CC..Hα-helixtrans-69.7-45.9-179-178.7-178.775.7176.84.1113.1G212 L214 P219 M220 Q490G212-R216 VanDerWaalsContact O-CB 3.26Å; G212-R216 WeakPolarHBondContact O-CB 3.46Å; G212-R216 PolarHBondContact O-N 3.04Å; L214-R216 VanDerWaalsContact C-N 3.32Å; L214-R216 PolarHBondContact O-N 2.91Å; R216-P219 WeakPolarHBondContact O-CD 3.45Å; R216-M220 HydrophobicContact CG-SD 4.04Å; R216-M220 WeakPolarHBondContact O-CG 3.37Å; R216-Q490 VanDerWaalsContact CD-NE2 3.33Å; R216-Q490 HydrophobicContact CG-CG 4.41Å
217N92.9Very high91Very high0 Ų015.3 Ų15.30%09%0.085CC..Hα-helixtrans-81.3-17.7-170.3-73.114.7000112.8V213 M220 L221 I244 Q247 L248V213-N217 VanDerWaalsContact O-CB 3.25Å; V213-N217 WeakPolarHBondContact O-CB 3.45Å; V213-N217 PolarHBondContact O-N 3.24Å; N217-M220 PolarHBondContact O-N 3.44Å; N217-L221 WeakPolarHBondContact O-CB 3.33Å; N217-L221 PolarHBondContact O-N 2.99Å; N217-I244 HydrophobicContact CB-CG2 3.99Å; N217-I244 WeakPolarHBondContact O-CG2 3.31Å; N217-Q247 WeakPolarHBondContact ND2-CB 3.43Å; N217-Q247 PolarHBondContact ND2-OE1 3.24Å; N217-L248 HydrophobicContact CB-CD1 4.07Å; N217-L248 HydrophobicContact CB-CD2 3.57Å; N217-L248 HydrophobicContact CB-CG 3.67Å
218V94.5Very high91.1Very high3 Ų315.9 Ų15.92%0.0189%0.089CC..Hα-helixtrans-61.6-50.6178.5162.50000112.6L161 Y177 L180 V184 L214 M220 L221 Y222 L248L161-V218 HydrophobicContact CD2-CG2 3.91Å; Y177-V218 HydrophobicContact CE2-CG1 3.81Å; L180-V218 HydrophobicContact CD2-CG1 4.06Å; V184-V218 HydrophobicContact CG1-CG2 4.37Å; V184-V218 HydrophobicContact CG2-CG2 4.12Å; L214-V218 HydrophobicContact CD1-CG2 4.29Å; L214-V218 VanDerWaalsContact O-CG2 3.22Å; L214-V218 WeakPolarHBondContact O-CG2 3.38Å; L214-V218 PolarHBondContact O-N 3.04Å; V218-M220 VanDerWaalsContact C-N 3.32Å; V218-M220 PolarHBondContact O-N 3.36Å; V218-L221 PolarHBondContact O-N 3.27Å; V218-Y222 PolarHBondContact O-N 2.99Å; V218-L248 HydrophobicContact CG2-CD2 3.85Å
219P92.3Very high91.3Very high50 Ų5017.8 Ų17.833%0.32510%0.098SC..Hα-helixtrans-62.3-35.9172.4-24.333.6000113.7Q215 R216 L221 Y222 T223Q215-P219 WeakPolarHBondContact O-CD 3.39Å; R216-P219 WeakPolarHBondContact O-CD 3.45Å; P219-L221 VanDerWaalsContact C-N 3.34Å; P219-Y222 WeakPolarHBondContact O-CB 3.48Å; P219-Y222 PolarHBondContact O-N 2.79Å; P219-T223 PolarHBondContact O-N 3.42Å; P219-T223 VanDerWaalsContact O-N 3.12Å; P219-T223 PolarHBondContact O-OG1 3.27Å
220M92.6Very high91.5Very high4 Ų420.9 Ų20.92%0.0211%0.111CC..Hα-helixtrans-67.1-36.2177.6-611726900111.7R216 N217 V218 Y222 T223 A224 I244 L460 V486 F487 Q490R216-M220 HydrophobicContact CG-SD 4.04Å; R216-M220 WeakPolarHBondContact O-CG 3.37Å; N217-M220 PolarHBondContact O-N 3.44Å; V218-M220 VanDerWaalsContact C-N 3.32Å; V218-M220 PolarHBondContact O-N 3.36Å; M220-Y222 VanDerWaalsContact C-N 3.3Å; M220-Y222 PolarHBondContact O-N 2.85Å; M220-T223 WeakPolarHBondContact CA-OG1 3.5Å; M220-T223 PolarHBondContact O-OG1 3.45Å; M220-T223 VanDerWaalsContact O-OG1 3.06Å; M220-A224 VanDerWaalsContact O-CB 3.23Å; M220-A224 WeakPolarHBondContact O-CB 3.4Å; M220-A224 PolarHBondContact O-N 2.92Å; M220-I244 HydrophobicContact CB-CD1 4.32Å; M220-I244 HydrophobicContact CB-CG2 4.45Å; M220-L460 HydrophobicContact CE-CD1 4.05Å; M220-V486 HydrophobicContact CG-CG1 3.97Å; M220-F487 HydrophobicContact CE-CD1 3.5Å; M220-F487 HydrophobicContact CE-CE1 2.99Å; M220-F487 HydrophobicContact CE-CE2 4.44Å; M220-F487 HydrophobicContact CE-CG 4.4Å; M220-F487 HydrophobicContact CE-CZ 3.52Å; M220-Q490 HydrophobicContact CE-CG 4.26Å; M220-Q490 HydrophobicContact SD-CG 4.11Å
221L95.1Very high91.4Very high0 Ų021.7 Ų21.70%011%0.112CC..Hα-helixtrans-63.3-39.6174.1-179.665.3000111L161 V164 N217 V218 P219 S225 R241 I244 Y245 L248L161-L221 HydrophobicContact CD2-CD2 4.1Å; V164-L221 HydrophobicContact CB-CD2 4.39Å; V164-L221 HydrophobicContact CG1-CD2 3.92Å; V164-L221 HydrophobicContact CG1-CG 4.07Å; N217-L221 WeakPolarHBondContact O-CB 3.33Å; N217-L221 PolarHBondContact O-N 2.99Å; V218-L221 PolarHBondContact O-N 3.27Å; P219-L221 VanDerWaalsContact C-N 3.34Å; L221-S225 WeakPolarHBondContact O-CB 3.31Å; L221-S225 PolarHBondContact O-N 3.13Å; L221-S225 PolarHBondContact O-OG 3.28Å; L221-R241 HydrophobicContact CD1-CG 3.86Å; L221-I244 HydrophobicContact CB-CG2 3.84Å; L221-I244 HydrophobicContact CD1-CB 4.47Å; L221-I244 HydrophobicContact CD1-CG2 4.32Å; L221-Y245 HydrophobicContact CD2-CD2 4.38Å; L221-L248 HydrophobicContact CB-CD1 3.84Å; L221-L248 HydrophobicContact CD2-CD1 3.71Å; L221-L248 HydrophobicContact CG-CD1 4.25Å
222Y93.8Very high91.1Very high73 Ų7325.9 Ų25.929%0.28614%0.142SC..Hα-helixtrans-62.9-53.3177.6173.2-103.5000111.3L173 Y177 V218 P219 M220 A224 S225 C226L173-Y222 HydrophobicContact CD1-CD2 4.1Å; L173-Y222 HydrophobicContact CD2-CD2 4.26Å; L173-Y222 HydrophobicContact CD2-CE2 4.25Å; L173-Y222 HydrophobicContact CG-CD2 3.84Å; L173-Y222 HydrophobicContact CG-CE2 3.82Å; Y177-Y222 HydrophobicContact CD1-CD2 4.04Å; Y177-Y222 HydrophobicContact CD1-CE2 4.31Å; Y177-Y222 HydrophobicContact CD1-CG 4.2Å; Y177-Y222 AromaticContact CD2-CD2 3.93Å; Y177-Y222 HydrophobicContact CD2-CD2 3.93Å; Y177-Y222 AromaticContact CD2-CG 3.93Å; Y177-Y222 HydrophobicContact CD2-CG 3.93Å; Y177-Y222 HydrophobicContact CE1-CG 4.47Å; Y177-Y222 HydrophobicContact CE2-CG 4.2Å; Y177-Y222 AromaticContact CG-CD2 3.58Å; Y177-Y222 HydrophobicContact CG-CD2 3.58Å; Y177-Y222 HydrophobicContact CG-CE2 4.16Å; Y177-Y222 AromaticContact CG-CG 3.92Å; Y177-Y222 HydrophobicContact CG-CG 3.92Å; V218-Y222 PolarHBondContact O-N 2.99Å; P219-Y222 WeakPolarHBondContact O-CB 3.48Å; P219-Y222 PolarHBondContact O-N 2.79Å; M220-Y222 VanDerWaalsContact C-N 3.3Å; M220-Y222 PolarHBondContact O-N 2.85Å; Y222-A224 PolarHBondContact O-N 3.32Å; Y222-S225 PolarHBondContact O-N 2.59Å; Y222-S225 VanDerWaalsContact O-N 3.15Å; Y222-C226 VanDerWaalsContact CZ-SG 3.57Å; Y222-C226 PolarHBondContact O-N 2.9Å; Y222-C226 PolarHBondContact O-SG 3.27Å; Y222-C226 VanDerWaalsContact O-SG 3.34Å
223T91.4Very high91.1Very high32 Ų3230.7 Ų30.720%0.19617%0.165CC..Hα-helixtrans-62.8-43.4-179.550.40000112.2P219 M220 S225 C226 A227P219-T223 PolarHBondContact O-N 3.42Å; P219-T223 VanDerWaalsContact O-N 3.12Å; P219-T223 PolarHBondContact O-OG1 3.27Å; M220-T223 WeakPolarHBondContact CA-OG1 3.5Å; M220-T223 PolarHBondContact O-OG1 3.45Å; M220-T223 VanDerWaalsContact O-OG1 3.06Å; T223-S225 VanDerWaalsContact C-N 3.32Å; T223-S225 PolarHBondContact O-N 3.04Å; T223-C226 WeakPolarHBondContact O-CB 3.46Å; T223-C226 PolarHBondContact O-N 2.58Å; T223-A227 PolarHBondContact O-N 2.76Å
224A91.3Very high91.1Very high0 Ų030.3 Ų30.30%016%0.163CC..Hα-helixtrans-62.8-36.8174.300000112.6M220 Y222 C228 R241 I244M220-A224 VanDerWaalsContact O-CB 3.23Å; M220-A224 WeakPolarHBondContact O-CB 3.4Å; M220-A224 PolarHBondContact O-N 2.92Å; Y222-A224 PolarHBondContact O-N 3.32Å; A224-C228 PolarHBondContact O-N 3.44Å; A224-C228 PolarHBondContact O-SG 3.26Å; A224-R241 HydrophobicContact CB-CB 4.18Å; A224-I244 HydrophobicContact CB-CD1 3.55Å
225S93.8Very high90.9Very high2 Ų234.1 Ų34.11%0.01420%0.195CC..Hα-helixtrans-70.7-38.9176-58.50000112.2L221 Y222 T223 A227 C228 L229 R241L221-S225 WeakPolarHBondContact O-CB 3.31Å; L221-S225 PolarHBondContact O-N 3.13Å; L221-S225 PolarHBondContact O-OG 3.28Å; Y222-S225 PolarHBondContact O-N 2.59Å; Y222-S225 VanDerWaalsContact O-N 3.15Å; T223-S225 VanDerWaalsContact C-N 3.32Å; T223-S225 PolarHBondContact O-N 3.04Å; S225-A227 VanDerWaalsContact C-N 3.34Å; S225-A227 PolarHBondContact O-N 3.23Å; S225-C228 WeakPolarHBondContact O-CB 3.38Å; S225-C228 PolarHBondContact O-N 2.94Å; S225-L229 WeakPolarHBondContact O-CG 3.49Å; S225-L229 PolarHBondContact O-N 3.34Å; S225-L229 VanDerWaalsContact O-N 3.11Å; S225-R241 VanDerWaalsContact OG-CD 3.25Å; S225-R241 WeakPolarHBondContact OG-CD 3.34Å; S225-R241 WeakPolarHBondContact OG-CG 3.44Å
226C90.6Very high90.7Very high14 Ų1433 Ų3310%0.09519%0.192CC..Hα-helixtrans-58.1-48.6172.5-70.10000110.4L173 Y222 T223 C228 L229 Q230 V479L173-C226 HydrophobicContact CD2-CB 4.2Å; L173-C226 WeakPolarHBondContact CD2-SG 3.45Å; Y222-C226 VanDerWaalsContact CZ-SG 3.57Å; Y222-C226 PolarHBondContact O-N 2.9Å; Y222-C226 PolarHBondContact O-SG 3.27Å; Y222-C226 VanDerWaalsContact O-SG 3.34Å; T223-C226 WeakPolarHBondContact O-CB 3.46Å; T223-C226 PolarHBondContact O-N 2.58Å; C226-C228 VanDerWaalsContact C-N 3.33Å; C226-C228 PolarHBondContact O-N 3.18Å; C226-L229 PolarHBondContact O-N 3.43Å; C226-L229 VanDerWaalsContact O-N 3.11Å; C226-Q230 PolarHBondContact O-N 3.02Å; C226-Q230 VanDerWaalsContact O-N 3.07Å; C226-V479 HydrophobicContact CB-CG1 4.25Å
227A87.6Confident90.7Very high0 Ų032.2 Ų32.20%019%0.189CC..Hα-helixtrans-61.1-40179.100000112.6T223 S225 L229 Q230 H231 Y237 V479T223-A227 PolarHBondContact O-N 2.76Å; S225-A227 VanDerWaalsContact C-N 3.34Å; S225-A227 PolarHBondContact O-N 3.23Å; A227-L229 VanDerWaalsContact C-N 3.3Å; A227-L229 PolarHBondContact O-N 3.01Å; A227-Q230 PolarHBondContact O-N 3.38Å; A227-H231 PolarHBondContact O-N 3.45Å; A227-Y237 HydrophobicContact CB-CD1 3.46Å; A227-Y237 VanDerWaalsContact CB-CD1 3.46Å; A227-Y237 HydrophobicContact CB-CD2 4.17Å; A227-Y237 HydrophobicContact CB-CE1 3.52Å; A227-Y237 HydrophobicContact CB-CE2 4.25Å; A227-Y237 HydrophobicContact CB-CG 3.83Å; A227-V479 HydrophobicContact CB-CG1 3.86Å
228C91.1Very high90.5Very high12 Ų1238 Ų388%0.08122%0.215CC..Hα-helixtrans-61-36.6174.3-69.90000113.3A224 S225 C226 H231 P232 Y237 K238A224-C228 PolarHBondContact O-N 3.44Å; A224-C228 PolarHBondContact O-SG 3.26Å; S225-C228 WeakPolarHBondContact O-CB 3.38Å; S225-C228 PolarHBondContact O-N 2.94Å; C226-C228 VanDerWaalsContact C-N 3.33Å; C226-C228 PolarHBondContact O-N 3.18Å; C228-H231 CarbonylContact O-C 3.33Å; C228-P232 WeakPolarHBondContact O-CA 3.42Å; C228-Y237 PolarHBondContact SG-O 3.39Å; C228-K238 PolarHBondContact SG-N 3.46Å
229L91.3Very high90.4Very high44 Ų4440.2 Ų40.223%0.2323%0.233CC..Hα-helixtrans-76.1-35.8-178-72.2172.3000111.9G168 E170 L173 S225 C226 A227G168-L229 WeakPolarHBondContact O-CD2 3.39Å; E170-L229 HydrophobicContact CG-CB 4.43Å; L173-L229 HydrophobicContact CB-CD1 4.13Å; L173-L229 HydrophobicContact CD2-CD1 3.83Å; S225-L229 WeakPolarHBondContact O-CG 3.49Å; S225-L229 PolarHBondContact O-N 3.34Å; S225-L229 VanDerWaalsContact O-N 3.11Å; C226-L229 PolarHBondContact O-N 3.43Å; C226-L229 VanDerWaalsContact O-N 3.11Å; A227-L229 VanDerWaalsContact C-N 3.3Å; A227-L229 PolarHBondContact O-N 3.01Å
230Q87.5Confident90.3Very high79 Ų7937.8 Ų37.837%0.36922%0.218SC..Hα-helixtrans-75.2-35.2176.1-68.3-164.6-9.900113.3E170 C226 A227 P232 V479E170-Q230 WeakPolarHBondContact OE1-CG 3.43Å; E170-Q230 PolarHBondContact OE1-NE2 3.42Å; C226-Q230 PolarHBondContact O-N 3.02Å; C226-Q230 VanDerWaalsContact O-N 3.07Å; A227-Q230 PolarHBondContact O-N 3.38Å; Q230-P232 VanDerWaalsContact C-CD 3.49Å; Q230-P232 WeakPolarHBondContact O-CD 3.43Å; Q230-V479 VanDerWaalsContact CD-CG2 3.48Å; Q230-V479 VanDerWaalsContact OE1-CB 3.29Å
231H88.3Confident90.4Very high27 Ų2739.1 Ų39.113%0.12522%0.222CC..  trans-126.670.3-177.8-51.2-69000111.7A227 C228 D233 V234 Y237 S477A227-H231 PolarHBondContact O-N 3.45Å; C228-H231 CarbonylContact O-C 3.33Å; H231-D233 PolarHBondContact O-N 3.28Å; H231-V234 HydrophobicContact CB-CB 4.33Å; H231-V234 HydrophobicContact CB-CG2 3.95Å; H231-V234 PolarHBondContact O-N 2.96Å; H231-V234 VanDerWaalsContact O-N 3.16Å; H231-Y237 HydrophobicContact CB-CD2 3.99Å; H231-Y237 HydrophobicContact CB-CE2 3.85Å; H231-Y237 AromaticContact CD2-CE2 3.77Å; H231-S477 WeakPolarHBondContact NE2-CB 3.37Å; H231-S477 PolarHBondContact NE2-OG 2.97Å
232P88.1Confident90.3Very high108 Ų10841.3 Ų41.370%0.70123%0.234SC*.THydrogen-bonded Turntrans-64.9-18.9-177.6-20.533.6000114.1C228 Q230 V234C228-P232 WeakPolarHBondContact O-CA 3.42Å; Q230-P232 VanDerWaalsContact C-CD 3.49Å; Q230-P232 WeakPolarHBondContact O-CD 3.43Å; P232-V234 VanDerWaalsContact C-N 3.33Å
233D88.3Confident90.3Very high113 Ų11340.2 Ų40.260%0.60423%0.233SC*.THydrogen-bonded Turntrans-74.4-20.1177.757.8-39.6000113.1H231 A235 K474H231-D233 PolarHBondContact O-N 3.28Å; D233-A235 PolarHBondContact O-N 3.44Å; D233-K474 IonicContact OD1-NZ 2.69Å; D233-K474 WeakPolarHBondContact OD2-CE 3.45Å; D233-K474 IonicContact OD2-NZ 3.03Å; D233-K474 PolarHBondContact OD2-NZ 3.14Å
234V88.4Confident90.5Very high15 Ų1538.7 Ų38.79%0.09122%0.224CC..  trans-92.998.8-175.7-178.30000110.7H231 P232 A236 Y237 A470 A473 K474H231-V234 HydrophobicContact CB-CB 4.33Å; H231-V234 HydrophobicContact CB-CG2 3.95Å; H231-V234 PolarHBondContact O-N 2.96Å; H231-V234 VanDerWaalsContact O-N 3.16Å; P232-V234 VanDerWaalsContact C-N 3.33Å; V234-A236 HydrophobicContact CG1-CB 4.14Å; V234-A236 PolarHBondContact O-N 2.94Å; V234-A236 VanDerWaalsContact O-N 3.12Å; V234-Y237 HydrophobicContact CB-CD2 3.71Å; V234-Y237 HydrophobicContact CB-CE2 4.06Å; V234-Y237 HydrophobicContact CG1-CD2 3.76Å; V234-Y237 HydrophobicContact CG1-CE2 3.97Å; V234-Y237 HydrophobicContact CG1-CG 4.43Å; V234-Y237 HydrophobicContact CG2-CD2 4.48Å; V234-Y237 HydrophobicContact CG2-CE2 4.4Å; V234-Y237 PolarHBondContact O-N 2.86Å; V234-A470 HydrophobicContact CG1-CB 4Å; V234-A473 HydrophobicContact CG1-CB 4.25Å; V234-A473 HydrophobicContact CG2-CB 4.15Å; V234-K474 HydrophobicContact CG2-CG 4.1Å
235A89.6Confident90.7Very high81 Ų8139.6 Ų39.667%0.66923%0.227SC*.Hα-helixtrans-57.2-29-178.600000114.2D233 Y237 K238 A239D233-A235 PolarHBondContact O-N 3.44Å; A235-Y237 PolarHBondContact O-N 3.12Å; A235-K238 PolarHBondContact O-N 3.42Å; A235-A239 PolarHBondContact O-N 3.19Å
236A87.8Confident90.7Very high18 Ų1845.6 Ų45.615%0.14925%0.253CS..Hα-helixtrans-61.3-38.7179.500000112.9V234 A239 N240 L469 A470V234-A236 HydrophobicContact CG1-CB 4.14Å; V234-A236 PolarHBondContact O-N 2.94Å; V234-A236 VanDerWaalsContact O-N 3.12Å; A236-A239 PolarHBondContact O-N 3.3Å; A236-N240 WeakPolarHBondContact O-CB 3.31Å; A236-N240 PolarHBondContact O-N 3.39Å; A236-L469 HydrophobicContact CB-CB 4.24Å; A236-A470 HydrophobicContact CB-CB 3.97Å
237Y88.1Confident90.8Very high1 Ų145.8 Ų45.80%0.00425%0.252CS..Hα-helixtrans-64.5-44176.2-70.7-52000111.6A227 C228 H231 V234 A235 A239 N240 R241 A470 A480A227-Y237 HydrophobicContact CB-CD1 3.46Å; A227-Y237 VanDerWaalsContact CB-CD1 3.46Å; A227-Y237 HydrophobicContact CB-CD2 4.17Å; A227-Y237 HydrophobicContact CB-CE1 3.52Å; A227-Y237 HydrophobicContact CB-CE2 4.25Å; A227-Y237 HydrophobicContact CB-CG 3.83Å; C228-Y237 PolarHBondContact SG-O 3.39Å; H231-Y237 HydrophobicContact CB-CD2 3.99Å; H231-Y237 HydrophobicContact CB-CE2 3.85Å; H231-Y237 AromaticContact CD2-CE2 3.77Å; V234-Y237 HydrophobicContact CB-CD2 3.71Å; V234-Y237 HydrophobicContact CB-CE2 4.06Å; V234-Y237 HydrophobicContact CG1-CD2 3.76Å; V234-Y237 HydrophobicContact CG1-CE2 3.97Å; V234-Y237 HydrophobicContact CG1-CG 4.43Å; V234-Y237 HydrophobicContact CG2-CD2 4.48Å; V234-Y237 HydrophobicContact CG2-CE2 4.4Å; V234-Y237 PolarHBondContact O-N 2.86Å; A235-Y237 PolarHBondContact O-N 3.12Å; Y237-A239 PolarHBondContact O-N 3.05Å; Y237-N240 PolarHBondContact O-N 3.18Å; Y237-R241 WeakPolarHBondContact O-CB 3.45Å; Y237-R241 PolarHBondContact O-N 2.92Å; Y237-A470 HydrophobicContact CD1-CB 3.42Å; Y237-A470 VanDerWaalsContact CD1-CB 3.42Å; Y237-A470 HydrophobicContact CD2-CB 4.05Å; Y237-A470 HydrophobicContact CE1-CB 3.08Å; Y237-A470 HydrophobicContact CE2-CB 3.73Å; Y237-A470 HydrophobicContact CG-CB 3.87Å; Y237-A470 PolarHBondContact OH-O 3.38Å; Y237-A480 WeakPolarHBondContact OH-CA 3.37Å; Y237-A480 WeakPolarHBondContact OH-CB 3.38Å
238K90.2Very high91.2Very high122 Ų12245.8 Ų45.853%0.5325%0.252SS..Hα-helixtrans-62.6-45.3179.3-174.2175.8178.7179.60111.4C228 A235 N240 R241 D242C228-K238 PolarHBondContact SG-N 3.46Å; A235-K238 PolarHBondContact O-N 3.42Å; K238-N240 VanDerWaalsContact C-N 3.31Å; K238-N240 PolarHBondContact O-N 3.33Å; K238-R241 PolarHBondContact O-N 3.32Å; K238-D242 WeakPolarHBondContact O-CB 3.46Å; K238-D242 PolarHBondContact O-N 2.76Å
239A90.8Very high91.3Very high49 Ų4948.4 Ų48.441%0.40526%0.264SS..Hα-helixtrans-58.7-44.1174.800000111.4A235 A236 Y237 D242 L243A235-A239 PolarHBondContact O-N 3.19Å; A236-A239 PolarHBondContact O-N 3.3Å; Y237-A239 PolarHBondContact O-N 3.05Å; A239-D242 PolarHBondContact O-N 3Å; A239-L243 WeakPolarHBondContact O-CB 3.48Å; A239-L243 PolarHBondContact O-N 3.3Å
240N91.6Very high91.4Very high0 Ų052 Ų520%028%0.279CS..Hα-helixtrans-63.5-49179-157.231.1000112.3A236 Y237 K238 D242 L243 I244 Q463 N466 F487A236-N240 WeakPolarHBondContact O-CB 3.31Å; A236-N240 PolarHBondContact O-N 3.39Å; Y237-N240 PolarHBondContact O-N 3.18Å; K238-N240 VanDerWaalsContact C-N 3.31Å; K238-N240 PolarHBondContact O-N 3.33Å; N240-D242 VanDerWaalsContact C-N 3.34Å; N240-D242 PolarHBondContact O-N 2.95Å; N240-L243 PolarHBondContact O-N 3.31Å; N240-I244 WeakPolarHBondContact O-CD1 3.01Å; N240-I244 VanDerWaalsContact O-CG1 3.27Å; N240-I244 WeakPolarHBondContact O-CG1 3.01Å; N240-I244 PolarHBondContact O-N 3.38Å; N240-Q463 WeakPolarHBondContact OD1-CA 3.26Å; N240-Q463 WeakPolarHBondContact OD1-CB 3.17Å; N240-Q463 WeakPolarHBondContact OD1-CG 3.48Å; N240-Q463 PolarHBondContact OD1-O 3.03Å; N240-N466 HydrophobicContact CB-CB 3.92Å; N240-F487 WeakPolarHBondContact ND2-CE2 3.28Å; N240-F487 WeakPolarHBondContact ND2-CZ 3.36Å
241R94.2Very high91.6Very high32 Ų3248.6 Ų48.612%0.12126%0.264CS..Hα-helixtrans-56.9-46177.3-176.2-16866.6-178-2.4112.2R165 L221 A224 S225 Y237 K238 L243 I244 Y245R165-R241 PolarHBondContact O-NH1 3.3Å; L221-R241 HydrophobicContact CD1-CG 3.86Å; A224-R241 HydrophobicContact CB-CB 4.18Å; S225-R241 VanDerWaalsContact OG-CD 3.25Å; S225-R241 WeakPolarHBondContact OG-CD 3.34Å; S225-R241 WeakPolarHBondContact OG-CG 3.44Å; Y237-R241 WeakPolarHBondContact O-CB 3.45Å; Y237-R241 PolarHBondContact O-N 2.92Å; K238-R241 PolarHBondContact O-N 3.32Å; R241-L243 VanDerWaalsContact C-N 3.32Å; R241-L243 PolarHBondContact O-N 2.54Å; R241-I244 PolarHBondContact O-N 3.46Å; R241-Y245 WeakPolarHBondContact O-CB 3.43Å; R241-Y245 PolarHBondContact O-N 3.1Å
242D93.9Very high91.9Very high46 Ų4647.4 Ų47.425%0.24626%0.259CS..Hα-helixtrans-68.1-33.2-178.7-72.7-26.7000111.9R165 K238 A239 N240 K246R165-D242 IonicContact CZ-OD1 3.36Å; R165-D242 VanDerWaalsContact CZ-OD1 3.28Å; R165-D242 IonicContact NE-OD1 2.68Å; R165-D242 PolarHBondContact NE-OD1 2.91Å; R165-D242 IonicContact NH2-OD1 3.28Å; R165-D242 PolarHBondContact NH2-OD1 3.06Å; R165-D242 IonicContact NH2-OD2 4Å; K238-D242 WeakPolarHBondContact O-CB 3.46Å; K238-D242 PolarHBondContact O-N 2.76Å; A239-D242 PolarHBondContact O-N 3Å; N240-D242 VanDerWaalsContact C-N 3.34Å; N240-D242 PolarHBondContact O-N 2.95Å; D242-K246 WeakPolarHBondContact O-CB 3.48Å; D242-K246 PolarHBondContact O-N 3.26Å
243L93.4Very high92.2Very high50 Ų5045 Ų4526%0.26225%0.245SC..Hα-helixtrans-67.4-47.3174.7-153166.3000111.3A239 N240 R241 Y245 K246 Q247 P462 Q463A239-L243 WeakPolarHBondContact O-CB 3.48Å; A239-L243 PolarHBondContact O-N 3.3Å; N240-L243 PolarHBondContact O-N 3.31Å; R241-L243 VanDerWaalsContact C-N 3.32Å; R241-L243 PolarHBondContact O-N 2.54Å; L243-Y245 VanDerWaalsContact C-N 3.32Å; L243-Y245 PolarHBondContact O-N 2.96Å; L243-K246 PolarHBondContact O-N 2.99Å; L243-Q247 HydrophobicContact CD2-CG 4.22Å; L243-Q247 PolarHBondContact O-N 3.46Å; L243-P462 HydrophobicContact CD1-CB 4.35Å; L243-P462 HydrophobicContact CD1-CG 4.16Å; L243-Q463 HydrophobicContact CD1-CG 4.25Å; L243-Q463 HydrophobicContact CD2-CG 3.95Å
244I94.3Very high92.3Very high0 Ų040.7 Ų40.70%023%0.227CC..Hα-helixtrans-58.4-45.6175.4-61.7158.6000110.5N217 M220 L221 A224 N240 R241 K246 Q247 L248 F487N217-I244 HydrophobicContact CB-CG2 3.99Å; N217-I244 WeakPolarHBondContact O-CG2 3.31Å; M220-I244 HydrophobicContact CB-CD1 4.32Å; M220-I244 HydrophobicContact CB-CG2 4.45Å; L221-I244 HydrophobicContact CB-CG2 3.84Å; L221-I244 HydrophobicContact CD1-CB 4.47Å; L221-I244 HydrophobicContact CD1-CG2 4.32Å; A224-I244 HydrophobicContact CB-CD1 3.55Å; N240-I244 WeakPolarHBondContact O-CD1 3.01Å; N240-I244 VanDerWaalsContact O-CG1 3.27Å; N240-I244 WeakPolarHBondContact O-CG1 3.01Å; N240-I244 PolarHBondContact O-N 3.38Å; R241-I244 PolarHBondContact O-N 3.46Å; I244-K246 PolarHBondContact O-N 3.41Å; I244-Q247 PolarHBondContact O-N 2.91Å; I244-L248 HydrophobicContact CG2-CD1 3.86Å; I244-L248 WeakPolarHBondContact O-CG 3.42Å; I244-L248 PolarHBondContact O-N 3.45Å; I244-F487 HydrophobicContact CD1-CZ 3.89Å
245Y95.6Very high92.5Very high18 Ų1840 Ų407%0.07122%0.223CC..Hα-helixtrans-60.8-43.3178.4-180-107.5000112.1L161 L162 R165 L221 R241 L243 Q247 L248 Q249L161-Y245 HydrophobicContact CB-CE2 4.01Å; L162-Y245 HydrophobicContact CB-CE2 4.43Å; L162-Y245 WeakPolarHBondContact CB-OH 3.36Å; L162-Y245 HydrophobicContact CD1-CE1 4.41Å; L162-Y245 WeakPolarHBondContact CD1-OH 3.32Å; R165-Y245 HydrophobicContact CB-CD2 4.11Å; R165-Y245 HydrophobicContact CB-CE2 4.43Å; R165-Y245 HydrophobicContact CB-CG 4.46Å; R165-Y245 VanDerWaalsContact CD-CD1 3.48Å; R165-Y245 HydrophobicContact CG-CG 4.42Å; L221-Y245 HydrophobicContact CD2-CD2 4.38Å; R241-Y245 WeakPolarHBondContact O-CB 3.43Å; R241-Y245 PolarHBondContact O-N 3.1Å; L243-Y245 VanDerWaalsContact C-N 3.32Å; L243-Y245 PolarHBondContact O-N 2.96Å; Y245-Q247 VanDerWaalsContact C-N 3.32Å; Y245-Q247 PolarHBondContact O-N 3.21Å; Y245-L248 WeakPolarHBondContact O-CB 3.47Å; Y245-L248 PolarHBondContact O-N 3.32Å; Y245-Q249 HydrophobicContact CD1-CG 4.31Å; Y245-Q249 HydrophobicContact CE1-CG 3.87Å; Y245-Q249 VanDerWaalsContact CE1-NE2 3.3Å; Y245-Q249 HydrophobicContact CE2-CG 4.29Å; Y245-Q249 WeakPolarHBondContact O-CG 3.43Å; Y245-Q249 PolarHBondContact O-N 3.04Å; Y245-Q249 PolarHBondContact OH-NE2 3Å; Y245-Q249 VanDerWaalsContact OH-NE2 3.14Å
246K94.7Very high92.7Very high129 Ų12937.3 Ų37.356%0.56120%0.199SC*.Hα-helixtrans-60.4-40.9175.9-172.4179.7179-176.50112D242 L243 I244 Q249 Q250D242-K246 WeakPolarHBondContact O-CB 3.48Å; D242-K246 PolarHBondContact O-N 3.26Å; L243-K246 PolarHBondContact O-N 2.99Å; I244-K246 PolarHBondContact O-N 3.41Å; K246-Q249 PolarHBondContact O-N 3.37Å; K246-Q250 WeakPolarHBondContact O-CG 3.47Å; K246-Q250 PolarHBondContact O-N 2.96Å
247Q92.4Very high92.8Very high17 Ų1740.6 Ų40.68%0.07921%0.214CC..Hα-helixtrans-65.1-39.3175.1-70.7-178.9-5.400112.3N217 L243 I244 Y245 Q250 A251 A459 Q463N217-Q247 WeakPolarHBondContact ND2-CB 3.43Å; N217-Q247 PolarHBondContact ND2-OE1 3.24Å; L243-Q247 HydrophobicContact CD2-CG 4.22Å; L243-Q247 PolarHBondContact O-N 3.46Å; I244-Q247 PolarHBondContact O-N 2.91Å; Y245-Q247 VanDerWaalsContact C-N 3.32Å; Y245-Q247 PolarHBondContact O-N 3.21Å; Q247-Q250 PolarHBondContact O-N 3.04Å; Q247-A251 WeakPolarHBondContact O-CB 3.25Å; Q247-A251 PolarHBondContact O-N 3.22Å; Q247-A459 VanDerWaalsContact NE2-CB 3.34Å; Q247-A459 PolarHBondContact NE2-O 3.05Å; Q247-A459 VanDerWaalsContact NE2-O 3.07Å; Q247-Q463 VanDerWaalsContact CD-NE2 3.28Å
248L95.2Very high92.9Very high0 Ų040.6 Ų40.60%021%0.214CC..Hα-helixtrans-63.2-40.8175.1-75.2161.4000111.7L161 L214 N217 V218 L221 I244 Y245 Q250 A251 V252L161-L248 HydrophobicContact CD1-CB 4.21Å; L161-L248 HydrophobicContact CD2-CD1 4.13Å; L161-L248 HydrophobicContact CD2-CD2 4.5Å; L214-L248 HydrophobicContact CD1-CD2 3.81Å; N217-L248 HydrophobicContact CB-CD1 4.07Å; N217-L248 HydrophobicContact CB-CD2 3.57Å; N217-L248 HydrophobicContact CB-CG 3.67Å; V218-L248 HydrophobicContact CG2-CD2 3.85Å; L221-L248 HydrophobicContact CB-CD1 3.84Å; L221-L248 HydrophobicContact CD2-CD1 3.71Å; L221-L248 HydrophobicContact CG-CD1 4.25Å; I244-L248 HydrophobicContact CG2-CD1 3.86Å; I244-L248 WeakPolarHBondContact O-CG 3.42Å; I244-L248 PolarHBondContact O-N 3.45Å; Y245-L248 WeakPolarHBondContact O-CB 3.47Å; Y245-L248 PolarHBondContact O-N 3.32Å; L248-Q250 VanDerWaalsContact C-N 3.35Å; L248-Q250 PolarHBondContact O-N 3.14Å; L248-A251 PolarHBondContact O-N 3.18Å; L248-V252 WeakPolarHBondContact O-CB 3.26Å; L248-V252 VanDerWaalsContact O-CG2 3.29Å; L248-V252 WeakPolarHBondContact O-CG2 3.43Å; L248-V252 PolarHBondContact O-N 2.94Å
249Q94.7Very high92.8Very high68 Ų6834.8 Ų34.832%0.31819%0.189SC..Hα-helixtrans-63-40.4174-69.9-176.4-53.400112.4Y245 K246 S253Y245-Q249 HydrophobicContact CD1-CG 4.31Å; Y245-Q249 HydrophobicContact CE1-CG 3.87Å; Y245-Q249 VanDerWaalsContact CE1-NE2 3.3Å; Y245-Q249 HydrophobicContact CE2-CG 4.29Å; Y245-Q249 WeakPolarHBondContact O-CG 3.43Å; Y245-Q249 PolarHBondContact O-N 3.04Å; Y245-Q249 PolarHBondContact OH-NE2 3Å; Y245-Q249 VanDerWaalsContact OH-NE2 3.14Å; K246-Q249 PolarHBondContact O-N 3.37Å; Q249-S253 WeakPolarHBondContact O-CB 3.42Å; Q249-S253 PolarHBondContact O-N 3.27Å; Q249-S253 PolarHBondContact O-OG 2.9Å
250Q92.6Very high92.6Very high120 Ų12032.8 Ų32.856%0.56117%0.171SC*.Hα-helixtrans-64.1-42.4174.6-72.6174-15.900111.6K246 Q247 L248 S253 G254K246-Q250 WeakPolarHBondContact O-CG 3.47Å; K246-Q250 PolarHBondContact O-N 2.96Å; Q247-Q250 PolarHBondContact O-N 3.04Å; L248-Q250 VanDerWaalsContact C-N 3.35Å; L248-Q250 PolarHBondContact O-N 3.14Å; Q250-S253 PolarHBondContact O-N 3.09Å; Q250-G254 PolarHBondContact O-N 2.95Å
251A92.6Very high92Very high6 Ų633.5 Ų33.55%0.0518%0.177CC..Hα-helixtrans-62.9-45.7176.400000112.2V213 L214 Q247 L248 S253 G254 I255V213-A251 HydrophobicContact CB-CB 4.04Å; V213-A251 HydrophobicContact CG1-CB 3.84Å; L214-A251 HydrophobicContact CB-CB 4.33Å; Q247-A251 WeakPolarHBondContact O-CB 3.25Å; Q247-A251 PolarHBondContact O-N 3.22Å; L248-A251 PolarHBondContact O-N 3.18Å; A251-S253 VanDerWaalsContact C-N 3.31Å; A251-S253 PolarHBondContact O-N 3.45Å; A251-G254 PolarHBondContact O-N 3.34Å; A251-G254 VanDerWaalsContact O-N 3.16Å; A251-I255 WeakPolarHBondContact O-CG1 2.98Å; A251-I255 PolarHBondContact O-N 2.92Å
252V94.6Very high90.8Very high2 Ų234.9 Ų34.91%0.01219%0.189CC..Hα-helixtrans-56.9-45.6173.3165.60000110.8L154 E158 L161 L214 L248 G254 I255 S256L154-V252 HydrophobicContact CD1-CG1 4.46Å; L154-V252 WeakPolarHBondContact CD1-O 2.9Å; L154-V252 HydrophobicContact CD2-CG1 3.5Å; L154-V252 HydrophobicContact CG-CG1 3.81Å; E158-V252 HydrophobicContact CB-CG1 4.1Å; E158-V252 HydrophobicContact CG-CG1 4.21Å; L161-V252 HydrophobicContact CD1-CG2 4.02Å; L214-V252 HydrophobicContact CD1-CG2 4.06Å; L248-V252 WeakPolarHBondContact O-CB 3.26Å; L248-V252 VanDerWaalsContact O-CG2 3.29Å; L248-V252 WeakPolarHBondContact O-CG2 3.43Å; L248-V252 PolarHBondContact O-N 2.94Å; V252-G254 PolarHBondContact O-N 3.4Å; V252-I255 PolarHBondContact O-N 2.99Å; V252-S256 PolarHBondContact O-N 3.1Å; V252-S256 VanDerWaalsContact O-N 3.07Å
253S92.7Very high89.1Confident58 Ų5836.3 Ų36.341%0.40620%0.203SC..Hα-helixtrans-64.4-39176.3-59.10000112.3Q249 Q250 A251 S256 N257Q249-S253 WeakPolarHBondContact O-CB 3.42Å; Q249-S253 PolarHBondContact O-N 3.27Å; Q249-S253 PolarHBondContact O-OG 2.9Å; Q250-S253 PolarHBondContact O-N 3.09Å; A251-S253 VanDerWaalsContact C-N 3.31Å; A251-S253 PolarHBondContact O-N 3.45Å; S253-S256 WeakPolarHBondContact O-CB 3.43Å; S253-S256 PolarHBondContact O-N 3.38Å; S253-N257 PolarHBondContact O-N 3.26Å; S253-N257 PolarHBondContact O-ND2 3.04Å
254G91Very high86.9Confident23 Ų2338.2 Ų38.224%0.23722%0.216CC..Hα-helixtrans-62.3-46.2176.100000112.8Q250 A251 V252 S256 N257 A258Q250-G254 PolarHBondContact O-N 2.95Å; A251-G254 PolarHBondContact O-N 3.34Å; A251-G254 VanDerWaalsContact O-N 3.16Å; V252-G254 PolarHBondContact O-N 3.4Å; G254-S256 VanDerWaalsContact C-N 3.32Å; G254-S256 PolarHBondContact O-N 3.39Å; G254-N257 PolarHBondContact O-N 3.06Å; G254-A258 WeakPolarHBondContact O-CB 3.5Å; G254-A258 PolarHBondContact O-N 3.25Å
255I93.4Very high84.3Confident1 Ų146.2 Ų46.21%0.00525%0.254CS..Hα-helixtrans-59.6-44.4174.1-66.3169.1000110.1L154 A191 M207 A210 R211 L214 A251 V252 N257 A259L154-I255 HydrophobicContact CD1-CB 3.65Å; L154-I255 HydrophobicContact CD1-CG2 3.34Å; A191-I255 HydrophobicContact CB-CG2 4.12Å; M207-I255 HydrophobicContact CE-CG2 4.35Å; M207-I255 WeakPolarHBondContact CE-O 3.49Å; M207-I255 HydrophobicContact SD-CB 4.19Å; M207-I255 HydrophobicContact SD-CG1 4.2Å; M207-I255 HydrophobicContact SD-CG2 3.78Å; A210-I255 HydrophobicContact CB-CG1 3.68Å; R211-I255 HydrophobicContact CG-CD1 4.14Å; R211-I255 HydrophobicContact CG-CG1 4.26Å; L214-I255 HydrophobicContact CB-CD1 4.42Å; L214-I255 HydrophobicContact CD2-CD1 3.82Å; A251-I255 WeakPolarHBondContact O-CG1 2.98Å; A251-I255 PolarHBondContact O-N 2.92Å; V252-I255 PolarHBondContact O-N 2.99Å; I255-N257 PolarHBondContact O-N 2.89Å; I255-A259 WeakPolarHBondContact O-CB 3.46Å; I255-A259 PolarHBondContact O-N 2.92Å
256S93Very high81.4Confident24 Ų2451.5 Ų51.517%0.16828%0.283CS..Hα-helixtrans-60.9-44.9177.9-176.70000112.6L151 V252 S253 G254 Q260L151-S256 WeakPolarHBondContact CD2-OG 3.36Å; V252-S256 PolarHBondContact O-N 3.1Å; V252-S256 VanDerWaalsContact O-N 3.07Å; S253-S256 WeakPolarHBondContact O-CB 3.43Å; S253-S256 PolarHBondContact O-N 3.38Å; G254-S256 VanDerWaalsContact C-N 3.32Å; G254-S256 PolarHBondContact O-N 3.39Å; S256-Q260 WeakPolarHBondContact O-CG 3.41Å; S256-Q260 PolarHBondContact O-N 3.3Å; S256-Q260 PolarHBondContact O-NE2 3.35Å; S256-Q260 PolarHBondContact OG-NE2 3.43Å
257N89.9Confident78.7Confident87 Ų8750.7 Ų50.747%0.46529%0.294SS..Hα-helixtrans-65.7-49.4179.5-73.8-24.9000111.7S253 G254 I255 A259 Q260 A261S253-N257 PolarHBondContact O-N 3.26Å; S253-N257 PolarHBondContact O-ND2 3.04Å; G254-N257 PolarHBondContact O-N 3.06Å; I255-N257 PolarHBondContact O-N 2.89Å; N257-A259 VanDerWaalsContact C-N 3.33Å; N257-A259 PolarHBondContact O-N 3.23Å; N257-Q260 PolarHBondContact O-N 2.84Å; N257-A261 PolarHBondContact O-N 3.21Å
258A89.7Confident75.9Confident0 Ų054.3 Ų54.30%033%0.327CS..Hα-helixtrans-66.1-34.4179.700000112.4Q206 M207 G254 Q260 A261Q206-A258 HydrophobicContact CB-CB 4.32Å; M207-A258 HydrophobicContact CB-CB 4.01Å; M207-A258 HydrophobicContact CE-CB 3.81Å; G254-A258 WeakPolarHBondContact O-CB 3.5Å; G254-A258 PolarHBondContact O-N 3.25Å; A258-Q260 VanDerWaalsContact C-N 3.26Å; A258-Q260 PolarHBondContact O-N 3.03Å; A258-A261 WeakPolarHBondContact O-CB 3.41Å; A258-A261 PolarHBondContact O-N 3.14Å
259A89.6Confident72.9Confident0 Ų061.5 Ų61.50%037%0.365CS..Hα-helixtrans-62.2-36.3176.400000112.6L150 R194 M207 I255 N257L150-A259 HydrophobicContact CD2-CB 3.6Å; R194-A259 HydrophobicContact CG-CB 4.46Å; R194-A259 PolarHBondContact NE-O 3.27Å; R194-A259 PolarHBondContact NH2-O 2.86Å; M207-A259 HydrophobicContact CE-CB 3.81Å; M207-A259 VanDerWaalsContact CE-N 3.28Å; I255-A259 WeakPolarHBondContact O-CB 3.46Å; I255-A259 PolarHBondContact O-N 2.92Å; N257-A259 VanDerWaalsContact C-N 3.33Å; N257-A259 PolarHBondContact O-N 3.23Å
260Q86.1Confident70.1Confident8 Ų861.3 Ų61.34%0.03737%0.374CS..THydrogen-bonded Turntrans-96.24.6-174.7-64.5-174.678.800113.7N10 W13 V147 L151 S256 N257 A258 T262N10-Q260 PolarHBondContact O-NE2 3.14Å; N10-Q260 PolarHBondContact O-OE1 2.92Å; W13-Q260 PolarHBondContact NE1-O 3.38Å; V147-Q260 HydrophobicContact CG1-CG 4.11Å; L151-Q260 HydrophobicContact CD1-CG 4.1Å; L151-Q260 HydrophobicContact CD2-CG 4.31Å; S256-Q260 WeakPolarHBondContact O-CG 3.41Å; S256-Q260 PolarHBondContact O-N 3.3Å; S256-Q260 PolarHBondContact O-NE2 3.35Å; S256-Q260 PolarHBondContact OG-NE2 3.43Å; N257-Q260 PolarHBondContact O-N 2.84Å; A258-Q260 VanDerWaalsContact C-N 3.26Å; A258-Q260 PolarHBondContact O-N 3.03Å; Q260-T262 PolarHBondContact O-N 3.49Å
261A79.3Confident67.3Low15 Ų1563.9 Ų63.912%0.12439%0.386CS..  trans-52.9133.6-17700000112.7H203 N257 A258H203-A261 HydrophobicContact CB-CB 4.17Å; N257-A261 PolarHBondContact O-N 3.21Å; A258-A261 WeakPolarHBondContact O-CB 3.41Å; A258-A261 PolarHBondContact O-N 3.14Å
262T67.7Low64.7Low61 Ų6168 Ų6837%0.37441%0.413SS..  trans-105.2149.4177.448.10000110.5Q260 T264Q260-T262 PolarHBondContact O-N 3.49Å; T262-T264 PolarHBondContact O-N 3.3Å; T262-T264 VanDerWaalsContact O-N 3.11Å
263S58.3Low62.3Low76 Ų7670.6 Ų70.653%0.53144%0.44SS..SBendtrans-73.9-1.4-170.1-22.70000114.2E19E19-S263 VanDerWaalsContact OE1-CB 3.26Å; E19-S263 WeakPolarHBondContact OE1-CB 3.37Å; E19-S263 PolarHBondContact OE1-N 3.42Å; E19-S263 PolarHBondContact OE1-OG 2.92Å
264T48Very low60.7Low89 Ų8968.5 Ų68.555%0.54643%0.427SS..SBendtrans-122.2120.6-164.343.30000111.8T262T262-T264 PolarHBondContact O-N 3.3Å; T262-T264 VanDerWaalsContact O-N 3.11Å
265E38.9Very low59.4Low169 Ų16968 Ų6879%0.7942%0.421SS*.SBendtrans119.4-23147.2-64.7-177.617700118.9
266D35.1Very low58.8Low128 Ų12867.9 Ų67.968%0.68442%0.42SS*.SBendtrans-92.8-16.6-177.2-85.6-25.6000116A268 L269 A270D266-A268 PolarHBondContact O-N 3.31Å; D266-L269 PolarHBondContact O-N 3.08Å; D266-A270 WeakPolarHBondContact O-CB 3.46Å; D266-A270 PolarHBondContact O-N 2.86Å
267S38.1Very low58.5Low112 Ų11273.4 Ų73.478%0.78344%0.443SS*.THydrogen-bonded Turntrans-70-15.1-179.2-53.30000114.4
268A33.8Very low58.5Low94 Ų9469.7 Ų69.778%0.77742%0.424SS*.THydrogen-bonded Turntrans-101.3-13.1179.700000113.8D266D266-A268 PolarHBondContact O-N 3.31Å
269L32.8Very low58.3Low151 Ų15169.8 Ų69.879%0.79142%0.424SS*.THydrogen-bonded Turntrans-130.2-12.5-175-76.4169.1000114.3D266 Q271D266-L269 PolarHBondContact O-N 3.08Å; L269-Q271 PolarHBondContact O-N 3.15Å
270A34Very low58.1Low63 Ų6375.7 Ų75.752%0.52145%0.447SS..SBendtrans-60.7124.3157.100000106.9D266D266-A270 WeakPolarHBondContact O-CB 3.46Å; D266-A270 PolarHBondContact O-N 2.86Å
271Q34.8Very low58.2Low174 Ų17476.4 Ų76.481%0.81346%0.455SS*.  trans-43.3148.1167-67.9-163.8-7.300109.3L269 G273L269-Q271 PolarHBondContact O-N 3.15Å; Q271-G273 PolarHBondContact O-N 3.26Å
272P37.3Very low58.6Low94 Ų9475.9 Ų75.961%0.6145%0.45SS*.  trans-66.277.9177.529.5-33.9000109.2G274P272-G274 PolarHBondContact O-N 2.99Å
273G45.8Very low59.3Low56 Ų5675 Ų7558%0.57744%0.443SS*.  trans-76.230.6164.800000110.7Q271Q271-G273 PolarHBondContact O-N 3.26Å
274G57.6Low60.4Low13 Ų1373 Ų7313%0.13443%0.426CS..SBendtrans-82.6-71.5175.200000108.6P272 E444P272-G274 PolarHBondContact O-N 2.99Å; G274-E444 VanDerWaalsContact C-CB 3.44Å; G274-E444 VanDerWaalsContact C-CD 3.44Å; G274-E444 WeakPolarHBondContact CA-OE1 3.27Å; G274-E444 WeakPolarHBondContact O-CA 3.42Å; G274-E444 WeakPolarHBondContact O-CB 3.43Å; G274-E444 WeakPolarHBondContact O-CG 3.46Å
275A64.6Low62.3Low12 Ų1268.8 Ų68.810%0.09940%0.4CS..SBendtrans-99.4170.8-176.800000114.1E444A275-E444 HydrophobicContact CB-CG 4.21Å; A275-E444 PolarHBondContact N-OE1 3.35Å
276G79.6Confident64.4Low0 Ų062.1 Ų62.10%037%0.37CS..  trans-56.7134.9169.500000112.4L278 A279 Y280 C438 S439 S441G276-L278 VanDerWaalsContact C-N 3.34Å; G276-L278 PolarHBondContact O-N 2.93Å; G276-A279 WeakPolarHBondContact O-CB 3.38Å; G276-A279 PolarHBondContact O-N 3.27Å; G276-Y280 WeakPolarHBondContact O-CB 3.31Å; G276-Y280 PolarHBondContact O-N 3.26Å; G276-C438 WeakPolarHBondContact CA-O 3.32Å; G276-S439 CarbonylContact C-O 3.04Å; G276-S439 VanDerWaalsContact CA-O 3.3Å; G276-S439 WeakPolarHBondContact CA-O 3.35Å; G276-S441 WeakPolarHBondContact CA-O 3.34Å; G276-S441 PolarHBondContact N-O 2.82Å
277E86.7Confident66.4Low139 Ų13963.4 Ų63.465%0.6537%0.37SS*.Hα-helixtrans-59.8-42.9-174.1-69.7164.6-147.800112.3A281 S439 R451E277-A281 WeakPolarHBondContact O-CB 3.21Å; E277-A281 PolarHBondContact O-N 3.11Å; E277-S439 PolarHBondContact N-O 2.79Å; E277-R451 IonicContact OE1-NH2 2.87Å; E277-R451 PolarHBondContact OE1-NH2 3.49Å
278L90.1Very high68.4Low10 Ų1060.6 Ų60.65%0.05234%0.344CS..Hα-helixtrans-73.3-37.8178-175.256.2000111.4G276 A281 L282 I312 L382 S439 I440G276-L278 VanDerWaalsContact C-N 3.34Å; G276-L278 PolarHBondContact O-N 2.93Å; L278-A281 PolarHBondContact O-N 2.95Å; L278-L282 HydrophobicContact CD1-CD1 4.4Å; L278-L282 HydrophobicContact CD1-CG 4.44Å; L278-L282 HydrophobicContact CG-CD1 4.14Å; L278-L282 WeakPolarHBondContact O-CB 3.16Å; L278-L282 WeakPolarHBondContact O-CG 3.27Å; L278-L282 PolarHBondContact O-N 3.05Å; L278-I312 HydrophobicContact CD1-CB 4.37Å; L278-I312 HydrophobicContact CD1-CG2 4.05Å; L278-L382 HydrophobicContact CD2-CD1 3.82Å; L278-L382 HydrophobicContact CG-CD1 4.4Å; L278-S439 WeakPolarHBondContact CA-O 3.42Å; L278-S439 WeakPolarHBondContact CB-O 3.41Å; L278-S439 PolarHBondContact N-O 3.23Å; L278-I440 HydrophobicContact CB-CG2 4.49Å; L278-I440 HydrophobicContact CD2-CG2 3.96Å; L278-I440 HydrophobicContact CG-CG2 4.4Å
279A87.1Confident70.7Confident2 Ų256.1 Ų56.12%0.01731%0.307CS..Hα-helixtrans-59.3-47.2173.400000111.4G276 N283 S439 I440 S441 N442G276-A279 WeakPolarHBondContact O-CB 3.38Å; G276-A279 PolarHBondContact O-N 3.27Å; A279-N283 WeakPolarHBondContact O-CB 3.48Å; A279-N283 PolarHBondContact O-N 3.22Å; A279-N283 PolarHBondContact O-ND2 3.36Å; A279-S439 PolarHBondContact N-O 2.99Å; A279-I440 WeakPolarHBondContact CB-O 3.46Å; A279-S441 WeakPolarHBondContact CB-O 3.45Å; A279-N442 WeakPolarHBondContact CB-OD1 3.23Å
280Y84.1Confident72.9Confident123 Ų12351.9 Ų51.948%0.48229%0.285SS..Hα-helixtrans-62-46.9175.9178.9-93.1000111.3G276 L282 N283 N284G276-Y280 WeakPolarHBondContact O-CB 3.31Å; G276-Y280 PolarHBondContact O-N 3.26Å; Y280-L282 PolarHBondContact O-N 3.41Å; Y280-N283 PolarHBondContact O-N 3.34Å; Y280-N284 HydrophobicContact CE1-CB 4.39Å; Y280-N284 WeakPolarHBondContact O-CB 3.46Å; Y280-N284 PolarHBondContact O-N 3.16Å
281A87.6Confident74.8Confident24 Ų2450.1 Ų50.120%0.19827%0.266CS..Hα-helixtrans-58.5-48.8178.400000111.8E277 L278 N284 F285 I312E277-A281 WeakPolarHBondContact O-CB 3.21Å; E277-A281 PolarHBondContact O-N 3.11Å; L278-A281 PolarHBondContact O-N 2.95Å; A281-N284 PolarHBondContact O-N 2.97Å; A281-F285 VanDerWaalsContact O-CB 3.28Å; A281-F285 WeakPolarHBondContact O-CB 3.36Å; A281-F285 PolarHBondContact O-N 3Å; A281-I312 HydrophobicContact CB-CG1 3.81Å
282L88.6Confident76.2Confident3 Ų343.7 Ų43.72%0.01624%0.238CC..Hα-helixtrans-59.6-48.5176.3-76.5163.2000111.9L278 Y280 N284 F285 D286 I312 R379 L382L278-L282 HydrophobicContact CD1-CD1 4.4Å; L278-L282 HydrophobicContact CD1-CG 4.44Å; L278-L282 HydrophobicContact CG-CD1 4.14Å; L278-L282 WeakPolarHBondContact O-CB 3.16Å; L278-L282 WeakPolarHBondContact O-CG 3.27Å; L278-L282 PolarHBondContact O-N 3.05Å; Y280-L282 PolarHBondContact O-N 3.41Å; L282-N284 VanDerWaalsContact C-N 3.33Å; L282-N284 PolarHBondContact O-N 3.48Å; L282-F285 PolarHBondContact O-N 2.94Å; L282-D286 PolarHBondContact O-N 3.48Å; L282-I312 HydrophobicContact CD2-CD1 4.2Å; L282-I312 HydrophobicContact CD2-CG1 4.47Å; L282-I312 HydrophobicContact CD2-CG2 3.57Å; L282-I312 HydrophobicContact CG-CD1 4.49Å; L282-I312 HydrophobicContact CG-CG1 4.48Å; L282-I312 HydrophobicContact CG-CG2 4.06Å; L282-R379 HydrophobicContact CD1-CB 4.24Å; L282-R379 HydrophobicContact CD1-CG 4.22Å; L282-L382 HydrophobicContact CD1-CD1 4.09Å
283N81.7Confident77.6Confident44 Ų4439.4 Ų39.424%0.23521%0.21CC..Hα-helixtrans-65.7-36.5-179.8-69.2-19.7000112.8A279 Y280 K287 R379 N442A279-N283 WeakPolarHBondContact O-CB 3.48Å; A279-N283 PolarHBondContact O-N 3.22Å; A279-N283 PolarHBondContact O-ND2 3.36Å; Y280-N283 PolarHBondContact O-N 3.34Å; N283-K287 WeakPolarHBondContact O-CG 3.43Å; N283-K287 PolarHBondContact O-N 2.87Å; N283-R379 PolarHBondContact OD1-NH2 2.93Å; N283-N442 PolarHBondContact ND2-OD1 3.48Å
284N81.9Confident78.4Confident33 Ų3340.4 Ų40.418%0.17621%0.205CC..Hα-helixtrans-71.9-39.4177.3-177.144.7000110.7Y280 A281 L282 K287 Q288 R308Y280-N284 HydrophobicContact CE1-CB 4.39Å; Y280-N284 WeakPolarHBondContact O-CB 3.46Å; Y280-N284 PolarHBondContact O-N 3.16Å; A281-N284 PolarHBondContact O-N 2.97Å; L282-N284 VanDerWaalsContact C-N 3.33Å; L282-N284 PolarHBondContact O-N 3.48Å; N284-K287 PolarHBondContact O-N 3.49Å; N284-Q288 VanDerWaalsContact CG-NE2 3.31Å; N284-Q288 PolarHBondContact ND2-NE2 2.98Å; N284-Q288 VanDerWaalsContact O-CG 3.3Å; N284-Q288 WeakPolarHBondContact O-CG 3.24Å; N284-Q288 PolarHBondContact O-N 3.26Å; N284-Q288 VanDerWaalsContact O-N 3.15Å; N284-Q288 PolarHBondContact OD1-NE2 3.27Å; N284-R308 PolarHBondContact ND2-NH1 3.4Å
285F87.7Confident78.7Confident1 Ų142 Ų420%0.00422%0.22CC..Hα-helixtrans-61.4-46.6174.3-176-92.3000111.9A281 L282 K287 Q288 I289 L305 R308 L309 I312 L344 M371 T375A281-F285 VanDerWaalsContact O-CB 3.28Å; A281-F285 WeakPolarHBondContact O-CB 3.36Å; A281-F285 PolarHBondContact O-N 3Å; L282-F285 PolarHBondContact O-N 2.94Å; F285-K287 PolarHBondContact O-N 2.87Å; F285-K287 VanDerWaalsContact O-N 3.15Å; F285-Q288 PolarHBondContact O-N 3.43Å; F285-I289 HydrophobicContact CD1-CG2 3.89Å; F285-I289 HydrophobicContact CE1-CG2 3.44Å; F285-I289 VanDerWaalsContact CE1-CG2 3.44Å; F285-I289 HydrophobicContact CE2-CG2 4.18Å; F285-I289 HydrophobicContact CG-CG2 4.42Å; F285-I289 HydrophobicContact CZ-CG2 3.62Å; F285-I289 PolarHBondContact O-N 3.2Å; F285-L305 HydrophobicContact CE2-CD2 4.26Å; F285-R308 HydrophobicContact CD2-CB 3.92Å; F285-R308 HydrophobicContact CE2-CB 4.45Å; F285-L309 HydrophobicContact CE1-CD1 4.45Å; F285-L309 HydrophobicContact CE2-CB 3.89Å; F285-L309 HydrophobicContact CE2-CD1 4.49Å; F285-L309 HydrophobicContact CZ-CB 4.17Å; F285-L309 HydrophobicContact CZ-CD1 4.16Å; F285-I312 HydrophobicContact CB-CD1 3.55Å; F285-I312 HydrophobicContact CD1-CD1 4.35Å; F285-I312 HydrophobicContact CD2-CD1 4.14Å; F285-I312 HydrophobicContact CG-CD1 3.76Å; F285-L344 HydrophobicContact CZ-CD1 4.26Å; F285-L344 HydrophobicContact CZ-CD2 4.44Å; F285-M371 HydrophobicContact CE1-CE 3.93Å; F285-M371 HydrophobicContact CE1-CG 4.43Å; F285-M371 HydrophobicContact CE1-SD 4.35Å; F285-M371 HydrophobicContact CZ-CE 4.37Å; F285-T375 HydrophobicContact CD1-CG2 3.77Å; F285-T375 HydrophobicContact CE1-CG2 3.75Å
286D83Confident79.1Confident29 Ų2942.1 Ų42.116%0.15522%0.219CC..Hα-helixtrans-56.2-32.6175.8-75.7-24.1000112.9L282 I289 T375 R379L282-D286 PolarHBondContact O-N 3.48Å; D286-I289 VanDerWaalsContact O-CG1 3.3Å; D286-I289 WeakPolarHBondContact O-CG1 3.27Å; D286-T375 VanDerWaalsContact OD1-CB 3.23Å; D286-T375 WeakPolarHBondContact OD1-CB 3.41Å; D286-T375 PolarHBondContact OD1-OG1 3.02Å; D286-R379 IonicContact OD2-CZ 2.63Å; D286-R379 IonicContact OD2-NH1 3.21Å; D286-R379 PolarHBondContact OD2-NH1 3.36Å; D286-R379 IonicContact OD2-NH2 3.83Å; D286-R379 PolarHBondContact OD2-NH2 3.43Å
287K78.4Confident78.8Confident155 Ų15545.6 Ų45.667%0.67424%0.24SC*.Hα-helixtrans-75.3-32175.4-67.7167.2-169.8171.30112.6N283 N284 F285N283-K287 WeakPolarHBondContact O-CG 3.43Å; N283-K287 PolarHBondContact O-N 2.87Å; N284-K287 PolarHBondContact O-N 3.49Å; F285-K287 PolarHBondContact O-N 2.87Å; F285-K287 VanDerWaalsContact O-N 3.15Å
288Q78.7Confident78.3Confident52 Ų5242.8 Ų42.824%0.24323%0.227CC..Hα-helixtrans-89.4-19.7-171.5-70.8-172.229.100114.1N284 F285 I290 L291 L305 R308N284-Q288 VanDerWaalsContact CG-NE2 3.31Å; N284-Q288 PolarHBondContact ND2-NE2 2.98Å; N284-Q288 VanDerWaalsContact O-CG 3.3Å; N284-Q288 WeakPolarHBondContact O-CG 3.24Å; N284-Q288 PolarHBondContact O-N 3.26Å; N284-Q288 VanDerWaalsContact O-N 3.15Å; N284-Q288 PolarHBondContact OD1-NE2 3.27Å; F285-Q288 PolarHBondContact O-N 3.43Å; Q288-I290 PolarHBondContact O-N 3.03Å; Q288-L291 VanDerWaalsContact O-CD2 3.26Å; Q288-L291 WeakPolarHBondContact O-CD2 3.15Å; Q288-L291 WeakPolarHBondContact O-CG 3.37Å; Q288-L305 HydrophobicContact CB-CD2 4.31Å; Q288-R308 VanDerWaalsContact OE1-CD 3.26Å
289I82.4Confident77.8Confident0 Ų051.3 Ų51.30%027%0.266CS..SBendtrans-70.1-17.3174.857.7170.4000113.2F285 D286 L291 L305 L347 Y351 M371F285-I289 HydrophobicContact CD1-CG2 3.89Å; F285-I289 HydrophobicContact CE1-CG2 3.44Å; F285-I289 VanDerWaalsContact CE1-CG2 3.44Å; F285-I289 HydrophobicContact CE2-CG2 4.18Å; F285-I289 HydrophobicContact CG-CG2 4.42Å; F285-I289 HydrophobicContact CZ-CG2 3.62Å; F285-I289 PolarHBondContact O-N 3.2Å; D286-I289 VanDerWaalsContact O-CG1 3.3Å; D286-I289 WeakPolarHBondContact O-CG1 3.27Å; I289-L291 PolarHBondContact O-N 3.33Å; I289-L305 HydrophobicContact CG2-CD2 4.22Å; I289-L347 HydrophobicContact CB-CD2 4.06Å; I289-L347 HydrophobicContact CG2-CD2 4.34Å; I289-Y351 PolarHBondContact O-OH 3.49Å; I289-M371 HydrophobicContact CB-CG 4.44Å; I289-M371 HydrophobicContact CD1-CB 4.1Å; I289-M371 HydrophobicContact CD1-CG 3.6Å; I289-M371 HydrophobicContact CG2-CG 4.14Å
290I79.1Confident77.3Confident63 Ų6359.9 Ų59.932%0.32330%0.298SS..  trans-94.192.2177.6-51.9-179000109.3Q288 I368 L784Q288-I290 PolarHBondContact O-N 3.03Å; I290-I368 HydrophobicContact CG1-CG2 4.06Å; I290-L784 HydrophobicContact CD1-CD1 3.89Å
291L73.2Confident77Confident25 Ų2556.1 Ų56.113%0.13128%0.284CS..  trans-103.9164.1-177.9-59.3170.9000111.6Q288 I289 F296 F301 L305 Y351 K360Q288-L291 VanDerWaalsContact O-CD2 3.26Å; Q288-L291 WeakPolarHBondContact O-CD2 3.15Å; Q288-L291 WeakPolarHBondContact O-CG 3.37Å; I289-L291 PolarHBondContact O-N 3.33Å; L291-F296 HydrophobicContact CD1-CD2 4.02Å; L291-F301 HydrophobicContact CD1-CB 4.14Å; L291-F301 HydrophobicContact CD1-CD1 3.43Å; L291-F301 VanDerWaalsContact CD1-CD1 3.43Å; L291-F301 HydrophobicContact CD1-CE1 3.99Å; L291-F301 HydrophobicContact CD1-CG 3.87Å; L291-F301 HydrophobicContact CD2-CD1 3.72Å; L291-F301 HydrophobicContact CD2-CE1 3.48Å; L291-F301 VanDerWaalsContact CD2-CE1 3.48Å; L291-F301 HydrophobicContact CD2-CZ 4.42Å; L291-F301 HydrophobicContact CG-CD1 4.22Å; L291-F301 HydrophobicContact CG-CE1 4.34Å; L291-L305 HydrophobicContact CD1-CD1 4.34Å; L291-Y351 HydrophobicContact CB-CE1 3.93Å; L291-Y351 PolarHBondContact N-OH 3.04Å; L291-K360 VanDerWaalsContact O-CE 3.25Å; L291-K360 WeakPolarHBondContact O-CE 3.41Å; L291-K360 PolarHBondContact O-NZ 3.45Å; L291-K360 VanDerWaalsContact O-NZ 3.13Å
292D65.6Low77Confident40 Ų4058.1 Ų58.121%0.21429%0.287CS..  trans-82118.4164.5-169.5-27.1000108.5V294 G295 F296 R760D292-V294 PolarHBondContact O-N 2.76Å; D292-V294 VanDerWaalsContact O-N 3.13Å; D292-V294 PolarHBondContact OD1-N 3.1Å; D292-V294 VanDerWaalsContact OD1-N 3.09Å; D292-G295 PolarHBondContact O-N 3.39Å; D292-F296 PolarHBondContact O-N 3.48Å; D292-R760 IonicContact OD2-NH1 3.6Å; D292-R760 PolarHBondContact OD2-NH1 3.18Å
293P65.7Low76.9Confident3 Ų361.1 Ų61.12%0.01931%0.307CS..THydrogen-bonded Turntrans-59.2-24.9-178.4-20.831.1000113.9G295 N354 K360 L364P293-G295 VanDerWaalsContact C-N 3.35Å; P293-N354 WeakPolarHBondContact CB-ND2 3.48Å; P293-K360 HydrophobicContact CG-CG 3.62Å; P293-L364 HydrophobicContact CG-CD2 3.89Å
294V63.9Low77Confident78 Ų7860.9 Ų60.947%0.47331%0.308SS..THydrogen-bonded Turntrans-72.3-32.4177.6-177.70000111.5D292 R357 K358D292-V294 PolarHBondContact O-N 2.76Å; D292-V294 VanDerWaalsContact O-N 3.13Å; D292-V294 PolarHBondContact OD1-N 3.1Å; D292-V294 VanDerWaalsContact OD1-N 3.09Å; V294-R357 VanDerWaalsContact CG2-O 3.25Å; V294-R357 WeakPolarHBondContact CG2-O 3.15Å; V294-K358 HydrophobicContact CG2-CB 4.47Å; V294-K358 HydrophobicContact CG2-CG 4.06Å
295G63.3Low77.4Confident45 Ų4559.5 Ų59.546%0.46430%0.301SS..THydrogen-bonded Turntrans-90-5.5179.600000113.9D292 P293 T297 F301D292-G295 PolarHBondContact O-N 3.39Å; P293-G295 VanDerWaalsContact C-N 3.35Å; G295-T297 PolarHBondContact O-N 3.25Å; G295-F301 WeakPolarHBondContact O-CE2 3.46Å
296F73.1Confident77.7Confident16 Ų1662.1 Ų62.17%0.0731%0.313CS..  trans-68.6128.1-178.9-179.9-96.3000111L291 D292 E298 F301 L348 Y351 M352L291-F296 HydrophobicContact CD1-CD2 4.02Å; D292-F296 PolarHBondContact O-N 3.48Å; F296-E298 HydrophobicContact CE1-CB 4.43Å; F296-F301 HydrophobicContact CD2-CB 3.85Å; F296-F301 HydrophobicContact CD2-CD2 4.2Å; F296-F301 HydrophobicContact CD2-CG 4.13Å; F296-F301 HydrophobicContact CE2-CB 3.66Å; F296-F301 HydrophobicContact CE2-CG 4.43Å; F296-L348 HydrophobicContact CE2-CD2 4.47Å; F296-L348 HydrophobicContact CZ-CD2 4.49Å; F296-Y351 HydrophobicContact CB-CD1 4.47Å; F296-Y351 HydrophobicContact CD2-CD1 4.15Å; F296-Y351 HydrophobicContact CD2-CG 4.06Å; F296-Y351 HydrophobicContact CE2-CG 4.15Å; F296-Y351 HydrophobicContact CG-CD1 4.26Å; F296-Y351 HydrophobicContact CG-CG 4.42Å; F296-M352 HydrophobicContact CE1-CG 4.29Å
297T72.7Confident78.1Confident72 Ų7267.6 Ų67.644%0.44234%0.338SS..  trans-134.2123.617342.60000107.8G295 E299 R300 F301G295-T297 PolarHBondContact O-N 3.25Å; T297-E299 VanDerWaalsContact C-N 3.31Å; T297-E299 PolarHBondContact O-N 3.01Å; T297-R300 PolarHBondContact O-N 3.11Å; T297-R300 VanDerWaalsContact O-N 3.13Å; T297-R300 WeakPolarHBondContact OG1-CB 3.16Å; T297-F301 WeakPolarHBondContact O-CD2 3.43Å; T297-F301 PolarHBondContact O-N 3.47Å
298E76.8Confident78.7Confident81 Ų8164.6 Ų64.638%0.37932%0.322SS..Hα-helixtrans-57.5-45.6-174.3-171.3176.9-177.600111.4F296 R300 F301 R302 P303 M352F296-E298 HydrophobicContact CE1-CB 4.43Å; E298-R300 PolarHBondContact O-N 3.25Å; E298-F301 PolarHBondContact O-N 2.78Å; E298-R302 HydrophobicContact CG-CB 4.12Å; E298-R302 VanDerWaalsContact O-CB 3.28Å; E298-R302 WeakPolarHBondContact O-CB 3.47Å; E298-R302 PolarHBondContact O-N 3.17Å; E298-R302 VanDerWaalsContact O-N 3.11Å; E298-R302 IonicContact OE1-CZ 3.82Å; E298-R302 IonicContact OE1-NH1 3.36Å; E298-R302 PolarHBondContact OE1-NH1 3.37Å; E298-P303 WeakPolarHBondContact O-CD 3.44Å; E298-M352 WeakPolarHBondContact OE2-CE 3.36Å
299E79.8Confident79.5Confident188 Ų18862.2 Ų62.288%0.87931%0.311SS*.Hα-helixtrans-54.9-28.9179.6-64.8-178.9176.800114.1T297T297-E299 VanDerWaalsContact C-N 3.31Å; T297-E299 PolarHBondContact O-N 3.01Å
300R76.9Confident80.1Confident183 Ų18366 Ų6669%0.69133%0.329SS*.Hα-helixtrans-99.1-46.9-176.8-173.5-179.4177.6-172.4-1.1112.8T297 E298T297-R300 PolarHBondContact O-N 3.11Å; T297-R300 VanDerWaalsContact O-N 3.13Å; T297-R300 WeakPolarHBondContact OG1-CB 3.16Å; E298-R300 PolarHBondContact O-N 3.25Å
301F77.6Confident80.8Confident43 Ų4366.5 Ų66.519%0.18934%0.338CS..Hα-helixtrans-87.9-32.9-168.5-72.5-83.5000112.9L291 G295 F296 T297 E298 L305L291-F301 HydrophobicContact CD1-CB 4.14Å; L291-F301 HydrophobicContact CD1-CD1 3.43Å; L291-F301 VanDerWaalsContact CD1-CD1 3.43Å; L291-F301 HydrophobicContact CD1-CE1 3.99Å; L291-F301 HydrophobicContact CD1-CG 3.87Å; L291-F301 HydrophobicContact CD2-CD1 3.72Å; L291-F301 HydrophobicContact CD2-CE1 3.48Å; L291-F301 VanDerWaalsContact CD2-CE1 3.48Å; L291-F301 HydrophobicContact CD2-CZ 4.42Å; L291-F301 HydrophobicContact CG-CD1 4.22Å; L291-F301 HydrophobicContact CG-CE1 4.34Å; G295-F301 WeakPolarHBondContact O-CE2 3.46Å; F296-F301 HydrophobicContact CD2-CB 3.85Å; F296-F301 HydrophobicContact CD2-CD2 4.2Å; F296-F301 HydrophobicContact CD2-CG 4.13Å; F296-F301 HydrophobicContact CE2-CB 3.66Å; F296-F301 HydrophobicContact CE2-CG 4.43Å; T297-F301 WeakPolarHBondContact O-CD2 3.43Å; T297-F301 PolarHBondContact O-N 3.47Å; E298-F301 PolarHBondContact O-N 2.78Å; F301-L305 WeakPolarHBondContact O-CB 3.07Å; F301-L305 WeakPolarHBondContact O-CG 3.42Å; F301-L305 PolarHBondContact O-N 2.89Å
302R86.4Confident81.9Confident67 Ų6765.4 Ų65.425%0.25333%0.332SS..Hα-helixtrans-64.9-54-180175.3174.2-160.4153.610.1112.1E298 S304 L305 E306 L348E298-R302 HydrophobicContact CG-CB 4.12Å; E298-R302 VanDerWaalsContact O-CB 3.28Å; E298-R302 WeakPolarHBondContact O-CB 3.47Å; E298-R302 PolarHBondContact O-N 3.17Å; E298-R302 VanDerWaalsContact O-N 3.11Å; E298-R302 IonicContact OE1-CZ 3.82Å; E298-R302 IonicContact OE1-NH1 3.36Å; E298-R302 PolarHBondContact OE1-NH1 3.37Å; R302-S304 VanDerWaalsContact C-N 3.26Å; R302-S304 PolarHBondContact O-N 2.96Å; R302-L305 PolarHBondContact O-N 2.67Å; R302-E306 HydrophobicContact CG-CG 4.37Å; R302-E306 IonicContact CZ-OE1 2.69Å; R302-E306 IonicContact NE-OE1 3.32Å; R302-E306 PolarHBondContact NE-OE1 3.41Å; R302-E306 VanDerWaalsContact NE-OE1 3.1Å; R302-E306 IonicContact NH2-OE1 3.12Å; R302-E306 WeakPolarHBondContact O-CB 3.35Å; R302-E306 WeakPolarHBondContact O-CG 3.43Å; R302-E306 PolarHBondContact O-N 3.19Å; R302-L348 HydrophobicContact CB-CD2 4.15Å; R302-L348 HydrophobicContact CG-CD1 3.97Å; R302-L348 HydrophobicContact CG-CD2 4.39Å
303P86.3Confident83.4Confident66 Ų6664.2 Ų64.243%0.42933%0.326SS..Hα-helixtrans-59.2-38.5178.2-23.234000112.4E298 E307E298-P303 WeakPolarHBondContact O-CD 3.44Å; P303-E307 WeakPolarHBondContact O-CB 3.43Å; P303-E307 PolarHBondContact O-N 3.39Å
304S85.4Confident84.7Confident38 Ų3867.5 Ų67.527%0.26635%0.349SS..Hα-helixtrans-68.3-40.5-179.2-174.10000113.2R302 R308R302-S304 VanDerWaalsContact C-N 3.26Å; R302-S304 PolarHBondContact O-N 2.96Å; S304-R308 WeakPolarHBondContact O-CB 3.22Å; S304-R308 WeakPolarHBondContact O-CD 3.45Å; S304-R308 WeakPolarHBondContact O-CG 3.32Å; S304-R308 PolarHBondContact O-N 2.92Å; S304-R308 PolarHBondContact OG-NE 3.44Å
305L88.9Confident86.1Confident4 Ų464.8 Ų64.82%0.02134%0.337CS..Hα-helixtrans-72.7-39.3177.9-70175.4000111.4F285 Q288 I289 L291 F301 R302 R308 L309 L344 L348F285-L305 HydrophobicContact CE2-CD2 4.26Å; Q288-L305 HydrophobicContact CB-CD2 4.31Å; I289-L305 HydrophobicContact CG2-CD2 4.22Å; L291-L305 HydrophobicContact CD1-CD1 4.34Å; F301-L305 WeakPolarHBondContact O-CB 3.07Å; F301-L305 WeakPolarHBondContact O-CG 3.42Å; F301-L305 PolarHBondContact O-N 2.89Å; R302-L305 PolarHBondContact O-N 2.67Å; L305-R308 PolarHBondContact O-N 2.98Å; L305-L309 WeakPolarHBondContact O-CB 3.48Å; L305-L309 PolarHBondContact O-N 3.36Å; L305-L344 HydrophobicContact CB-CD1 4.15Å; L305-L344 HydrophobicContact CB-CD2 4.42Å; L305-L344 HydrophobicContact CD1-CD1 4.39Å; L305-L348 HydrophobicContact CD1-CD2 4.18Å
306E94Very high87.6Confident57 Ų5762.7 Ų62.727%0.26632%0.315SS..Hα-helixtrans-63.6-47.7176.1-71.8173.2161.500111.3R302 R308 L309 E310 L344 Q345 L348R302-E306 HydrophobicContact CG-CG 4.37Å; R302-E306 IonicContact CZ-OE1 2.69Å; R302-E306 IonicContact NE-OE1 3.32Å; R302-E306 PolarHBondContact NE-OE1 3.41Å; R302-E306 VanDerWaalsContact NE-OE1 3.1Å; R302-E306 IonicContact NH2-OE1 3.12Å; R302-E306 WeakPolarHBondContact O-CB 3.35Å; R302-E306 WeakPolarHBondContact O-CG 3.43Å; R302-E306 PolarHBondContact O-N 3.19Å; E306-R308 VanDerWaalsContact C-N 3.34Å; E306-R308 PolarHBondContact O-N 3.17Å; E306-L309 PolarHBondContact O-N 2.94Å; E306-E310 WeakPolarHBondContact O-CG 3.37Å; E306-E310 PolarHBondContact O-N 3.07Å; E306-L344 HydrophobicContact CG-CD2 4.24Å; E306-Q345 PolarHBondContact OE1-NE2 3.12Å; E306-Q345 VanDerWaalsContact OE1-NE2 3.12Å; E306-L348 HydrophobicContact CG-CD1 4.29Å
307E91.9Very high88.6Confident144 Ų14463.6 Ų63.667%0.67333%0.325SS*.Hα-helixtrans-59.3-43.1177-176.2-176-17200112.1P303 E310 S311P303-E307 WeakPolarHBondContact O-CB 3.43Å; P303-E307 PolarHBondContact O-N 3.39Å; E307-E310 PolarHBondContact O-N 2.84Å; E307-S311 PolarHBondContact O-N 2.76Å
308R90.1Very high89.5Confident92 Ų9266.3 Ų66.335%0.34734%0.337SS..Hα-helixtrans-66.9-39.8177.8-72.8172-170.7-72.63112.3N284 F285 Q288 S304 L305 E306 S311 I312N284-R308 PolarHBondContact ND2-NH1 3.4Å; F285-R308 HydrophobicContact CD2-CB 3.92Å; F285-R308 HydrophobicContact CE2-CB 4.45Å; Q288-R308 VanDerWaalsContact OE1-CD 3.26Å; S304-R308 WeakPolarHBondContact O-CB 3.22Å; S304-R308 WeakPolarHBondContact O-CD 3.45Å; S304-R308 WeakPolarHBondContact O-CG 3.32Å; S304-R308 PolarHBondContact O-N 2.92Å; S304-R308 PolarHBondContact OG-NE 3.44Å; L305-R308 PolarHBondContact O-N 2.98Å; E306-R308 VanDerWaalsContact C-N 3.34Å; E306-R308 PolarHBondContact O-N 3.17Å; R308-S311 WeakPolarHBondContact O-CB 3.44Å; R308-S311 PolarHBondContact O-N 3.42Å; R308-I312 WeakPolarHBondContact O-CG1 3.41Å; R308-I312 PolarHBondContact O-N 3.35Å; R308-I312 VanDerWaalsContact O-N 3.1Å
309L96.1Very high90.3Very high2 Ų262.5 Ų62.51%0.0132%0.319CS..Hα-helixtrans-66.7-42.4176.9-175.761.2000110.9F285 L305 E306 S311 I312 I313 V340 R341 L344F285-L309 HydrophobicContact CE1-CD1 4.45Å; F285-L309 HydrophobicContact CE2-CB 3.89Å; F285-L309 HydrophobicContact CE2-CD1 4.49Å; F285-L309 HydrophobicContact CZ-CB 4.17Å; F285-L309 HydrophobicContact CZ-CD1 4.16Å; L305-L309 WeakPolarHBondContact O-CB 3.48Å; L305-L309 PolarHBondContact O-N 3.36Å; E306-L309 PolarHBondContact O-N 2.94Å; L309-S311 VanDerWaalsContact C-N 3.29Å; L309-S311 PolarHBondContact O-N 3.41Å; L309-I312 WeakPolarHBondContact O-CB 3.32Å; L309-I312 PolarHBondContact O-N 2.97Å; L309-I312 VanDerWaalsContact O-N 3.11Å; L309-I313 HydrophobicContact CD1-CD1 4.44Å; L309-I313 HydrophobicContact CD1-CG1 4.5Å; L309-I313 HydrophobicContact CD2-CD1 4.45Å; L309-I313 HydrophobicContact CG-CD1 3.96Å; L309-I313 HydrophobicContact CG-CG1 4.42Å; L309-I313 WeakPolarHBondContact O-CG1 3.39Å; L309-I313 PolarHBondContact O-N 3.4Å; L309-V340 HydrophobicContact CD1-CG1 3.89Å; L309-V340 HydrophobicContact CD1-CG2 3.83Å; L309-V340 HydrophobicContact CD2-CG1 4.47Å; L309-R341 HydrophobicContact CD2-CB 4.47Å; L309-L344 HydrophobicContact CB-CD2 3.93Å; L309-L344 HydrophobicContact CD2-CB 3.82Å; L309-L344 HydrophobicContact CD2-CD2 3.49Å; L309-L344 VanDerWaalsContact CD2-CD2 3.49Å; L309-L344 HydrophobicContact CD2-CG 4.28Å; L309-L344 HydrophobicContact CG-CD2 4.34Å
310E95.8Very high91Very high78 Ų7853.7 Ų53.736%0.36428%0.278SS..Hα-helixtrans-66.5-30.7176.6-69.3-57.5149.900112.3E306 E307 I313 S314 R341E306-E310 WeakPolarHBondContact O-CG 3.37Å; E306-E310 PolarHBondContact O-N 3.07Å; E307-E310 PolarHBondContact O-N 2.84Å; E310-I313 PolarHBondContact O-N 3.2Å; E310-S314 WeakPolarHBondContact O-CB 3.4Å; E310-S314 PolarHBondContact O-N 3.04Å; E310-S314 PolarHBondContact O-OG 3.14Å; E310-R341 IonicContact OE1-CZ 2.69Å; E310-R341 IonicContact OE1-NE 2.86Å; E310-R341 PolarHBondContact OE1-NE 3.13Å; E310-R341 IonicContact OE1-NH2 3.99Å; E310-R341 PolarHBondContact OE1-NH2 2.98Å; E310-R341 VanDerWaalsContact OE1-NH2 3.13Å; E310-R341 IonicContact OE2-NH2 3.05Å; E310-R341 PolarHBondContact OE2-NH2 3.34Å
311S93.9Very high91.7Very high75 Ų7550.8 Ų50.852%0.52428%0.276SS..Hα-helixtrans-63.1-42.7168.9177.70000112.3E307 R308 L309 S314 G315E307-S311 PolarHBondContact O-N 2.76Å; R308-S311 WeakPolarHBondContact O-CB 3.44Å; R308-S311 PolarHBondContact O-N 3.42Å; L309-S311 VanDerWaalsContact C-N 3.29Å; L309-S311 PolarHBondContact O-N 3.41Å; S311-S314 PolarHBondContact O-N 3.45Å; S311-G315 PolarHBondContact O-N 2.8Å; S311-G315 VanDerWaalsContact O-N 3.11Å
312I95.3Very high92.5Very high1 Ų149.2 Ų49.21%0.00527%0.271CS..Hα-helixtrans-62.9-45.1174-70.3163000110.8L278 A281 L282 F285 R308 L309 S314 G315 A316 L378L278-I312 HydrophobicContact CD1-CB 4.37Å; L278-I312 HydrophobicContact CD1-CG2 4.05Å; A281-I312 HydrophobicContact CB-CG1 3.81Å; L282-I312 HydrophobicContact CD2-CD1 4.2Å; L282-I312 HydrophobicContact CD2-CG1 4.47Å; L282-I312 HydrophobicContact CD2-CG2 3.57Å; L282-I312 HydrophobicContact CG-CD1 4.49Å; L282-I312 HydrophobicContact CG-CG1 4.48Å; L282-I312 HydrophobicContact CG-CG2 4.06Å; F285-I312 HydrophobicContact CB-CD1 3.55Å; F285-I312 HydrophobicContact CD1-CD1 4.35Å; F285-I312 HydrophobicContact CD2-CD1 4.14Å; F285-I312 HydrophobicContact CG-CD1 3.76Å; R308-I312 WeakPolarHBondContact O-CG1 3.41Å; R308-I312 PolarHBondContact O-N 3.35Å; R308-I312 VanDerWaalsContact O-N 3.1Å; L309-I312 WeakPolarHBondContact O-CB 3.32Å; L309-I312 PolarHBondContact O-N 2.97Å; L309-I312 VanDerWaalsContact O-N 3.11Å; I312-S314 VanDerWaalsContact C-N 3.32Å; I312-S314 PolarHBondContact O-N 2.89Å; I312-G315 PolarHBondContact O-N 2.89Å; I312-A316 PolarHBondContact O-N 3.2Å; I312-L378 HydrophobicContact CG2-CD2 3.99Å
313I96.8Very high92.6Very high16 Ų1650.5 Ų50.58%0.08229%0.29CS..Hα-helixtrans-65.2-37.7-179.9-68.2173.6000110.8L309 E310 G315 A316 A317 C337 V340 R341L309-I313 HydrophobicContact CD1-CD1 4.44Å; L309-I313 HydrophobicContact CD1-CG1 4.5Å; L309-I313 HydrophobicContact CD2-CD1 4.45Å; L309-I313 HydrophobicContact CG-CD1 3.96Å; L309-I313 HydrophobicContact CG-CG1 4.42Å; L309-I313 WeakPolarHBondContact O-CG1 3.39Å; L309-I313 PolarHBondContact O-N 3.4Å; E310-I313 PolarHBondContact O-N 3.2Å; I313-G315 VanDerWaalsContact C-N 3.34Å; I313-G315 PolarHBondContact O-N 3.47Å; I313-A316 PolarHBondContact O-N 3.21Å; I313-A317 WeakPolarHBondContact O-CB 3.48Å; I313-A317 PolarHBondContact O-N 2.95Å; I313-C337 HydrophobicContact CG1-CB 4.35Å; I313-C337 HydrophobicContact CG2-CB 4.27Å; I313-V340 HydrophobicContact CD1-CG1 4.33Å; I313-V340 HydrophobicContact CG1-CG1 4.49Å; I313-R341 HydrophobicContact CD1-CB 4.48Å; I313-R341 VanDerWaalsContact CD1-NH2 3.3Å
314S94.5Very high92.7Very high71 Ų7148.4 Ų48.450%0.49728%0.277SS..Hα-helixtrans-62-42.2174.1-59.20000111.6E310 S311 I312 A317 L318E310-S314 WeakPolarHBondContact O-CB 3.4Å; E310-S314 PolarHBondContact O-N 3.04Å; E310-S314 PolarHBondContact O-OG 3.14Å; S311-S314 PolarHBondContact O-N 3.45Å; I312-S314 VanDerWaalsContact C-N 3.32Å; I312-S314 PolarHBondContact O-N 2.89Å; S314-A317 PolarHBondContact O-N 3.18Å; S314-L318 PolarHBondContact O-N 3.46Å
315G92.6Very high93Very high22 Ų2247.2 Ų47.223%0.22727%0.268CS..Hα-helixtrans-65.5-39.7173.600000113.1S311 I312 I313 A317 L318S311-G315 PolarHBondContact O-N 2.8Å; S311-G315 VanDerWaalsContact O-N 3.11Å; I312-G315 PolarHBondContact O-N 2.89Å; I313-G315 VanDerWaalsContact C-N 3.34Å; I313-G315 PolarHBondContact O-N 3.47Å; G315-A317 VanDerWaalsContact C-N 3.33Å; G315-L318 PolarHBondContact O-N 3.01Å
316A95.5Very high93.1Very high0 Ų049.7 Ų49.70%028%0.277CS..Hα-helixtrans-65.3-35.7173.900000112.5I312 I313 M319 A320 I333 L378 L382I312-A316 PolarHBondContact O-N 3.2Å; I313-A316 PolarHBondContact O-N 3.21Å; A316-M319 PolarHBondContact O-N 3.41Å; A316-A320 PolarHBondContact O-N 2.96Å; A316-I333 HydrophobicContact CB-CG2 4.17Å; A316-L378 HydrophobicContact CB-CD1 4.45Å; A316-L382 HydrophobicContact CB-CD1 4.44Å; A316-L382 HydrophobicContact CB-CD2 3.71Å
317A93.5Very high93Very high35 Ų3551.8 Ų51.829%0.28929%0.29SS..Hα-helixtrans-64.7-42.1177.100000111.8I313 S314 G315 M319 A320 D321I313-A317 WeakPolarHBondContact O-CB 3.48Å; I313-A317 PolarHBondContact O-N 2.95Å; S314-A317 PolarHBondContact O-N 3.18Å; G315-A317 VanDerWaalsContact C-N 3.33Å; A317-M319 PolarHBondContact O-N 3.09Å; A317-A320 PolarHBondContact O-N 3.49Å; A317-D321 WeakPolarHBondContact O-CB 3.35Å; A317-D321 PolarHBondContact O-N 3.24Å
318L91.7Very high92.9Very high130 Ų13047.8 Ų47.868%0.68127%0.273SS*.Hα-helixtrans-55.8-36.9173.6-69.2174.3000112.5S314 G315 S322S314-L318 PolarHBondContact O-N 3.46Å; G315-L318 PolarHBondContact O-N 3.01Å; L318-S322 PolarHBondContact O-N 2.95Å
319M93.4Very high93Very high1 Ų144.2 Ų44.21%0.00526%0.26CS..Hα-helixtrans-75.5-39175.1-173.414259.200112.3A316 A317 T325 L382 A385 V386 L436 I440A316-M319 PolarHBondContact O-N 3.41Å; A317-M319 PolarHBondContact O-N 3.09Å; M319-T325 PolarHBondContact O-OG1 3.29Å; M319-L382 HydrophobicContact CE-CB 3.38Å; M319-L382 HydrophobicContact CE-CD2 3.25Å; M319-L382 HydrophobicContact CE-CG 3.82Å; M319-L382 VanDerWaalsContact CE-O 3.31Å; M319-L382 WeakPolarHBondContact CE-O 3.45Å; M319-A385 HydrophobicContact CE-CB 4.47Å; M319-A385 HydrophobicContact CG-CB 3.99Å; M319-A385 HydrophobicContact SD-CB 4.07Å; M319-V386 HydrophobicContact CE-CG2 4.23Å; M319-V386 HydrophobicContact SD-CG2 3.41Å; M319-V386 WeakPolarHBondContact SD-CG2 3.43Å; M319-L436 HydrophobicContact CB-CD2 4.32Å; M319-L436 HydrophobicContact SD-CB 4.48Å; M319-I440 HydrophobicContact CE-CG2 4Å
320A94.1Very high92.9Very high3 Ų348.1 Ų48.13%0.02527%0.274CS..Hα-helixtrans-67.7-36178.400000112.9A316 A317 R330 I333A316-A320 PolarHBondContact O-N 2.96Å; A317-A320 PolarHBondContact O-N 3.49Å; A320-R330 HydrophobicContact CB-CG 4.15Å; A320-R330 WeakPolarHBondContact O-CD 3.4Å; A320-R330 WeakPolarHBondContact O-CG 3.48Å; A320-I333 HydrophobicContact CB-CB 4.18Å; A320-I333 HydrophobicContact CB-CD1 4.11Å; A320-I333 HydrophobicContact CB-CG2 3.99Å
321D92.9Very high92.8Very high121 Ų12150.7 Ų50.765%0.64729%0.286SS*.SBendtrans-90.9-2.3-176.9-64.5-26.4000113.2A317A317-D321 WeakPolarHBondContact O-CB 3.35Å; A317-D321 PolarHBondContact O-N 3.24Å
322S92.8Very high92.8Very high11 Ų1151.3 Ų51.38%0.07728%0.277CS..SBendtrans-59.8142.3174.9171.20000110.9L318 C324 T325 E432L318-S322 PolarHBondContact O-N 2.95Å; S322-C324 PolarHBondContact O-N 3.21Å; S322-C324 VanDerWaalsContact O-N 3.13Å; S322-C324 PolarHBondContact OG-N 3.23Å; S322-T325 WeakPolarHBondContact O-CB 3.46Å; S322-T325 PolarHBondContact O-N 3.08Å; S322-T325 PolarHBondContact O-OG1 2.89Å; S322-E432 WeakPolarHBondContact CB-OE1 3.25Å; S322-E432 PolarHBondContact OG-OE1 3.11Å
323S89.4Confident92.7Very high94 Ų9451.3 Ų51.366%0.65728%0.277SS*.THydrogen-bonded Turntrans-63.5-17.1178.267.70000114
324C88.1Confident92.7Very high22 Ų2254 Ų5415%0.14929%0.294CS..THydrogen-bonded Turntrans-89.9-8.1177.6-560000112.2S322 H389 V433S322-C324 PolarHBondContact O-N 3.21Å; S322-C324 VanDerWaalsContact O-N 3.13Å; S322-C324 PolarHBondContact OG-N 3.23Å; C324-H389 VanDerWaalsContact C-CD2 3.42Å; C324-H389 PolarHBondContact O-CD2 2.68Å; C324-V433 HydrophobicContact CB-CG2 4.5Å
325T92Very high92.7Very high13 Ų1353 Ų538%0.0829%0.29CS..  trans-81.9127.3-174.3-56.60000111.7M319 S322 R329 R330 H389M319-T325 PolarHBondContact O-OG1 3.29Å; S322-T325 WeakPolarHBondContact O-CB 3.46Å; S322-T325 PolarHBondContact O-N 3.08Å; S322-T325 PolarHBondContact O-OG1 2.89Å; T325-R329 HydrophobicContact CG2-CB 4.24Å; T325-R329 HydrophobicContact CG2-CG 4.29Å; T325-R330 HydrophobicContact CG2-CB 4.25Å; T325-H389 WeakPolarHBondContact CA-NE2 3.48Å; T325-H389 PolarHBondContact N-NE2 3.38Å; T325-H389 PolarHBondContact OG1-CE1 3.11Å; T325-H389 VanDerWaalsContact OG1-CE1 3.27Å; T325-H389 PolarHBondContact OG1-NE2 3.38Å
326R91.7Very high92.9Very high56 Ų5653.3 Ų53.321%0.21129%0.286CS..  trans-65.2143.9174.6-57.6178.956.3138.513.6111.1D328 R329 R330 H518 E521R326-D328 VanDerWaalsContact C-N 3.34Å; R326-D328 WeakPolarHBondContact CB-OD1 3.45Å; R326-D328 IonicContact NE-OD1 3.52Å; R326-D328 PolarHBondContact O-N 3.36Å; R326-R329 HydrophobicContact CB-CB 4.34Å; R326-R329 WeakPolarHBondContact O-CB 3.37Å; R326-R329 PolarHBondContact O-N 3.43Å; R326-R329 VanDerWaalsContact O-N 3.13Å; R326-R330 PolarHBondContact O-N 3.02Å; R326-H518 PolarHBondContact NH1-CD2 2.85Å; R326-H518 PolarHBondContact NH1-NE2 3.26Å; R326-E521 IonicContact CZ-OE1 2.84Å; R326-E521 IonicContact CZ-OE2 3.77Å; R326-E521 IonicContact NH1-OE2 3.28Å; R326-E521 PolarHBondContact NH1-OE2 3.27Å; R326-E521 IonicContact NH2-OE1 3.15Å; R326-E521 PolarHBondContact NH2-OE1 2.82Å; R326-E521 IonicContact NH2-OE2 3.97Å; R326-E521 PolarHBondContact NH2-OE2 3.3Å
327D91.8Very high93Very high101 Ų10153.8 Ų53.854%0.5429%0.289SS..Hα-helixtrans-59.5-42.5-175.5-70.4-31.8000112.8R329 R330 E331D327-R329 VanDerWaalsContact C-N 3.34Å; D327-R329 PolarHBondContact O-N 3.5Å; D327-R330 VanDerWaalsContact CG-NH2 3.33Å; D327-R330 WeakPolarHBondContact O-CB 3.41Å; D327-R330 PolarHBondContact O-N 2.9Å; D327-R330 IonicContact OD1-CZ 3.05Å; D327-R330 IonicContact OD1-NH1 2.61Å; D327-R330 PolarHBondContact OD1-NH1 3.17Å; D327-R330 IonicContact OD1-NH2 3.93Å; D327-R330 PolarHBondContact OD1-NH2 3.39Å; D327-E331 PolarHBondContact O-N 3.5Å; D327-E331 VanDerWaalsContact O-N 3.1Å
328D89.2Confident93.1Very high60 Ų6056.4 Ų56.432%0.32130%0.298SS..Hα-helixtrans-65.2-36.9177.767.4-50.5000112R326 R332R326-D328 VanDerWaalsContact C-N 3.34Å; R326-D328 WeakPolarHBondContact CB-OD1 3.45Å; R326-D328 IonicContact NE-OD1 3.52Å; R326-D328 PolarHBondContact O-N 3.36Å; D328-R332 WeakPolarHBondContact O-CG 3.39Å; D328-R332 PolarHBondContact O-N 2.94Å; D328-R332 IonicContact OD2-CZ 3.19Å; D328-R332 IonicContact OD2-NH1 2.8Å; D328-R332 PolarHBondContact OD2-NH1 2.99Å; D328-R332 IonicContact OD2-NH2 3.99Å; D328-R332 PolarHBondContact OD2-NH2 3.4Å
329R91.4Very high93.3Very high16 Ų1652.1 Ų52.16%0.0628%0.279CS..Hα-helixtrans-68.2-42.1173.7-175.866.466.8-153.6-6.8111.6T325 R326 D327 E331 R332 I333 K384 A385 D388T325-R329 HydrophobicContact CG2-CB 4.24Å; T325-R329 HydrophobicContact CG2-CG 4.29Å; R326-R329 HydrophobicContact CB-CB 4.34Å; R326-R329 WeakPolarHBondContact O-CB 3.37Å; R326-R329 PolarHBondContact O-N 3.43Å; R326-R329 VanDerWaalsContact O-N 3.13Å; D327-R329 VanDerWaalsContact C-N 3.34Å; D327-R329 PolarHBondContact O-N 3.5Å; R329-E331 VanDerWaalsContact C-N 3.33Å; R329-E331 PolarHBondContact O-N 3.37Å; R329-R332 VanDerWaalsContact CZ-NH2 3.3Å; R329-R332 PolarHBondContact O-N 3.17Å; R329-I333 HydrophobicContact CG-CD1 4.07Å; R329-I333 HydrophobicContact CG-CG1 4.47Å; R329-I333 WeakPolarHBondContact O-CG1 3.39Å; R329-I333 PolarHBondContact O-N 3.12Å; R329-K384 VanDerWaalsContact CZ-CB 3.42Å; R329-A385 HydrophobicContact CG-CB 3.6Å; R329-D388 IonicContact CZ-OD1 2.87Å; R329-D388 IonicContact CZ-OD2 3.86Å; R329-D388 VanDerWaalsContact CZ-OD2 3.28Å; R329-D388 IonicContact NE-OD2 3.5Å; R329-D388 PolarHBondContact NE-OD2 3.49Å; R329-D388 IonicContact NH2-OD1 3.21Å; R329-D388 PolarHBondContact NH2-OD1 3.26Å; R329-D388 IonicContact NH2-OD2 3.1Å; R329-D388 PolarHBondContact NH2-OD2 3.4Å
330R94.4Very high93.5Very high84 Ų8452.1 Ų52.132%0.31728%0.279SS..Hα-helixtrans-55.9-48.7176.6-179.4178.962.8-120.4-5.7110.6A320 T325 R326 D327 R332 I333 V334A320-R330 HydrophobicContact CB-CG 4.15Å; A320-R330 WeakPolarHBondContact O-CD 3.4Å; A320-R330 WeakPolarHBondContact O-CG 3.48Å; T325-R330 HydrophobicContact CG2-CB 4.25Å; R326-R330 PolarHBondContact O-N 3.02Å; D327-R330 VanDerWaalsContact CG-NH2 3.33Å; D327-R330 WeakPolarHBondContact O-CB 3.41Å; D327-R330 PolarHBondContact O-N 2.9Å; D327-R330 IonicContact OD1-CZ 3.05Å; D327-R330 IonicContact OD1-NH1 2.61Å; D327-R330 PolarHBondContact OD1-NH1 3.17Å; D327-R330 IonicContact OD1-NH2 3.93Å; D327-R330 PolarHBondContact OD1-NH2 3.39Å; R330-R332 PolarHBondContact O-N 3.41Å; R330-I333 PolarHBondContact O-N 3.08Å; R330-V334 WeakPolarHBondContact O-CG2 3.5Å; R330-V334 PolarHBondContact O-N 3.03Å
331E94.4Very high93.6Very high132 Ų13255.5 Ų55.562%0.61729%0.291SS*.Hα-helixtrans-60.9-42178.3-70.3-177179.700112.6D327 R329 V334 A335D327-E331 PolarHBondContact O-N 3.5Å; D327-E331 VanDerWaalsContact O-N 3.1Å; R329-E331 VanDerWaalsContact C-N 3.33Å; R329-E331 PolarHBondContact O-N 3.37Å; E331-V334 PolarHBondContact O-N 3.02Å; E331-A335 WeakPolarHBondContact O-CB 3.38Å; E331-A335 PolarHBondContact O-N 3.27Å
332R92.8Very high93.8Very high88 Ų8854.6 Ų54.633%0.33228%0.283SS..Hα-helixtrans-62.6-41.8175.6-73.3-171.7-68.1-109.2-5.6112.9D328 R329 R330 A335 E336D328-R332 WeakPolarHBondContact O-CG 3.39Å; D328-R332 PolarHBondContact O-N 2.94Å; D328-R332 IonicContact OD2-CZ 3.19Å; D328-R332 IonicContact OD2-NH1 2.8Å; D328-R332 PolarHBondContact OD2-NH1 2.99Å; D328-R332 IonicContact OD2-NH2 3.99Å; D328-R332 PolarHBondContact OD2-NH2 3.4Å; R329-R332 VanDerWaalsContact CZ-NH2 3.3Å; R329-R332 PolarHBondContact O-N 3.17Å; R330-R332 PolarHBondContact O-N 3.41Å; R332-A335 PolarHBondContact O-N 3.32Å; R332-E336 PolarHBondContact O-N 3.31Å
333I94.6Very high94Very high1 Ų154.2 Ų54.21%0.00528%0.28CS..Hα-helixtrans-64-45.8176.2-64.3166.5000110.1A316 A320 R329 R330 A335 E336 C337 L378 Q381 L382 A385A316-I333 HydrophobicContact CB-CG2 4.17Å; A320-I333 HydrophobicContact CB-CB 4.18Å; A320-I333 HydrophobicContact CB-CD1 4.11Å; A320-I333 HydrophobicContact CB-CG2 3.99Å; R329-I333 HydrophobicContact CG-CD1 4.07Å; R329-I333 HydrophobicContact CG-CG1 4.47Å; R329-I333 WeakPolarHBondContact O-CG1 3.39Å; R329-I333 PolarHBondContact O-N 3.12Å; R330-I333 PolarHBondContact O-N 3.08Å; I333-A335 VanDerWaalsContact C-N 3.33Å; I333-A335 PolarHBondContact O-N 2.98Å; I333-E336 PolarHBondContact O-N 2.86Å; I333-C337 WeakPolarHBondContact O-CB 3.47Å; I333-C337 PolarHBondContact O-N 3.1Å; I333-C337 PolarHBondContact O-SG 2.92Å; I333-C337 VanDerWaalsContact O-SG 3.36Å; I333-L378 HydrophobicContact CG2-CD1 4.42Å; I333-Q381 HydrophobicContact CG1-CB 4.31Å; I333-L382 HydrophobicContact CD1-CD2 4.46Å; I333-L382 HydrophobicContact CG2-CD2 4.16Å; I333-A385 HydrophobicContact CD1-CB 3.87Å
334V95.9Very high94.3Very high72 Ų7249.8 Ų49.844%0.43625%0.249SC..Hα-helixtrans-59.9-43.3178.2171.70000111.2R330 E331 C337 N338R330-V334 WeakPolarHBondContact O-CG2 3.5Å; R330-V334 PolarHBondContact O-N 3.03Å; E331-V334 PolarHBondContact O-N 3.02Å; V334-C337 PolarHBondContact O-N 3.16Å; V334-N338 PolarHBondContact O-N 3.17Å; V334-N338 PolarHBondContact O-ND2 3.35Å
335A95.4Very high94.7Very high50 Ų5051.2 Ų51.241%0.41325%0.254SS..Hα-helixtrans-62.5-41.8176.900000112.6E331 R332 I333 N338 S339E331-A335 WeakPolarHBondContact O-CB 3.38Å; E331-A335 PolarHBondContact O-N 3.27Å; R332-A335 PolarHBondContact O-N 3.32Å; I333-A335 VanDerWaalsContact C-N 3.33Å; I333-A335 PolarHBondContact O-N 2.98Å; A335-N338 PolarHBondContact O-N 2.88Å; A335-S339 WeakPolarHBondContact O-CB 3.24Å; A335-S339 PolarHBondContact O-N 3.43Å; A335-S339 PolarHBondContact O-OG 3.26Å
336E96.4Very high94.8Very high30 Ų3053 Ų5314%0.1426%0.263CS..Hα-helixtrans-71.8-35176.3-72.5-57.1158.400112.6R332 I333 N338 S339 V340 K374 L378 Q381R332-E336 PolarHBondContact O-N 3.31Å; I333-E336 PolarHBondContact O-N 2.86Å; E336-N338 VanDerWaalsContact C-N 3.3Å; E336-N338 PolarHBondContact O-N 2.78Å; E336-S339 PolarHBondContact O-N 3.07Å; E336-V340 WeakPolarHBondContact O-CG1 3.49Å; E336-V340 PolarHBondContact O-N 3.41Å; E336-K374 IonicContact OE1-NZ 2.69Å; E336-K374 PolarHBondContact OE1-NZ 3.1Å; E336-K374 IonicContact OE2-NZ 3.09Å; E336-K374 PolarHBondContact OE2-NZ 3.25Å; E336-L378 HydrophobicContact CB-CB 4.29Å; E336-L378 HydrophobicContact CB-CD1 4.04Å; E336-Q381 HydrophobicContact CG-CG 3.93Å
337C97.1Very high94.7Very high10 Ų1050.3 Ų50.37%0.06825%0.253CS..Hα-helixtrans-58.8-40.5170.7-76.90000111.9I313 I333 V334 V340 R341I313-C337 HydrophobicContact CG1-CB 4.35Å; I313-C337 HydrophobicContact CG2-CB 4.27Å; I333-C337 WeakPolarHBondContact O-CB 3.47Å; I333-C337 PolarHBondContact O-N 3.1Å; I333-C337 PolarHBondContact O-SG 2.92Å; I333-C337 VanDerWaalsContact O-SG 3.36Å; V334-C337 PolarHBondContact O-N 3.16Å; C337-V340 WeakPolarHBondContact O-CG1 3.32Å; C337-R341 WeakPolarHBondContact O-CB 3.05Å; C337-R341 PolarHBondContact O-N 3.21Å
338N95.7Very high94.7Very high89 Ų8945.6 Ų45.648%0.47623%0.227SC..Hα-helixtrans-70.3-39174.6-68.6-29.5000111.9V334 A335 E336 R341 Q342V334-N338 PolarHBondContact O-N 3.17Å; V334-N338 PolarHBondContact O-ND2 3.35Å; A335-N338 PolarHBondContact O-N 2.88Å; E336-N338 VanDerWaalsContact C-N 3.3Å; E336-N338 PolarHBondContact O-N 2.78Å; N338-R341 PolarHBondContact O-N 3.44Å; N338-R341 PolarHBondContact OD1-NH1 3.37Å; N338-R341 VanDerWaalsContact OD1-NH1 3.07Å; N338-Q342 PolarHBondContact O-N 3.26Å
339S96.8Very high94.8Very high40 Ų4046 Ų4628%0.2824%0.235SC..Hα-helixtrans-64.6-42.6178.2-65.10000112.8A335 E336 Q342 A343A335-S339 WeakPolarHBondContact O-CB 3.24Å; A335-S339 PolarHBondContact O-N 3.43Å; A335-S339 PolarHBondContact O-OG 3.26Å; E336-S339 PolarHBondContact O-N 3.07Å; S339-Q342 PolarHBondContact O-N 3.18Å; S339-A343 WeakPolarHBondContact O-CB 3.47Å; S339-A343 PolarHBondContact O-N 2.95Å
340V96.5Very high94.7Very high1 Ų148.6 Ų48.61%0.00625%0.248CC..Hα-helixtrans-68.2-36.5177.174.90000110.9L309 I313 E336 C337 A343 L344 M371 K374 T375 L378L309-V340 HydrophobicContact CD1-CG1 3.89Å; L309-V340 HydrophobicContact CD1-CG2 3.83Å; L309-V340 HydrophobicContact CD2-CG1 4.47Å; I313-V340 HydrophobicContact CD1-CG1 4.33Å; I313-V340 HydrophobicContact CG1-CG1 4.49Å; E336-V340 WeakPolarHBondContact O-CG1 3.49Å; E336-V340 PolarHBondContact O-N 3.41Å; C337-V340 WeakPolarHBondContact O-CG1 3.32Å; V340-A343 PolarHBondContact O-N 2.92Å; V340-L344 PolarHBondContact O-N 3.26Å; V340-M371 HydrophobicContact CB-CE 4.34Å; V340-M371 HydrophobicContact CG2-CE 3.22Å; V340-M371 WeakPolarHBondContact O-CE 3.44Å; V340-K374 HydrophobicContact CB-CB 4.45Å; V340-K374 HydrophobicContact CG2-CB 4.44Å; V340-T375 HydrophobicContact CG2-CG2 3.92Å; V340-L378 HydrophobicContact CG1-CD2 4.12Å
341R97.1Very high94.2Very high74 Ų7444.6 Ų44.628%0.27923%0.233SC..Hα-helixtrans-62.6-45.9174-169.9179.5-69.2112.3-9.1111.6L309 E310 I313 C337 N338 L344 Q345L309-R341 HydrophobicContact CD2-CB 4.47Å; E310-R341 IonicContact OE1-CZ 2.69Å; E310-R341 IonicContact OE1-NE 2.86Å; E310-R341 PolarHBondContact OE1-NE 3.13Å; E310-R341 IonicContact OE1-NH2 3.99Å; E310-R341 PolarHBondContact OE1-NH2 2.98Å; E310-R341 VanDerWaalsContact OE1-NH2 3.13Å; E310-R341 IonicContact OE2-NH2 3.05Å; E310-R341 PolarHBondContact OE2-NH2 3.34Å; I313-R341 HydrophobicContact CD1-CB 4.48Å; I313-R341 VanDerWaalsContact CD1-NH2 3.3Å; C337-R341 WeakPolarHBondContact O-CB 3.05Å; C337-R341 PolarHBondContact O-N 3.21Å; N338-R341 PolarHBondContact O-N 3.44Å; N338-R341 PolarHBondContact OD1-NH1 3.37Å; N338-R341 VanDerWaalsContact OD1-NH1 3.07Å; R341-L344 PolarHBondContact O-N 3.3Å; R341-Q345 WeakPolarHBondContact O-CG 3.19Å; R341-Q345 PolarHBondContact O-N 3.48Å
342Q96.9Very high93.7Very high103 Ų10342.5 Ų42.548%0.48122%0.224SC..Hα-helixtrans-64.1-42.9176.4-173.259.851.900111.8N338 S339 L344 Q345 D346N338-Q342 PolarHBondContact O-N 3.26Å; S339-Q342 PolarHBondContact O-N 3.18Å; Q342-L344 PolarHBondContact O-N 3Å; Q342-Q345 PolarHBondContact O-N 3.21Å; Q342-Q345 VanDerWaalsContact O-N 3.13Å; Q342-D346 PolarHBondContact NE2-OD1 2.92Å; Q342-D346 PolarHBondContact O-N 3.4Å
343A96Very high93.2Very high2 Ų240.9 Ų40.92%0.01724%0.235CC..Hα-helixtrans-60.4-35.1178.200000112.3S339 V340 L347 M371 K374S339-A343 WeakPolarHBondContact O-CB 3.47Å; S339-A343 PolarHBondContact O-N 2.95Å; V340-A343 PolarHBondContact O-N 2.92Å; A343-L347 WeakPolarHBondContact O-CB 3.32Å; A343-L347 PolarHBondContact O-N 3.13Å; A343-M371 HydrophobicContact CB-CE 4.09Å; A343-M371 HydrophobicContact CB-SD 4.07Å; A343-K374 HydrophobicContact CB-CB 4.16Å; A343-K374 HydrophobicContact CB-CG 4.09Å
344L96.2Very high92.3Very high1 Ų141 Ų411%0.00524%0.235CC..Hα-helixtrans-67.6-42.2174.9179.460.9000111.9F285 L305 E306 L309 V340 R341 Q342 D346 L347 L348 M371F285-L344 HydrophobicContact CZ-CD1 4.26Å; F285-L344 HydrophobicContact CZ-CD2 4.44Å; L305-L344 HydrophobicContact CB-CD1 4.15Å; L305-L344 HydrophobicContact CB-CD2 4.42Å; L305-L344 HydrophobicContact CD1-CD1 4.39Å; E306-L344 HydrophobicContact CG-CD2 4.24Å; L309-L344 HydrophobicContact CB-CD2 3.93Å; L309-L344 HydrophobicContact CD2-CB 3.82Å; L309-L344 HydrophobicContact CD2-CD2 3.49Å; L309-L344 VanDerWaalsContact CD2-CD2 3.49Å; L309-L344 HydrophobicContact CD2-CG 4.28Å; L309-L344 HydrophobicContact CG-CD2 4.34Å; V340-L344 PolarHBondContact O-N 3.26Å; R341-L344 PolarHBondContact O-N 3.3Å; Q342-L344 PolarHBondContact O-N 3Å; L344-D346 VanDerWaalsContact C-N 3.33Å; L344-D346 PolarHBondContact O-N 3.16Å; L344-L347 HydrophobicContact CD1-CD2 4.49Å; L344-L347 PolarHBondContact O-N 3.33Å; L344-L348 HydrophobicContact CD1-CD1 4.24Å; L344-L348 HydrophobicContact CD1-CG 4.11Å; L344-L348 HydrophobicContact CG-CD1 3.98Å; L344-L348 HydrophobicContact CG-CG 4.34Å; L344-L348 WeakPolarHBondContact O-CB 3.13Å; L344-L348 VanDerWaalsContact O-CG 3.3Å; L344-L348 WeakPolarHBondContact O-CG 3.11Å; L344-L348 PolarHBondContact O-N 2.97Å; L344-M371 VanDerWaalsContact CA-SD 3.5Å; L344-M371 HydrophobicContact CB-CE 4.46Å; L344-M371 HydrophobicContact CB-SD 3.8Å; L344-M371 HydrophobicContact CD1-SD 4.24Å; L344-M371 PolarHBondContact N-SD 3.46Å; L344-M371 VanDerWaalsContact N-SD 3.42Å
345Q95.6Very high91.1Very high53 Ų5340 Ų4025%0.24824%0.235CC..Hα-helixtrans-64.7-38.9178.3-64-57.5-44.300111.8E306 R341 Q342 S349E306-Q345 PolarHBondContact OE1-NE2 3.12Å; E306-Q345 VanDerWaalsContact OE1-NE2 3.12Å; R341-Q345 WeakPolarHBondContact O-CG 3.19Å; R341-Q345 PolarHBondContact O-N 3.48Å; Q342-Q345 PolarHBondContact O-N 3.21Å; Q342-Q345 VanDerWaalsContact O-N 3.13Å; Q345-S349 PolarHBondContact O-N 3.44Å; Q345-S349 VanDerWaalsContact O-N 3.1Å; Q345-S349 PolarHBondContact O-OG 3.5Å
346D94Very high89.5Confident49 Ų4940.9 Ų40.926%0.26225%0.249SC..Hα-helixtrans-62.8-45173.4-62.5-9.8000110.6Q342 L344 S349 E350 R370Q342-D346 PolarHBondContact NE2-OD1 2.92Å; Q342-D346 PolarHBondContact O-N 3.4Å; L344-D346 VanDerWaalsContact C-N 3.33Å; L344-D346 PolarHBondContact O-N 3.16Å; D346-S349 WeakPolarHBondContact O-CB 3.07Å; D346-S349 PolarHBondContact O-N 3.19Å; D346-E350 PolarHBondContact O-N 2.83Å; D346-E350 VanDerWaalsContact O-N 3.11Å; D346-R370 IonicContact OD2-CZ 3.28Å; D346-R370 IonicContact OD2-NH1 2.98Å; D346-R370 PolarHBondContact OD2-NH1 3.33Å; D346-R370 IonicContact OD2-NH2 3.82Å
347L91.5Very high88.3Confident0 Ų046.8 Ų46.80%027%0.27CS..Hα-helixtrans-62.4-44.5177.8176.563.2000112.9I289 A343 L344 S349 E350 Y351 L364 A367 I368 M371I289-L347 HydrophobicContact CB-CD2 4.06Å; I289-L347 HydrophobicContact CG2-CD2 4.34Å; A343-L347 WeakPolarHBondContact O-CB 3.32Å; A343-L347 PolarHBondContact O-N 3.13Å; L344-L347 HydrophobicContact CD1-CD2 4.49Å; L344-L347 PolarHBondContact O-N 3.33Å; L347-S349 VanDerWaalsContact C-N 3.29Å; L347-S349 PolarHBondContact O-N 2.79Å; L347-E350 PolarHBondContact O-N 3.08Å; L347-Y351 HydrophobicContact CD1-CD2 3.86Å; L347-Y351 HydrophobicContact CD1-CE2 3.57Å; L347-Y351 HydrophobicContact CD2-CE2 4.19Å; L347-Y351 HydrophobicContact CG-CD2 3.89Å; L347-Y351 HydrophobicContact CG-CE2 3.79Å; L347-Y351 WeakPolarHBondContact O-CD2 3.45Å; L347-Y351 PolarHBondContact O-N 3.38Å; L347-L364 HydrophobicContact CD1-CD1 4.01Å; L347-A367 HydrophobicContact CD1-CB 3.96Å; L347-I368 HydrophobicContact CD1-CB 4.47Å; L347-I368 HydrophobicContact CD1-CG1 3.61Å; L347-M371 HydrophobicContact CD2-CB 3.96Å; L347-M371 HydrophobicContact CD2-CG 3.78Å; L347-M371 HydrophobicContact CD2-SD 4.27Å
348L90.6Very high86.5Confident2 Ų255 Ų551%0.0130%0.304CS..Hα-helixtrans-62.2-39.7177.8-73168.4000111.2F296 R302 L305 E306 L344 E350 Y351 M352F296-L348 HydrophobicContact CE2-CD2 4.47Å; F296-L348 HydrophobicContact CZ-CD2 4.49Å; R302-L348 HydrophobicContact CB-CD2 4.15Å; R302-L348 HydrophobicContact CG-CD1 3.97Å; R302-L348 HydrophobicContact CG-CD2 4.39Å; L305-L348 HydrophobicContact CD1-CD2 4.18Å; E306-L348 HydrophobicContact CG-CD1 4.29Å; L344-L348 HydrophobicContact CD1-CD1 4.24Å; L344-L348 HydrophobicContact CD1-CG 4.11Å; L344-L348 HydrophobicContact CG-CD1 3.98Å; L344-L348 HydrophobicContact CG-CG 4.34Å; L344-L348 WeakPolarHBondContact O-CB 3.13Å; L344-L348 VanDerWaalsContact O-CG 3.3Å; L344-L348 WeakPolarHBondContact O-CG 3.11Å; L344-L348 PolarHBondContact O-N 2.97Å; L348-E350 PolarHBondContact O-N 3.42Å; L348-Y351 PolarHBondContact O-N 3.11Å; L348-M352 WeakPolarHBondContact O-CG 3.16Å; L348-M352 PolarHBondContact O-N 2.87Å
349S91.7Very high84.9Confident69 Ų6957.2 Ų57.248%0.48332%0.316SS..Hα-helixtrans-62-42.2176.1-57.80000111.8Q345 D346 L347 M352 G353Q345-S349 PolarHBondContact O-N 3.44Å; Q345-S349 VanDerWaalsContact O-N 3.1Å; Q345-S349 PolarHBondContact O-OG 3.5Å; D346-S349 WeakPolarHBondContact O-CB 3.07Å; D346-S349 PolarHBondContact O-N 3.19Å; L347-S349 VanDerWaalsContact C-N 3.29Å; L347-S349 PolarHBondContact O-N 2.79Å; S349-M352 WeakPolarHBondContact O-CB 3.41Å; S349-M352 PolarHBondContact O-N 2.93Å; S349-G353 PolarHBondContact O-N 2.98Å
350E88.4Confident83.7Confident71 Ų7158.6 Ų58.633%0.33232%0.317SS..Hα-helixtrans-68.2-35.4175.7-69.7-60.3149.300112.8D346 L347 L348 G353 N354 A363 L364 A367D346-E350 PolarHBondContact O-N 2.83Å; D346-E350 VanDerWaalsContact O-N 3.11Å; L347-E350 PolarHBondContact O-N 3.08Å; L348-E350 PolarHBondContact O-N 3.42Å; E350-G353 PolarHBondContact O-N 2.97Å; E350-N354 WeakPolarHBondContact O-CB 3.49Å; E350-N354 PolarHBondContact O-N 2.98Å; E350-A363 WeakPolarHBondContact OE2-CB 3.32Å; E350-L364 HydrophobicContact CB-CB 4.5Å; E350-L364 HydrophobicContact CB-CD1 3.97Å; E350-A367 HydrophobicContact CB-CB 4.2Å; E350-A367 HydrophobicContact CG-CB 3.88Å
351Y83.8Confident82.7Confident0 Ų060 Ų600%033%0.327CS..Hα-helixtrans-64.6-38.7172.7-89.6-64.9000112.3I289 L291 F296 L347 L348 N354 A355 L364I289-Y351 PolarHBondContact O-OH 3.49Å; L291-Y351 HydrophobicContact CB-CE1 3.93Å; L291-Y351 PolarHBondContact N-OH 3.04Å; F296-Y351 HydrophobicContact CB-CD1 4.47Å; F296-Y351 HydrophobicContact CD2-CD1 4.15Å; F296-Y351 HydrophobicContact CD2-CG 4.06Å; F296-Y351 HydrophobicContact CE2-CG 4.15Å; F296-Y351 HydrophobicContact CG-CD1 4.26Å; F296-Y351 HydrophobicContact CG-CG 4.42Å; L347-Y351 HydrophobicContact CD1-CD2 3.86Å; L347-Y351 HydrophobicContact CD1-CE2 3.57Å; L347-Y351 HydrophobicContact CD2-CE2 4.19Å; L347-Y351 HydrophobicContact CG-CD2 3.89Å; L347-Y351 HydrophobicContact CG-CE2 3.79Å; L347-Y351 WeakPolarHBondContact O-CD2 3.45Å; L347-Y351 PolarHBondContact O-N 3.38Å; L348-Y351 PolarHBondContact O-N 3.11Å; Y351-N354 CarbonylContact O-C 3.09Å; Y351-N354 PolarHBondContact O-N 3.24Å; Y351-A355 PolarHBondContact O-N 3.41Å; Y351-L364 HydrophobicContact CD1-CD1 3.88Å; Y351-L364 HydrophobicContact CD1-CD2 4.04Å; Y351-L364 HydrophobicContact CD2-CD1 3.92Å; Y351-L364 HydrophobicContact CE1-CD1 3.91Å; Y351-L364 HydrophobicContact CE1-CD2 3.89Å; Y351-L364 HydrophobicContact CE1-CG 4.44Å; Y351-L364 HydrophobicContact CE2-CD1 3.98Å; Y351-L364 HydrophobicContact CG-CD1 3.87Å
352M84.1Confident81.7Confident87 Ų8763 Ų6343%0.42935%0.349SS..Hα-helixtrans-63-44.3173.1-68.4174.668.200111.3F296 E298 L348 S349 N354 A355F296-M352 HydrophobicContact CE1-CG 4.29Å; E298-M352 WeakPolarHBondContact OE2-CE 3.36Å; L348-M352 WeakPolarHBondContact O-CG 3.16Å; L348-M352 PolarHBondContact O-N 2.87Å; S349-M352 WeakPolarHBondContact O-CB 3.41Å; S349-M352 PolarHBondContact O-N 2.93Å; M352-N354 PolarHBondContact O-N 3.06Å; M352-A355 WeakPolarHBondContact O-CB 3.5Å; M352-A355 PolarHBondContact O-N 3.17Å
353G82.2Confident80.9Confident55 Ų5560.3 Ų60.357%0.56734%0.344SS*.Hα-helixtrans-64.6-25176.800000114.1S349 E350S349-G353 PolarHBondContact O-N 2.98Å; E350-G353 PolarHBondContact O-N 2.97Å
354N77.2Confident80Confident2 Ų260.2 Ų60.21%0.01134%0.343CS..THydrogen-bonded Turntrans-103.77.9-180-152.157000113.8P293 E350 Y351 M352 R357 D359 L364P293-N354 WeakPolarHBondContact CB-ND2 3.48Å; E350-N354 WeakPolarHBondContact O-CB 3.49Å; E350-N354 PolarHBondContact O-N 2.98Å; Y351-N354 CarbonylContact O-C 3.09Å; Y351-N354 PolarHBondContact O-N 3.24Å; M352-N354 PolarHBondContact O-N 3.06Å; N354-R357 PolarHBondContact O-N 3.05Å; N354-R357 WeakPolarHBondContact OD1-CD 3.17Å; N354-D359 PolarHBondContact ND2-O 3.47Å; N354-L364 HydrophobicContact CB-CD2 4.05Å
355A70.1Confident79.1Confident53 Ų5363 Ų6344%0.43836%0.358SS..THydrogen-bonded Turntrans-62.2134.1-177.700000112.1Y351 M352 R357Y351-A355 PolarHBondContact O-N 3.41Å; M352-A355 WeakPolarHBondContact O-CB 3.5Å; M352-A355 PolarHBondContact O-N 3.17Å; A355-R357 PolarHBondContact O-N 3.06Å
356G62.3Low78.4Confident67 Ų6764.9 Ų64.969%0.69137%0.373SS*.THydrogen-bonded Turntrans77.5-0.9179.400000115.4
357R69.5Low77.9Confident155 Ų15563.1 Ų63.159%0.58537%0.366SS*.  trans-88138.9172.6-63.1-175.7-179.1-170.62.9110.8V294 N354 A355V294-R357 VanDerWaalsContact CG2-O 3.25Å; V294-R357 WeakPolarHBondContact CG2-O 3.15Å; N354-R357 PolarHBondContact O-N 3.05Å; N354-R357 WeakPolarHBondContact OD1-CD 3.17Å; A355-R357 PolarHBondContact O-N 3.06Å
358K59.4Low77.3Confident181 Ų18163.7 Ų63.779%0.78737%0.369SS*.SBendtrans-70-33.1178.2-98.2-174.8174.7-178.20113.6V294V294-K358 HydrophobicContact CG2-CB 4.47Å; V294-K358 HydrophobicContact CG2-CG 4.06Å
359D63.9Low76.8Confident136 Ų13667.9 Ų67.973%0.72739%0.391SS*.SBendtrans-106.1146.2-176.7-60.1-43.2000111.1N354N354-D359 PolarHBondContact ND2-O 3.47Å
360K70.9Confident76.5Confident69 Ų6970.7 Ų70.730%0.339%0.391SS..  trans-74.1129.5174.1-65.9-176.4179-166.80109.5L291 P293 L364L291-K360 VanDerWaalsContact O-CE 3.25Å; L291-K360 WeakPolarHBondContact O-CE 3.41Å; L291-K360 PolarHBondContact O-NZ 3.45Å; L291-K360 VanDerWaalsContact O-NZ 3.13Å; P293-K360 HydrophobicContact CG-CG 3.62Å; K360-L364 HydrophobicContact CB-CD2 4.25Å; K360-L364 HydrophobicContact CG-CD2 4.13Å
361S75.3Confident76.7Confident32 Ų3267.3 Ų67.322%0.22438%0.376CS..  trans-67.9155.8171.467.50000111.1A363 L364 N365S361-A363 PolarHBondContact O-N 3.27Å; S361-L364 PolarHBondContact O-N 3.47Å; S361-L364 VanDerWaalsContact OG-CB 3.26Å; S361-L364 WeakPolarHBondContact OG-CB 3.44Å; S361-L364 PolarHBondContact OG-N 3.4Å; S361-N365 PolarHBondContact O-N 3.41Å; S361-N365 PolarHBondContact O-ND2 3.18Å
362D76.7Confident76.6Confident136 Ų13670 Ų7073%0.72739%0.392SS*.Hα-helixtrans-62.1-33173.8-66.6-34000111.9N365 T366D362-N365 PolarHBondContact O-N 3.46Å; D362-T366 WeakPolarHBondContact O-CB 3.39Å; D362-T366 PolarHBondContact O-N 3.06Å; D362-T366 PolarHBondContact O-OG1 3.07Å
363A78.9Confident76.7Confident47 Ų4771.5 Ų71.539%0.38840%0.396SS..Hα-helixtrans-63.7-44173.500000111.9E350 S361 T366 A367E350-A363 WeakPolarHBondContact OE2-CB 3.32Å; S361-A363 PolarHBondContact O-N 3.27Å; A363-T366 PolarHBondContact O-N 3.01Å; A363-A367 PolarHBondContact O-N 3.41Å
364L78.6Confident77.1Confident0 Ų070.9 Ų70.90%038%0.378CS..Hα-helixtrans-64.4-42.6175.3178.361.8000111.7P293 L347 E350 Y351 N354 K360 S361 T366 A367 I368P293-L364 HydrophobicContact CG-CD2 3.89Å; L347-L364 HydrophobicContact CD1-CD1 4.01Å; E350-L364 HydrophobicContact CB-CB 4.5Å; E350-L364 HydrophobicContact CB-CD1 3.97Å; Y351-L364 HydrophobicContact CD1-CD1 3.88Å; Y351-L364 HydrophobicContact CD1-CD2 4.04Å; Y351-L364 HydrophobicContact CD2-CD1 3.92Å; Y351-L364 HydrophobicContact CE1-CD1 3.91Å; Y351-L364 HydrophobicContact CE1-CD2 3.89Å; Y351-L364 HydrophobicContact CE1-CG 4.44Å; Y351-L364 HydrophobicContact CE2-CD1 3.98Å; Y351-L364 HydrophobicContact CG-CD1 3.87Å; N354-L364 HydrophobicContact CB-CD2 4.05Å; K360-L364 HydrophobicContact CB-CD2 4.25Å; K360-L364 HydrophobicContact CG-CD2 4.13Å; S361-L364 PolarHBondContact O-N 3.47Å; S361-L364 VanDerWaalsContact OG-CB 3.26Å; S361-L364 WeakPolarHBondContact OG-CB 3.44Å; S361-L364 PolarHBondContact OG-N 3.4Å; L364-T366 VanDerWaalsContact C-N 3.32Å; L364-T366 PolarHBondContact O-N 3.38Å; L364-A367 PolarHBondContact O-N 3.44Å; L364-I368 HydrophobicContact CD1-CD1 4.3Å; L364-I368 HydrophobicContact CD1-CG1 4.4Å; L364-I368 HydrophobicContact CG-CD1 4.06Å; L364-I368 VanDerWaalsContact O-CG1 3.26Å; L364-I368 WeakPolarHBondContact O-CG1 3.48Å; L364-I368 PolarHBondContact O-N 2.97Å
365N76.9Confident77.6Confident58 Ų5870.8 Ų70.831%0.3138%0.377SS..Hα-helixtrans-61.6-42.4175.5-69.7-38.6000111.2S361 D362 A367 I368 D369S361-N365 PolarHBondContact O-N 3.41Å; S361-N365 PolarHBondContact O-ND2 3.18Å; D362-N365 PolarHBondContact O-N 3.46Å; N365-A367 VanDerWaalsContact C-N 3.34Å; N365-A367 PolarHBondContact O-N 3.5Å; N365-I368 PolarHBondContact O-N 3.07Å; N365-D369 VanDerWaalsContact O-CG 3.29Å; N365-D369 PolarHBondContact O-N 3.29Å
366T81.2Confident78.4Confident93 Ų9373.4 Ų73.457%0.57138%0.376SS*.Hα-helixtrans-63.5-39.2176.6-54.20000112D362 A363 L364 D369 R370D362-T366 WeakPolarHBondContact O-CB 3.39Å; D362-T366 PolarHBondContact O-N 3.06Å; D362-T366 PolarHBondContact O-OG1 3.07Å; A363-T366 PolarHBondContact O-N 3.01Å; L364-T366 VanDerWaalsContact C-N 3.32Å; L364-T366 PolarHBondContact O-N 3.38Å; T366-D369 PolarHBondContact O-N 3.31Å; T366-R370 WeakPolarHBondContact O-CB 3.16Å; T366-R370 PolarHBondContact O-N 2.94Å
367A82.7Confident79.5Confident13 Ų1370.7 Ų70.711%0.10735%0.346CS..Hα-helixtrans-68.2-38.3176.100000112.3L347 E350 A363 L364 N365 R370 M371L347-A367 HydrophobicContact CD1-CB 3.96Å; E350-A367 HydrophobicContact CB-CB 4.2Å; E350-A367 HydrophobicContact CG-CB 3.88Å; A363-A367 PolarHBondContact O-N 3.41Å; L364-A367 PolarHBondContact O-N 3.44Å; N365-A367 VanDerWaalsContact C-N 3.34Å; N365-A367 PolarHBondContact O-N 3.5Å; A367-R370 PolarHBondContact O-N 3.41Å; A367-M371 WeakPolarHBondContact O-CB 3.5Å; A367-M371 PolarHBondContact O-N 3.11Å
368I80Confident80.6Confident11 Ų1163.3 Ų63.36%0.05632%0.318CS..Hα-helixtrans-61.1-48.2172.1-68.8166.2000109.8I290 L347 L364 N365 R370 M371 T372I290-I368 HydrophobicContact CG1-CG2 4.06Å; L347-I368 HydrophobicContact CD1-CB 4.47Å; L347-I368 HydrophobicContact CD1-CG1 3.61Å; L364-I368 HydrophobicContact CD1-CD1 4.3Å; L364-I368 HydrophobicContact CD1-CG1 4.4Å; L364-I368 HydrophobicContact CG-CD1 4.06Å; L364-I368 VanDerWaalsContact O-CG1 3.26Å; L364-I368 WeakPolarHBondContact O-CG1 3.48Å; L364-I368 PolarHBondContact O-N 2.97Å; N365-I368 PolarHBondContact O-N 3.07Å; I368-R370 VanDerWaalsContact C-N 3.32Å; I368-R370 PolarHBondContact O-N 3.39Å; I368-M371 WeakPolarHBondContact O-CB 3.3Å; I368-M371 PolarHBondContact O-N 2.68Å; I368-T372 PolarHBondContact O-N 2.86Å; I368-T372 PolarHBondContact O-OG1 2.91Å
369D79.3Confident82.1Confident91 Ų9156.7 Ų56.749%0.48729%0.288SS..Hα-helixtrans-60-42.8178.7-71-19.2000111.6N365 T366 T372 K373N365-D369 VanDerWaalsContact O-CG 3.29Å; N365-D369 PolarHBondContact O-N 3.29Å; T366-D369 PolarHBondContact O-N 3.31Å; D369-T372 PolarHBondContact O-N 3.41Å; D369-K373 WeakPolarHBondContact O-CB 3.34Å; D369-K373 PolarHBondContact O-N 3.4Å
370R84.7Confident83Confident128 Ų12852.9 Ų52.948%0.48326%0.263SS..Hα-helixtrans-63.7-41.8176-173.2176.9179.1-156.4-7.3112D346 T366 A367 I368 K373 K374D346-R370 IonicContact OD2-CZ 3.28Å; D346-R370 IonicContact OD2-NH1 2.98Å; D346-R370 PolarHBondContact OD2-NH1 3.33Å; D346-R370 IonicContact OD2-NH2 3.82Å; T366-R370 WeakPolarHBondContact O-CB 3.16Å; T366-R370 PolarHBondContact O-N 2.94Å; A367-R370 PolarHBondContact O-N 3.41Å; I368-R370 VanDerWaalsContact C-N 3.32Å; I368-R370 PolarHBondContact O-N 3.39Å; R370-K373 PolarHBondContact O-N 2.98Å; R370-K374 PolarHBondContact O-N 3.08Å
371M92.8Very high83.9Confident0 Ų050.3 Ų50.30%025%0.252CS..Hα-helixtrans-61.9-49.4176.1-174.876.6-107.400111F285 I289 V340 A343 L344 L347 A367 I368 K373 K374 T375F285-M371 HydrophobicContact CE1-CE 3.93Å; F285-M371 HydrophobicContact CE1-CG 4.43Å; F285-M371 HydrophobicContact CE1-SD 4.35Å; F285-M371 HydrophobicContact CZ-CE 4.37Å; I289-M371 HydrophobicContact CB-CG 4.44Å; I289-M371 HydrophobicContact CD1-CB 4.1Å; I289-M371 HydrophobicContact CD1-CG 3.6Å; I289-M371 HydrophobicContact CG2-CG 4.14Å; V340-M371 HydrophobicContact CB-CE 4.34Å; V340-M371 HydrophobicContact CG2-CE 3.22Å; V340-M371 WeakPolarHBondContact O-CE 3.44Å; A343-M371 HydrophobicContact CB-CE 4.09Å; A343-M371 HydrophobicContact CB-SD 4.07Å; L344-M371 VanDerWaalsContact CA-SD 3.5Å; L344-M371 HydrophobicContact CB-CE 4.46Å; L344-M371 HydrophobicContact CB-SD 3.8Å; L344-M371 HydrophobicContact CD1-SD 4.24Å; L344-M371 PolarHBondContact N-SD 3.46Å; L344-M371 VanDerWaalsContact N-SD 3.42Å; L347-M371 HydrophobicContact CD2-CB 3.96Å; L347-M371 HydrophobicContact CD2-CG 3.78Å; L347-M371 HydrophobicContact CD2-SD 4.27Å; A367-M371 WeakPolarHBondContact O-CB 3.5Å; A367-M371 PolarHBondContact O-N 3.11Å; I368-M371 WeakPolarHBondContact O-CB 3.3Å; I368-M371 PolarHBondContact O-N 2.68Å; M371-K373 VanDerWaalsContact C-N 3.31Å; M371-K373 PolarHBondContact O-N 3.13Å; M371-K374 PolarHBondContact O-N 2.83Å; M371-K374 VanDerWaalsContact O-N 3.14Å; M371-T375 HydrophobicContact CE-CG2 3.77Å; M371-T375 PolarHBondContact O-N 3.11Å; M371-T375 PolarHBondContact O-OG1 3.13Å
372T82.9Confident84.7Confident56 Ų5648.8 Ų48.834%0.34424%0.242SC..Hα-helixtrans-62.4-36.9177.3-59.50000112.2I368 D369 T375 R376I368-T372 PolarHBondContact O-N 2.86Å; I368-T372 PolarHBondContact O-OG1 2.91Å; D369-T372 PolarHBondContact O-N 3.41Å; T372-T375 PolarHBondContact O-OG1 2.95Å; T372-R376 WeakPolarHBondContact O-CB 3.22Å; T372-R376 PolarHBondContact O-N 3.28Å
373K84.4Confident85.3Confident119 Ų11944.7 Ų44.752%0.51722%0.216SC..Hα-helixtrans-62.9-45.5172.9-176.5177176.6178.20111.1D369 R370 M371 R376 D377D369-K373 WeakPolarHBondContact O-CB 3.34Å; D369-K373 PolarHBondContact O-N 3.4Å; R370-K373 PolarHBondContact O-N 2.98Å; M371-K373 VanDerWaalsContact C-N 3.31Å; M371-K373 PolarHBondContact O-N 3.13Å; K373-R376 WeakPolarHBondContact O-CB 3.39Å; K373-R376 PolarHBondContact O-N 2.85Å; K373-D377 VanDerWaalsContact O-CG 3.31Å; K373-D377 PolarHBondContact O-N 3.15Å
374K92.3Very high85.6Confident41 Ų4143 Ų4318%0.17820%0.2CC..Hα-helixtrans-69.9-33.4-178.4-75.9-50.2-165.2175.10114.6E336 V340 A343 R370 M371 R376 D377 L378E336-K374 IonicContact OE1-NZ 2.69Å; E336-K374 PolarHBondContact OE1-NZ 3.1Å; E336-K374 IonicContact OE2-NZ 3.09Å; E336-K374 PolarHBondContact OE2-NZ 3.25Å; V340-K374 HydrophobicContact CB-CB 4.45Å; V340-K374 HydrophobicContact CG2-CB 4.44Å; A343-K374 HydrophobicContact CB-CB 4.16Å; A343-K374 HydrophobicContact CB-CG 4.09Å; R370-K374 PolarHBondContact O-N 3.08Å; M371-K374 PolarHBondContact O-N 2.83Å; M371-K374 VanDerWaalsContact O-N 3.14Å; K374-R376 VanDerWaalsContact C-N 3.31Å; K374-D377 HydrophobicContact CD-CB 4.47Å; K374-D377 IonicContact NZ-OD2 3.21Å; K374-D377 PolarHBondContact NZ-OD2 3Å; K374-D377 PolarHBondContact O-N 3.22Å; K374-L378 PolarHBondContact O-N 3.42Å; K374-L378 VanDerWaalsContact O-N 3.09Å
375T87.6Confident86.3Confident1 Ų143 Ų431%0.00620%0.2CC..Hα-helixtrans-66.5-35.4170.255.50000111.7F285 D286 V340 M371 T372 R379F285-T375 HydrophobicContact CD1-CG2 3.77Å; F285-T375 HydrophobicContact CE1-CG2 3.75Å; D286-T375 VanDerWaalsContact OD1-CB 3.23Å; D286-T375 WeakPolarHBondContact OD1-CB 3.41Å; D286-T375 PolarHBondContact OD1-OG1 3.02Å; V340-T375 HydrophobicContact CG2-CG2 3.92Å; M371-T375 HydrophobicContact CE-CG2 3.77Å; M371-T375 PolarHBondContact O-N 3.11Å; M371-T375 PolarHBondContact O-OG1 3.13Å; T372-T375 PolarHBondContact O-OG1 2.95Å; T375-R379 WeakPolarHBondContact O-CB 3.16Å; T375-R379 PolarHBondContact O-N 3.48Å
376R86.8Confident87.1Confident107 Ų10740.2 Ų40.240%0.40419%0.185SC..Hα-helixtrans-66.6-44.8173-173.5177.567.6163.38.5112.6T372 K373 K374 L378 R379 R380T372-R376 WeakPolarHBondContact O-CB 3.22Å; T372-R376 PolarHBondContact O-N 3.28Å; K373-R376 WeakPolarHBondContact O-CB 3.39Å; K373-R376 PolarHBondContact O-N 2.85Å; K374-R376 VanDerWaalsContact C-N 3.31Å; R376-L378 PolarHBondContact O-N 3.05Å; R376-R379 WeakPolarHBondContact O-CB 3.22Å; R376-R379 PolarHBondContact O-N 2.84Å; R376-R380 PolarHBondContact O-N 3.29Å
377D84.3Confident87.5Confident11 Ų1136 Ų366%0.05916%0.159CC..Hα-helixtrans-60.1-45.5178.2-67.7-13.3000111.1K373 K374 R380 Q381K373-D377 VanDerWaalsContact O-CG 3.31Å; K373-D377 PolarHBondContact O-N 3.15Å; K374-D377 HydrophobicContact CD-CB 4.47Å; K374-D377 IonicContact NZ-OD2 3.21Å; K374-D377 PolarHBondContact NZ-OD2 3Å; K374-D377 PolarHBondContact O-N 3.22Å; D377-R380 WeakPolarHBondContact O-CB 3.24Å; D377-R380 PolarHBondContact O-N 2.88Å; D377-R380 IonicContact OD1-NH2 2.88Å; D377-Q381 PolarHBondContact O-N 3.3Å
378L93.3Very high88Confident0 Ų035.6 Ų35.60%016%0.155CC..Hα-helixtrans-59.9-50.3173.4177.160.7000111.1I312 A316 I333 E336 V340 K374 R376 R380 Q381 L382I312-L378 HydrophobicContact CG2-CD2 3.99Å; A316-L378 HydrophobicContact CB-CD1 4.45Å; I333-L378 HydrophobicContact CG2-CD1 4.42Å; E336-L378 HydrophobicContact CB-CB 4.29Å; E336-L378 HydrophobicContact CB-CD1 4.04Å; V340-L378 HydrophobicContact CG1-CD2 4.12Å; K374-L378 PolarHBondContact O-N 3.42Å; K374-L378 VanDerWaalsContact O-N 3.09Å; R376-L378 PolarHBondContact O-N 3.05Å; L378-R380 PolarHBondContact O-N 3.33Å; L378-Q381 PolarHBondContact O-N 3.13Å; L378-Q381 VanDerWaalsContact O-N 3.11Å; L378-L382 HydrophobicContact CD1-CD1 4.22Å; L378-L382 HydrophobicContact CD1-CD2 4.41Å; L378-L382 HydrophobicContact CD1-CG 4.13Å; L378-L382 HydrophobicContact CG-CD1 3.96Å; L378-L382 HydrophobicContact CG-CG 4.33Å; L378-L382 VanDerWaalsContact O-CG 3.25Å; L378-L382 WeakPolarHBondContact O-CG 3.48Å; L378-L382 PolarHBondContact O-N 3.2Å
379R90.7Very high88.6Confident42 Ų4235.1 Ų35.116%0.15815%0.153CC..Hα-helixtrans-54-39.7177.3-173.3-173.5-76.1115.7-11.2111.7L282 N283 D286 T375 R376 L382 R383L282-R379 HydrophobicContact CD1-CB 4.24Å; L282-R379 HydrophobicContact CD1-CG 4.22Å; N283-R379 PolarHBondContact OD1-NH2 2.93Å; D286-R379 IonicContact OD2-CZ 2.63Å; D286-R379 IonicContact OD2-NH1 3.21Å; D286-R379 PolarHBondContact OD2-NH1 3.36Å; D286-R379 IonicContact OD2-NH2 3.83Å; D286-R379 PolarHBondContact OD2-NH2 3.43Å; T375-R379 WeakPolarHBondContact O-CB 3.16Å; T375-R379 PolarHBondContact O-N 3.48Å; R376-R379 WeakPolarHBondContact O-CB 3.22Å; R376-R379 PolarHBondContact O-N 2.84Å; R379-L382 PolarHBondContact O-N 3.45Å; R379-R383 WeakPolarHBondContact O-CG 3.48Å; R379-R383 PolarHBondContact O-N 3.28Å
380R83.6Confident89.2Confident56 Ų5630.8 Ų30.821%0.21113%0.129CC..Hα-helixtrans-66.5-46177-175.9178.965.5-170.23.4112.3R376 D377 L378 L382 R383 K384 D639R376-R380 PolarHBondContact O-N 3.29Å; D377-R380 WeakPolarHBondContact O-CB 3.24Å; D377-R380 PolarHBondContact O-N 2.88Å; D377-R380 IonicContact OD1-NH2 2.88Å; L378-R380 PolarHBondContact O-N 3.33Å; R380-L382 VanDerWaalsContact C-N 3.26Å; R380-L382 PolarHBondContact O-N 3.47Å; R380-R383 PolarHBondContact O-N 2.99Å; R380-K384 PolarHBondContact O-N 2.93Å; R380-D639 WeakPolarHBondContact CD-O 3.28Å
381Q88.3Confident89.4Confident14 Ų1424.7 Ų24.77%0.06511%0.107CC..Hα-helixtrans-61.5-37.5175.8-69.9-58.8-24.500111.9I333 E336 D377 L378 K384 A385I333-Q381 HydrophobicContact CG1-CB 4.31Å; E336-Q381 HydrophobicContact CG-CG 3.93Å; D377-Q381 PolarHBondContact O-N 3.3Å; L378-Q381 PolarHBondContact O-N 3.13Å; L378-Q381 VanDerWaalsContact O-N 3.11Å; Q381-K384 PolarHBondContact O-N 3.19Å; Q381-A385 WeakPolarHBondContact O-CB 3.39Å; Q381-A385 PolarHBondContact O-N 2.91Å
382L93.1Very high89.3Confident0 Ų027.6 Ų27.60%012%0.122CC..Hα-helixtrans-64.3-42.8175.3-66.1173000112L278 L282 A316 M319 I333 L378 R379 R380 A385 V386 I440L278-L382 HydrophobicContact CD2-CD1 3.82Å; L278-L382 HydrophobicContact CG-CD1 4.4Å; L282-L382 HydrophobicContact CD1-CD1 4.09Å; A316-L382 HydrophobicContact CB-CD1 4.44Å; A316-L382 HydrophobicContact CB-CD2 3.71Å; M319-L382 HydrophobicContact CE-CB 3.38Å; M319-L382 HydrophobicContact CE-CD2 3.25Å; M319-L382 HydrophobicContact CE-CG 3.82Å; M319-L382 VanDerWaalsContact CE-O 3.31Å; M319-L382 WeakPolarHBondContact CE-O 3.45Å; I333-L382 HydrophobicContact CD1-CD2 4.46Å; I333-L382 HydrophobicContact CG2-CD2 4.16Å; L378-L382 HydrophobicContact CD1-CD1 4.22Å; L378-L382 HydrophobicContact CD1-CD2 4.41Å; L378-L382 HydrophobicContact CD1-CG 4.13Å; L378-L382 HydrophobicContact CG-CD1 3.96Å; L378-L382 HydrophobicContact CG-CG 4.33Å; L378-L382 VanDerWaalsContact O-CG 3.25Å; L378-L382 WeakPolarHBondContact O-CG 3.48Å; L378-L382 PolarHBondContact O-N 3.2Å; R379-L382 PolarHBondContact O-N 3.45Å; R380-L382 VanDerWaalsContact C-N 3.26Å; R380-L382 PolarHBondContact O-N 3.47Å; L382-A385 WeakPolarHBondContact O-CB 3.44Å; L382-A385 PolarHBondContact O-N 3.11Å; L382-V386 PolarHBondContact O-N 2.84Å; L382-I440 HydrophobicContact CB-CG2 4.31Å
383R88.3Confident89.6Confident50 Ų5025.7 Ų25.719%0.18911%0.111CC..Hα-helixtrans-60.6-46.6173.8-71.9-162.9-54-95.33.9112.3R379 R380 A385 V386 M387 I440 D510 D639R379-R383 WeakPolarHBondContact O-CG 3.48Å; R379-R383 PolarHBondContact O-N 3.28Å; R380-R383 PolarHBondContact O-N 2.99Å; R383-A385 VanDerWaalsContact C-N 3.31Å; R383-A385 PolarHBondContact O-N 3.4Å; R383-V386 PolarHBondContact O-N 3.42Å; R383-M387 PolarHBondContact O-N 3.46Å; R383-I440 HydrophobicContact CB-CD1 4.38Å; R383-I440 HydrophobicContact CG-CD1 4.05Å; R383-D510 WeakPolarHBondContact CD-OD2 3.35Å; R383-D510 IonicContact NE-OD2 3.19Å; R383-D510 PolarHBondContact NE-OD2 2.94Å; R383-D639 IonicContact CZ-OD2 3.94Å; R383-D639 VanDerWaalsContact NH2-CG 3.32Å; R383-D639 IonicContact NH2-OD2 2.65Å; R383-D639 PolarHBondContact NH2-OD2 3.25Å
384K86.9Confident89.7Confident11 Ų1120.4 Ų20.45%0.0489%0.088CC..Hα-helixtrans-63.1-37177.8-67.2-171.8177.4-166.40112.2R329 R380 Q381 V386 M387 D388 D641R329-K384 VanDerWaalsContact CZ-CB 3.42Å; R380-K384 PolarHBondContact O-N 2.93Å; Q381-K384 PolarHBondContact O-N 3.19Å; K384-V386 PolarHBondContact O-N 3.27Å; K384-M387 PolarHBondContact O-N 2.92Å; K384-M387 VanDerWaalsContact O-N 3.12Å; K384-D388 VanDerWaalsContact O-CG 3.22Å; K384-D388 PolarHBondContact O-N 3.18Å; K384-D641 IonicContact NZ-OD1 2.83Å; K384-D641 PolarHBondContact NZ-OD1 2.95Å; K384-D641 IonicContact NZ-OD2 3.04Å; K384-D641 PolarHBondContact NZ-OD2 3.34Å
385A92.5Very high89.3Confident1 Ų120.1 Ų20.11%0.0089%0.088CC..Hα-helixtrans-60.7-43.5175.200000112.5M319 R329 I333 Q381 L382 R383 M387 D388 H389M319-A385 HydrophobicContact CE-CB 4.47Å; M319-A385 HydrophobicContact CG-CB 3.99Å; M319-A385 HydrophobicContact SD-CB 4.07Å; R329-A385 HydrophobicContact CG-CB 3.6Å; I333-A385 HydrophobicContact CD1-CB 3.87Å; Q381-A385 WeakPolarHBondContact O-CB 3.39Å; Q381-A385 PolarHBondContact O-N 2.91Å; L382-A385 WeakPolarHBondContact O-CB 3.44Å; L382-A385 PolarHBondContact O-N 3.11Å; R383-A385 VanDerWaalsContact C-N 3.31Å; R383-A385 PolarHBondContact O-N 3.4Å; A385-M387 VanDerWaalsContact C-N 3.31Å; A385-M387 PolarHBondContact O-N 2.86Å; A385-D388 WeakPolarHBondContact O-CB 3.36Å; A385-D388 PolarHBondContact O-N 2.74Å; A385-H389 VanDerWaalsContact O-CG 3.31Å; A385-H389 PolarHBondContact O-N 2.9Å
386V93.5Very high89.1Confident0 Ų024.8 Ų24.80%011%0.11CC..Hα-helixtrans-61.6-39.7172.5169.90000111.4M319 L382 R383 K384 H389 V390 L436 A437 I440 T506M319-V386 HydrophobicContact CE-CG2 4.23Å; M319-V386 HydrophobicContact SD-CG2 3.41Å; M319-V386 WeakPolarHBondContact SD-CG2 3.43Å; L382-V386 PolarHBondContact O-N 2.84Å; R383-V386 PolarHBondContact O-N 3.42Å; K384-V386 PolarHBondContact O-N 3.27Å; V386-H389 WeakPolarHBondContact O-CB 3.49Å; V386-H389 PolarHBondContact O-N 3.2Å; V386-V390 HydrophobicContact CG1-CG2 4.26Å; V386-V390 VanDerWaalsContact O-CG2 3.31Å; V386-V390 WeakPolarHBondContact O-CG2 3.46Å; V386-V390 PolarHBondContact O-N 3.38Å; V386-L436 HydrophobicContact CG2-CB 4.44Å; V386-A437 HydrophobicContact CG1-CB 3.59Å; V386-I440 HydrophobicContact CB-CD1 3.79Å; V386-I440 HydrophobicContact CG1-CD1 4.33Å; V386-I440 HydrophobicContact CG2-CD1 3.33Å; V386-I440 HydrophobicContact CG2-CG1 3.89Å; V386-T506 HydrophobicContact CG1-CG2 4.31Å
387M90.6Very high89Confident4 Ų420.8 Ų20.82%0.0210%0.097CC..Hα-helixtrans-66.8-37.9176.4-63.7-43149.100112.8R383 K384 A385 H389 V390 S391 T506 D510 F511 V514R383-M387 PolarHBondContact O-N 3.46Å; K384-M387 PolarHBondContact O-N 2.92Å; K384-M387 VanDerWaalsContact O-N 3.12Å; A385-M387 VanDerWaalsContact C-N 3.31Å; A385-M387 PolarHBondContact O-N 2.86Å; M387-H389 VanDerWaalsContact C-N 3.27Å; M387-H389 PolarHBondContact O-N 2.91Å; M387-V390 PolarHBondContact O-N 2.6Å; M387-S391 WeakPolarHBondContact O-CB 3.44Å; M387-S391 PolarHBondContact O-N 3.21Å; M387-T506 HydrophobicContact CE-CG2 3.62Å; M387-T506 HydrophobicContact SD-CG2 4.16Å; M387-D510 HydrophobicContact CE-CB 3.9Å; M387-D510 HydrophobicContact CG-CB 3.58Å; M387-D510 HydrophobicContact SD-CB 4.27Å; M387-F511 HydrophobicContact SD-CB 4.29Å; M387-V514 HydrophobicContact CB-CB 3.93Å; M387-V514 HydrophobicContact CB-CG1 4.23Å; M387-V514 HydrophobicContact CB-CG2 3.66Å
388D91.6Very high89.2Confident4 Ų422.6 Ų22.62%0.02111%0.107CC..Hα-helixtrans-57.9-46173.3-58.9-18.9000109.2R329 K384 A385 S391 D392 V514 H518R329-D388 IonicContact CZ-OD1 2.87Å; R329-D388 IonicContact CZ-OD2 3.86Å; R329-D388 VanDerWaalsContact CZ-OD2 3.28Å; R329-D388 IonicContact NE-OD2 3.5Å; R329-D388 PolarHBondContact NE-OD2 3.49Å; R329-D388 IonicContact NH2-OD1 3.21Å; R329-D388 PolarHBondContact NH2-OD1 3.26Å; R329-D388 IonicContact NH2-OD2 3.1Å; R329-D388 PolarHBondContact NH2-OD2 3.4Å; K384-D388 VanDerWaalsContact O-CG 3.22Å; K384-D388 PolarHBondContact O-N 3.18Å; A385-D388 WeakPolarHBondContact O-CB 3.36Å; A385-D388 PolarHBondContact O-N 2.74Å; D388-S391 PolarHBondContact O-N 2.77Å; D388-D392 WeakPolarHBondContact O-CB 3.43Å; D388-D392 PolarHBondContact O-N 2.87Å; D388-V514 VanDerWaalsContact OD1-CG1 3.3Å; D388-V514 WeakPolarHBondContact OD1-CG1 3.43Å; D388-H518 IonicContact OD1-NE2 3.08Å
389H92.9Very high89.2Confident1 Ų125.7 Ų25.71%0.00513%0.126CC..Hα-helixtrans-60.8-47.2176.6-65.5162.8000113.7C324 T325 A385 V386 M387 S391 D392 S393 V433 L436C324-H389 VanDerWaalsContact C-CD2 3.42Å; C324-H389 PolarHBondContact O-CD2 2.68Å; T325-H389 WeakPolarHBondContact CA-NE2 3.48Å; T325-H389 PolarHBondContact N-NE2 3.38Å; T325-H389 PolarHBondContact OG1-CE1 3.11Å; T325-H389 VanDerWaalsContact OG1-CE1 3.27Å; T325-H389 PolarHBondContact OG1-NE2 3.38Å; A385-H389 VanDerWaalsContact O-CG 3.31Å; A385-H389 PolarHBondContact O-N 2.9Å; V386-H389 WeakPolarHBondContact O-CB 3.49Å; V386-H389 PolarHBondContact O-N 3.2Å; M387-H389 VanDerWaalsContact C-N 3.27Å; M387-H389 PolarHBondContact O-N 2.91Å; H389-S391 VanDerWaalsContact C-N 3.33Å; H389-D392 PolarHBondContact O-N 3.19Å; H389-S393 WeakPolarHBondContact O-CB 3.28Å; H389-S393 PolarHBondContact O-N 2.92Å; H389-S393 PolarHBondContact O-OG 3.33Å; H389-S393 VanDerWaalsContact O-OG 3.08Å; H389-V433 HydrophobicContact CB-CB 4.3Å; H389-V433 HydrophobicContact CB-CG1 3.7Å; H389-V433 HydrophobicContact CB-CG2 3.76Å; H389-L436 VanDerWaalsContact CE1-CD1 3.49Å; H389-L436 WeakPolarHBondContact CE1-CD1 3.49Å; H389-L436 WeakPolarHBondContact ND1-CD1 3.49Å
390V91.9Very high89.4Confident0 Ų024.8 Ų24.80%013%0.126CC..Hα-helixtrans-62.1-44.61781680000109.9V386 M387 F394 V433 V502 F511V386-V390 HydrophobicContact CG1-CG2 4.26Å; V386-V390 VanDerWaalsContact O-CG2 3.31Å; V386-V390 WeakPolarHBondContact O-CG2 3.46Å; V386-V390 PolarHBondContact O-N 3.38Å; M387-V390 PolarHBondContact O-N 2.6Å; V390-F394 HydrophobicContact CG1-CD2 3.89Å; V390-F394 HydrophobicContact CG1-CE2 4.34Å; V390-F394 HydrophobicContact CG2-CE2 4.37Å; V390-F394 VanDerWaalsContact O-CB 3.29Å; V390-F394 WeakPolarHBondContact O-CB 2.93Å; V390-F394 PolarHBondContact O-N 2.88Å; V390-V433 HydrophobicContact CG2-CG1 3.96Å; V390-V502 HydrophobicContact CG2-CG1 3.82Å; V390-F511 HydrophobicContact CG1-CD2 4.38Å
391S89.6Confident90Very high1 Ų122.1 Ų22.11%0.00712%0.116CC..Hα-helixtrans-64.8-42.8-179-152.20000110.8M387 D388 H389 L395 R548M387-S391 WeakPolarHBondContact O-CB 3.44Å; M387-S391 PolarHBondContact O-N 3.21Å; D388-S391 PolarHBondContact O-N 2.77Å; H389-S391 VanDerWaalsContact C-N 3.33Å; S391-L395 WeakPolarHBondContact O-CD1 3.24Å; S391-R548 VanDerWaalsContact C-NH1 3.32Å; S391-R548 VanDerWaalsContact CB-NH1 3.32Å; S391-R548 PolarHBondContact O-NH1 3.47Å; S391-R548 VanDerWaalsContact O-NH1 3.15Å; S391-R548 PolarHBondContact OG-NH1 3.43Å
392D89.6Confident90.3Very high61 Ų6125.6 Ų25.633%0.32613%0.134SC..Hα-helixtrans-85.5-36.5-175.5-65.3-21.1000113.7D388 H389 H518 R548D388-D392 WeakPolarHBondContact O-CB 3.43Å; D388-D392 PolarHBondContact O-N 2.87Å; H389-D392 PolarHBondContact O-N 3.19Å; D392-H518 IonicContact OD1-CE1 3.75Å; D392-H518 PolarHBondContact OD1-CE1 3.03Å; D392-H518 IonicContact OD1-ND1 2.68Å; D392-H518 PolarHBondContact OD1-ND1 3.39Å; D392-H518 IonicContact OD2-CE1 3.64Å; D392-R548 IonicContact OD1-CZ 3.31Å; D392-R548 IonicContact OD1-NH1 3.57Å; D392-R548 PolarHBondContact OD1-NH1 2.82Å; D392-R548 IonicContact OD1-NH2 2.69Å; D392-R548 PolarHBondContact OD1-NH2 3.46Å
393S89.5Confident90.4Very high16 Ų1628.3 Ų28.311%0.11215%0.15CC..Hα-helixtrans-84.3-26-174.5-56.60000113.6H389 L430 V433H389-S393 WeakPolarHBondContact O-CB 3.28Å; H389-S393 PolarHBondContact O-N 2.92Å; H389-S393 PolarHBondContact O-OG 3.33Å; H389-S393 VanDerWaalsContact O-OG 3.08Å; S393-L430 WeakPolarHBondContact O-CD2 3.49Å; S393-V433 WeakPolarHBondContact OG-CG2 3.33Å
394F87.6Confident90.9Very high8 Ų825.9 Ų25.94%0.03514%0.141CC..THydrogen-bonded Turntrans-96.616-178.2-61.9-9.9000113.7V390 T397 L430 V433 T499 V502V390-F394 HydrophobicContact CG1-CD2 3.89Å; V390-F394 HydrophobicContact CG1-CE2 4.34Å; V390-F394 HydrophobicContact CG2-CE2 4.37Å; V390-F394 VanDerWaalsContact O-CB 3.29Å; V390-F394 WeakPolarHBondContact O-CB 2.93Å; V390-F394 PolarHBondContact O-N 2.88Å; F394-T397 HydrophobicContact CB-CG2 4.49Å; F394-L430 HydrophobicContact CD1-CD2 3.44Å; F394-L430 VanDerWaalsContact CD1-CD2 3.44Å; F394-L430 HydrophobicContact CE1-CB 4.37Å; F394-L430 HydrophobicContact CE1-CD2 3.6Å; F394-V433 HydrophobicContact CE1-CB 4.4Å; F394-V433 HydrophobicContact CE1-CG1 4.2Å; F394-V433 HydrophobicContact CZ-CG1 4.09Å; F394-T499 HydrophobicContact CB-CG2 4.19Å; F394-T499 HydrophobicContact CD1-CG2 4.17Å; F394-T499 HydrophobicContact CD2-CG2 3.65Å; F394-T499 HydrophobicContact CE1-CG2 4.45Å; F394-T499 HydrophobicContact CE2-CG2 3.96Å; F394-T499 HydrophobicContact CG-CG2 3.77Å; F394-T499 HydrophobicContact CZ-CG2 4.35Å; F394-V502 HydrophobicContact CE2-CB 3.87Å; F394-V502 HydrophobicContact CE2-CG1 3.8Å; F394-V502 HydrophobicContact CE2-CG2 4.15Å; F394-V502 HydrophobicContact CZ-CB 4.41Å; F394-V502 HydrophobicContact CZ-CG1 4.38Å; F394-V502 HydrophobicContact CZ-CG2 4.18Å
395L84Confident91.3Very high34 Ų3425.7 Ų25.718%0.17814%0.141CC..SBendtrans-76.3-56.2-179.7-129.781.1000112.6S391 A544 R548S391-L395 WeakPolarHBondContact O-CD1 3.24Å; L395-A544 HydrophobicContact CD2-CB 4.07Å; L395-A544 WeakPolarHBondContact CD2-O 3.36Å; L395-R548 HydrophobicContact CD1-CB 3.77Å; L395-R548 HydrophobicContact CD1-CG 3.95Å; L395-R548 HydrophobicContact CD2-CB 4.43Å; L395-R548 HydrophobicContact CG-CB 4.5Å
396E81.7Confident91.5Very high100 Ų10030.1 Ų30.147%0.46716%0.161SC..SBendtrans-123.261.6-173-69.1-168.817300112.1N398 V399E396-N398 PolarHBondContact O-N 2.94Å; E396-N398 VanDerWaalsContact O-N 3.09Å; E396-V399 HydrophobicContact CB-CG2 3.94Å; E396-V399 HydrophobicContact CG-CG2 4.42Å
397T86.6Confident91.7Very high22 Ų2230.4 Ų30.414%0.13516%0.163CC..THydrogen-bonded Turntrans-68.8-13.7-16964.40000115.4F394 H426 L430 V495F394-T397 HydrophobicContact CB-CG2 4.49Å; T397-H426 WeakPolarHBondContact CA-NE2 2.99Å; T397-L430 HydrophobicContact CG2-CD2 4.11Å; T397-V495 HydrophobicContact CG2-CG1 3.92Å
398N88.2Confident91.9Very high50 Ų5030.2 Ų30.227%0.26716%0.162SC..THydrogen-bonded Turntrans-111.6-11.3-171.8-60.5-25.7000113.7E396 L401 L402E396-N398 PolarHBondContact O-N 2.94Å; E396-N398 VanDerWaalsContact O-N 3.09Å; N398-L401 WeakPolarHBondContact O-CB 3.3Å; N398-L401 PolarHBondContact O-N 3.02Å; N398-L401 VanDerWaalsContact O-N 3.12Å; N398-L402 WeakPolarHBondContact O-CG 3.49Å; N398-L402 PolarHBondContact O-N 3.37Å
399V91.6Very high92.1Very high65 Ų6535 Ų3539%0.39418%0.183SC..Hα-helixtrans-60.3-48-175.3172.60000112.1E396 L401 L402 V403E396-V399 HydrophobicContact CB-CG2 3.94Å; E396-V399 HydrophobicContact CG-CG2 4.42Å; V399-L401 PolarHBondContact O-N 3.4Å; V399-L402 PolarHBondContact O-N 3.36Å; V399-L402 VanDerWaalsContact O-N 3.12Å; V399-V403 HydrophobicContact CG1-CG2 4.43Å; V399-V403 WeakPolarHBondContact O-CG2 3.34Å; V399-V403 PolarHBondContact O-N 3.42Å; V399-V403 VanDerWaalsContact O-N 3.09Å
400P94.9Very high92.2Very high23 Ų2339.5 Ų39.515%0.14921%0.207CC..Hα-helixtrans-59.9-31.4176.9-25.936.7000113.5L404 F423 H426P400-L404 VanDerWaalsContact O-CB 3.27Å; P400-L404 WeakPolarHBondContact O-CB 3.26Å; P400-L404 PolarHBondContact O-N 3.34Å; P400-L404 VanDerWaalsContact O-N 3.13Å; P400-F423 HydrophobicContact CB-CB 4.25Å; P400-F423 HydrophobicContact CB-CD2 4.26Å; P400-H426 HydrophobicContact CG-CB 4.04Å
401L96.3Very high92.3Very high0 Ų040.7 Ų40.70%022%0.22CC..Hα-helixtrans-69.7-45175.7176.861.8000111.6N398 V399 L404 I405 F423 V464 M484 K488 W491N398-L401 WeakPolarHBondContact O-CB 3.3Å; N398-L401 PolarHBondContact O-N 3.02Å; N398-L401 VanDerWaalsContact O-N 3.12Å; V399-L401 PolarHBondContact O-N 3.4Å; L401-L404 WeakPolarHBondContact O-CB 3.4Å; L401-L404 PolarHBondContact O-N 3.14Å; L401-I405 HydrophobicContact CD1-CD1 3.73Å; L401-I405 HydrophobicContact CD1-CG1 4.04Å; L401-I405 HydrophobicContact CD2-CD1 4.39Å; L401-I405 HydrophobicContact CG-CD1 3.74Å; L401-I405 HydrophobicContact CG-CG1 4.4Å; L401-I405 VanDerWaalsContact O-CG1 3.27Å; L401-I405 WeakPolarHBondContact O-CG1 3.47Å; L401-I405 PolarHBondContact O-N 3.2Å; L401-F423 HydrophobicContact CB-CD2 4.09Å; L401-F423 HydrophobicContact CB-CE2 3.86Å; L401-F423 HydrophobicContact CD1-CE2 4.06Å; L401-F423 HydrophobicContact CD1-CZ 4.35Å; L401-F423 HydrophobicContact CG-CE2 4.46Å; L401-V464 HydrophobicContact CD1-CG1 3.48Å; L401-V464 VanDerWaalsContact CD1-CG1 3.48Å; L401-M484 HydrophobicContact CD1-CE 4.37Å; L401-K488 HydrophobicContact CD2-CG 4.15Å; L401-W491 HydrophobicContact CD2-CB 3.97Å; L401-W491 VanDerWaalsContact CD2-CD1 3.46Å; L401-W491 HydrophobicContact CD2-CG 3.87Å
402L95.8Very high92.5Very high87 Ų8743.8 Ų43.846%0.45524%0.236SC..Hα-helixtrans-63.8-43.1-179-66.4177.7000111.4N398 V399 I405 E406N398-L402 WeakPolarHBondContact O-CG 3.49Å; N398-L402 PolarHBondContact O-N 3.37Å; V399-L402 PolarHBondContact O-N 3.36Å; V399-L402 VanDerWaalsContact O-N 3.12Å; L402-I405 PolarHBondContact O-N 3.41Å; L402-E406 WeakPolarHBondContact O-CB 3.45Å; L402-E406 PolarHBondContact O-N 2.77Å
403V95.8Very high92.6Very high56 Ų5645.5 Ų45.534%0.33924%0.242SC..Hα-helixtrans-62.5-43.5175.5177.80000111.2V399 I405 E406 A407 Y419V399-V403 HydrophobicContact CG1-CG2 4.43Å; V399-V403 WeakPolarHBondContact O-CG2 3.34Å; V399-V403 PolarHBondContact O-N 3.42Å; V399-V403 VanDerWaalsContact O-N 3.09Å; V403-I405 PolarHBondContact O-N 3.07Å; V403-E406 PolarHBondContact O-N 2.9Å; V403-A407 PolarHBondContact O-N 2.88Å; V403-Y419 HydrophobicContact CG1-CD1 3.67Å; V403-Y419 HydrophobicContact CG1-CD2 3.84Å; V403-Y419 HydrophobicContact CG1-CE1 3.57Å; V403-Y419 HydrophobicContact CG1-CE2 3.74Å; V403-Y419 HydrophobicContact CG1-CG 3.81Å
404L97.4Very high92.8Very high0 Ų052.2 Ų52.20%027%0.269CS..Hα-helixtrans-59.6-44.7175.4174.263.6000112.2P400 L401 A408 V416 A420 F423 A468P400-L404 VanDerWaalsContact O-CB 3.27Å; P400-L404 WeakPolarHBondContact O-CB 3.26Å; P400-L404 PolarHBondContact O-N 3.34Å; P400-L404 VanDerWaalsContact O-N 3.13Å; L401-L404 WeakPolarHBondContact O-CB 3.4Å; L401-L404 PolarHBondContact O-N 3.14Å; L404-A408 WeakPolarHBondContact O-CB 3.4Å; L404-A408 PolarHBondContact O-N 3.11Å; L404-A408 VanDerWaalsContact O-N 3.12Å; L404-V416 HydrophobicContact CD1-CB 4.37Å; L404-V416 HydrophobicContact CD1-CG1 3.76Å; L404-V416 WeakPolarHBondContact CD1-O 3.4Å; L404-A420 HydrophobicContact CD1-CB 4.16Å; L404-F423 HydrophobicContact CD2-CB 4.19Å; L404-F423 HydrophobicContact CD2-CD1 4.13Å; L404-F423 HydrophobicContact CD2-CG 4.11Å; L404-A468 HydrophobicContact CD1-CB 4.04Å; L404-A468 HydrophobicContact CD2-CB 4.09Å; L404-A468 HydrophobicContact CG-CB 3.84Å
405I96.6Very high93.1Very high6 Ų655.4 Ų55.43%0.03128%0.284CS..Hα-helixtrans-67.5-39.5179.6-69.7170.3000110.8L401 L402 V403 A408 K409 M484 K488L401-I405 HydrophobicContact CD1-CD1 3.73Å; L401-I405 HydrophobicContact CD1-CG1 4.04Å; L401-I405 HydrophobicContact CD2-CD1 4.39Å; L401-I405 HydrophobicContact CG-CD1 3.74Å; L401-I405 HydrophobicContact CG-CG1 4.4Å; L401-I405 VanDerWaalsContact O-CG1 3.27Å; L401-I405 WeakPolarHBondContact O-CG1 3.47Å; L401-I405 PolarHBondContact O-N 3.2Å; L402-I405 PolarHBondContact O-N 3.41Å; V403-I405 PolarHBondContact O-N 3.07Å; I405-A408 WeakPolarHBondContact O-CB 3.34Å; I405-A408 PolarHBondContact O-N 2.99Å; I405-K409 HydrophobicContact CG2-CD 4.21Å; I405-K409 HydrophobicContact CG2-CG 4.36Å; I405-K409 WeakPolarHBondContact O-CG 3.23Å; I405-K409 PolarHBondContact O-N 3.39Å; I405-M484 HydrophobicContact CD1-CE 3.76Å; I405-M484 HydrophobicContact CD1-CG 4.46Å; I405-M484 HydrophobicContact CG1-CE 3.67Å; I405-M484 HydrophobicContact CG1-CG 4.12Å; I405-M484 HydrophobicContact CG1-SD 4.25Å; I405-M484 HydrophobicContact CG2-CG 4.38Å; I405-K488 HydrophobicContact CD1-CB 3.85Å; I405-K488 HydrophobicContact CD1-CD 3.87Å; I405-K488 HydrophobicContact CD1-CG 3.81Å
406E96.6Very high93.7Very high95 Ų9553.8 Ų53.844%0.44428%0.276SS..Hα-helixtrans-65.6-44.3179.8-169.954.4-146.500111.4L402 V403 A408 K409 N410L402-E406 WeakPolarHBondContact O-CB 3.45Å; L402-E406 PolarHBondContact O-N 2.77Å; V403-E406 PolarHBondContact O-N 2.9Å; E406-A408 PolarHBondContact O-N 3.2Å; E406-K409 PolarHBondContact O-N 2.78Å; E406-N410 PolarHBondContact O-N 3.02Å; E406-N410 PolarHBondContact O-ND2 3.48Å; E406-N410 PolarHBondContact OE1-ND2 3.43Å
407A96.3Very high94.2Very high5 Ų554.6 Ų54.64%0.04128%0.278CS..Hα-helixtrans-58.6-37.9171.800000112.1V403 N410 G411 N412 E415 V416 Y419V403-A407 PolarHBondContact O-N 2.88Å; A407-N410 PolarHBondContact O-N 3.48Å; A407-G411 PolarHBondContact O-N 3.37Å; A407-N412 PolarHBondContact O-N 3.23Å; A407-N412 VanDerWaalsContact O-N 3.07Å; A407-E415 HydrophobicContact CB-CB 3.98Å; A407-V416 HydrophobicContact CB-CG2 3.74Å; A407-Y419 HydrophobicContact CB-CD2 3.79Å; A407-Y419 HydrophobicContact CB-CE2 4.09Å
408A96.1Very high94.7Very high0 Ų058 Ų580%029%0.292CS..Hα-helixtrans-68.6-40.9176.800000112.8L404 I405 E406 N410 G411 V416 A468 L471 A472L404-A408 WeakPolarHBondContact O-CB 3.4Å; L404-A408 PolarHBondContact O-N 3.11Å; L404-A408 VanDerWaalsContact O-N 3.12Å; I405-A408 WeakPolarHBondContact O-CB 3.34Å; I405-A408 PolarHBondContact O-N 2.99Å; E406-A408 PolarHBondContact O-N 3.2Å; A408-N410 VanDerWaalsContact C-N 3.25Å; A408-N410 PolarHBondContact O-N 2.99Å; A408-G411 PolarHBondContact O-N 2.89Å; A408-V416 HydrophobicContact CB-CG2 3.86Å; A408-V416 VanDerWaalsContact N-CG2 3.33Å; A408-A468 HydrophobicContact CB-CB 4.22Å; A408-A468 VanDerWaalsContact CB-O 3.31Å; A408-A468 WeakPolarHBondContact CB-O 3.49Å; A408-L471 HydrophobicContact CB-CB 4.19Å; A408-L471 HydrophobicContact CB-CD2 3.98Å; A408-L471 HydrophobicContact CB-CG 4.13Å; A408-A472 HydrophobicContact CB-CB 4.32Å; A408-A472 WeakPolarHBondContact O-CA 3.48Å
409K95.7Very high95.1Very high106 Ų10659.9 Ų59.946%0.46130%0.296SS..Hα-helixtrans-62-34.6174.8-75.6176.2177.4176.20112.3I405 E406 G411 L471 P475I405-K409 HydrophobicContact CG2-CD 4.21Å; I405-K409 HydrophobicContact CG2-CG 4.36Å; I405-K409 WeakPolarHBondContact O-CG 3.23Å; I405-K409 PolarHBondContact O-N 3.39Å; E406-K409 PolarHBondContact O-N 2.78Å; K409-G411 PolarHBondContact O-N 3.23Å; K409-L471 HydrophobicContact CG-CD2 4.07Å; K409-P475 VanDerWaalsContact O-CB 3.31Å; K409-P475 WeakPolarHBondContact O-CB 3.36Å
410N95.5Very high95.3Very high94 Ų9457.1 Ų57.150%0.50328%0.28SS..THydrogen-bonded Turntrans-77.2-6176.3-68-41.9000113.6E406 A407 A408 N412E406-N410 PolarHBondContact O-N 3.02Å; E406-N410 PolarHBondContact O-ND2 3.48Å; E406-N410 PolarHBondContact OE1-ND2 3.43Å; A407-N410 PolarHBondContact O-N 3.48Å; A408-N410 VanDerWaalsContact C-N 3.25Å; A408-N410 PolarHBondContact O-N 2.99Å; N410-N412 VanDerWaalsContact C-N 3.3Å
411G93.7Very high95.4Very high26 Ų2662.1 Ų62.127%0.26830%0.302SS..THydrogen-bonded Turntrans75.316.2-179.600000114.2A407 A408 K409 E413 A472A407-G411 PolarHBondContact O-N 3.37Å; A408-G411 PolarHBondContact O-N 2.89Å; K409-G411 PolarHBondContact O-N 3.23Å; G411-E413 PolarHBondContact O-N 2.99Å; G411-E413 VanDerWaalsContact O-N 3.08Å; G411-A472 WeakPolarHBondContact CA-O 3.4Å
412N94.1Very high95.4Very high66 Ų6665.7 Ų65.735%0.35332%0.323SS..  trans-85.178.3-174.8-68.4-16.7000111.1A407 N410 K414 E415 V416A407-N412 PolarHBondContact O-N 3.23Å; A407-N412 VanDerWaalsContact O-N 3.07Å; N410-N412 VanDerWaalsContact C-N 3.3Å; N412-K414 PolarHBondContact O-N 2.82Å; N412-K414 VanDerWaalsContact O-N 3.08Å; N412-E415 HydrophobicContact CB-CB 3.98Å; N412-E415 HydrophobicContact CB-CG 4.15Å; N412-E415 WeakPolarHBondContact CB-OE2 3.3Å; N412-E415 PolarHBondContact ND2-OE2 2.83Å; N412-E415 PolarHBondContact O-N 3.44Å; N412-V416 WeakPolarHBondContact O-CG2 3.49Å; N412-V416 PolarHBondContact O-N 3.44Å
413E90.8Very high95.4Very high96 Ų9661.6 Ų61.645%0.44930%0.302SS..Hα-helixtrans-54.9-32.6-175.9-71.5-168-165.600114.8G411 K417 A472G411-E413 PolarHBondContact O-N 2.99Å; G411-E413 VanDerWaalsContact O-N 3.08Å; E413-K417 WeakPolarHBondContact O-CG 3.38Å; E413-K417 PolarHBondContact O-N 3.17Å; E413-A472 HydrophobicContact CG-CB 4.06Å
414K93.3Very high95.5Very high157 Ų15764.7 Ų64.768%0.68331%0.307SS*.Hα-helixtrans-69.5-50.5178.9-172.8-174.3172.9-161.10111.1N412 V416 K417 E418N412-K414 PolarHBondContact O-N 2.82Å; N412-K414 VanDerWaalsContact O-N 3.08Å; K414-V416 VanDerWaalsContact C-N 3.28Å; K414-V416 PolarHBondContact O-N 3.5Å; K414-K417 WeakPolarHBondContact O-CB 3.35Å; K414-K417 PolarHBondContact O-N 3.36Å; K414-K417 VanDerWaalsContact O-N 3.11Å; K414-E418 VanDerWaalsContact CE-OE1 3.23Å; K414-E418 WeakPolarHBondContact CE-OE1 3.47Å; K414-E418 IonicContact NZ-OE1 3.55Å; K414-E418 PolarHBondContact O-N 3.47Å
415E95Very high95.4Very high76 Ų7670.1 Ų70.136%0.35533%0.333SS..Hα-helixtrans-61.2-39.2177.6-70.4-179.7171.800111.2A407 N412 K417 E418 Y419A407-E415 HydrophobicContact CB-CB 3.98Å; N412-E415 HydrophobicContact CB-CB 3.98Å; N412-E415 HydrophobicContact CB-CG 4.15Å; N412-E415 WeakPolarHBondContact CB-OE2 3.3Å; N412-E415 PolarHBondContact ND2-OE2 2.83Å; N412-E415 PolarHBondContact O-N 3.44Å; E415-K417 VanDerWaalsContact C-N 3.26Å; E415-K417 PolarHBondContact O-N 3.39Å; E415-E418 PolarHBondContact O-N 3.36Å; E415-E418 VanDerWaalsContact O-N 3.13Å; E415-Y419 HydrophobicContact CB-CD2 4.09Å; E415-Y419 HydrophobicContact CB-CE2 3.93Å; E415-Y419 WeakPolarHBondContact O-CD2 3.41Å; E415-Y419 PolarHBondContact O-N 3.48Å
416V95.5Very high95.3Very high0 Ų071.4 Ų71.40%034%0.339CS..Hα-helixtrans-59.9-37.1176172.70000111.8L404 A407 A408 N412 K414 A420 A468 L469 A472L404-V416 HydrophobicContact CD1-CB 4.37Å; L404-V416 HydrophobicContact CD1-CG1 3.76Å; L404-V416 WeakPolarHBondContact CD1-O 3.4Å; A407-V416 HydrophobicContact CB-CG2 3.74Å; A408-V416 HydrophobicContact CB-CG2 3.86Å; A408-V416 VanDerWaalsContact N-CG2 3.33Å; N412-V416 WeakPolarHBondContact O-CG2 3.49Å; N412-V416 PolarHBondContact O-N 3.44Å; K414-V416 VanDerWaalsContact C-N 3.28Å; K414-V416 PolarHBondContact O-N 3.5Å; V416-A420 WeakPolarHBondContact O-CB 3.33Å; V416-A420 PolarHBondContact O-N 3.49Å; V416-A468 HydrophobicContact CG1-CB 4.17Å; V416-L469 HydrophobicContact CG1-CD2 3.72Å; V416-L469 HydrophobicContact CG1-CG 4.1Å; V416-A472 HydrophobicContact CB-CB 4.35Å; V416-A472 HydrophobicContact CG1-CB 4.45Å; V416-A472 HydrophobicContact CG2-CB 3.87Å
417K93.7Very high95.2Very high116 Ų11666.9 Ų66.950%0.50432%0.317SS..Hα-helixtrans-69.6-37.7175.9-72172.5-173.7168.80112.4E413 K414 E415 Q421 L469E413-K417 WeakPolarHBondContact O-CG 3.38Å; E413-K417 PolarHBondContact O-N 3.17Å; K414-K417 WeakPolarHBondContact O-CB 3.35Å; K414-K417 PolarHBondContact O-N 3.36Å; K414-K417 VanDerWaalsContact O-N 3.11Å; E415-K417 VanDerWaalsContact C-N 3.26Å; E415-K417 PolarHBondContact O-N 3.39Å; K417-Q421 PolarHBondContact O-N 3.27Å; K417-L469 HydrophobicContact CG-CD2 3.78Å
418E95.5Very high95.2Very high95 Ų9570.6 Ų70.644%0.44434%0.336SS..Hα-helixtrans-67.3-52.2176.7-68.3171.5-17400110.3K414 E415 A420 Q421 V422K414-E418 VanDerWaalsContact CE-OE1 3.23Å; K414-E418 WeakPolarHBondContact CE-OE1 3.47Å; K414-E418 IonicContact NZ-OE1 3.55Å; K414-E418 PolarHBondContact O-N 3.47Å; E415-E418 PolarHBondContact O-N 3.36Å; E415-E418 VanDerWaalsContact O-N 3.13Å; E418-A420 VanDerWaalsContact C-N 3.29Å; E418-A420 PolarHBondContact O-N 2.92Å; E418-Q421 WeakPolarHBondContact O-CB 3.48Å; E418-Q421 PolarHBondContact O-N 3Å; E418-Q421 VanDerWaalsContact O-N 3.11Å; E418-V422 PolarHBondContact O-N 3.02Å
419Y97.3Very high95.1Very high88 Ų8874.9 Ų74.935%0.34536%0.355SS..Hα-helixtrans-66.9-26.4177.3-64.5-49.8000113.5V403 A407 E415 Q421 V422 F423V403-Y419 HydrophobicContact CG1-CD1 3.67Å; V403-Y419 HydrophobicContact CG1-CD2 3.84Å; V403-Y419 HydrophobicContact CG1-CE1 3.57Å; V403-Y419 HydrophobicContact CG1-CE2 3.74Å; V403-Y419 HydrophobicContact CG1-CG 3.81Å; A407-Y419 HydrophobicContact CB-CD2 3.79Å; A407-Y419 HydrophobicContact CB-CE2 4.09Å; E415-Y419 HydrophobicContact CB-CD2 4.09Å; E415-Y419 HydrophobicContact CB-CE2 3.93Å; E415-Y419 WeakPolarHBondContact O-CD2 3.41Å; E415-Y419 PolarHBondContact O-N 3.48Å; Y419-Q421 VanDerWaalsContact C-N 3.28Å; Y419-Q421 PolarHBondContact O-N 3.08Å; Y419-V422 PolarHBondContact O-N 3.31Å; Y419-F423 WeakPolarHBondContact O-CB 3.49Å; Y419-F423 PolarHBondContact O-N 3.16Å
420A96.1Very high95.1Very high7 Ų769.9 Ų69.96%0.05833%0.333CS..Hα-helixtrans-64.7-31.817300000112.6L404 V416 E418 R424 I465L404-A420 HydrophobicContact CD1-CB 4.16Å; V416-A420 WeakPolarHBondContact O-CB 3.33Å; V416-A420 PolarHBondContact O-N 3.49Å; E418-A420 VanDerWaalsContact C-N 3.29Å; E418-A420 PolarHBondContact O-N 2.92Å; A420-R424 WeakPolarHBondContact O-CB 3.4Å; A420-R424 PolarHBondContact O-N 2.85Å; A420-I465 HydrophobicContact CB-CB 4.49Å; A420-I465 HydrophobicContact CB-CD1 4.32Å; A420-I465 HydrophobicContact CB-CG1 4.1Å; A420-I465 HydrophobicContact CB-CG2 3.67Å
421Q96Very high95.1Very high129 Ų12966.3 Ų66.360%0.60331%0.314SS*.Hα-helixtrans-69-47.7173.2-68.9-176.4-14.600110.5K417 E418 Y419 F423 R424 E425K417-Q421 PolarHBondContact O-N 3.27Å; E418-Q421 WeakPolarHBondContact O-CB 3.48Å; E418-Q421 PolarHBondContact O-N 3Å; E418-Q421 VanDerWaalsContact O-N 3.11Å; Y419-Q421 VanDerWaalsContact C-N 3.28Å; Y419-Q421 PolarHBondContact O-N 3.08Å; Q421-F423 VanDerWaalsContact C-N 3.33Å; Q421-F423 PolarHBondContact O-N 2.97Å; Q421-R424 PolarHBondContact O-N 3.27Å; Q421-R424 VanDerWaalsContact O-N 3.12Å; Q421-E425 WeakPolarHBondContact O-CG 3.5Å; Q421-E425 PolarHBondContact O-N 3.4Å
422V96.1Very high95.1Very high74 Ų7468.1 Ų68.145%0.44832%0.316SS..Hα-helixtrans-57.4-46.3176.6-1800000111.3E418 Y419 R424 E425 H426E418-V422 PolarHBondContact O-N 3.02Å; Y419-V422 PolarHBondContact O-N 3.31Å; V422-R424 PolarHBondContact O-N 3.04Å; V422-E425 PolarHBondContact O-N 3.37Å; V422-H426 WeakPolarHBondContact O-CB 3.49Å; V422-H426 PolarHBondContact O-N 3.47Å
423F96.9Very high95.1Very high1 Ų165 Ų650%0.00430%0.299CS..Hα-helixtrans-60.9-42.5176.4172.4-104.2000112.4P400 L401 L404 Y419 Q421 H426 A427 V464 I465 W491P400-F423 HydrophobicContact CB-CB 4.25Å; P400-F423 HydrophobicContact CB-CD2 4.26Å; L401-F423 HydrophobicContact CB-CD2 4.09Å; L401-F423 HydrophobicContact CB-CE2 3.86Å; L401-F423 HydrophobicContact CD1-CE2 4.06Å; L401-F423 HydrophobicContact CD1-CZ 4.35Å; L401-F423 HydrophobicContact CG-CE2 4.46Å; L404-F423 HydrophobicContact CD2-CB 4.19Å; L404-F423 HydrophobicContact CD2-CD1 4.13Å; L404-F423 HydrophobicContact CD2-CG 4.11Å; Y419-F423 WeakPolarHBondContact O-CB 3.49Å; Y419-F423 PolarHBondContact O-N 3.16Å; Q421-F423 VanDerWaalsContact C-N 3.33Å; Q421-F423 PolarHBondContact O-N 2.97Å; F423-H426 PolarHBondContact O-N 2.9Å; F423-A427 WeakPolarHBondContact O-CB 3.35Å; F423-A427 PolarHBondContact O-N 3.49Å; F423-V464 HydrophobicContact CE1-CB 4.08Å; F423-V464 HydrophobicContact CE1-CG1 3.91Å; F423-V464 HydrophobicContact CZ-CB 4.22Å; F423-V464 HydrophobicContact CZ-CG1 3.82Å; F423-I465 HydrophobicContact CD1-CD1 4.11Å; F423-I465 HydrophobicContact CD1-CG1 3.81Å; F423-I465 HydrophobicContact CE1-CG1 4.15Å; F423-W491 HydrophobicContact CE1-CH2 4.3Å; F423-W491 HydrophobicContact CE1-CZ2 4.43Å; F423-W491 HydrophobicContact CE1-CZ3 4.36Å; F423-W491 AromaticContact CE2-CD2 3.95Å; F423-W491 HydrophobicContact CE2-CD2 3.95Å; F423-W491 AromaticContact CE2-CE2 3.4Å; F423-W491 HydrophobicContact CE2-CG 4.44Å; F423-W491 HydrophobicContact CE2-CH2 4.2Å; F423-W491 AromaticContact CE2-CZ2 3.54Å; F423-W491 HydrophobicContact CE2-CZ2 3.54Å; F423-W491 AromaticContact CE2-NE1 3.61Å; F423-W491 AromaticContact CZ-CD2 3.53Å; F423-W491 HydrophobicContact CZ-CD2 3.53Å; F423-W491 AromaticContact CZ-CE2 3.39Å; F423-W491 AromaticContact CZ-CE3 3.71Å; F423-W491 HydrophobicContact CZ-CE3 3.71Å; F423-W491 HydrophobicContact CZ-CG 4.25Å; F423-W491 AromaticContact CZ-CH2 3.65Å; F423-W491 HydrophobicContact CZ-CH2 3.65Å; F423-W491 AromaticContact CZ-CZ2 3.45Å; F423-W491 HydrophobicContact CZ-CZ2 3.45Å; F423-W491 VanDerWaalsContact CZ-CZ2 3.45Å; F423-W491 AromaticContact CZ-CZ3 3.78Å; F423-W491 HydrophobicContact CZ-CZ3 3.78Å
424R96.9Very high95.3Very high121 Ų12160.4 Ų60.446%0.45728%0.277SS..Hα-helixtrans-66.8-42.9177.6-176.2-179.5-63.2171.52112.2A420 Q421 V422 H426 A427 N428 I465A420-R424 WeakPolarHBondContact O-CB 3.4Å; A420-R424 PolarHBondContact O-N 2.85Å; Q421-R424 PolarHBondContact O-N 3.27Å; Q421-R424 VanDerWaalsContact O-N 3.12Å; V422-R424 PolarHBondContact O-N 3.04Å; R424-H426 VanDerWaalsContact C-N 3.31Å; R424-A427 WeakPolarHBondContact O-CB 3.36Å; R424-A427 PolarHBondContact O-N 3.25Å; R424-N428 VanDerWaalsContact O-CG 3.25Å; R424-N428 PolarHBondContact O-N 2.98Å; R424-I465 HydrophobicContact CB-CD1 4.21Å
425E95Very high95.2Very high114 Ų11456.3 Ų56.353%0.53326%0.263SS..Hα-helixtrans-61.7-42.8176.1-73.9174.1-169.300110.9Q421 V422 N428 K429Q421-E425 WeakPolarHBondContact O-CG 3.5Å; Q421-E425 PolarHBondContact O-N 3.4Å; V422-E425 PolarHBondContact O-N 3.37Å; E425-N428 PolarHBondContact O-N 3.08Å; E425-K429 WeakPolarHBondContact O-CG 3.38Å; E425-K429 PolarHBondContact O-N 3.5Å
426H94.4Very high95.2Very high34 Ų3453.8 Ų53.816%0.15725%0.252CS..Hα-helixtrans-62.5-44.8174.2-176.666.7000112.2T397 P400 V422 F423 R424 N428 K429 L430T397-H426 WeakPolarHBondContact CA-NE2 2.99Å; P400-H426 HydrophobicContact CG-CB 4.04Å; V422-H426 WeakPolarHBondContact O-CB 3.49Å; V422-H426 PolarHBondContact O-N 3.47Å; F423-H426 PolarHBondContact O-N 2.9Å; R424-H426 VanDerWaalsContact C-N 3.31Å; H426-N428 VanDerWaalsContact C-N 3.31Å; H426-N428 PolarHBondContact O-N 3.15Å; H426-K429 WeakPolarHBondContact O-CB 3.38Å; H426-K429 PolarHBondContact O-N 3.04Å; H426-K429 VanDerWaalsContact O-N 3.14Å; H426-L430 WeakPolarHBondContact O-CG 3.45Å; H426-L430 PolarHBondContact O-N 3.45Å
427A96.1Very high95.1Very high0 Ų053.9 Ų53.90%025%0.253CS..Hα-helixtrans-57-43.317400000112.7F423 R424 K429 L430 I431 C461 W491F423-A427 WeakPolarHBondContact O-CB 3.35Å; F423-A427 PolarHBondContact O-N 3.49Å; R424-A427 WeakPolarHBondContact O-CB 3.36Å; R424-A427 PolarHBondContact O-N 3.25Å; A427-K429 VanDerWaalsContact C-N 3.34Å; A427-L430 PolarHBondContact O-N 3.21Å; A427-I431 WeakPolarHBondContact O-CD1 3.42Å; A427-I431 WeakPolarHBondContact O-CG1 3.25Å; A427-I431 PolarHBondContact O-N 3.48Å; A427-I431 VanDerWaalsContact O-N 3.1Å; A427-C461 HydrophobicContact CB-CB 4.42Å; A427-W491 HydrophobicContact CB-CH2 3.52Å; A427-W491 HydrophobicContact CB-CZ2 3.97Å
428N95.2Very high95Very high82 Ų8248.4 Ų48.444%0.43923%0.229SC..Hα-helixtrans-64.3-38.8176.9-70.7-15.4000111.6R424 E425 H426 I431 E432R424-N428 VanDerWaalsContact O-CG 3.25Å; R424-N428 PolarHBondContact O-N 2.98Å; E425-N428 PolarHBondContact O-N 3.08Å; H426-N428 VanDerWaalsContact C-N 3.31Å; H426-N428 PolarHBondContact O-N 3.15Å; N428-I431 PolarHBondContact O-N 3.43Å; N428-E432 WeakPolarHBondContact O-CB 3.2Å; N428-E432 PolarHBondContact O-N 3.09Å
429K94.3Very high94.8Very high91 Ų9145.1 Ų45.140%0.39622%0.216SC..Hα-helixtrans-61-45.5173.2-70.9176.1-175.9-177.40111.7E425 H426 A427 I431 E432 V433E425-K429 WeakPolarHBondContact O-CG 3.38Å; E425-K429 PolarHBondContact O-N 3.5Å; H426-K429 WeakPolarHBondContact O-CB 3.38Å; H426-K429 PolarHBondContact O-N 3.04Å; H426-K429 VanDerWaalsContact O-N 3.14Å; A427-K429 VanDerWaalsContact C-N 3.34Å; K429-I431 VanDerWaalsContact C-N 3.28Å; K429-I431 PolarHBondContact O-N 3.49Å; K429-E432 PolarHBondContact O-N 3.07Å; K429-V433 WeakPolarHBondContact O-CG2 3.26Å; K429-V433 PolarHBondContact O-N 2.87Å
430L95.4Very high94.4Very high1 Ų142.1 Ų42.11%0.00521%0.206CC..Hα-helixtrans-57.4-42.6176.2-63.5175.4000111.8S393 F394 T397 H426 A427 A434 L457 V495 L498S393-L430 WeakPolarHBondContact O-CD2 3.49Å; F394-L430 HydrophobicContact CD1-CD2 3.44Å; F394-L430 VanDerWaalsContact CD1-CD2 3.44Å; F394-L430 HydrophobicContact CE1-CB 4.37Å; F394-L430 HydrophobicContact CE1-CD2 3.6Å; T397-L430 HydrophobicContact CG2-CD2 4.11Å; H426-L430 WeakPolarHBondContact O-CG 3.45Å; H426-L430 PolarHBondContact O-N 3.45Å; A427-L430 PolarHBondContact O-N 3.21Å; L430-A434 WeakPolarHBondContact O-CB 3.47Å; L430-A434 PolarHBondContact O-N 3.44Å; L430-A434 VanDerWaalsContact O-N 3.12Å; L430-L457 HydrophobicContact CB-CD2 4.4Å; L430-L457 HydrophobicContact CD1-CD2 4.36Å; L430-V495 HydrophobicContact CD1-CG1 4.42Å; L430-V495 HydrophobicContact CD1-CG2 4.31Å; L430-L498 HydrophobicContact CB-CD2 4.4Å
431I95.1Very high94Very high18 Ų1842.4 Ų42.49%0.09221%0.207CC..Hα-helixtrans-68.2-41177.6-68.3160.6000111.4A427 N428 K429 A434 N435 A454 L457 E458A427-I431 WeakPolarHBondContact O-CD1 3.42Å; A427-I431 WeakPolarHBondContact O-CG1 3.25Å; A427-I431 PolarHBondContact O-N 3.48Å; A427-I431 VanDerWaalsContact O-N 3.1Å; N428-I431 PolarHBondContact O-N 3.43Å; K429-I431 VanDerWaalsContact C-N 3.28Å; K429-I431 PolarHBondContact O-N 3.49Å; I431-A434 PolarHBondContact O-N 3.27Å; I431-N435 WeakPolarHBondContact CG2-ND2 3.37Å; I431-N435 PolarHBondContact O-N 3.2Å; I431-N435 PolarHBondContact O-ND2 3.06Å; I431-N435 VanDerWaalsContact O-ND2 3.08Å; I431-A454 HydrophobicContact CG1-CB 4.42Å; I431-A454 HydrophobicContact CG2-CB 4.27Å; I431-L457 HydrophobicContact CG1-CD2 4.38Å; I431-E458 HydrophobicContact CD1-CB 3.75Å; I431-E458 HydrophobicContact CD1-CG 4.32Å
432E93.9Very high93.3Very high65 Ų6540.5 Ų40.530%0.30420%0.202SC..Hα-helixtrans-59.9-50.9177.1-173.6-177.6161.900110.8S322 N428 K429 A434 N435 L436S322-E432 WeakPolarHBondContact CB-OE1 3.25Å; S322-E432 PolarHBondContact OG-OE1 3.11Å; N428-E432 WeakPolarHBondContact O-CB 3.2Å; N428-E432 PolarHBondContact O-N 3.09Å; K429-E432 PolarHBondContact O-N 3.07Å; E432-A434 VanDerWaalsContact C-N 3.32Å; E432-A434 PolarHBondContact O-N 3.5Å; E432-N435 PolarHBondContact O-N 3.02Å; E432-N435 VanDerWaalsContact O-N 3.11Å; E432-L436 HydrophobicContact CG-CD1 4.26Å; E432-L436 WeakPolarHBondContact O-CG 3.47Å; E432-L436 PolarHBondContact O-N 2.82Å
433V94.4Very high92.5Very high0 Ų040.2 Ų40.20%020%0.197CC..Hα-helixtrans-58.6-43.7177.3172.70000111.6C324 H389 V390 S393 F394 K429 N435 L436 A437C324-V433 HydrophobicContact CB-CG2 4.5Å; H389-V433 HydrophobicContact CB-CB 4.3Å; H389-V433 HydrophobicContact CB-CG1 3.7Å; H389-V433 HydrophobicContact CB-CG2 3.76Å; V390-V433 HydrophobicContact CG2-CG1 3.96Å; S393-V433 WeakPolarHBondContact OG-CG2 3.33Å; F394-V433 HydrophobicContact CE1-CB 4.4Å; F394-V433 HydrophobicContact CE1-CG1 4.2Å; F394-V433 HydrophobicContact CZ-CG1 4.09Å; K429-V433 WeakPolarHBondContact O-CG2 3.26Å; K429-V433 PolarHBondContact O-N 2.87Å; V433-N435 VanDerWaalsContact C-N 3.32Å; V433-N435 PolarHBondContact O-N 3.02Å; V433-L436 PolarHBondContact O-N 3.05Å; V433-A437 PolarHBondContact O-N 3.01Å
434A94.9Very high91.6Very high0 Ų045 Ų450%022%0.22CC..Hα-helixtrans-60.9-40.1176.300000112.6L430 I431 E432 C438 V450 L498 V502L430-A434 WeakPolarHBondContact O-CB 3.47Å; L430-A434 PolarHBondContact O-N 3.44Å; L430-A434 VanDerWaalsContact O-N 3.12Å; I431-A434 PolarHBondContact O-N 3.27Å; E432-A434 VanDerWaalsContact C-N 3.32Å; E432-A434 PolarHBondContact O-N 3.5Å; A434-C438 PolarHBondContact O-N 3.11Å; A434-C438 PolarHBondContact O-SG 3.48Å; A434-V450 HydrophobicContact CB-CG1 3.72Å; A434-L498 HydrophobicContact CB-CD1 3.75Å; A434-L498 HydrophobicContact CB-CD2 4.31Å; A434-L498 HydrophobicContact CB-CG 4.29Å; A434-V502 HydrophobicContact CB-CG2 3.82Å
435N92.4Very high90.7Very high70 Ų7043.9 Ų43.937%0.37422%0.22SC..Hα-helixtrans-71.8-35.9177.3-74.8-41.4000112.7I431 E432 V433 C438 S439I431-N435 WeakPolarHBondContact CG2-ND2 3.37Å; I431-N435 PolarHBondContact O-N 3.2Å; I431-N435 PolarHBondContact O-ND2 3.06Å; I431-N435 VanDerWaalsContact O-ND2 3.08Å; E432-N435 PolarHBondContact O-N 3.02Å; E432-N435 VanDerWaalsContact O-N 3.11Å; V433-N435 VanDerWaalsContact C-N 3.32Å; V433-N435 PolarHBondContact O-N 3.02Å; N435-C438 WeakPolarHBondContact O-CB 3.36Å; N435-C438 PolarHBondContact O-N 3.03Å; N435-S439 PolarHBondContact O-N 3.38Å
436L93.5Very high90.2Very high24 Ų2438.6 Ų38.613%0.12620%0.196CC..Hα-helixtrans-63.6-44.8173.2-70.2173.4000110.8M319 V386 H389 E432 V433 C438 S439M319-L436 HydrophobicContact CB-CD2 4.32Å; M319-L436 HydrophobicContact SD-CB 4.48Å; V386-L436 HydrophobicContact CG2-CB 4.44Å; H389-L436 VanDerWaalsContact CE1-CD1 3.49Å; H389-L436 WeakPolarHBondContact CE1-CD1 3.49Å; H389-L436 WeakPolarHBondContact ND1-CD1 3.49Å; E432-L436 HydrophobicContact CG-CD1 4.26Å; E432-L436 WeakPolarHBondContact O-CG 3.47Å; E432-L436 PolarHBondContact O-N 2.82Å; V433-L436 PolarHBondContact O-N 3.05Å; L436-C438 VanDerWaalsContact C-N 3.29Å; L436-C438 PolarHBondContact O-N 3.13Å; L436-S439 WeakPolarHBondContact O-CB 3.47Å; L436-S439 PolarHBondContact O-N 2.88Å; L436-S439 VanDerWaalsContact O-N 3.08Å; L436-S439 PolarHBondContact O-OG 2.9Å
437A93.4Very high89.9Confident2 Ų237 Ų372%0.01719%0.189CC..Hα-helixtrans-57.8-42.3172.400000112.1V386 V433 S439 I440 S441 V502 I505 T506V386-A437 HydrophobicContact CG1-CB 3.59Å; V433-A437 PolarHBondContact O-N 3.01Å; A437-S439 VanDerWaalsContact C-N 3.3Å; A437-S439 PolarHBondContact O-N 3.39Å; A437-I440 WeakPolarHBondContact O-CG1 3.32Å; A437-I440 PolarHBondContact O-N 2.9Å; A437-S441 PolarHBondContact O-N 3.24Å; A437-V502 HydrophobicContact CB-CG1 4.03Å; A437-I505 HydrophobicContact CB-CD1 3.93Å; A437-T506 HydrophobicContact CB-CG2 4.38Å
438C92.2Very high89.2Confident0 Ų039 Ų390%020%0.198CC..Hα-helixtrans-59.6-39.2174.9-71.90000112.9G276 A434 N435 L436 I440 S441 V447 V450G276-C438 WeakPolarHBondContact CA-O 3.32Å; A434-C438 PolarHBondContact O-N 3.11Å; A434-C438 PolarHBondContact O-SG 3.48Å; N435-C438 WeakPolarHBondContact O-CB 3.36Å; N435-C438 PolarHBondContact O-N 3.03Å; L436-C438 VanDerWaalsContact C-N 3.29Å; L436-C438 PolarHBondContact O-N 3.13Å; C438-I440 PolarHBondContact O-N 3.35Å; C438-S441 PolarHBondContact O-N 3.49Å; C438-V447 HydrophobicContact CB-CG1 3.95Å; C438-V447 HydrophobicContact CB-CG2 4.35Å; C438-V450 VanDerWaalsContact SG-CB 3.56Å; C438-V450 WeakPolarHBondContact SG-CG1 3.34Å
439S90.9Very high88.7Confident26 Ų2636.4 Ų36.418%0.18218%0.183CC..Hα-helixtrans-62.5-28.9-173.176.90000113.7G276 E277 L278 A279 N435 L436 A437G276-S439 CarbonylContact C-O 3.04Å; G276-S439 VanDerWaalsContact CA-O 3.3Å; G276-S439 WeakPolarHBondContact CA-O 3.35Å; E277-S439 PolarHBondContact N-O 2.79Å; L278-S439 WeakPolarHBondContact CA-O 3.42Å; L278-S439 WeakPolarHBondContact CB-O 3.41Å; L278-S439 PolarHBondContact N-O 3.23Å; A279-S439 PolarHBondContact N-O 2.99Å; N435-S439 PolarHBondContact O-N 3.38Å; L436-S439 WeakPolarHBondContact O-CB 3.47Å; L436-S439 PolarHBondContact O-N 2.88Å; L436-S439 VanDerWaalsContact O-N 3.08Å; L436-S439 PolarHBondContact O-OG 2.9Å; A437-S439 VanDerWaalsContact C-N 3.3Å; A437-S439 PolarHBondContact O-N 3.39Å
440I89.5Confident88.5Confident26 Ų2632 Ų3213%0.13316%0.164CC..Hα-helixtrans-107.2-2.8-176.258.6158.8000114.1L278 A279 M319 L382 R383 V386 A437 C438L278-I440 HydrophobicContact CB-CG2 4.49Å; L278-I440 HydrophobicContact CD2-CG2 3.96Å; L278-I440 HydrophobicContact CG-CG2 4.4Å; A279-I440 WeakPolarHBondContact CB-O 3.46Å; M319-I440 HydrophobicContact CE-CG2 4Å; L382-I440 HydrophobicContact CB-CG2 4.31Å; R383-I440 HydrophobicContact CB-CD1 4.38Å; R383-I440 HydrophobicContact CG-CD1 4.05Å; V386-I440 HydrophobicContact CB-CD1 3.79Å; V386-I440 HydrophobicContact CG1-CD1 4.33Å; V386-I440 HydrophobicContact CG2-CD1 3.33Å; V386-I440 HydrophobicContact CG2-CG1 3.89Å; A437-I440 WeakPolarHBondContact O-CG1 3.32Å; A437-I440 PolarHBondContact O-N 2.9Å; C438-I440 PolarHBondContact O-N 3.35Å
441S87.5Confident88.2Confident12 Ų1235.8 Ų35.88%0.08418%0.178CC..  trans-84.4142.3179.8-171.40000112.4G276 A279 A437 C438 N443 I505G276-S441 WeakPolarHBondContact CA-O 3.34Å; G276-S441 PolarHBondContact N-O 2.82Å; A279-S441 WeakPolarHBondContact CB-O 3.45Å; A437-S441 PolarHBondContact O-N 3.24Å; C438-S441 PolarHBondContact O-N 3.49Å; S441-N443 PolarHBondContact OG-N 3.4Å; S441-I505 PolarHBondContact OG-O 3.42Å
442N80.7Confident87.7Confident90 Ų9036.6 Ų36.648%0.48118%0.182SC..  trans-95.4-3171.1-63-61.8000112.6A279 N283 E444A279-N442 WeakPolarHBondContact CB-OD1 3.23Å; N283-N442 PolarHBondContact ND2-OD1 3.48Å; N442-E444 PolarHBondContact O-N 2.9Å
443N79Confident87.5Confident67 Ų6733.6 Ų33.636%0.35817%0.169SC..  trans-83.196.7-179.9-178.1-5.5000109.9S441 E445 G446 V447 D504 I505S441-N443 PolarHBondContact OG-N 3.4Å; N443-E445 PolarHBondContact O-N 3.47Å; N443-G446 PolarHBondContact O-N 3.45Å; N443-G446 PolarHBondContact OD1-N 3.26Å; N443-V447 WeakPolarHBondContact O-CB 3.33Å; N443-V447 VanDerWaalsContact O-CG2 3.26Å; N443-V447 WeakPolarHBondContact O-CG2 3.44Å; N443-V447 PolarHBondContact O-N 3.22Å; N443-D504 PolarHBondContact ND2-O 3.02Å; N443-I505 HydrophobicContact CB-CG2 4.27Å
444E79.7Confident87.3Confident103 Ų10333.8 Ų33.848%0.48117%0.17SC..Hα-helixtrans-63.8-44.4-172-54.2-161.815000113.5G274 A275 N442 V447 K448G274-E444 VanDerWaalsContact C-CB 3.44Å; G274-E444 VanDerWaalsContact C-CD 3.44Å; G274-E444 WeakPolarHBondContact CA-OE1 3.27Å; G274-E444 WeakPolarHBondContact O-CA 3.42Å; G274-E444 WeakPolarHBondContact O-CB 3.43Å; G274-E444 WeakPolarHBondContact O-CG 3.46Å; A275-E444 HydrophobicContact CB-CG 4.21Å; A275-E444 PolarHBondContact N-OE1 3.35Å; N442-E444 PolarHBondContact O-N 2.9Å; E444-V447 PolarHBondContact O-N 3.42Å; E444-K448 PolarHBondContact O-N 3.21Å
445E78.4Confident87Confident96 Ų9637 Ų3745%0.44919%0.192SC..Hα-helixtrans-65.9-42.5178.8-64.6-59.5145.800111.1N443 K448 L449N443-E445 PolarHBondContact O-N 3.47Å; E445-K448 WeakPolarHBondContact O-CB 3.44Å; E445-K448 PolarHBondContact O-N 2.98Å; E445-L449 WeakPolarHBondContact O-CG 3.38Å; E445-L449 PolarHBondContact O-N 3.47Å; E445-L449 VanDerWaalsContact O-N 3.13Å
446G84.4Confident86.8Confident4 Ų434.4 Ų34.44%0.04118%0.178CC..Hα-helixtrans-65-44.417700000113N443 K448 L449 V450N443-G446 PolarHBondContact O-N 3.45Å; N443-G446 PolarHBondContact OD1-N 3.26Å; G446-K448 PolarHBondContact O-N 3.34Å; G446-L449 WeakPolarHBondContact O-CB 3.49Å; G446-L449 PolarHBondContact O-N 3.03Å; G446-L449 VanDerWaalsContact O-N 3.08Å; G446-V450 WeakPolarHBondContact O-CG2 3.26Å; G446-V450 PolarHBondContact O-N 3.41Å
447V86.6Confident86.8Confident0 Ų033.2 Ų33.20%017%0.172CC..Hα-helixtrans-57.2-40.5176.91650000111.1C438 N443 E444 V450 R451C438-V447 HydrophobicContact CB-CG1 3.95Å; C438-V447 HydrophobicContact CB-CG2 4.35Å; N443-V447 WeakPolarHBondContact O-CB 3.33Å; N443-V447 VanDerWaalsContact O-CG2 3.26Å; N443-V447 WeakPolarHBondContact O-CG2 3.44Å; N443-V447 PolarHBondContact O-N 3.22Å; E444-V447 PolarHBondContact O-N 3.42Å; V447-V450 PolarHBondContact O-N 3.36Å; V447-R451 WeakPolarHBondContact O-CB 3.46Å; V447-R451 WeakPolarHBondContact O-CG 3.42Å; V447-R451 PolarHBondContact O-N 3.02Å
448K82.6Confident86.8Confident43 Ų4338.6 Ų38.619%0.18720%0.197CC..Hα-helixtrans-64-43.7176.5-175.9-175.4177.6-172.40112.2H202 D205 E444 E445 G446 M452H202-K448 PolarHBondContact O-NZ 2.82Å; D205-K448 VanDerWaalsContact CB-NZ 3.34Å; D205-K448 IonicContact OD2-NZ 2.67Å; D205-K448 PolarHBondContact OD2-NZ 3.34Å; E444-K448 PolarHBondContact O-N 3.21Å; E445-K448 WeakPolarHBondContact O-CB 3.44Å; E445-K448 PolarHBondContact O-N 2.98Å; G446-K448 PolarHBondContact O-N 3.34Å; K448-M452 VanDerWaalsContact O-CB 3.29Å; K448-M452 WeakPolarHBondContact O-CB 3.21Å; K448-M452 PolarHBondContact O-N 2.93Å
449L84.4Confident86.7Confident26 Ų2640.2 Ų40.214%0.13621%0.21CC..Hα-helixtrans-61.6-45.1176.9-69.3172.4000111.7E445 G446 M452 A453 P893 V894E445-L449 WeakPolarHBondContact O-CG 3.38Å; E445-L449 PolarHBondContact O-N 3.47Å; E445-L449 VanDerWaalsContact O-N 3.13Å; G446-L449 WeakPolarHBondContact O-CB 3.49Å; G446-L449 PolarHBondContact O-N 3.03Å; G446-L449 VanDerWaalsContact O-N 3.08Å; L449-M452 HydrophobicContact CD2-CE 3.85Å; L449-M452 PolarHBondContact O-N 3.15Å; L449-A453 WeakPolarHBondContact O-CB 3.45Å; L449-A453 PolarHBondContact O-N 2.87Å; L449-P893 HydrophobicContact CD1-CB 4.3Å; L449-V894 HydrophobicContact CD2-CG2 3.7Å
450V89.6Confident86.9Confident0 Ų039 Ų390%020%0.202CC..Hα-helixtrans-61.2-50.8177.5174.60000111.4A434 C438 G446 V447 M452 A453 A454 L498 A501 V502 I505A434-V450 HydrophobicContact CB-CG1 3.72Å; C438-V450 VanDerWaalsContact SG-CB 3.56Å; C438-V450 WeakPolarHBondContact SG-CG1 3.34Å; G446-V450 WeakPolarHBondContact O-CG2 3.26Å; G446-V450 PolarHBondContact O-N 3.41Å; V447-V450 PolarHBondContact O-N 3.36Å; V450-M452 PolarHBondContact O-N 3.11Å; V450-A453 PolarHBondContact O-N 3.3Å; V450-A453 VanDerWaalsContact O-N 3.16Å; V450-A454 WeakPolarHBondContact O-CB 3.43Å; V450-A454 PolarHBondContact O-N 3.46Å; V450-L498 HydrophobicContact CG1-CD1 4.18Å; V450-A501 HydrophobicContact CG2-CB 3.74Å; V450-A501 WeakPolarHBondContact CG2-O 3.25Å; V450-V502 HydrophobicContact CG1-CG2 3.69Å; V450-V502 HydrophobicContact CG2-CG2 4.03Å; V450-I505 HydrophobicContact CB-CD1 4.43Å; V450-I505 HydrophobicContact CG2-CD1 3.81Å; V450-I505 HydrophobicContact CG2-CG1 4.11Å; V450-I505 HydrophobicContact CG2-CG2 4.41Å
451R88.7Confident87.2Confident79 Ų7938 Ų3830%0.29820%0.197SC..Hα-helixtrans-58.5-37.9178.3-75.8175.1169.6173.4-8.8112.1E277 V447 S455E277-R451 IonicContact OE1-NH2 2.87Å; E277-R451 PolarHBondContact OE1-NH2 3.49Å; V447-R451 WeakPolarHBondContact O-CB 3.46Å; V447-R451 WeakPolarHBondContact O-CG 3.42Å; V447-R451 PolarHBondContact O-N 3.02Å; R451-S455 PolarHBondContact O-N 2.66Å
452M84.6Confident87.5Confident36 Ų3639.2 Ų39.218%0.17721%0.205CC..Hα-helixtrans-69-44.3176.9-173.1170.660.700112.2A209 K448 L449 V450 A454 S455 Q456 L897A209-M452 HydrophobicContact CB-CE 4.35Å; A209-M452 HydrophobicContact CB-CG 4.35Å; A209-M452 HydrophobicContact CB-SD 3.22Å; A209-M452 WeakPolarHBondContact CB-SD 3.23Å; K448-M452 VanDerWaalsContact O-CB 3.29Å; K448-M452 WeakPolarHBondContact O-CB 3.21Å; K448-M452 PolarHBondContact O-N 2.93Å; L449-M452 HydrophobicContact CD2-CE 3.85Å; L449-M452 PolarHBondContact O-N 3.15Å; V450-M452 PolarHBondContact O-N 3.11Å; M452-A454 VanDerWaalsContact C-N 3.32Å; M452-A454 PolarHBondContact O-N 2.78Å; M452-S455 PolarHBondContact O-N 2.86Å; M452-Q456 VanDerWaalsContact O-CG 3.32Å; M452-Q456 WeakPolarHBondContact O-CG 3.5Å; M452-Q456 PolarHBondContact O-N 2.69Å; M452-Q456 VanDerWaalsContact O-N 3.08Å; M452-L897 HydrophobicContact CE-CD1 3.28Å
453A89.3Confident88.1Confident2 Ų235 Ų352%0.01718%0.182CC..Hα-helixtrans-62.5-39.9175.400000111.7L449 V450 Q456 L457 Q494 V497 L498L449-A453 WeakPolarHBondContact O-CB 3.45Å; L449-A453 PolarHBondContact O-N 2.87Å; V450-A453 PolarHBondContact O-N 3.3Å; V450-A453 VanDerWaalsContact O-N 3.16Å; A453-Q456 PolarHBondContact O-N 3.32Å; A453-L457 PolarHBondContact O-N 3.04Å; A453-Q494 PolarHBondContact O-NE2 2.88Å; A453-V497 HydrophobicContact CB-CG1 4.14Å; A453-L498 HydrophobicContact CB-CB 4.21Å; A453-L498 HydrophobicContact CB-CD1 3.85Å
454A91.9Very high88.9Confident3 Ų331.8 Ų31.83%0.02517%0.165CC..Hα-helixtrans-64.2-46.7177.600000111.9I431 V450 M452 Q456 L457 E458 L498I431-A454 HydrophobicContact CG1-CB 4.42Å; I431-A454 HydrophobicContact CG2-CB 4.27Å; V450-A454 WeakPolarHBondContact O-CB 3.43Å; V450-A454 PolarHBondContact O-N 3.46Å; M452-A454 VanDerWaalsContact C-N 3.32Å; M452-A454 PolarHBondContact O-N 2.78Å; A454-Q456 VanDerWaalsContact C-N 3.32Å; A454-Q456 PolarHBondContact O-N 3.45Å; A454-L457 WeakPolarHBondContact O-CB 3.38Å; A454-L457 PolarHBondContact O-N 2.81Å; A454-L457 VanDerWaalsContact O-N 3.15Å; A454-E458 PolarHBondContact O-N 2.7Å; A454-L498 HydrophobicContact CB-CD1 4.04Å
455S88.6Confident89.7Confident68 Ų6827.1 Ų27.148%0.47614%0.143SC..Hα-helixtrans-62.1-37.8175.8-179.90000112.5R451 M452 E458 A459R451-S455 PolarHBondContact O-N 2.66Å; M452-S455 PolarHBondContact O-N 2.86Å; S455-E458 PolarHBondContact O-N 3.27Å; S455-A459 WeakPolarHBondContact O-CB 3.45Å; S455-A459 PolarHBondContact O-N 3.12Å
456Q88.1Confident90.3Very high15 Ų1524 Ų247%0.0713%0.129CC..Hα-helixtrans-66.3-37.4174.5-72.2174.110.200112.4M452 A453 A454 A459 L460 Q494 L897M452-Q456 VanDerWaalsContact O-CG 3.32Å; M452-Q456 WeakPolarHBondContact O-CG 3.5Å; M452-Q456 PolarHBondContact O-N 2.69Å; M452-Q456 VanDerWaalsContact O-N 3.08Å; A453-Q456 PolarHBondContact O-N 3.32Å; A454-Q456 VanDerWaalsContact C-N 3.32Å; A454-Q456 PolarHBondContact O-N 3.45Å; Q456-A459 PolarHBondContact O-N 3.34Å; Q456-L460 WeakPolarHBondContact O-CB 3.21Å; Q456-L460 PolarHBondContact O-N 2.73Å; Q456-L460 VanDerWaalsContact O-N 3.09Å; Q456-Q494 HydrophobicContact CB-CG 4.49Å; Q456-L897 VanDerWaalsContact OE1-CD2 3.31Å
457L93Very high90.7Very high0 Ų023.9 Ų23.90%013%0.128CC..Hα-helixtrans-67.8-43.8176.3-167.868.6000111.3L430 I431 A453 A454 A459 L460 C461 W491 Q494 V495 L498L430-L457 HydrophobicContact CB-CD2 4.4Å; L430-L457 HydrophobicContact CD1-CD2 4.36Å; I431-L457 HydrophobicContact CG1-CD2 4.38Å; A453-L457 PolarHBondContact O-N 3.04Å; A454-L457 WeakPolarHBondContact O-CB 3.38Å; A454-L457 PolarHBondContact O-N 2.81Å; A454-L457 VanDerWaalsContact O-N 3.15Å; L457-A459 VanDerWaalsContact C-N 3.29Å; L457-A459 PolarHBondContact O-N 3.41Å; L457-L460 PolarHBondContact O-N 3.3Å; L457-L460 VanDerWaalsContact O-N 3.13Å; L457-C461 PolarHBondContact O-N 3.26Å; L457-W491 HydrophobicContact CD1-CD2 4.13Å; L457-W491 HydrophobicContact CD1-CE3 3.73Å; L457-W491 HydrophobicContact CD1-CH2 3.55Å; L457-W491 HydrophobicContact CD1-CZ2 3.98Å; L457-W491 HydrophobicContact CD1-CZ3 3.42Å; L457-W491 VanDerWaalsContact CD1-CZ3 3.42Å; L457-W491 HydrophobicContact CD2-CH2 4.27Å; L457-W491 HydrophobicContact CG-CH2 3.71Å; L457-W491 HydrophobicContact CG-CZ2 4.38Å; L457-W491 HydrophobicContact CG-CZ3 3.87Å; L457-Q494 HydrophobicContact CB-CG 4.06Å; L457-Q494 HydrophobicContact CD1-CB 3.96Å; L457-Q494 HydrophobicContact CD1-CG 3.7Å; L457-V495 HydrophobicContact CD1-CG2 3.71Å; L457-V495 HydrophobicContact CD2-CG2 4.28Å; L457-L498 HydrophobicContact CD2-CD2 3.59Å
458E94.3Very high91.2Very high115 Ų11523.9 Ų23.954%0.53713%0.128SC..Hα-helixtrans-55.4-45.7174-170.9-177.1-161.400111.2I431 A454 S455 L460 P462I431-E458 HydrophobicContact CD1-CB 3.75Å; I431-E458 HydrophobicContact CD1-CG 4.32Å; A454-E458 PolarHBondContact O-N 2.7Å; S455-E458 PolarHBondContact O-N 3.27Å; E458-L460 VanDerWaalsContact C-N 3.31Å; E458-L460 PolarHBondContact O-N 2.88Å; E458-P462 WeakPolarHBondContact O-CD 3.24Å
459A90.1Very high91.7Very high34 Ų3423.8 Ų23.828%0.28113%0.129SC..Hα-helixtrans-72.5-23.1-179.100000113.4Q247 S455 Q456 L457 Q463Q247-A459 VanDerWaalsContact NE2-CB 3.34Å; Q247-A459 PolarHBondContact NE2-O 3.05Å; Q247-A459 VanDerWaalsContact NE2-O 3.07Å; S455-A459 WeakPolarHBondContact O-CB 3.45Å; S455-A459 PolarHBondContact O-N 3.12Å; Q456-A459 PolarHBondContact O-N 3.34Å; L457-A459 VanDerWaalsContact C-N 3.29Å; L457-A459 PolarHBondContact O-N 3.41Å; A459-Q463 PolarHBondContact O-NE2 2.7Å
460L93.2Very high91.9Very high0 Ų022.5 Ų22.50%012%0.123CC..Hα-helixtrans-84.6-35.7178.3-177.862.5000112.4M220 Q456 L457 E458 Q463 V464 F487 Q490 W491 Q494M220-L460 HydrophobicContact CE-CD1 4.05Å; Q456-L460 WeakPolarHBondContact O-CB 3.21Å; Q456-L460 PolarHBondContact O-N 2.73Å; Q456-L460 VanDerWaalsContact O-N 3.09Å; L457-L460 PolarHBondContact O-N 3.3Å; L457-L460 VanDerWaalsContact O-N 3.13Å; E458-L460 VanDerWaalsContact C-N 3.31Å; E458-L460 PolarHBondContact O-N 2.88Å; L460-Q463 WeakPolarHBondContact O-CB 3.43Å; L460-Q463 PolarHBondContact O-N 3.4Å; L460-V464 HydrophobicContact CD1-CG2 4.37Å; L460-V464 HydrophobicContact CG-CG2 4.09Å; L460-V464 PolarHBondContact O-N 3.39Å; L460-F487 HydrophobicContact CD1-CD1 4.17Å; L460-F487 HydrophobicContact CD1-CE1 4.39Å; L460-Q490 HydrophobicContact CD1-CG 4.14Å; L460-Q490 HydrophobicContact CD2-CG 3.97Å; L460-W491 HydrophobicContact CD2-CB 4.48Å; L460-W491 HydrophobicContact CD2-CE3 3.99Å; L460-W491 HydrophobicContact CG-CE3 4.1Å; L460-Q494 HydrophobicContact CD2-CB 3.96Å; L460-Q494 HydrophobicContact CD2-CG 4.4Å
461C95.8Very high92.1Very high6 Ų622.6 Ų22.64%0.04112%0.123CC..Hα-helixtrans-46.3-53.2-178.3-179.50000114.4A427 L457 Q463 V464 I465 W491A427-C461 HydrophobicContact CB-CB 4.42Å; L457-C461 PolarHBondContact O-N 3.26Å; C461-Q463 PolarHBondContact O-N 2.89Å; C461-V464 PolarHBondContact O-N 3.32Å; C461-I465 WeakPolarHBondContact O-CG1 3.28Å; C461-I465 PolarHBondContact O-N 3.32Å; C461-W491 HydrophobicContact CB-CH2 4.16Å; C461-W491 HydrophobicContact CB-CZ3 3.85Å
462P94.8Very high92.4Very high37 Ų3719 Ų1924%0.2411%0.11CC..Hα-helixtrans-65.9-25.4179.925.8-34.9000113.4L243 E458 N466L243-P462 HydrophobicContact CD1-CB 4.35Å; L243-P462 HydrophobicContact CD1-CG 4.16Å; E458-P462 WeakPolarHBondContact O-CD 3.24Å; P462-N466 WeakPolarHBondContact O-CB 2.99Å; P462-N466 PolarHBondContact O-N 3.1Å; P462-N466 PolarHBondContact O-ND2 2.98Å
463Q93.3Very high92.7Very high0 Ų018.8 Ų18.80%011%0.114CC..Hα-helixtrans-74.3-39.1179.4-60.4175.857.400111.9N240 L243 Q247 A459 L460 C461 I465 N466 A467 F487N240-Q463 WeakPolarHBondContact OD1-CA 3.26Å; N240-Q463 WeakPolarHBondContact OD1-CB 3.17Å; N240-Q463 WeakPolarHBondContact OD1-CG 3.48Å; N240-Q463 PolarHBondContact OD1-O 3.03Å; L243-Q463 HydrophobicContact CD1-CG 4.25Å; L243-Q463 HydrophobicContact CD2-CG 3.95Å; Q247-Q463 VanDerWaalsContact CD-NE2 3.28Å; A459-Q463 PolarHBondContact O-NE2 2.7Å; L460-Q463 WeakPolarHBondContact O-CB 3.43Å; L460-Q463 PolarHBondContact O-N 3.4Å; C461-Q463 PolarHBondContact O-N 2.89Å; Q463-I465 VanDerWaalsContact C-N 3.34Å; Q463-N466 PolarHBondContact O-N 3.02Å; Q463-A467 WeakPolarHBondContact O-CB 3.48Å; Q463-A467 PolarHBondContact O-N 3.27Å; Q463-F487 HydrophobicContact CB-CD1 4.03Å; Q463-F487 HydrophobicContact CB-CE1 3.44Å; Q463-F487 VanDerWaalsContact CB-CE1 3.44Å; Q463-F487 HydrophobicContact CB-CZ 4.21Å; Q463-F487 HydrophobicContact CG-CE1 4.43Å
464V96Very high92.8Very high0 Ų021.8 Ų21.80%013%0.127CC..Hα-helixtrans-60.5-45.9172.5175.80000110.2L401 F423 L460 C461 N466 A467 A468 M484 F487 W491L401-V464 HydrophobicContact CD1-CG1 3.48Å; L401-V464 VanDerWaalsContact CD1-CG1 3.48Å; F423-V464 HydrophobicContact CE1-CB 4.08Å; F423-V464 HydrophobicContact CE1-CG1 3.91Å; F423-V464 HydrophobicContact CZ-CB 4.22Å; F423-V464 HydrophobicContact CZ-CG1 3.82Å; L460-V464 HydrophobicContact CD1-CG2 4.37Å; L460-V464 HydrophobicContact CG-CG2 4.09Å; L460-V464 PolarHBondContact O-N 3.39Å; C461-V464 PolarHBondContact O-N 3.32Å; V464-N466 PolarHBondContact O-N 3.33Å; V464-A467 PolarHBondContact O-N 3.45Å; V464-A468 PolarHBondContact O-N 2.98Å; V464-M484 HydrophobicContact CG1-CE 3.97Å; V464-F487 HydrophobicContact CG2-CB 4.28Å; V464-F487 HydrophobicContact CG2-CD1 4.28Å; V464-W491 HydrophobicContact CG2-CB 4.21Å; V464-W491 HydrophobicContact CG2-CE3 3.99Å
465I95.6Very high92.9Very high6 Ų623.1 Ų23.13%0.03114%0.135CC..Hα-helixtrans-60.7-44.5176.5-66.5168.1000111.1A420 F423 R424 C461 Q463 A467 A468 L469A420-I465 HydrophobicContact CB-CB 4.49Å; A420-I465 HydrophobicContact CB-CD1 4.32Å; A420-I465 HydrophobicContact CB-CG1 4.1Å; A420-I465 HydrophobicContact CB-CG2 3.67Å; F423-I465 HydrophobicContact CD1-CD1 4.11Å; F423-I465 HydrophobicContact CD1-CG1 3.81Å; F423-I465 HydrophobicContact CE1-CG1 4.15Å; R424-I465 HydrophobicContact CB-CD1 4.21Å; C461-I465 WeakPolarHBondContact O-CG1 3.28Å; C461-I465 PolarHBondContact O-N 3.32Å; Q463-I465 VanDerWaalsContact C-N 3.34Å; I465-A467 VanDerWaalsContact C-N 3.33Å; I465-A467 PolarHBondContact O-N 2.84Å; I465-A468 PolarHBondContact O-N 3.5Å; I465-L469 HydrophobicContact CG2-CD1 4.01Å; I465-L469 HydrophobicContact CG2-CG 4.41Å; I465-L469 WeakPolarHBondContact O-CG 3.08Å; I465-L469 PolarHBondContact O-N 3.12Å
466N92.4Very high93.1Very high30 Ų3027.2 Ų27.216%0.1615%0.152CC..Hα-helixtrans-65-36.9178.3-72-22.5000112.3N240 P462 Q463 V464 A470N240-N466 HydrophobicContact CB-CB 3.92Å; P462-N466 WeakPolarHBondContact O-CB 2.99Å; P462-N466 PolarHBondContact O-N 3.1Å; P462-N466 PolarHBondContact O-ND2 2.98Å; Q463-N466 PolarHBondContact O-N 3.02Å; V464-N466 PolarHBondContact O-N 3.33Å; N466-A470 VanDerWaalsContact O-CB 3.25Å; N466-A470 WeakPolarHBondContact O-CB 3.21Å; N466-A470 PolarHBondContact O-N 2.99Å
467A93.1Very high93.3Very high1 Ų127.3 Ų27.31%0.00815%0.154CC..Hα-helixtrans-63.8-42.3174.200000111.5Q463 V464 I465 A470 L471 M484 F487Q463-A467 WeakPolarHBondContact O-CB 3.48Å; Q463-A467 PolarHBondContact O-N 3.27Å; V464-A467 PolarHBondContact O-N 3.45Å; I465-A467 VanDerWaalsContact C-N 3.33Å; I465-A467 PolarHBondContact O-N 2.84Å; A467-A470 PolarHBondContact O-N 2.9Å; A467-L471 WeakPolarHBondContact O-CB 3.45Å; A467-L471 PolarHBondContact O-N 3.32Å; A467-M484 HydrophobicContact CB-CE 4.48Å; A467-M484 HydrophobicContact CB-SD 3.71Å; A467-F487 HydrophobicContact CB-CB 4.2Å; A467-F487 HydrophobicContact CB-CD2 3.56Å; A467-F487 HydrophobicContact CB-CE2 4.22Å; A467-F487 HydrophobicContact CB-CG 3.96Å
468A95.6Very high93.3Very high0 Ų033.2 Ų33.20%018%0.18CC..Hα-helixtrans-65.3-46.2176.700000112.2L404 A408 V416 V464 I465 A470 L471 A472 M484L404-A468 HydrophobicContact CD1-CB 4.04Å; L404-A468 HydrophobicContact CD2-CB 4.09Å; L404-A468 HydrophobicContact CG-CB 3.84Å; A408-A468 HydrophobicContact CB-CB 4.22Å; A408-A468 VanDerWaalsContact CB-O 3.31Å; A408-A468 WeakPolarHBondContact CB-O 3.49Å; V416-A468 HydrophobicContact CG1-CB 4.17Å; V464-A468 PolarHBondContact O-N 2.98Å; I465-A468 PolarHBondContact O-N 3.5Å; A468-A470 PolarHBondContact O-N 3.23Å; A468-L471 PolarHBondContact O-N 3.01Å; A468-A472 WeakPolarHBondContact O-CB 3.36Å; A468-A472 PolarHBondContact O-N 2.74Å; A468-M484 HydrophobicContact CB-SD 3.99Å; A468-M484 PolarHBondContact N-SD 3.28Å; A468-M484 VanDerWaalsContact N-SD 3.41Å
469L92.6Very high93Very high41 Ų4129.1 Ų29.122%0.21516%0.163CC..Hα-helixtrans-58.6-39.2175.3-75.4170.3000112.1A236 V416 K417 I465 A472 A473A236-L469 HydrophobicContact CB-CB 4.24Å; V416-L469 HydrophobicContact CG1-CD2 3.72Å; V416-L469 HydrophobicContact CG1-CG 4.1Å; K417-L469 HydrophobicContact CG-CD2 3.78Å; I465-L469 HydrophobicContact CG2-CD1 4.01Å; I465-L469 HydrophobicContact CG2-CG 4.41Å; I465-L469 WeakPolarHBondContact O-CG 3.08Å; I465-L469 PolarHBondContact O-N 3.12Å; L469-A472 WeakPolarHBondContact O-CB 3.39Å; L469-A472 PolarHBondContact O-N 3.43Å; L469-A473 PolarHBondContact O-N 2.95Å; L469-A473 VanDerWaalsContact O-N 3.16Å
470A89.8Confident93Very high0 Ų027.5 Ų27.50%015%0.149CC..Hα-helixtrans-74.6-36.4-179.100000112.2V234 A236 Y237 N466 A467 A468 A472 A473 K474V234-A470 HydrophobicContact CG1-CB 4Å; A236-A470 HydrophobicContact CB-CB 3.97Å; Y237-A470 HydrophobicContact CD1-CB 3.42Å; Y237-A470 VanDerWaalsContact CD1-CB 3.42Å; Y237-A470 HydrophobicContact CD2-CB 4.05Å; Y237-A470 HydrophobicContact CE1-CB 3.08Å; Y237-A470 HydrophobicContact CE2-CB 3.73Å; Y237-A470 HydrophobicContact CG-CB 3.87Å; Y237-A470 PolarHBondContact OH-O 3.38Å; N466-A470 VanDerWaalsContact O-CB 3.25Å; N466-A470 WeakPolarHBondContact O-CB 3.21Å; N466-A470 PolarHBondContact O-N 2.99Å; A467-A470 PolarHBondContact O-N 2.9Å; A468-A470 PolarHBondContact O-N 3.23Å; A470-A472 VanDerWaalsContact C-N 3.34Å; A470-A473 PolarHBondContact O-N 3.47Å; A470-K474 PolarHBondContact O-N 3.44Å
471L94.1Very high93Very high1 Ų130.8 Ų30.81%0.00517%0.165CC..Hα-helixtrans-61.8-41.9168.9177.762.9000111.5A408 K409 A467 A468 A473 K474 P475 A480 Q481 M484A408-L471 HydrophobicContact CB-CB 4.19Å; A408-L471 HydrophobicContact CB-CD2 3.98Å; A408-L471 HydrophobicContact CB-CG 4.13Å; K409-L471 HydrophobicContact CG-CD2 4.07Å; A467-L471 WeakPolarHBondContact O-CB 3.45Å; A467-L471 PolarHBondContact O-N 3.32Å; A468-L471 PolarHBondContact O-N 3.01Å; L471-A473 VanDerWaalsContact C-N 3.27Å; L471-A473 PolarHBondContact O-N 3.1Å; L471-K474 CarbonylContact O-C 3.18Å; L471-K474 PolarHBondContact O-N 3.39Å; L471-P475 WeakPolarHBondContact O-CA 3.46Å; L471-P475 WeakPolarHBondContact O-CD 3.26Å; L471-A480 HydrophobicContact CD1-CB 3.75Å; L471-Q481 HydrophobicContact CD1-CG 3.81Å; L471-M484 HydrophobicContact CD2-CB 3.89Å; L471-M484 HydrophobicContact CD2-CG 3.87Å
472A94.7Very high92.8Very high3 Ų333.6 Ų33.63%0.02518%0.179CC..Hα-helixtrans-59.8-37.3176.900000112.8A408 G411 E413 V416 A468 L469 A470 K474A408-A472 HydrophobicContact CB-CB 4.32Å; A408-A472 WeakPolarHBondContact O-CA 3.48Å; G411-A472 WeakPolarHBondContact CA-O 3.4Å; E413-A472 HydrophobicContact CG-CB 4.06Å; V416-A472 HydrophobicContact CB-CB 4.35Å; V416-A472 HydrophobicContact CG1-CB 4.45Å; V416-A472 HydrophobicContact CG2-CB 3.87Å; A468-A472 WeakPolarHBondContact O-CB 3.36Å; A468-A472 PolarHBondContact O-N 2.74Å; L469-A472 WeakPolarHBondContact O-CB 3.39Å; L469-A472 PolarHBondContact O-N 3.43Å; A470-A472 VanDerWaalsContact C-N 3.34Å; A472-K474 VanDerWaalsContact C-N 3.34Å
473A91Very high92.6Very high33 Ų3331.9 Ų31.927%0.27317%0.168SC..Hα-helixtrans-70.6-28.8176.300000112.9V234 L469 A470 L471V234-A473 HydrophobicContact CG1-CB 4.25Å; V234-A473 HydrophobicContact CG2-CB 4.15Å; L469-A473 PolarHBondContact O-N 2.95Å; L469-A473 VanDerWaalsContact O-N 3.16Å; A470-A473 PolarHBondContact O-N 3.47Å; L471-A473 VanDerWaalsContact C-N 3.27Å; L471-A473 PolarHBondContact O-N 3.1Å
474K91.8Very high92.7Very high64 Ų6431.9 Ų31.928%0.27817%0.168SC..SBendtrans-13964.9-176.6-56.3-69.4-179-175.20111.6D233 V234 A470 L471 A472 N476 S477D233-K474 IonicContact OD1-NZ 2.69Å; D233-K474 WeakPolarHBondContact OD2-CE 3.45Å; D233-K474 IonicContact OD2-NZ 3.03Å; D233-K474 PolarHBondContact OD2-NZ 3.14Å; V234-K474 HydrophobicContact CG2-CG 4.1Å; A470-K474 PolarHBondContact O-N 3.44Å; L471-K474 CarbonylContact O-C 3.18Å; L471-K474 PolarHBondContact O-N 3.39Å; A472-K474 VanDerWaalsContact C-N 3.34Å; K474-N476 VanDerWaalsContact C-N 3.27Å; K474-N476 PolarHBondContact O-N 3.11Å; K474-S477 WeakPolarHBondContact O-CB 3.49Å; K474-S477 PolarHBondContact O-N 3.19Å
475P93.1Very high92.6Very high31 Ų3135.1 Ų35.120%0.20119%0.186CC..THydrogen-bonded Turntrans-65.3-29.2-168.923.3-34.1000113.7K409 L471 S477 Q481K409-P475 VanDerWaalsContact O-CB 3.31Å; K409-P475 WeakPolarHBondContact O-CB 3.36Å; L471-P475 WeakPolarHBondContact O-CA 3.46Å; L471-P475 WeakPolarHBondContact O-CD 3.26Å; P475-S477 VanDerWaalsContact C-N 3.33Å; P475-Q481 PolarHBondContact O-NE2 2.95Å
476N93.1Very high92.4Very high155 Ų15537.4 Ų37.483%0.82920%0.199SC*.THydrogen-bonded Turntrans-84.5-3.9179.1-63.2-36.7000113.7K474 K478K474-N476 VanDerWaalsContact C-N 3.27Å; K474-N476 PolarHBondContact O-N 3.11Å; N476-K478 PolarHBondContact O-N 2.92Å
477S92.2Very high92.5Very high16 Ų1636 Ų3611%0.11219%0.192CC..  trans-77.6121.3179.7177.40000110.4H231 K474 P475 V479 A480 Q481H231-S477 WeakPolarHBondContact NE2-CB 3.37Å; H231-S477 PolarHBondContact NE2-OG 2.97Å; K474-S477 WeakPolarHBondContact O-CB 3.49Å; K474-S477 PolarHBondContact O-N 3.19Å; P475-S477 VanDerWaalsContact C-N 3.33Å; S477-V479 VanDerWaalsContact C-N 3.28Å; S477-V479 PolarHBondContact O-N 3.36Å; S477-A480 WeakPolarHBondContact O-CB 3.45Å; S477-A480 PolarHBondContact O-N 3.06Å; S477-A480 VanDerWaalsContact O-N 3.1Å; S477-A480 PolarHBondContact OG-N 3.31Å; S477-Q481 WeakPolarHBondContact O-CG 3.46Å; S477-Q481 PolarHBondContact O-N 2.87Å; S477-Q481 VanDerWaalsContact O-N 3.07Å
478K92.1Very high92.6Very high124 Ų12438.1 Ų38.154%0.53920%0.201SC..Hα-helixtrans-59.6-39.4177-174.151.4176.2152.60112.3N476 A480 Q481 D482N476-K478 PolarHBondContact O-N 2.92Å; K478-A480 VanDerWaalsContact C-N 3.32Å; K478-A480 PolarHBondContact O-N 3.15Å; K478-Q481 PolarHBondContact O-N 3.39Å; K478-D482 WeakPolarHBondContact CE-OD1 3.46Å; K478-D482 IonicContact NZ-OD1 2.73Å; K478-D482 PolarHBondContact NZ-OD1 3.35Å; K478-D482 WeakPolarHBondContact O-CB 3.38Å; K478-D482 PolarHBondContact O-N 2.84Å
479V88.9Confident92.5Very high30 Ų3041.6 Ų41.618%0.18222%0.22CC..Hα-helixtrans-66.2-34.4176.7175.10000112.2C226 A227 Q230 S477 N483C226-V479 HydrophobicContact CB-CG1 4.25Å; A227-V479 HydrophobicContact CB-CG1 3.86Å; Q230-V479 VanDerWaalsContact CD-CG2 3.48Å; Q230-V479 VanDerWaalsContact OE1-CB 3.29Å; S477-V479 VanDerWaalsContact C-N 3.28Å; S477-V479 PolarHBondContact O-N 3.36Å; V479-N483 WeakPolarHBondContact O-CB 3.49Å; V479-N483 PolarHBondContact O-N 2.96Å
480A89.3Confident92.4Very high0 Ų040.2 Ų40.20%021%0.212CC..Hα-helixtrans-65.1-43.717400000111.9Y237 L471 S477 K478 M484Y237-A480 WeakPolarHBondContact OH-CA 3.37Å; Y237-A480 WeakPolarHBondContact OH-CB 3.38Å; L471-A480 HydrophobicContact CD1-CB 3.75Å; S477-A480 WeakPolarHBondContact O-CB 3.45Å; S477-A480 PolarHBondContact O-N 3.06Å; S477-A480 VanDerWaalsContact O-N 3.1Å; S477-A480 PolarHBondContact OG-N 3.31Å; K478-A480 VanDerWaalsContact C-N 3.32Å; K478-A480 PolarHBondContact O-N 3.15Å; A480-M484 PolarHBondContact O-N 3.49Å
481Q93.2Very high92.7Very high68 Ų6840.2 Ų40.232%0.31821%0.212SC..Hα-helixtrans-63.7-50.8177.1-66.1171.611.900110.8L471 P475 S477 K478 N483 M484 D485L471-Q481 HydrophobicContact CD1-CG 3.81Å; P475-Q481 PolarHBondContact O-NE2 2.95Å; S477-Q481 WeakPolarHBondContact O-CG 3.46Å; S477-Q481 PolarHBondContact O-N 2.87Å; S477-Q481 VanDerWaalsContact O-N 3.07Å; K478-Q481 PolarHBondContact O-N 3.39Å; Q481-N483 VanDerWaalsContact C-N 3.29Å; Q481-N483 PolarHBondContact O-N 3.02Å; Q481-M484 PolarHBondContact O-N 3.39Å; Q481-M484 VanDerWaalsContact O-N 3.08Å; Q481-D485 PolarHBondContact O-N 3.44Å
482D91.7Very high92.7Very high65 Ų6542.7 Ų42.735%0.34822%0.224SC..Hα-helixtrans-61.4-38.6179.5-65.6-16.6000111.5K478 D485 V486K478-D482 WeakPolarHBondContact CE-OD1 3.46Å; K478-D482 IonicContact NZ-OD1 2.73Å; K478-D482 PolarHBondContact NZ-OD1 3.35Å; K478-D482 WeakPolarHBondContact O-CB 3.38Å; K478-D482 PolarHBondContact O-N 2.84Å; D482-D485 PolarHBondContact O-N 3.19Å; D482-V486 WeakPolarHBondContact O-CG2 3.42Å; D482-V486 PolarHBondContact O-N 2.9Å; D482-V486 VanDerWaalsContact O-N 3.16Å
483N91.3Very high92.6Very high1 Ų146.6 Ų46.61%0.00524%0.24CC..Hα-helixtrans-63.7-45.4174.2-178.279.4000111.1V479 Q481 D485 V486 F487V479-N483 WeakPolarHBondContact O-CB 3.49Å; V479-N483 PolarHBondContact O-N 2.96Å; Q481-N483 VanDerWaalsContact C-N 3.29Å; Q481-N483 PolarHBondContact O-N 3.02Å; N483-D485 PolarHBondContact O-N 3.4Å; N483-V486 PolarHBondContact O-N 2.9Å; N483-F487 WeakPolarHBondContact O-CD2 3.3Å; N483-F487 PolarHBondContact O-N 3.42Å
484M94.5Very high92.6Very high1 Ų145.2 Ų45.21%0.00523%0.228CC..Hα-helixtrans-62.3-41.4177.8-170.262.7-122.800112.1L401 I405 V464 A467 A468 L471 A480 Q481 V486 F487 K488L401-M484 HydrophobicContact CD1-CE 4.37Å; I405-M484 HydrophobicContact CD1-CE 3.76Å; I405-M484 HydrophobicContact CD1-CG 4.46Å; I405-M484 HydrophobicContact CG1-CE 3.67Å; I405-M484 HydrophobicContact CG1-CG 4.12Å; I405-M484 HydrophobicContact CG1-SD 4.25Å; I405-M484 HydrophobicContact CG2-CG 4.38Å; V464-M484 HydrophobicContact CG1-CE 3.97Å; A467-M484 HydrophobicContact CB-CE 4.48Å; A467-M484 HydrophobicContact CB-SD 3.71Å; A468-M484 HydrophobicContact CB-SD 3.99Å; A468-M484 PolarHBondContact N-SD 3.28Å; A468-M484 VanDerWaalsContact N-SD 3.41Å; L471-M484 HydrophobicContact CD2-CB 3.89Å; L471-M484 HydrophobicContact CD2-CG 3.87Å; A480-M484 PolarHBondContact O-N 3.49Å; Q481-M484 PolarHBondContact O-N 3.39Å; Q481-M484 VanDerWaalsContact O-N 3.08Å; M484-V486 VanDerWaalsContact C-N 3.33Å; M484-V486 PolarHBondContact O-N 2.94Å; M484-F487 HydrophobicContact CE-CB 4.19Å; M484-F487 PolarHBondContact O-N 2.83Å; M484-F487 VanDerWaalsContact O-N 3.14Å; M484-K488 WeakPolarHBondContact O-CB 3.4Å; M484-K488 PolarHBondContact O-N 2.88Å
485D93.7Very high92.8Very high68 Ų6842.3 Ų42.336%0.36422%0.216SC..Hα-helixtrans-61.2-41.2178-71.2-26000111.7Q481 D482 N483 F487 K488 D489Q481-D485 PolarHBondContact O-N 3.44Å; D482-D485 PolarHBondContact O-N 3.19Å; N483-D485 PolarHBondContact O-N 3.4Å; D485-F487 VanDerWaalsContact C-N 3.33Å; D485-F487 PolarHBondContact O-N 3.19Å; D485-K488 PolarHBondContact O-N 3.17Å; D485-D489 PolarHBondContact O-N 3.44Å
486V92.3Very high92.7Very high53 Ų5348.2 Ų48.232%0.32123%0.234SC..Hα-helixtrans-59.9-42.3174.2170.40000111.6M220 D482 N483 M484 Q490M220-V486 HydrophobicContact CG-CG1 3.97Å; D482-V486 WeakPolarHBondContact O-CG2 3.42Å; D482-V486 PolarHBondContact O-N 2.9Å; D482-V486 VanDerWaalsContact O-N 3.16Å; N483-V486 PolarHBondContact O-N 2.9Å; M484-V486 VanDerWaalsContact C-N 3.33Å; M484-V486 PolarHBondContact O-N 2.94Å; V486-Q490 VanDerWaalsContact O-CB 3.27Å; V486-Q490 WeakPolarHBondContact O-CB 3.43Å; V486-Q490 PolarHBondContact O-N 2.96Å; V486-Q490 VanDerWaalsContact O-N 3.11Å
487F93.7Very high92.6Very high0 Ų042 Ų420%020%0.201CC..Hα-helixtrans-71.8-35.9178.1-82-76.1000113M220 N240 I244 L460 Q463 V464 A467 N483 M484 D485 Q490 W491M220-F487 HydrophobicContact CE-CD1 3.5Å; M220-F487 HydrophobicContact CE-CE1 2.99Å; M220-F487 HydrophobicContact CE-CE2 4.44Å; M220-F487 HydrophobicContact CE-CG 4.4Å; M220-F487 HydrophobicContact CE-CZ 3.52Å; N240-F487 WeakPolarHBondContact ND2-CE2 3.28Å; N240-F487 WeakPolarHBondContact ND2-CZ 3.36Å; I244-F487 HydrophobicContact CD1-CZ 3.89Å; L460-F487 HydrophobicContact CD1-CD1 4.17Å; L460-F487 HydrophobicContact CD1-CE1 4.39Å; Q463-F487 HydrophobicContact CB-CD1 4.03Å; Q463-F487 HydrophobicContact CB-CE1 3.44Å; Q463-F487 VanDerWaalsContact CB-CE1 3.44Å; Q463-F487 HydrophobicContact CB-CZ 4.21Å; Q463-F487 HydrophobicContact CG-CE1 4.43Å; V464-F487 HydrophobicContact CG2-CB 4.28Å; V464-F487 HydrophobicContact CG2-CD1 4.28Å; A467-F487 HydrophobicContact CB-CB 4.2Å; A467-F487 HydrophobicContact CB-CD2 3.56Å; A467-F487 HydrophobicContact CB-CE2 4.22Å; A467-F487 HydrophobicContact CB-CG 3.96Å; N483-F487 WeakPolarHBondContact O-CD2 3.3Å; N483-F487 PolarHBondContact O-N 3.42Å; M484-F487 HydrophobicContact CE-CB 4.19Å; M484-F487 PolarHBondContact O-N 2.83Å; M484-F487 VanDerWaalsContact O-N 3.14Å; D485-F487 VanDerWaalsContact C-N 3.33Å; D485-F487 PolarHBondContact O-N 3.19Å; F487-Q490 PolarHBondContact O-N 3.45Å; F487-W491 WeakPolarHBondContact O-CB 3.4Å; F487-W491 PolarHBondContact O-N 3.45Å
488K95.6Very high92.7Very high47 Ų4741.2 Ų41.220%0.20420%0.196CC..Hα-helixtrans-60.2-55.2174.1176.8-171172.4-660110.6L401 I405 M484 D485 Q490 W491 E492L401-K488 HydrophobicContact CD2-CG 4.15Å; I405-K488 HydrophobicContact CD1-CB 3.85Å; I405-K488 HydrophobicContact CD1-CD 3.87Å; I405-K488 HydrophobicContact CD1-CG 3.81Å; M484-K488 WeakPolarHBondContact O-CB 3.4Å; M484-K488 PolarHBondContact O-N 2.88Å; D485-K488 PolarHBondContact O-N 3.17Å; K488-Q490 PolarHBondContact O-N 2.88Å; K488-W491 PolarHBondContact O-N 3.23Å; K488-W491 VanDerWaalsContact O-N 3.14Å; K488-E492 WeakPolarHBondContact CE-OE1 3.17Å; K488-E492 IonicContact NZ-OE1 3.93Å; K488-E492 PolarHBondContact NZ-OE1 2.93Å; K488-E492 IonicContact NZ-OE2 2.79Å; K488-E492 PolarHBondContact NZ-OE2 3.33Å; K488-E492 WeakPolarHBondContact O-CG 3.35Å; K488-E492 PolarHBondContact O-N 3.22Å
489D93.7Very high92.7Very high73 Ų7336.1 Ų36.139%0.3918%0.175SC..Hα-helixtrans-58.6-35.7178.7-80.47.7000111.8D485 K493D485-D489 PolarHBondContact O-N 3.44Å; D489-K493 WeakPolarHBondContact O-CD 3.29Å; D489-K493 VanDerWaalsContact O-CG 3.24Å; D489-K493 WeakPolarHBondContact O-CG 3.42Å; D489-K493 PolarHBondContact O-N 2.89Å
490Q91.4Very high92.7Very high12 Ų1236.8 Ų36.86%0.05618%0.178CC..Hα-helixtrans-73-36.8179.7-169.850.663.900112.7R216 M220 L460 V486 F487 K488 Q494R216-Q490 VanDerWaalsContact CD-NE2 3.33Å; R216-Q490 HydrophobicContact CG-CG 4.41Å; M220-Q490 HydrophobicContact CE-CG 4.26Å; M220-Q490 HydrophobicContact SD-CG 4.11Å; L460-Q490 HydrophobicContact CD1-CG 4.14Å; L460-Q490 HydrophobicContact CD2-CG 3.97Å; V486-Q490 VanDerWaalsContact O-CB 3.27Å; V486-Q490 WeakPolarHBondContact O-CB 3.43Å; V486-Q490 PolarHBondContact O-N 2.96Å; V486-Q490 VanDerWaalsContact O-N 3.11Å; F487-Q490 PolarHBondContact O-N 3.45Å; K488-Q490 PolarHBondContact O-N 2.88Å; Q490-Q494 WeakPolarHBondContact O-CB 3.28Å; Q490-Q494 PolarHBondContact O-N 3.44Å
491W95.6Very high92.8Very high0 Ų036.9 Ų36.90%018%0.179CC..Hα-helixtrans-63.7-52.8174.2-179.1-94.3000111.2L401 F423 A427 L457 L460 C461 V464 F487 K488 K493 Q494 V495L401-W491 HydrophobicContact CD2-CB 3.97Å; L401-W491 VanDerWaalsContact CD2-CD1 3.46Å; L401-W491 HydrophobicContact CD2-CG 3.87Å; F423-W491 HydrophobicContact CE1-CH2 4.3Å; F423-W491 HydrophobicContact CE1-CZ2 4.43Å; F423-W491 HydrophobicContact CE1-CZ3 4.36Å; F423-W491 AromaticContact CE2-CD2 3.95Å; F423-W491 HydrophobicContact CE2-CD2 3.95Å; F423-W491 AromaticContact CE2-CE2 3.4Å; F423-W491 HydrophobicContact CE2-CG 4.44Å; F423-W491 HydrophobicContact CE2-CH2 4.2Å; F423-W491 AromaticContact CE2-CZ2 3.54Å; F423-W491 HydrophobicContact CE2-CZ2 3.54Å; F423-W491 AromaticContact CE2-NE1 3.61Å; F423-W491 AromaticContact CZ-CD2 3.53Å; F423-W491 HydrophobicContact CZ-CD2 3.53Å; F423-W491 AromaticContact CZ-CE2 3.39Å; F423-W491 AromaticContact CZ-CE3 3.71Å; F423-W491 HydrophobicContact CZ-CE3 3.71Å; F423-W491 HydrophobicContact CZ-CG 4.25Å; F423-W491 AromaticContact CZ-CH2 3.65Å; F423-W491 HydrophobicContact CZ-CH2 3.65Å; F423-W491 AromaticContact CZ-CZ2 3.45Å; F423-W491 HydrophobicContact CZ-CZ2 3.45Å; F423-W491 VanDerWaalsContact CZ-CZ2 3.45Å; F423-W491 AromaticContact CZ-CZ3 3.78Å; F423-W491 HydrophobicContact CZ-CZ3 3.78Å; A427-W491 HydrophobicContact CB-CH2 3.52Å; A427-W491 HydrophobicContact CB-CZ2 3.97Å; L457-W491 HydrophobicContact CD1-CD2 4.13Å; L457-W491 HydrophobicContact CD1-CE3 3.73Å; L457-W491 HydrophobicContact CD1-CH2 3.55Å; L457-W491 HydrophobicContact CD1-CZ2 3.98Å; L457-W491 HydrophobicContact CD1-CZ3 3.42Å; L457-W491 VanDerWaalsContact CD1-CZ3 3.42Å; L457-W491 HydrophobicContact CD2-CH2 4.27Å; L457-W491 HydrophobicContact CG-CH2 3.71Å; L457-W491 HydrophobicContact CG-CZ2 4.38Å; L457-W491 HydrophobicContact CG-CZ3 3.87Å; L460-W491 HydrophobicContact CD2-CB 4.48Å; L460-W491 HydrophobicContact CD2-CE3 3.99Å; L460-W491 HydrophobicContact CG-CE3 4.1Å; C461-W491 HydrophobicContact CB-CH2 4.16Å; C461-W491 HydrophobicContact CB-CZ3 3.85Å; V464-W491 HydrophobicContact CG2-CB 4.21Å; V464-W491 HydrophobicContact CG2-CE3 3.99Å; F487-W491 WeakPolarHBondContact O-CB 3.4Å; F487-W491 PolarHBondContact O-N 3.45Å; K488-W491 PolarHBondContact O-N 3.23Å; K488-W491 VanDerWaalsContact O-N 3.14Å; W491-K493 VanDerWaalsContact C-N 3.26Å; W491-K493 PolarHBondContact O-N 2.95Å; W491-Q494 PolarHBondContact O-N 3.49Å; W491-V495 HydrophobicContact CD2-CG2 4.19Å; W491-V495 HydrophobicContact CG-CG2 4.35Å; W491-V495 HydrophobicContact CZ2-CG2 4.02Å; W491-V495 WeakPolarHBondContact O-CG2 3.21Å; W491-V495 PolarHBondContact O-N 3.49Å
492E94.1Very high92.8Very high53 Ų5333.7 Ų33.725%0.24816%0.164CC..Hα-helixtrans-56.3-41.6-178.6-70.4174.4177.200111.8K488 R496K488-E492 WeakPolarHBondContact CE-OE1 3.17Å; K488-E492 IonicContact NZ-OE1 3.93Å; K488-E492 PolarHBondContact NZ-OE1 2.93Å; K488-E492 IonicContact NZ-OE2 2.79Å; K488-E492 PolarHBondContact NZ-OE2 3.33Å; K488-E492 WeakPolarHBondContact O-CG 3.35Å; K488-E492 PolarHBondContact O-N 3.22Å; E492-R496 WeakPolarHBondContact O-CB 3.33Å; E492-R496 PolarHBondContact O-N 2.93Å; E492-R496 VanDerWaalsContact O-N 3.1Å
493K91.6Very high92.7Very high85 Ų8531.8 Ų31.837%0.3715%0.153SC..Hα-helixtrans-68.2-41.7175.8-70170.2-167.6157.70112.7D489 W491 R496 V497 F900D489-K493 WeakPolarHBondContact O-CD 3.29Å; D489-K493 VanDerWaalsContact O-CG 3.24Å; D489-K493 WeakPolarHBondContact O-CG 3.42Å; D489-K493 PolarHBondContact O-N 2.89Å; W491-K493 VanDerWaalsContact C-N 3.26Å; W491-K493 PolarHBondContact O-N 2.95Å; K493-R496 PolarHBondContact O-N 3.32Å; K493-V497 WeakPolarHBondContact O-CG2 3.4Å; K493-V497 PolarHBondContact O-N 3.27Å; K493-F900 HydrophobicContact CB-CZ 3.95Å; K493-F900 HydrophobicContact CD-CE1 3.4Å; K493-F900 HydrophobicContact CD-CZ 3.57Å; K493-F900 HydrophobicContact CG-CZ 4.34Å
494Q92.7Very high92.4Very high3 Ų335.6 Ų35.61%0.01417%0.174CC..Hα-helixtrans-68.7-38.4-178.9-171.763.646.400111.9A453 Q456 L457 L460 Q490 W491 V497 L498A453-Q494 PolarHBondContact O-NE2 2.88Å; Q456-Q494 HydrophobicContact CB-CG 4.49Å; L457-Q494 HydrophobicContact CB-CG 4.06Å; L457-Q494 HydrophobicContact CD1-CB 3.96Å; L457-Q494 HydrophobicContact CD1-CG 3.7Å; L460-Q494 HydrophobicContact CD2-CB 3.96Å; L460-Q494 HydrophobicContact CD2-CG 4.4Å; Q490-Q494 WeakPolarHBondContact O-CB 3.28Å; Q490-Q494 PolarHBondContact O-N 3.44Å; W491-Q494 PolarHBondContact O-N 3.49Å; Q494-V497 PolarHBondContact O-N 3.17Å; Q494-L498 PolarHBondContact O-N 3.21Å
495V94.8Very high91.9Very high4 Ų436.4 Ų36.42%0.02418%0.178CC..Hα-helixtrans-60.9-46.6172.6170.80000110.1T397 L430 L457 W491 V497 L498 T499T397-V495 HydrophobicContact CG2-CG1 3.92Å; L430-V495 HydrophobicContact CD1-CG1 4.42Å; L430-V495 HydrophobicContact CD1-CG2 4.31Å; L457-V495 HydrophobicContact CD1-CG2 3.71Å; L457-V495 HydrophobicContact CD2-CG2 4.28Å; W491-V495 HydrophobicContact CD2-CG2 4.19Å; W491-V495 HydrophobicContact CG-CG2 4.35Å; W491-V495 HydrophobicContact CZ2-CG2 4.02Å; W491-V495 WeakPolarHBondContact O-CG2 3.21Å; W491-V495 PolarHBondContact O-N 3.49Å; V495-V497 VanDerWaalsContact C-N 3.35Å; V495-V497 PolarHBondContact O-N 3.38Å; V495-L498 WeakPolarHBondContact O-CB 3.49Å; V495-L498 PolarHBondContact O-N 3.34Å; V495-T499 HydrophobicContact CG1-CG2 4.31Å; V495-T499 WeakPolarHBondContact O-CG2 3.49Å; V495-T499 PolarHBondContact O-N 3.49Å; V495-T499 PolarHBondContact O-OG1 3.17Å
496R91.4Very high91.5Very high155 Ų15534.4 Ų34.459%0.58517%0.168SC*.Hα-helixtrans-57.7-45.3176.3-174178.9-62.9-145.2-3112.6E492 K493 L498 T499 D500E492-R496 WeakPolarHBondContact O-CB 3.33Å; E492-R496 PolarHBondContact O-N 2.93Å; E492-R496 VanDerWaalsContact O-N 3.1Å; K493-R496 PolarHBondContact O-N 3.32Å; R496-L498 VanDerWaalsContact C-N 3.26Å; R496-L498 PolarHBondContact O-N 2.95Å; R496-T499 WeakPolarHBondContact CA-OG1 3.48Å; R496-T499 PolarHBondContact O-N 2.94Å; R496-T499 PolarHBondContact O-OG1 3.43Å; R496-D500 WeakPolarHBondContact CG-OD2 3.37Å; R496-D500 WeakPolarHBondContact O-CB 3.29Å; R496-D500 PolarHBondContact O-N 2.99Å
497V90.8Very high91.1Very high23 Ų2334 Ų3414%0.13917%0.168CC..Hα-helixtrans-59.1-39.3175.7170.30000111.5A453 K493 Q494 V495 A501 A896A453-V497 HydrophobicContact CB-CG1 4.14Å; K493-V497 WeakPolarHBondContact O-CG2 3.4Å; K493-V497 PolarHBondContact O-N 3.27Å; Q494-V497 PolarHBondContact O-N 3.17Å; V495-V497 VanDerWaalsContact C-N 3.35Å; V495-V497 PolarHBondContact O-N 3.38Å; V497-A501 VanDerWaalsContact O-CB 3.22Å; V497-A501 WeakPolarHBondContact O-CB 3.34Å; V497-A501 PolarHBondContact O-N 2.85Å; V497-A501 VanDerWaalsContact O-N 3.11Å; V497-A896 HydrophobicContact CG2-CB 4.47Å
498L93.9Very high90.5Very high1 Ų134.7 Ų34.71%0.00517%0.171CC..Hα-helixtrans-67.1-46.9176.4-179.663.9000111.9L430 A434 V450 A453 A454 L457 Q494 V495 R496 A501 V502L430-L498 HydrophobicContact CB-CD2 4.4Å; A434-L498 HydrophobicContact CB-CD1 3.75Å; A434-L498 HydrophobicContact CB-CD2 4.31Å; A434-L498 HydrophobicContact CB-CG 4.29Å; V450-L498 HydrophobicContact CG1-CD1 4.18Å; A453-L498 HydrophobicContact CB-CB 4.21Å; A453-L498 HydrophobicContact CB-CD1 3.85Å; A454-L498 HydrophobicContact CB-CD1 4.04Å; L457-L498 HydrophobicContact CD2-CD2 3.59Å; Q494-L498 PolarHBondContact O-N 3.21Å; V495-L498 WeakPolarHBondContact O-CB 3.49Å; V495-L498 PolarHBondContact O-N 3.34Å; R496-L498 VanDerWaalsContact C-N 3.26Å; R496-L498 PolarHBondContact O-N 2.95Å; L498-A501 PolarHBondContact O-N 2.8Å; L498-V502 HydrophobicContact CD1-CG2 4.4Å; L498-V502 VanDerWaalsContact O-CG2 3.32Å; L498-V502 WeakPolarHBondContact O-CG2 3.08Å; L498-V502 PolarHBondContact O-N 3.05Å
499T92.3Very high89.6Confident16 Ų1633.4 Ų33.410%0.09817%0.167CC..Hα-helixtrans-64.5-45-178.455.20000111.6F394 V495 R496 A501 V502 D503F394-T499 HydrophobicContact CB-CG2 4.19Å; F394-T499 HydrophobicContact CD1-CG2 4.17Å; F394-T499 HydrophobicContact CD2-CG2 3.65Å; F394-T499 HydrophobicContact CE1-CG2 4.45Å; F394-T499 HydrophobicContact CE2-CG2 3.96Å; F394-T499 HydrophobicContact CG-CG2 3.77Å; F394-T499 HydrophobicContact CZ-CG2 4.35Å; V495-T499 HydrophobicContact CG1-CG2 4.31Å; V495-T499 WeakPolarHBondContact O-CG2 3.49Å; V495-T499 PolarHBondContact O-N 3.49Å; V495-T499 PolarHBondContact O-OG1 3.17Å; R496-T499 WeakPolarHBondContact CA-OG1 3.48Å; R496-T499 PolarHBondContact O-N 2.94Å; R496-T499 PolarHBondContact O-OG1 3.43Å; T499-A501 VanDerWaalsContact C-N 3.34Å; T499-A501 PolarHBondContact O-N 3.36Å; T499-V502 PolarHBondContact O-N 3.49Å; T499-D503 VanDerWaalsContact O-CG 3.3Å; T499-D503 PolarHBondContact O-N 3.22Å
500D89.8Confident89Confident45 Ų4530.4 Ų30.424%0.24115%0.15CC..Hα-helixtrans-64.1-40.2178.2-62.8-17.7000110.6R496 V502 D503 D504 H554R496-D500 WeakPolarHBondContact CG-OD2 3.37Å; R496-D500 WeakPolarHBondContact O-CB 3.29Å; R496-D500 PolarHBondContact O-N 2.99Å; D500-V502 VanDerWaalsContact C-N 3.32Å; D500-V502 PolarHBondContact O-N 3.17Å; D500-D503 WeakPolarHBondContact O-CB 2.99Å; D500-D503 PolarHBondContact O-N 3.06Å; D500-D504 PolarHBondContact O-N 3.23Å; D500-D504 VanDerWaalsContact O-N 3.08Å; D500-H554 IonicContact OD1-NE2 2.94Å; D500-H554 PolarHBondContact OD1-NE2 3.5Å; D500-H554 VanDerWaalsContact OD1-NE2 3.12Å
501A89.8Confident88.7Confident2 Ų230 Ų302%0.01715%0.148CC..Hα-helixtrans-66.1-33.5175.900000113V450 V497 L498 T499V450-A501 HydrophobicContact CG2-CB 3.74Å; V450-A501 WeakPolarHBondContact CG2-O 3.25Å; V497-A501 VanDerWaalsContact O-CB 3.22Å; V497-A501 WeakPolarHBondContact O-CB 3.34Å; V497-A501 PolarHBondContact O-N 2.85Å; V497-A501 VanDerWaalsContact O-N 3.11Å; L498-A501 PolarHBondContact O-N 2.8Å; T499-A501 VanDerWaalsContact C-N 3.34Å; T499-A501 PolarHBondContact O-N 3.36Å
502V93.6Very high88.3Confident0 Ų030 Ų300%015%0.148CC..Hα-helixtrans-70.1-37.5174.3170.70000110.4V390 F394 A434 A437 V450 L498 T499 D500 D504 I505 T506V390-V502 HydrophobicContact CG2-CG1 3.82Å; F394-V502 HydrophobicContact CE2-CB 3.87Å; F394-V502 HydrophobicContact CE2-CG1 3.8Å; F394-V502 HydrophobicContact CE2-CG2 4.15Å; F394-V502 HydrophobicContact CZ-CB 4.41Å; F394-V502 HydrophobicContact CZ-CG1 4.38Å; F394-V502 HydrophobicContact CZ-CG2 4.18Å; A434-V502 HydrophobicContact CB-CG2 3.82Å; A437-V502 HydrophobicContact CB-CG1 4.03Å; V450-V502 HydrophobicContact CG1-CG2 3.69Å; V450-V502 HydrophobicContact CG2-CG2 4.03Å; L498-V502 HydrophobicContact CD1-CG2 4.4Å; L498-V502 VanDerWaalsContact O-CG2 3.32Å; L498-V502 WeakPolarHBondContact O-CG2 3.08Å; L498-V502 PolarHBondContact O-N 3.05Å; T499-V502 PolarHBondContact O-N 3.49Å; D500-V502 VanDerWaalsContact C-N 3.32Å; D500-V502 PolarHBondContact O-N 3.17Å; V502-D504 VanDerWaalsContact C-N 3.32Å; V502-D504 PolarHBondContact O-N 2.95Å; V502-I505 WeakPolarHBondContact O-CG1 3.29Å; V502-I505 PolarHBondContact O-N 3.41Å; V502-T506 HydrophobicContact CG1-CG2 4.23Å; V502-T506 WeakPolarHBondContact O-CG2 3.31Å; V502-T506 PolarHBondContact O-N 2.98Å; V502-T506 PolarHBondContact O-OG1 2.84Å
503D89.9Confident87.8Confident25 Ų2527.6 Ų27.613%0.13414%0.138CC..Hα-helixtrans-59.3-43.2174-67.3-23.7000111.5T499 D500 I505 T506 R551T499-D503 VanDerWaalsContact O-CG 3.3Å; T499-D503 PolarHBondContact O-N 3.22Å; D500-D503 WeakPolarHBondContact O-CB 2.99Å; D500-D503 PolarHBondContact O-N 3.06Å; D503-I505 PolarHBondContact O-N 3.45Å; D503-I505 VanDerWaalsContact O-N 3.09Å; D503-T506 WeakPolarHBondContact CA-OG1 3.31Å; D503-T506 PolarHBondContact O-N 3.45Å; D503-T506 VanDerWaalsContact O-O 3.08Å; D503-T506 PolarHBondContact O-OG1 2.84Å; D503-T506 VanDerWaalsContact O-OG1 3.1Å; D503-R551 IonicContact OD1-CZ 2.73Å; D503-R551 IonicContact OD1-NH1 3.05Å; D503-R551 IonicContact OD1-NH2 3.61Å; D503-R551 PolarHBondContact OD1-NH2 3.1Å; D503-R551 IonicContact OD2-CZ 3.37Å; D503-R551 IonicContact OD2-NH1 3.49Å; D503-R551 PolarHBondContact OD2-NH1 3.3Å; D503-R551 IonicContact OD2-NH2 3.8Å; D503-R551 PolarHBondContact OD2-NH2 3.32Å
504D85.7Confident87.5Confident81 Ų8123.7 Ų23.743%0.43312%0.121SC..THydrogen-bonded Turntrans-60.5-21.9178.6-71.7-21.7000114.6N443 D500 V502 P893N443-D504 PolarHBondContact ND2-O 3.02Å; D500-D504 PolarHBondContact O-N 3.23Å; D500-D504 VanDerWaalsContact O-N 3.08Å; V502-D504 VanDerWaalsContact C-N 3.32Å; V502-D504 PolarHBondContact O-N 2.95Å; D504-P893 WeakPolarHBondContact OD2-CG 3.45Å
505I84.4Confident87.5Confident18 Ų1823.6 Ų23.69%0.09212%0.121CC..THydrogen-bonded Turntrans-104.1-3.217964.9162.6000113.8A437 S441 N443 V450 V502 D503A437-I505 HydrophobicContact CB-CD1 3.93Å; S441-I505 PolarHBondContact OG-O 3.42Å; N443-I505 HydrophobicContact CB-CG2 4.27Å; V450-I505 HydrophobicContact CB-CD1 4.43Å; V450-I505 HydrophobicContact CG2-CD1 3.81Å; V450-I505 HydrophobicContact CG2-CG1 4.11Å; V450-I505 HydrophobicContact CG2-CG2 4.41Å; V502-I505 WeakPolarHBondContact O-CG1 3.29Å; V502-I505 PolarHBondContact O-N 3.41Å; D503-I505 PolarHBondContact O-N 3.45Å; D503-I505 VanDerWaalsContact O-N 3.09Å
506T85.5Confident87.2Confident26 Ų2624 Ų2416%0.1612%0.122CC..SBendtrans-110.2154-179.554.50000110.4V386 M387 A437 V502 D503V386-T506 HydrophobicContact CG1-CG2 4.31Å; M387-T506 HydrophobicContact CE-CG2 3.62Å; M387-T506 HydrophobicContact SD-CG2 4.16Å; A437-T506 HydrophobicContact CB-CG2 4.38Å; V502-T506 HydrophobicContact CG1-CG2 4.23Å; V502-T506 WeakPolarHBondContact O-CG2 3.31Å; V502-T506 PolarHBondContact O-N 2.98Å; V502-T506 PolarHBondContact O-OG1 2.84Å; D503-T506 WeakPolarHBondContact CA-OG1 3.31Å; D503-T506 PolarHBondContact O-N 3.45Å; D503-T506 VanDerWaalsContact O-O 3.08Å; D503-T506 PolarHBondContact O-OG1 2.84Å; D503-T506 VanDerWaalsContact O-OG1 3.1Å
507S81.9Confident87Confident44 Ų4419.9 Ų19.931%0.30811%0.112SC..  trans-82129.1178.8-179.60000110D509 D510 F511S507-D509 PolarHBondContact O-N 3.19Å; S507-D509 PolarHBondContact OG-N 3Å; S507-D510 PolarHBondContact O-N 3.06Å; S507-F511 PolarHBondContact O-N 2.94Å
508I81.9Confident87Confident15 Ų1519.1 Ų19.18%0.07711%0.107CC..Hα-helixtrans-57.4-32.4171.2-172.8166.1000111.7F511 L512 V555 V556 E559 V628I508-F511 PolarHBondContact O-N 3.26Å; I508-L512 HydrophobicContact CD1-CD1 4.21Å; I508-L512 HydrophobicContact CG1-CD1 3.77Å; I508-L512 HydrophobicContact CG1-CG 4.01Å; I508-L512 WeakPolarHBondContact O-CB 3.4Å; I508-L512 VanDerWaalsContact O-CG 3.27Å; I508-L512 WeakPolarHBondContact O-CG 3.39Å; I508-L512 PolarHBondContact O-N 2.96Å; I508-V555 HydrophobicContact CD1-CG1 4.29Å; I508-V555 HydrophobicContact CG1-CG1 4.29Å; I508-V556 HydrophobicContact CD1-CG2 4.15Å; I508-E559 HydrophobicContact CD1-CB 3.66Å; I508-E559 HydrophobicContact CD1-CG 3.54Å; I508-E559 HydrophobicContact CG2-CG 4.46Å; I508-V628 HydrophobicContact CD1-CG1 4.3Å
509D77Confident87Confident20 Ų2019 Ų1911%0.10711%0.106CC..Hα-helixtrans-68.7-45.3-178.8-56.8-29.8000111S507 F511 L512 S513 L629 R632S507-D509 PolarHBondContact O-N 3.19Å; S507-D509 PolarHBondContact OG-N 3Å; D509-F511 VanDerWaalsContact C-N 3.34Å; D509-L512 PolarHBondContact O-N 3.46Å; D509-S513 WeakPolarHBondContact O-CB 3.23Å; D509-S513 PolarHBondContact O-N 3.49Å; D509-L629 HydrophobicContact CB-CD2 4.48Å; D509-L629 WeakPolarHBondContact OD1-CD2 3.21Å; D509-R632 IonicContact OD1-NE 3.84Å; D509-R632 IonicContact OD2-CZ 3.74Å; D509-R632 IonicContact OD2-NE 2.62Å
510D80.2Confident87Confident10 Ų1021.5 Ų21.55%0.05312%0.118CC..Hα-helixtrans-64.5-42.1176-70.2-29.3000109.9R383 M387 S507 S513 V514R383-D510 WeakPolarHBondContact CD-OD2 3.35Å; R383-D510 IonicContact NE-OD2 3.19Å; R383-D510 PolarHBondContact NE-OD2 2.94Å; M387-D510 HydrophobicContact CE-CB 3.9Å; M387-D510 HydrophobicContact CG-CB 3.58Å; M387-D510 HydrophobicContact SD-CB 4.27Å; S507-D510 PolarHBondContact O-N 3.06Å; D510-S513 PolarHBondContact O-N 3.2Å; D510-V514 PolarHBondContact O-N 3.33Å
511F86.9Confident87.1Confident3 Ų321.9 Ų21.91%0.01312%0.119CC..Hα-helixtrans-62.4-46.5177.8170.6-98.7000112.5M387 V390 S507 I508 D509 S515 R551 V552 V555M387-F511 HydrophobicContact SD-CB 4.29Å; V390-F511 HydrophobicContact CG1-CD2 4.38Å; S507-F511 PolarHBondContact O-N 2.94Å; I508-F511 PolarHBondContact O-N 3.26Å; D509-F511 VanDerWaalsContact C-N 3.34Å; F511-S515 WeakPolarHBondContact CE2-OG 3.45Å; F511-S515 WeakPolarHBondContact CZ-OG 3.43Å; F511-S515 WeakPolarHBondContact O-CB 3.47Å; F511-S515 PolarHBondContact O-N 3.08Å; F511-S515 PolarHBondContact O-OG 2.91Å; F511-R551 HydrophobicContact CE2-CG 4.39Å; F511-R551 HydrophobicContact CZ-CG 4.01Å; F511-V552 HydrophobicContact CE1-CG2 4.06Å; F511-V552 HydrophobicContact CZ-CG2 4.15Å; F511-V555 HydrophobicContact CD1-CB 4.14Å; F511-V555 HydrophobicContact CD1-CG1 3.83Å; F511-V555 HydrophobicContact CD1-CG2 4.17Å; F511-V555 HydrophobicContact CE1-CB 3.69Å; F511-V555 HydrophobicContact CE1-CG1 3.93Å; F511-V555 HydrophobicContact CE1-CG2 3.59Å; F511-V555 HydrophobicContact CE2-CG2 4.31Å; F511-V555 HydrophobicContact CZ-CB 4.29Å; F511-V555 HydrophobicContact CZ-CG2 3.69Å
512L86.3Confident87.4Confident0 Ų022.5 Ų22.50%012%0.122CC..Hα-helixtrans-67.8-38.4178.8-72.5174000111.8I508 D509 S515 E516 V552 V556 R625 V628I508-L512 HydrophobicContact CD1-CD1 4.21Å; I508-L512 HydrophobicContact CG1-CD1 3.77Å; I508-L512 HydrophobicContact CG1-CG 4.01Å; I508-L512 WeakPolarHBondContact O-CB 3.4Å; I508-L512 VanDerWaalsContact O-CG 3.27Å; I508-L512 WeakPolarHBondContact O-CG 3.39Å; I508-L512 PolarHBondContact O-N 2.96Å; D509-L512 PolarHBondContact O-N 3.46Å; L512-S515 PolarHBondContact O-N 3.18Å; L512-E516 WeakPolarHBondContact O-CB 3.42Å; L512-E516 PolarHBondContact O-N 2.82Å; L512-V552 HydrophobicContact CD2-CG1 3.83Å; L512-V556 HydrophobicContact CD1-CG2 4.31Å; L512-V556 HydrophobicContact CD2-CG2 3.74Å; L512-V556 HydrophobicContact CG-CG2 4.49Å; L512-R625 HydrophobicContact CB-CB 4.31Å; L512-R625 HydrophobicContact CB-CG 3.99Å; L512-V628 HydrophobicContact CD1-CB 3.91Å; L512-V628 HydrophobicContact CD1-CG1 3.87Å; L512-V628 HydrophobicContact CD1-CG2 3.95Å
513S83.6Confident87.4Confident3 Ų323 Ų232%0.02113%0.125CC..Hα-helixtrans-62.6-45.9176.2-170.80000112D509 D510 N517 R625D509-S513 WeakPolarHBondContact O-CB 3.23Å; D509-S513 PolarHBondContact O-N 3.49Å; D510-S513 PolarHBondContact O-N 3.2Å; S513-N517 PolarHBondContact O-N 3.49Å; S513-N517 PolarHBondContact O-ND2 3.43Å; S513-R625 PolarHBondContact OG-NH2 3.14Å; S513-R625 VanDerWaalsContact OG-NH2 3.16Å
514V86.1Confident87.6Confident4 Ų426 Ų262%0.02414%0.141CC..Hα-helixtrans-70.1-40.8177.7169.70000111.2M387 D388 D510 E516 N517 H518M387-V514 HydrophobicContact CB-CB 3.93Å; M387-V514 HydrophobicContact CB-CG1 4.23Å; M387-V514 HydrophobicContact CB-CG2 3.66Å; D388-V514 VanDerWaalsContact OD1-CG1 3.3Å; D388-V514 WeakPolarHBondContact OD1-CG1 3.43Å; D510-V514 PolarHBondContact O-N 3.33Å; V514-E516 VanDerWaalsContact C-N 3.35Å; V514-E516 PolarHBondContact O-N 3.04Å; V514-N517 PolarHBondContact O-N 3.02Å; V514-H518 PolarHBondContact O-N 2.94Å
515S91.2Very high88.1Confident0 Ų026.7 Ų26.70%014%0.14CC..Hα-helixtrans-63-39.9178.3-610000112.2F511 L512 H518 I519F511-S515 WeakPolarHBondContact CE2-OG 3.45Å; F511-S515 WeakPolarHBondContact CZ-OG 3.43Å; F511-S515 WeakPolarHBondContact O-CB 3.47Å; F511-S515 PolarHBondContact O-N 3.08Å; F511-S515 PolarHBondContact O-OG 2.91Å; L512-S515 PolarHBondContact O-N 3.18Å; S515-H518 PolarHBondContact O-N 3.47Å; S515-I519 WeakPolarHBondContact O-CB 3.22Å; S515-I519 WeakPolarHBondContact O-CG1 3.43Å; S515-I519 PolarHBondContact O-N 3.38Å
516E88.4Confident88.6Confident13 Ų1325.9 Ų25.96%0.06114%0.136CC..Hα-helixtrans-58.3-47.2172.9178.8-177.6166.800111.6L512 V514 I519 L520 Y618 I621 R622 R625L512-E516 WeakPolarHBondContact O-CB 3.42Å; L512-E516 PolarHBondContact O-N 2.82Å; V514-E516 VanDerWaalsContact C-N 3.35Å; V514-E516 PolarHBondContact O-N 3.04Å; E516-I519 PolarHBondContact O-N 3.02Å; E516-L520 PolarHBondContact O-N 2.98Å; E516-Y618 HydrophobicContact CG-CD2 4.27Å; E516-Y618 HydrophobicContact CG-CE2 3.54Å; E516-Y618 PolarHBondContact OE1-OH 3.42Å; E516-I621 HydrophobicContact CB-CG2 4.47Å; E516-R622 IonicContact OE1-NE 2.84Å; E516-R625 WeakPolarHBondContact OE2-CD 3.25Å; E516-R625 IonicContact OE2-CZ 2.62Å; E516-R625 IonicContact OE2-NE 3.79Å; E516-R625 IonicContact OE2-NH1 3.38Å; E516-R625 PolarHBondContact OE2-NH1 2.88Å
517N86.9Confident89Confident69 Ų6925.6 Ų25.637%0.36913%0.134SC..Hα-helixtrans-64.3-42.9179.6-71.2-23.5000112.1S513 V514 L520 E521S513-N517 PolarHBondContact O-N 3.49Å; S513-N517 PolarHBondContact O-ND2 3.43Å; V514-N517 PolarHBondContact O-N 3.02Å; N517-L520 PolarHBondContact O-N 2.97Å; N517-E521 PolarHBondContact O-N 2.9Å
518H91.3Very high89.6Confident6 Ų627.2 Ų27.23%0.02814%0.138CC..Hα-helixtrans-67.1-38.4178-72.4-168.1000112R326 D388 D392 V514 S515 L520 E521 D522 R548R326-H518 PolarHBondContact NH1-CD2 2.85Å; R326-H518 PolarHBondContact NH1-NE2 3.26Å; D388-H518 IonicContact OD1-NE2 3.08Å; D392-H518 IonicContact OD1-CE1 3.75Å; D392-H518 PolarHBondContact OD1-CE1 3.03Å; D392-H518 IonicContact OD1-ND1 2.68Å; D392-H518 PolarHBondContact OD1-ND1 3.39Å; D392-H518 IonicContact OD2-CE1 3.64Å; V514-H518 PolarHBondContact O-N 2.94Å; S515-H518 PolarHBondContact O-N 3.47Å; H518-L520 VanDerWaalsContact C-N 3.34Å; H518-L520 PolarHBondContact O-N 3.38Å; H518-E521 PolarHBondContact O-N 2.85Å; H518-D522 WeakPolarHBondContact O-CB 3.43Å; H518-D522 PolarHBondContact O-N 3.37Å; H518-R548 VanDerWaalsContact CB-CZ 3.45Å; H518-R548 PolarHBondContact ND1-NH1 3.3Å
519I94.8Very high90.2Very high0 Ų026.8 Ų26.80%014%0.137CC..Hα-helixtrans-61.7-43.6173.6-70.1-76.3000111S515 E516 E521 D522 V523 I545 R548 V617 I621S515-I519 WeakPolarHBondContact O-CB 3.22Å; S515-I519 WeakPolarHBondContact O-CG1 3.43Å; S515-I519 PolarHBondContact O-N 3.38Å; E516-I519 PolarHBondContact O-N 3.02Å; I519-E521 VanDerWaalsContact C-N 3.3Å; I519-E521 PolarHBondContact O-N 3.17Å; I519-D522 PolarHBondContact O-N 3.48Å; I519-V523 HydrophobicContact CG2-CG2 4.13Å; I519-V523 VanDerWaalsContact O-CB 3.27Å; I519-V523 WeakPolarHBondContact O-CB 3.43Å; I519-V523 VanDerWaalsContact O-CG2 3.24Å; I519-V523 WeakPolarHBondContact O-CG2 3.43Å; I519-V523 PolarHBondContact O-N 3.41Å; I519-I545 HydrophobicContact CD1-CG2 4.39Å; I519-R548 HydrophobicContact CD1-CB 3.82Å; I519-R548 HydrophobicContact CD1-CG 4.1Å; I519-R548 HydrophobicContact CG1-CG 4.34Å; I519-V617 HydrophobicContact CG2-CG1 4.2Å; I519-I621 HydrophobicContact CB-CD1 4.28Å; I519-I621 HydrophobicContact CD1-CD1 3.48Å; I519-I621 VanDerWaalsContact CD1-CD1 3.48Å; I519-I621 HydrophobicContact CG1-CD1 3.41Å; I519-I621 VanDerWaalsContact CG1-CD1 3.41Å; I519-I621 HydrophobicContact CG2-CD1 4.15Å
520L92.3Very high91Very high67 Ų6726.1 Ų26.135%0.35113%0.134SC..Hα-helixtrans-59.8-43.5177.4-178.760.4000111.4E516 N517 H518 N524 Y618E516-L520 PolarHBondContact O-N 2.98Å; N517-L520 PolarHBondContact O-N 2.97Å; H518-L520 VanDerWaalsContact C-N 3.34Å; H518-L520 PolarHBondContact O-N 3.38Å; L520-N524 WeakPolarHBondContact O-CB 3.39Å; L520-N524 VanDerWaalsContact O-CG 3.29Å; L520-N524 PolarHBondContact O-N 3.49Å; L520-N524 PolarHBondContact O-ND2 3.4Å; L520-N524 VanDerWaalsContact O-ND2 3.15Å; L520-Y618 HydrophobicContact CB-CD2 3.76Å; L520-Y618 HydrophobicContact CB-CE2 3.85Å; L520-Y618 HydrophobicContact CD1-CD2 4.05Å; L520-Y618 HydrophobicContact CD1-CE2 4.19Å; L520-Y618 HydrophobicContact CD1-CG 4.32Å; L520-Y618 HydrophobicContact CD2-CE2 4.24Å; L520-Y618 HydrophobicContact CG-CD2 4.4Å; L520-Y618 HydrophobicContact CG-CE2 4.32Å
521E92.4Very high91.5Very high53 Ų5331 Ų3125%0.24816%0.156CC..Hα-helixtrans-64.3-47.4175.7-174.9-173.2168.600112.3R326 N517 H518 I519 N524 K525R326-E521 IonicContact CZ-OE1 2.84Å; R326-E521 IonicContact CZ-OE2 3.77Å; R326-E521 IonicContact NH1-OE2 3.28Å; R326-E521 PolarHBondContact NH1-OE2 3.27Å; R326-E521 IonicContact NH2-OE1 3.15Å; R326-E521 PolarHBondContact NH2-OE1 2.82Å; R326-E521 IonicContact NH2-OE2 3.97Å; R326-E521 PolarHBondContact NH2-OE2 3.3Å; N517-E521 PolarHBondContact O-N 2.9Å; H518-E521 PolarHBondContact O-N 2.85Å; I519-E521 VanDerWaalsContact C-N 3.3Å; I519-E521 PolarHBondContact O-N 3.17Å; E521-N524 PolarHBondContact O-N 2.93Å; E521-K525 HydrophobicContact CG-CD 4.24Å; E521-K525 WeakPolarHBondContact O-CG 3.44Å; E521-K525 PolarHBondContact O-N 3.26Å; E521-K525 WeakPolarHBondContact OE1-CE 3.36Å; E521-K525 IonicContact OE1-NZ 2.83Å; E521-K525 PolarHBondContact OE1-NZ 3.15Å
522D94.8Very high91.8Very high15 Ų1537.4 Ų37.48%0.0819%0.186CC..Hα-helixtrans-65-40.7-178.7-69.3-27.5000110.6H518 I519 K525 C526 I545 R548H518-D522 WeakPolarHBondContact O-CB 3.43Å; H518-D522 PolarHBondContact O-N 3.37Å; I519-D522 PolarHBondContact O-N 3.48Å; D522-K525 PolarHBondContact O-N 3.35Å; D522-C526 VanDerWaalsContact O-CB 3.25Å; D522-C526 WeakPolarHBondContact O-CB 3.46Å; D522-C526 PolarHBondContact O-N 3.35Å; D522-I545 HydrophobicContact CB-CD1 4.27Å; D522-I545 HydrophobicContact CB-CG1 3.63Å; D522-R548 IonicContact OD2-CZ 2.7Å; D522-R548 IonicContact OD2-NE 2.65Å; D522-R548 PolarHBondContact OD2-NE 3.07Å; D522-R548 VanDerWaalsContact OD2-NE 3.15Å; D522-R548 IonicContact OD2-NH2 2.64Å; D522-R548 PolarHBondContact OD2-NH2 2.83Å; D522-R548 VanDerWaalsContact OD2-NH2 3.08Å
523V94.9Very high92Very high10 Ų1044.8 Ų44.86%0.06122%0.218CC..Hα-helixtrans-61.7-46173.51630000111.2I519 K525 C526 V527 I545I519-V523 HydrophobicContact CG2-CG2 4.13Å; I519-V523 VanDerWaalsContact O-CB 3.27Å; I519-V523 WeakPolarHBondContact O-CB 3.43Å; I519-V523 VanDerWaalsContact O-CG2 3.24Å; I519-V523 WeakPolarHBondContact O-CG2 3.43Å; I519-V523 PolarHBondContact O-N 3.41Å; V523-K525 VanDerWaalsContact C-N 3.35Å; V523-K525 PolarHBondContact O-N 2.98Å; V523-C526 WeakPolarHBondContact O-CB 3.46Å; V523-C526 PolarHBondContact O-N 3.39Å; V523-V527 WeakPolarHBondContact O-CG2 3.37Å; V523-V527 PolarHBondContact O-N 2.9Å; V523-I545 HydrophobicContact CG2-CD1 3.91Å; V523-I545 HydrophobicContact CG2-CG1 4.44Å
524N94.3Very high92.4Very high89 Ų8947.6 Ų47.648%0.47623%0.233SC..Hα-helixtrans-61.1-44.1176.5-77.9-31.5000111.5L520 E521 C526 V527 I528L520-N524 WeakPolarHBondContact O-CB 3.39Å; L520-N524 VanDerWaalsContact O-CG 3.29Å; L520-N524 PolarHBondContact O-N 3.49Å; L520-N524 PolarHBondContact O-ND2 3.4Å; L520-N524 VanDerWaalsContact O-ND2 3.15Å; E521-N524 PolarHBondContact O-N 2.93Å; N524-C526 VanDerWaalsContact C-N 3.32Å; N524-C526 PolarHBondContact O-N 3.01Å; N524-V527 PolarHBondContact O-N 3.05Å; N524-I528 VanDerWaalsContact O-CG1 3.26Å; N524-I528 WeakPolarHBondContact O-CG1 3.49Å; N524-I528 PolarHBondContact O-N 3.05Å
525K95.3Very high92.7Very high96 Ų9649.2 Ų49.242%0.41724%0.243SC..Hα-helixtrans-62.6-38.3175-74.2170.4171.11690112.2E521 D522 V523 I528 A529 T541E521-K525 HydrophobicContact CG-CD 4.24Å; E521-K525 WeakPolarHBondContact O-CG 3.44Å; E521-K525 PolarHBondContact O-N 3.26Å; E521-K525 WeakPolarHBondContact OE1-CE 3.36Å; E521-K525 IonicContact OE1-NZ 2.83Å; E521-K525 PolarHBondContact OE1-NZ 3.15Å; D522-K525 PolarHBondContact O-N 3.35Å; V523-K525 VanDerWaalsContact C-N 3.35Å; V523-K525 PolarHBondContact O-N 2.98Å; K525-I528 PolarHBondContact O-N 3.39Å; K525-A529 WeakPolarHBondContact O-CB 3.19Å; K525-A529 PolarHBondContact O-N 3.48Å; K525-T541 HydrophobicContact CB-CG2 3.87Å
526C95.9Very high92.7Very high0 Ų055.3 Ų55.30%028%0.275CS..Hα-helixtrans-64.9-43.6178.2-160.20000111.5D522 V523 N524 A529 L530 L538 T541 I545D522-C526 VanDerWaalsContact O-CB 3.25Å; D522-C526 WeakPolarHBondContact O-CB 3.46Å; D522-C526 PolarHBondContact O-N 3.35Å; V523-C526 WeakPolarHBondContact O-CB 3.46Å; V523-C526 PolarHBondContact O-N 3.39Å; N524-C526 VanDerWaalsContact C-N 3.32Å; N524-C526 PolarHBondContact O-N 3.01Å; C526-A529 PolarHBondContact O-N 2.87Å; C526-L530 PolarHBondContact O-N 2.94Å; C526-L538 WeakPolarHBondContact O-CD1 3.4Å; C526-T541 WeakPolarHBondContact CA-OG1 3.38Å; C526-T541 WeakPolarHBondContact CB-OG1 3.49Å; C526-T541 PolarHBondContact SG-OG1 3.49Å; C526-T541 VanDerWaalsContact SG-OG1 3.38Å; C526-I545 HydrophobicContact CB-CD1 3.85Å
527V93.9Very high92.9Very high20 Ų2054.8 Ų54.812%0.12127%0.274CS..Hα-helixtrans-66.1-40.8174.5173.70000111.7V523 N524 L530 Q531 F610 I611V523-V527 WeakPolarHBondContact O-CG2 3.37Å; V523-V527 PolarHBondContact O-N 2.9Å; N524-V527 PolarHBondContact O-N 3.05Å; V527-L530 WeakPolarHBondContact O-CB 3.25Å; V527-L530 PolarHBondContact O-N 3.33Å; V527-Q531 WeakPolarHBondContact O-CG 3.32Å; V527-Q531 PolarHBondContact O-N 2.85Å; V527-F610 HydrophobicContact CG2-CD1 4.44Å; V527-F610 HydrophobicContact CG2-CE1 4.22Å; V527-I611 HydrophobicContact CG1-CD1 4.24Å; V527-I611 HydrophobicContact CG1-CG1 3.93Å; V527-I611 HydrophobicContact CG2-CG1 4.13Å
528I94.4Very high93.2Very high78 Ų7851.5 Ų51.540%0.426%0.256SS..Hα-helixtrans-62.3-45.4175-68.9164.5000110.5N524 K525 L530 Q531 E532N524-I528 VanDerWaalsContact O-CG1 3.26Å; N524-I528 WeakPolarHBondContact O-CG1 3.49Å; N524-I528 PolarHBondContact O-N 3.05Å; K525-I528 PolarHBondContact O-N 3.39Å; I528-L530 VanDerWaalsContact C-N 3.26Å; I528-L530 PolarHBondContact O-N 2.87Å; I528-Q531 PolarHBondContact O-N 3.31Å; I528-Q531 VanDerWaalsContact O-N 3.1Å; I528-E532 HydrophobicContact CG2-CG 4.16Å; I528-E532 WeakPolarHBondContact O-CB 3.42Å; I528-E532 WeakPolarHBondContact O-CG 3.38Å; I528-E532 PolarHBondContact O-N 3.06Å
529A94.5Very high93.2Very high6 Ų655.4 Ų55.45%0.0528%0.277CS..Hα-helixtrans-59.5-38.1177.600000112K525 C526 E532 K533 D534 L538K525-A529 WeakPolarHBondContact O-CB 3.19Å; K525-A529 PolarHBondContact O-N 3.48Å; C526-A529 PolarHBondContact O-N 2.87Å; A529-E532 PolarHBondContact O-N 3.32Å; A529-K533 PolarHBondContact O-N 3.14Å; A529-D534 HydrophobicContact CB-CB 4.41Å; A529-D534 PolarHBondContact O-N 3.05Å; A529-L538 HydrophobicContact CB-CB 4.27Å
530L92.1Very high93Very high7 Ų763.5 Ų63.54%0.03731%0.307CS..Hα-helixtrans-61.2-49.2172.6-179.368.1000111.9C526 V527 I528 E532 K533 L538 A594 L598 V605 E607 F610C526-L530 PolarHBondContact O-N 2.94Å; V527-L530 WeakPolarHBondContact O-CB 3.25Å; V527-L530 PolarHBondContact O-N 3.33Å; I528-L530 VanDerWaalsContact C-N 3.26Å; I528-L530 PolarHBondContact O-N 2.87Å; L530-E532 VanDerWaalsContact C-N 3.3Å; L530-E532 PolarHBondContact O-N 3.3Å; L530-K533 PolarHBondContact O-N 3.31Å; L530-K533 VanDerWaalsContact O-N 3.07Å; L530-L538 HydrophobicContact CB-CD1 4.21Å; L530-L538 HydrophobicContact CD1-CD2 4.21Å; L530-A594 HydrophobicContact CD1-CB 3.82Å; L530-L598 HydrophobicContact CD1-CD1 4.01Å; L530-V605 HydrophobicContact CD1-CG1 4.09Å; L530-V605 HydrophobicContact CD1-CG2 4.47Å; L530-V605 HydrophobicContact CD2-CG1 4.35Å; L530-E607 HydrophobicContact CD2-CG 4.2Å; L530-F610 HydrophobicContact CB-CE1 4.45Å; L530-F610 HydrophobicContact CD2-CB 3.91Å; L530-F610 HydrophobicContact CD2-CD1 3.44Å; L530-F610 VanDerWaalsContact CD2-CD1 3.44Å; L530-F610 HydrophobicContact CD2-CD2 4.24Å; L530-F610 HydrophobicContact CD2-CE1 4Å; L530-F610 HydrophobicContact CD2-CG 3.58Å
531Q91Very high93.1Very high111 Ų11161 Ų6152%0.51930%0.295SS..Hα-helixtrans-63.3-36.9-179.8-70.7175.1-8.700112.3V527 I528 K533V527-Q531 WeakPolarHBondContact O-CG 3.32Å; V527-Q531 PolarHBondContact O-N 2.85Å; I528-Q531 PolarHBondContact O-N 3.31Å; I528-Q531 VanDerWaalsContact O-N 3.1Å; Q531-K533 VanDerWaalsContact C-N 3.25Å; Q531-K533 PolarHBondContact O-N 3.04Å
532E93.2Very high93.2Very high138 Ų13858.5 Ų58.565%0.64528%0.283SS*.Hα-helixtrans-79.5-7.6176.6-67.9-177.6169.600113.1I528 A529 L530 D534I528-E532 HydrophobicContact CG2-CG 4.16Å; I528-E532 WeakPolarHBondContact O-CB 3.42Å; I528-E532 WeakPolarHBondContact O-CG 3.38Å; I528-E532 PolarHBondContact O-N 3.06Å; A529-E532 PolarHBondContact O-N 3.32Å; L530-E532 VanDerWaalsContact C-N 3.3Å; L530-E532 PolarHBondContact O-N 3.3Å; E532-D534 PolarHBondContact O-N 3.25Å
533K90.7Very high93.1Very high156 Ų15658.3 Ų58.368%0.67829%0.285SS*.THydrogen-bonded Turntrans59.430.3-174.9-53-175.7179.3-176.30113.2A529 L530 Q531 V535 L598A529-K533 PolarHBondContact O-N 3.14Å; L530-K533 PolarHBondContact O-N 3.31Å; L530-K533 VanDerWaalsContact O-N 3.07Å; Q531-K533 VanDerWaalsContact C-N 3.25Å; Q531-K533 PolarHBondContact O-N 3.04Å; K533-V535 PolarHBondContact O-N 2.92Å; K533-L598 HydrophobicContact CB-CD2 3.92Å; K533-L598 HydrophobicContact CD-CD2 4.17Å; K533-L598 HydrophobicContact CG-CD2 3.8Å
534D92.7Very high92.9Very high62 Ų6258.9 Ų58.933%0.33229%0.291SS..  trans-83.994.2174.8179.711.4000109.8A529 E532 D536 G537 L538A529-D534 HydrophobicContact CB-CB 4.41Å; A529-D534 PolarHBondContact O-N 3.05Å; E532-D534 PolarHBondContact O-N 3.25Å; D534-D536 VanDerWaalsContact C-N 3.34Å; D534-D536 PolarHBondContact O-N 3.26Å; D534-D536 PolarHBondContact OD1-N 3Å; D534-G537 VanDerWaalsContact CG-N 3.27Å; D534-G537 PolarHBondContact O-N 3.38Å; D534-G537 PolarHBondContact OD1-N 3.13Å; D534-G537 VanDerWaalsContact OD2-CA 3.28Å; D534-G537 WeakPolarHBondContact OD2-CA 3.22Å; D534-G537 PolarHBondContact OD2-N 3.15Å; D534-L538 VanDerWaalsContact O-CB 3.3Å; D534-L538 WeakPolarHBondContact O-CB 3.46Å; D534-L538 PolarHBondContact O-N 3.25Å
535V91.8Very high93Very high37 Ų3754.6 Ų54.622%0.22427%0.268CS..Hα-helixtrans-63.1-39.9-179.2-178.90000111.7K533 L538 D539 V595 L598K533-V535 PolarHBondContact O-N 2.92Å; V535-L538 PolarHBondContact O-N 3.31Å; V535-D539 PolarHBondContact O-N 3.25Å; V535-V595 HydrophobicContact CG1-CG1 3.87Å; V535-V595 HydrophobicContact CG1-CG2 4.41Å; V535-L598 HydrophobicContact CG2-CB 3.74Å; V535-L598 HydrophobicContact CG2-CD1 4.29Å
536D91Very high92.9Very high129 Ų12954 Ų5469%0.6926%0.263SS*.Hα-helixtrans-69.2-41.2-179.9-68.6-22.7000110.7D534 L538 R540D534-D536 VanDerWaalsContact C-N 3.34Å; D534-D536 PolarHBondContact O-N 3.26Å; D534-D536 PolarHBondContact OD1-N 3Å; D536-L538 VanDerWaalsContact C-N 3.34Å; D536-R540 VanDerWaalsContact O-CB 3.24Å; D536-R540 WeakPolarHBondContact O-CB 3.49Å; D536-R540 PolarHBondContact O-N 2.93Å; D536-R540 VanDerWaalsContact O-N 3.08Å
537G92.5Very high92.8Very high2 Ų255 Ų552%0.02127%0.273CS..Hα-helixtrans-62.2-40.8172.800000112.7D534 T541D534-G537 VanDerWaalsContact CG-N 3.27Å; D534-G537 PolarHBondContact O-N 3.38Å; D534-G537 PolarHBondContact OD1-N 3.13Å; D534-G537 VanDerWaalsContact OD2-CA 3.28Å; D534-G537 WeakPolarHBondContact OD2-CA 3.22Å; D534-G537 PolarHBondContact OD2-N 3.15Å; G537-T541 WeakPolarHBondContact O-CB 3.49Å; G537-T541 VanDerWaalsContact O-CG2 3.27Å; G537-T541 WeakPolarHBondContact O-CG2 3.29Å; G537-T541 PolarHBondContact O-N 2.94Å; G537-T541 PolarHBondContact O-OG1 3.05Å
538L93.6Very high92.7Very high0 Ų054.6 Ų54.60%027%0.27CS..Hα-helixtrans-64.5-50.5179-173.865.2000111.5C526 A529 L530 D534 V535 D536 T541 A542 A594 V595 L598 F610C526-L538 WeakPolarHBondContact O-CD1 3.4Å; A529-L538 HydrophobicContact CB-CB 4.27Å; L530-L538 HydrophobicContact CB-CD1 4.21Å; L530-L538 HydrophobicContact CD1-CD2 4.21Å; D534-L538 VanDerWaalsContact O-CB 3.3Å; D534-L538 WeakPolarHBondContact O-CB 3.46Å; D534-L538 PolarHBondContact O-N 3.25Å; V535-L538 PolarHBondContact O-N 3.31Å; D536-L538 VanDerWaalsContact C-N 3.34Å; L538-T541 PolarHBondContact O-N 2.74Å; L538-T541 PolarHBondContact O-OG1 2.96Å; L538-T541 VanDerWaalsContact O-OG1 3.08Å; L538-A542 VanDerWaalsContact O-CB 3.23Å; L538-A542 WeakPolarHBondContact O-CB 3.28Å; L538-A542 PolarHBondContact O-N 3.4Å; L538-A594 HydrophobicContact CD2-CB 3.92Å; L538-V595 HydrophobicContact CD2-CG2 3.79Å; L538-V595 HydrophobicContact CG-CG2 4.24Å; L538-L598 HydrophobicContact CD2-CD1 4.16Å; L538-F610 HydrophobicContact CD1-CE1 4.44Å; L538-F610 HydrophobicContact CD1-CE2 4.25Å; L538-F610 HydrophobicContact CD1-CZ 3.69Å
539D90.8Very high92.8Very high87 Ų8750.9 Ų50.947%0.46525%0.251SS..Hα-helixtrans-64.5-42.9179.7-17457000111.8V535 A542 G543 R546V535-D539 PolarHBondContact O-N 3.25Å; D539-A542 PolarHBondContact O-N 3.23Å; D539-G543 PolarHBondContact O-N 3.38Å; D539-R546 IonicContact OD1-NH2 3.35Å
540R90.9Very high92.7Very high170 Ų17053.7 Ų53.764%0.64227%0.274SS*.Hα-helixtrans-62.6-46.7178-176.8178.664.3-132.3-5.8112.4D536 G543 A544D536-R540 VanDerWaalsContact O-CB 3.24Å; D536-R540 WeakPolarHBondContact O-CB 3.49Å; D536-R540 PolarHBondContact O-N 2.93Å; D536-R540 VanDerWaalsContact O-N 3.08Å; R540-G543 PolarHBondContact O-N 2.88Å; R540-A544 PolarHBondContact O-N 3.5Å; R540-A544 VanDerWaalsContact O-N 3.1Å
541T94.1Very high92.7Very high15 Ų1554.5 Ų54.59%0.09228%0.276CS..Hα-helixtrans-68.9-39.7179.751.50000111.5K525 C526 G537 L538 G543 A544 I545K525-T541 HydrophobicContact CB-CG2 3.87Å; C526-T541 WeakPolarHBondContact CA-OG1 3.38Å; C526-T541 WeakPolarHBondContact CB-OG1 3.49Å; C526-T541 PolarHBondContact SG-OG1 3.49Å; C526-T541 VanDerWaalsContact SG-OG1 3.38Å; G537-T541 WeakPolarHBondContact O-CB 3.49Å; G537-T541 VanDerWaalsContact O-CG2 3.27Å; G537-T541 WeakPolarHBondContact O-CG2 3.29Å; G537-T541 PolarHBondContact O-N 2.94Å; G537-T541 PolarHBondContact O-OG1 3.05Å; L538-T541 PolarHBondContact O-N 2.74Å; L538-T541 PolarHBondContact O-OG1 2.96Å; L538-T541 VanDerWaalsContact O-OG1 3.08Å; T541-G543 VanDerWaalsContact C-N 3.33Å; T541-G543 PolarHBondContact O-N 3.46Å; T541-A544 PolarHBondContact O-N 2.76Å; T541-I545 WeakPolarHBondContact O-CG1 3.28Å; T541-I545 PolarHBondContact O-N 3Å
542A94.5Very high92.9Very high0 Ų049.2 Ų49.20%025%0.252CS..Hα-helixtrans-63.8-36.7173.200000112.7L538 D539 I545 R546 F587 V591L538-A542 VanDerWaalsContact O-CB 3.23Å; L538-A542 WeakPolarHBondContact O-CB 3.28Å; L538-A542 PolarHBondContact O-N 3.4Å; D539-A542 PolarHBondContact O-N 3.23Å; A542-I545 PolarHBondContact O-N 3.01Å; A542-R546 WeakPolarHBondContact O-CB 3.32Å; A542-R546 VanDerWaalsContact O-CG 3.31Å; A542-R546 WeakPolarHBondContact O-CG 3.27Å; A542-R546 PolarHBondContact O-N 3.46Å; A542-R546 PolarHBondContact O-NE 3.11Å; A542-F587 HydrophobicContact CB-CE1 4.17Å; A542-F587 HydrophobicContact CB-CZ 4.04Å; A542-V591 HydrophobicContact CB-CB 4.23Å; A542-V591 HydrophobicContact CB-CG1 3.55Å; A542-V591 HydrophobicContact CB-CG2 3.7Å
543G92.3Very high93Very high12 Ų1243.7 Ų43.712%0.12423%0.227CC..Hα-helixtrans-56.6-50170.200000112.2D539 R540 T541 I545 R546 G547D539-G543 PolarHBondContact O-N 3.38Å; R540-G543 PolarHBondContact O-N 2.88Å; T541-G543 VanDerWaalsContact C-N 3.33Å; T541-G543 PolarHBondContact O-N 3.46Å; G543-I545 PolarHBondContact O-N 3.49Å; G543-R546 PolarHBondContact O-N 3.03Å; G543-G547 PolarHBondContact O-N 2.88Å
544A91.7Very high93Very high21 Ų2139.4 Ų39.417%0.17421%0.21CC..Hα-helixtrans-60.5-44.6176.800000112.5L395 R540 T541 R546 G547 R548L395-A544 HydrophobicContact CD2-CB 4.07Å; L395-A544 WeakPolarHBondContact CD2-O 3.36Å; R540-A544 PolarHBondContact O-N 3.5Å; R540-A544 VanDerWaalsContact O-N 3.1Å; T541-A544 PolarHBondContact O-N 2.76Å; A544-R546 PolarHBondContact O-N 2.62Å; A544-G547 PolarHBondContact O-N 3.23Å; A544-R548 WeakPolarHBondContact O-CB 3.38Å; A544-R548 PolarHBondContact O-N 3.44Å
545I95.4Very high92.9Very high0 Ų037 Ų370%020%0.197CC..Hα-helixtrans-59.5-47.4176.3-66.6164.7000110.7I519 D522 V523 C526 T541 A542 G543 R548 A549 F587 V617I519-I545 HydrophobicContact CD1-CG2 4.39Å; D522-I545 HydrophobicContact CB-CD1 4.27Å; D522-I545 HydrophobicContact CB-CG1 3.63Å; V523-I545 HydrophobicContact CG2-CD1 3.91Å; V523-I545 HydrophobicContact CG2-CG1 4.44Å; C526-I545 HydrophobicContact CB-CD1 3.85Å; T541-I545 WeakPolarHBondContact O-CG1 3.28Å; T541-I545 PolarHBondContact O-N 3Å; A542-I545 PolarHBondContact O-N 3.01Å; G543-I545 PolarHBondContact O-N 3.49Å; I545-R548 PolarHBondContact O-N 2.96Å; I545-A549 VanDerWaalsContact O-CB 3.27Å; I545-A549 WeakPolarHBondContact O-CB 3.35Å; I545-A549 PolarHBondContact O-N 2.95Å; I545-F587 HydrophobicContact CB-CE1 4Å; I545-F587 HydrophobicContact CB-CZ 4.16Å; I545-F587 HydrophobicContact CD1-CE1 4.35Å; I545-F587 HydrophobicContact CD1-CE2 4.29Å; I545-F587 HydrophobicContact CD1-CZ 3.63Å; I545-F587 HydrophobicContact CG2-CD1 4.26Å; I545-F587 HydrophobicContact CG2-CE1 3.7Å; I545-F587 HydrophobicContact CG2-CZ 3.99Å; I545-V617 HydrophobicContact CG2-CB 4.47Å; I545-V617 HydrophobicContact CG2-CG1 3.71Å; I545-V617 HydrophobicContact CG2-CG2 4.48Å
546R94.6Very high92.8Very high82 Ų8235.2 Ų35.231%0.30919%0.186SC..Hα-helixtrans-60.2-47.7177.7-74.4-176.7-67.9-170.8-2.1111.8D539 A542 G543 A544 A550 M584 F587D539-R546 IonicContact OD1-NH2 3.35Å; A542-R546 WeakPolarHBondContact O-CB 3.32Å; A542-R546 VanDerWaalsContact O-CG 3.31Å; A542-R546 WeakPolarHBondContact O-CG 3.27Å; A542-R546 PolarHBondContact O-N 3.46Å; A542-R546 PolarHBondContact O-NE 3.11Å; G543-R546 PolarHBondContact O-N 3.03Å; A544-R546 PolarHBondContact O-N 2.62Å; R546-A550 WeakPolarHBondContact O-CB 3.39Å; R546-A550 PolarHBondContact O-N 2.7Å; R546-M584 HydrophobicContact CB-CE 4.21Å; R546-M584 HydrophobicContact CG-CE 3.68Å; R546-F587 HydrophobicContact CG-CE1 4.42Å
547G92.1Very high92.8Very high21 Ų2131.2 Ų31.222%0.21617%0.167CC..Hα-helixtrans-60.3-47178.200000112.3G543 A544 A550 R551G543-G547 PolarHBondContact O-N 2.88Å; A544-G547 PolarHBondContact O-N 3.23Å; G547-A550 PolarHBondContact O-N 3.43Å; G547-R551 VanDerWaalsContact O-CB 3.3Å; G547-R551 WeakPolarHBondContact O-CB 3.26Å; G547-R551 PolarHBondContact O-N 3.44Å
548R93.7Very high92.4Very high12 Ų1233.7 Ų33.75%0.04518%0.184CC..Hα-helixtrans-69.3-40.5-178.7-157.7178.8-52.6-92.311.8112.4S391 D392 L395 H518 I519 D522 A544 I545 R551 V552S391-R548 VanDerWaalsContact C-NH1 3.32Å; S391-R548 VanDerWaalsContact CB-NH1 3.32Å; S391-R548 PolarHBondContact O-NH1 3.47Å; S391-R548 VanDerWaalsContact O-NH1 3.15Å; S391-R548 PolarHBondContact OG-NH1 3.43Å; D392-R548 IonicContact OD1-CZ 3.31Å; D392-R548 IonicContact OD1-NH1 3.57Å; D392-R548 PolarHBondContact OD1-NH1 2.82Å; D392-R548 IonicContact OD1-NH2 2.69Å; D392-R548 PolarHBondContact OD1-NH2 3.46Å; L395-R548 HydrophobicContact CD1-CB 3.77Å; L395-R548 HydrophobicContact CD1-CG 3.95Å; L395-R548 HydrophobicContact CD2-CB 4.43Å; L395-R548 HydrophobicContact CG-CB 4.5Å; H518-R548 VanDerWaalsContact CB-CZ 3.45Å; H518-R548 PolarHBondContact ND1-NH1 3.3Å; I519-R548 HydrophobicContact CD1-CB 3.82Å; I519-R548 HydrophobicContact CD1-CG 4.1Å; I519-R548 HydrophobicContact CG1-CG 4.34Å; D522-R548 IonicContact OD2-CZ 2.7Å; D522-R548 IonicContact OD2-NE 2.65Å; D522-R548 PolarHBondContact OD2-NE 3.07Å; D522-R548 VanDerWaalsContact OD2-NE 3.15Å; D522-R548 IonicContact OD2-NH2 2.64Å; D522-R548 PolarHBondContact OD2-NH2 2.83Å; D522-R548 VanDerWaalsContact OD2-NH2 3.08Å; A544-R548 WeakPolarHBondContact O-CB 3.38Å; A544-R548 PolarHBondContact O-N 3.44Å; I545-R548 PolarHBondContact O-N 2.96Å; R548-R551 PolarHBondContact O-N 3.06Å; R548-V552 WeakPolarHBondContact O-CG2 3.34Å; R548-V552 PolarHBondContact O-N 3.45Å
549A95.4Very high91.8Very high1 Ų135.9 Ų35.91%0.00819%0.194CC..Hα-helixtrans-62.2-46173.900000111.9I545 R551 V552 V553 L579 M584 I621I545-A549 VanDerWaalsContact O-CB 3.27Å; I545-A549 WeakPolarHBondContact O-CB 3.35Å; I545-A549 PolarHBondContact O-N 2.95Å; A549-R551 VanDerWaalsContact C-N 3.31Å; A549-R551 PolarHBondContact O-N 3.42Å; A549-V552 PolarHBondContact O-N 3.21Å; A549-V553 WeakPolarHBondContact O-CG2 3.49Å; A549-V553 PolarHBondContact O-N 3.05Å; A549-L579 HydrophobicContact CB-CD2 4.48Å; A549-M584 HydrophobicContact CB-CE 4Å; A549-M584 HydrophobicContact CB-CG 4.17Å; A549-M584 HydrophobicContact CB-SD 3.5Å; A549-M584 WeakPolarHBondContact CB-SD 3.45Å; A549-I621 HydrophobicContact CB-CD1 4.1Å
550A93.4Very high91.5Very high64 Ų6432 Ų3253%0.52917%0.173SC..Hα-helixtrans-61.8-39.7175.900000111.9R546 G547 V553 H554R546-A550 WeakPolarHBondContact O-CB 3.39Å; R546-A550 PolarHBondContact O-N 2.7Å; G547-A550 PolarHBondContact O-N 3.43Å; A550-V553 PolarHBondContact O-N 2.81Å; A550-H554 PolarHBondContact O-N 2.64Å
551R91.9Very high90.9Very high24 Ų2429.9 Ų29.99%0.09118%0.175CC..Hα-helixtrans-63.9-44.2176.2-177.763.3174.5115.410.4112.2D503 F511 G547 R548 A549 V553 H554 V555D503-R551 IonicContact OD1-CZ 2.73Å; D503-R551 IonicContact OD1-NH1 3.05Å; D503-R551 IonicContact OD1-NH2 3.61Å; D503-R551 PolarHBondContact OD1-NH2 3.1Å; D503-R551 IonicContact OD2-CZ 3.37Å; D503-R551 IonicContact OD2-NH1 3.49Å; D503-R551 PolarHBondContact OD2-NH1 3.3Å; D503-R551 IonicContact OD2-NH2 3.8Å; D503-R551 PolarHBondContact OD2-NH2 3.32Å; F511-R551 HydrophobicContact CE2-CG 4.39Å; F511-R551 HydrophobicContact CZ-CG 4.01Å; G547-R551 VanDerWaalsContact O-CB 3.3Å; G547-R551 WeakPolarHBondContact O-CB 3.26Å; G547-R551 PolarHBondContact O-N 3.44Å; R548-R551 PolarHBondContact O-N 3.06Å; A549-R551 VanDerWaalsContact C-N 3.31Å; A549-R551 PolarHBondContact O-N 3.42Å; R551-V553 VanDerWaalsContact C-N 3.33Å; R551-V553 PolarHBondContact O-N 3.28Å; R551-H554 PolarHBondContact O-N 3.47Å; R551-V555 VanDerWaalsContact CZ-CG2 3.5Å; R551-V555 WeakPolarHBondContact O-CG2 3.39Å; R551-V555 PolarHBondContact O-N 2.82Å
552V94.4Very high89.8Confident0 Ų033.5 Ų33.50%019%0.193CC..Hα-helixtrans-58.1-47175166.50000110.7F511 L512 R548 A549 H554 V555 V556 I624F511-V552 HydrophobicContact CE1-CG2 4.06Å; F511-V552 HydrophobicContact CZ-CG2 4.15Å; L512-V552 HydrophobicContact CD2-CG1 3.83Å; R548-V552 WeakPolarHBondContact O-CG2 3.34Å; R548-V552 PolarHBondContact O-N 3.45Å; A549-V552 PolarHBondContact O-N 3.21Å; V552-H554 PolarHBondContact O-N 3.45Å; V552-V555 PolarHBondContact O-N 3.3Å; V552-V556 HydrophobicContact CG1-CG2 4.25Å; V552-V556 WeakPolarHBondContact O-CB 3.48Å; V552-V556 WeakPolarHBondContact O-CG2 3.21Å; V552-V556 PolarHBondContact O-N 2.89Å; V552-I624 HydrophobicContact CG1-CD1 4.44Å; V552-I624 HydrophobicContact CG1-CG2 4.44Å
553V94.9Very high88.4Confident22 Ų2235.5 Ų35.513%0.13320%0.201CC..Hα-helixtrans-60.5-45.4177.1172.70000111A549 A550 R551 V556 T557 L579A549-V553 WeakPolarHBondContact O-CG2 3.49Å; A549-V553 PolarHBondContact O-N 3.05Å; A550-V553 PolarHBondContact O-N 2.81Å; R551-V553 VanDerWaalsContact C-N 3.33Å; R551-V553 PolarHBondContact O-N 3.28Å; V553-V556 PolarHBondContact O-N 3.27Å; V553-T557 HydrophobicContact CG1-CG2 4.06Å; V553-T557 VanDerWaalsContact O-CB 3.31Å; V553-T557 WeakPolarHBondContact O-CB 3.26Å; V553-T557 WeakPolarHBondContact O-CG2 3.42Å; V553-T557 PolarHBondContact O-N 3.04Å; V553-T557 PolarHBondContact O-OG1 2.95Å; V553-L579 HydrophobicContact CG2-CD2 3.95Å
554H91.1Very high86.8Confident67 Ų6742.9 Ų42.931%0.3123%0.232SC..Hα-helixtrans-59-51.1177.317980.5000112.4D500 A550 R551 V552 V556 T557 S558D500-H554 IonicContact OD1-NE2 2.94Å; D500-H554 PolarHBondContact OD1-NE2 3.5Å; D500-H554 VanDerWaalsContact OD1-NE2 3.12Å; A550-H554 PolarHBondContact O-N 2.64Å; R551-H554 PolarHBondContact O-N 3.47Å; V552-H554 PolarHBondContact O-N 3.45Å; H554-V556 PolarHBondContact O-N 3.36Å; H554-T557 PolarHBondContact O-OG1 2.9Å; H554-T557 VanDerWaalsContact O-OG1 3.07Å; H554-S558 VanDerWaalsContact O-CB 3.27Å; H554-S558 WeakPolarHBondContact O-CB 3.38Å; H554-S558 PolarHBondContact O-N 3.48Å
555V89.9Confident85.8Confident11 Ų1147.4 Ų47.47%0.06726%0.26CS..Hα-helixtrans-59.5-49178.91760000110.9I508 F511 R551 V552 S558 E559I508-V555 HydrophobicContact CD1-CG1 4.29Å; I508-V555 HydrophobicContact CG1-CG1 4.29Å; F511-V555 HydrophobicContact CD1-CB 4.14Å; F511-V555 HydrophobicContact CD1-CG1 3.83Å; F511-V555 HydrophobicContact CD1-CG2 4.17Å; F511-V555 HydrophobicContact CE1-CB 3.69Å; F511-V555 HydrophobicContact CE1-CG1 3.93Å; F511-V555 HydrophobicContact CE1-CG2 3.59Å; F511-V555 HydrophobicContact CE2-CG2 4.31Å; F511-V555 HydrophobicContact CZ-CB 4.29Å; F511-V555 HydrophobicContact CZ-CG2 3.69Å; R551-V555 VanDerWaalsContact CZ-CG2 3.5Å; R551-V555 WeakPolarHBondContact O-CG2 3.39Å; R551-V555 PolarHBondContact O-N 2.82Å; V552-V555 PolarHBondContact O-N 3.3Å; V555-S558 PolarHBondContact O-N 3.21Å; V555-E559 WeakPolarHBondContact O-CB 3.25Å; V555-E559 PolarHBondContact O-N 3.35Å
556V91.1Very high84.3Confident0 Ų048.7 Ų48.70%027%0.274CS..Hα-helixtrans-67.4-44-174.7173.90000111I508 L512 V552 V553 H554 E559 M560 V572 T576 I624 V628I508-V556 HydrophobicContact CD1-CG2 4.15Å; L512-V556 HydrophobicContact CD1-CG2 4.31Å; L512-V556 HydrophobicContact CD2-CG2 3.74Å; L512-V556 HydrophobicContact CG-CG2 4.49Å; V552-V556 HydrophobicContact CG1-CG2 4.25Å; V552-V556 WeakPolarHBondContact O-CB 3.48Å; V552-V556 WeakPolarHBondContact O-CG2 3.21Å; V552-V556 PolarHBondContact O-N 2.89Å; V553-V556 PolarHBondContact O-N 3.27Å; H554-V556 PolarHBondContact O-N 3.36Å; V556-E559 PolarHBondContact O-N 3.38Å; V556-M560 HydrophobicContact CG1-CG 4.43Å; V556-M560 VanDerWaalsContact O-CG 3.27Å; V556-M560 WeakPolarHBondContact O-CG 3.46Å; V556-M560 PolarHBondContact O-N 3.06Å; V556-V572 HydrophobicContact CG1-CG1 3.31Å; V556-T576 HydrophobicContact CB-CG2 4.07Å; V556-T576 HydrophobicContact CG1-CG2 3.64Å; V556-I624 HydrophobicContact CB-CG2 4.35Å; V556-I624 HydrophobicContact CG1-CG2 3.99Å; V556-I624 HydrophobicContact CG2-CG2 3.78Å; V556-V628 HydrophobicContact CG1-CG2 3.96Å
557T90.4Very high82.9Confident45 Ų4550.3 Ų50.328%0.27629%0.292SS..Hα-helixtrans-63.7-43.1177.652.60000111.6V553 H554 E559 M560 D561 L573V553-T557 HydrophobicContact CG1-CG2 4.06Å; V553-T557 VanDerWaalsContact O-CB 3.31Å; V553-T557 WeakPolarHBondContact O-CB 3.26Å; V553-T557 WeakPolarHBondContact O-CG2 3.42Å; V553-T557 PolarHBondContact O-N 3.04Å; V553-T557 PolarHBondContact O-OG1 2.95Å; H554-T557 PolarHBondContact O-OG1 2.9Å; H554-T557 VanDerWaalsContact O-OG1 3.07Å; T557-E559 PolarHBondContact O-N 3.14Å; T557-M560 PolarHBondContact O-N 3.16Å; T557-D561 PolarHBondContact O-N 3.37Å; T557-L573 HydrophobicContact CG2-CD2 3.88Å
558S85Confident81.9Confident54 Ų5450.6 Ų50.638%0.37829%0.287SS..Hα-helixtrans-62.9-40174.8-170.10000112.2H554 V555 M560 D561H554-S558 VanDerWaalsContact O-CB 3.27Å; H554-S558 WeakPolarHBondContact O-CB 3.38Å; H554-S558 PolarHBondContact O-N 3.48Å; V555-S558 PolarHBondContact O-N 3.21Å; S558-M560 VanDerWaalsContact C-N 3.34Å; S558-D561 WeakPolarHBondContact O-CB 3.16Å; S558-D561 PolarHBondContact O-N 3.49Å
559E79.8Confident81Confident46 Ų4650.4 Ų50.422%0.21529%0.287CS..Hα-helixtrans-67-36.8175.6176.162-175.300111.2I508 V555 V556 T557 D561 N562 Y563I508-E559 HydrophobicContact CD1-CB 3.66Å; I508-E559 HydrophobicContact CD1-CG 3.54Å; I508-E559 HydrophobicContact CG2-CG 4.46Å; V555-E559 WeakPolarHBondContact O-CB 3.25Å; V555-E559 PolarHBondContact O-N 3.35Å; V556-E559 PolarHBondContact O-N 3.38Å; T557-E559 PolarHBondContact O-N 3.14Å; E559-D561 PolarHBondContact O-N 3.19Å; E559-N562 VanDerWaalsContact O-CB 3.27Å; E559-N562 WeakPolarHBondContact O-CB 3.3Å; E559-N562 PolarHBondContact O-N 3.36Å; E559-N562 PolarHBondContact OE2-ND2 3.11Å; E559-Y563 HydrophobicContact CG-CE2 3.96Å; E559-Y563 WeakPolarHBondContact O-CD2 3.4Å; E559-Y563 WeakPolarHBondContact O-CE2 3.5Å; E559-Y563 WeakPolarHBondContact OE1-CE2 3.4Å; E559-Y563 PolarHBondContact OE1-OH 3.17Å
560M84.6Confident80.3Confident4 Ų455.8 Ų55.82%0.0231%0.312CS..Hα-helixtrans-64.9-24.6178.2-72-4997.600113V556 T557 S558 N562 Y563 Y568 T569 V572 L573V556-M560 HydrophobicContact CG1-CG 4.43Å; V556-M560 VanDerWaalsContact O-CG 3.27Å; V556-M560 WeakPolarHBondContact O-CG 3.46Å; V556-M560 PolarHBondContact O-N 3.06Å; T557-M560 PolarHBondContact O-N 3.16Å; S558-M560 VanDerWaalsContact C-N 3.34Å; M560-N562 PolarHBondContact O-N 2.91Å; M560-Y563 HydrophobicContact CE-CD2 4.2Å; M560-Y563 HydrophobicContact CE-CE2 3.99Å; M560-Y563 PolarHBondContact O-N 3.37Å; M560-Y563 VanDerWaalsContact O-N 3.12Å; M560-Y563 HydrophobicContact SD-CD2 4.42Å; M560-Y568 HydrophobicContact CE-CE1 4.11Å; M560-Y568 WeakPolarHBondContact CE-OH 3.06Å; M560-Y568 HydrophobicContact SD-CD1 4.43Å; M560-Y568 HydrophobicContact SD-CE1 3.68Å; M560-T569 HydrophobicContact SD-CG2 4.37Å; M560-V572 HydrophobicContact CE-CG1 4.21Å; M560-V572 HydrophobicContact CG-CB 4.05Å; M560-V572 HydrophobicContact CG-CG1 3.6Å; M560-V572 HydrophobicContact SD-CB 3.74Å; M560-V572 HydrophobicContact SD-CG1 3.65Å; M560-V572 HydrophobicContact SD-CG2 3.92Å; M560-L573 HydrophobicContact CB-CD2 4.2Å; M560-L573 HydrophobicContact CB-CG 4.44Å; M560-L573 HydrophobicContact CG-CD2 4.27Å; M560-L573 HydrophobicContact CG-CG 4.39Å
561D77.9Confident79.5Confident127 Ų12757.4 Ų57.468%0.67931%0.307SS*.THydrogen-bonded Turntrans-65.1-17.7173.9-72.7-22.4000112.9T557 S558 E559 Y563T557-D561 PolarHBondContact O-N 3.37Å; S558-D561 WeakPolarHBondContact O-CB 3.16Å; S558-D561 PolarHBondContact O-N 3.49Å; E559-D561 PolarHBondContact O-N 3.19Å; D561-Y563 VanDerWaalsContact C-N 3.27Å; D561-Y563 PolarHBondContact O-N 2.99Å
562N71.9Confident79Confident90 Ų9056.2 Ų56.248%0.48130%0.303SS..THydrogen-bonded Turntrans-77-10.4175.1-64.9-40.2000113.4E559 M560E559-N562 VanDerWaalsContact O-CB 3.27Å; E559-N562 WeakPolarHBondContact O-CB 3.3Å; E559-N562 PolarHBondContact O-N 3.36Å; E559-N562 PolarHBondContact OE2-ND2 3.11Å; M560-N562 PolarHBondContact O-N 2.91Å
563Y65.6Low78.9Confident42 Ų4259.6 Ų59.617%0.16532%0.32CS..SBendtrans-108.3151.3-175.1-60.3-99.6000111.5E559 M560 D561 Y568 T569 I631 E678E559-Y563 HydrophobicContact CG-CE2 3.96Å; E559-Y563 WeakPolarHBondContact O-CD2 3.4Å; E559-Y563 WeakPolarHBondContact O-CE2 3.5Å; E559-Y563 WeakPolarHBondContact OE1-CE2 3.4Å; E559-Y563 PolarHBondContact OE1-OH 3.17Å; M560-Y563 HydrophobicContact CE-CD2 4.2Å; M560-Y563 HydrophobicContact CE-CE2 3.99Å; M560-Y563 PolarHBondContact O-N 3.37Å; M560-Y563 VanDerWaalsContact O-N 3.12Å; M560-Y563 HydrophobicContact SD-CD2 4.42Å; D561-Y563 VanDerWaalsContact C-N 3.27Å; D561-Y563 PolarHBondContact O-N 2.99Å; Y563-Y568 HydrophobicContact CD1-CD1 4.23Å; Y563-Y568 AromaticContact CD1-CE1 3.83Å; Y563-Y568 HydrophobicContact CD1-CE1 3.83Å; Y563-Y568 HydrophobicContact CD2-CE1 4.36Å; Y563-Y568 AromaticContact CE1-CE1 4Å; Y563-Y568 HydrophobicContact CE1-CE1 4Å; Y563-Y568 HydrophobicContact CG-CD1 4.45Å; Y563-Y568 HydrophobicContact CG-CE1 4.04Å; Y563-T569 HydrophobicContact CG-CG2 4.48Å; Y563-I631 HydrophobicContact CE1-CD1 3.85Å; Y563-E678 WeakPolarHBondContact CD1-OE1 3.41Å
564E58.7Low78.8Confident167 Ų16764.8 Ų64.878%0.7834%0.343SS*.  trans-70134.2172.8-169.3175-172.200109.4G566E564-G566 PolarHBondContact O-N 2.99Å
565P70.5Confident78.9Confident116 Ų11662.5 Ų62.575%0.75334%0.335SS*.SBendtrans-55.1125.5179.7-27.834.9000112.7T569P565-T569 WeakPolarHBondContact CA-OG1 3.47Å
566G63.9Low79.2Confident28 Ų2862.2 Ų62.229%0.28933%0.334SS..SBendtrans-172.3-167.3177.500000112.7E564 Y568 T569 E570E564-G566 PolarHBondContact O-N 2.99Å; G566-Y568 PolarHBondContact O-N 3.42Å; G566-Y568 VanDerWaalsContact O-N 3.17Å; G566-T569 PolarHBondContact N-OG1 2.92Å; G566-T569 PolarHBondContact O-N 3.35Å; G566-T569 PolarHBondContact O-OG1 2.92Å; G566-E570 WeakPolarHBondContact O-CB 3.32Å; G566-E570 WeakPolarHBondContact O-CG 3.41Å; G566-E570 PolarHBondContact O-N 3.44Å
567V64.9Low79.5Confident115 Ų11568.3 Ų68.370%0.69736%0.36SS*.Hα-helixtrans-56-37.4-173.6-178.90000112.7K571V567-K571 VanDerWaalsContact O-CB 3.29Å; V567-K571 WeakPolarHBondContact O-CB 3.25Å; V567-K571 PolarHBondContact O-N 3.37Å
568Y71.4Confident79.7Confident28 Ų2871 Ų7111%0.1137%0.372CS..Hα-helixtrans-63.6-57.5176.2168-115000111.8M560 Y563 G566 E570 K571 V572 V628 I631M560-Y568 HydrophobicContact CE-CE1 4.11Å; M560-Y568 WeakPolarHBondContact CE-OH 3.06Å; M560-Y568 HydrophobicContact SD-CD1 4.43Å; M560-Y568 HydrophobicContact SD-CE1 3.68Å; Y563-Y568 HydrophobicContact CD1-CD1 4.23Å; Y563-Y568 AromaticContact CD1-CE1 3.83Å; Y563-Y568 HydrophobicContact CD1-CE1 3.83Å; Y563-Y568 HydrophobicContact CD2-CE1 4.36Å; Y563-Y568 AromaticContact CE1-CE1 4Å; Y563-Y568 HydrophobicContact CE1-CE1 4Å; Y563-Y568 HydrophobicContact CG-CD1 4.45Å; Y563-Y568 HydrophobicContact CG-CE1 4.04Å; G566-Y568 PolarHBondContact O-N 3.42Å; G566-Y568 VanDerWaalsContact O-N 3.17Å; Y568-E570 VanDerWaalsContact C-N 3.29Å; Y568-E570 PolarHBondContact O-N 3.41Å; Y568-K571 PolarHBondContact O-N 3.27Å; Y568-V572 HydrophobicContact CD2-CG2 4.03Å; Y568-V572 HydrophobicContact CE2-CG2 3.61Å; Y568-V572 WeakPolarHBondContact O-CG2 3.31Å; Y568-V572 PolarHBondContact O-N 2.99Å; Y568-V628 PolarHBondContact OH-O 2.91Å; Y568-I631 HydrophobicContact CD1-CD1 4.44Å; Y568-I631 HydrophobicContact CD1-CG2 4.08Å; Y568-I631 HydrophobicContact CD2-CB 4.39Å; Y568-I631 HydrophobicContact CD2-CG1 4.34Å; Y568-I631 HydrophobicContact CD2-CG2 3.29Å; Y568-I631 HydrophobicContact CE1-CD1 3.69Å; Y568-I631 HydrophobicContact CE1-CG1 4.32Å; Y568-I631 HydrophobicContact CE1-CG2 4.3Å; Y568-I631 HydrophobicContact CE2-CB 4.17Å; Y568-I631 HydrophobicContact CE2-CD1 3.96Å; Y568-I631 HydrophobicContact CE2-CG1 3.65Å; Y568-I631 HydrophobicContact CE2-CG2 3.54Å; Y568-I631 HydrophobicContact CG-CG2 3.58Å; Y568-I631 WeakPolarHBondContact OH-CD1 3.46Å
569T74.4Confident80.3Confident8 Ų868.5 Ų68.55%0.04936%0.355CS..Hα-helixtrans-62.3-37.7-179.456.70000111.4M560 Y563 P565 G566 L573M560-T569 HydrophobicContact SD-CG2 4.37Å; Y563-T569 HydrophobicContact CG-CG2 4.48Å; P565-T569 WeakPolarHBondContact CA-OG1 3.47Å; G566-T569 PolarHBondContact N-OG1 2.92Å; G566-T569 PolarHBondContact O-N 3.35Å; G566-T569 PolarHBondContact O-OG1 2.92Å; T569-L573 VanDerWaalsContact O-CB 3.24Å; T569-L573 WeakPolarHBondContact O-CB 3.44Å; T569-L573 WeakPolarHBondContact O-CG 3.4Å; T569-L573 PolarHBondContact O-N 2.8Å
570E79.7Confident81.1Confident113 Ų11369.1 Ų69.153%0.52836%0.362SS..Hα-helixtrans-61.2-48.5176-74.8173179.700111G566 Y568 V572 L573 E574G566-E570 WeakPolarHBondContact O-CB 3.32Å; G566-E570 WeakPolarHBondContact O-CG 3.41Å; G566-E570 PolarHBondContact O-N 3.44Å; Y568-E570 VanDerWaalsContact C-N 3.29Å; Y568-E570 PolarHBondContact O-N 3.41Å; E570-V572 PolarHBondContact O-N 3.2Å; E570-L573 PolarHBondContact O-N 3.37Å; E570-E574 WeakPolarHBondContact O-CB 3.48Å; E570-E574 VanDerWaalsContact O-CG 3.29Å; E570-E574 WeakPolarHBondContact O-CG 3.21Å; E570-E574 PolarHBondContact O-N 3.09Å
571K77.5Confident81.7Confident98 Ų9873.5 Ų73.543%0.42639%0.385SS..Hα-helixtrans-63.9-40.4-179.9-171.8172.8-172.6170.10113.1V567 Y568 A575 M630V567-K571 VanDerWaalsContact O-CB 3.29Å; V567-K571 WeakPolarHBondContact O-CB 3.25Å; V567-K571 PolarHBondContact O-N 3.37Å; Y568-K571 PolarHBondContact O-N 3.27Å; K571-A575 PolarHBondContact O-N 3.46Å; K571-M630 HydrophobicContact CD-SD 3.68Å; K571-M630 WeakPolarHBondContact CE-SD 3.45Å; K571-M630 VanDerWaalsContact NZ-CE 3.29Å; K571-M630 PolarHBondContact NZ-SD 3.5Å
572V81.8Confident82.6Confident0 Ų070.3 Ų70.30%037%0.373CS..Hα-helixtrans-65.7-46.2175.71760000110.5V556 M560 Y568 E570 E574 A575 T576 A627 V628V556-V572 HydrophobicContact CG1-CG1 3.31Å; M560-V572 HydrophobicContact CE-CG1 4.21Å; M560-V572 HydrophobicContact CG-CB 4.05Å; M560-V572 HydrophobicContact CG-CG1 3.6Å; M560-V572 HydrophobicContact SD-CB 3.74Å; M560-V572 HydrophobicContact SD-CG1 3.65Å; M560-V572 HydrophobicContact SD-CG2 3.92Å; Y568-V572 HydrophobicContact CD2-CG2 4.03Å; Y568-V572 HydrophobicContact CE2-CG2 3.61Å; Y568-V572 WeakPolarHBondContact O-CG2 3.31Å; Y568-V572 PolarHBondContact O-N 2.99Å; E570-V572 PolarHBondContact O-N 3.2Å; V572-E574 VanDerWaalsContact C-N 3.34Å; V572-E574 PolarHBondContact O-N 2.62Å; V572-A575 PolarHBondContact O-N 2.92Å; V572-T576 WeakPolarHBondContact O-CG2 3.39Å; V572-T576 PolarHBondContact O-N 2.86Å; V572-A627 HydrophobicContact CG2-CB 3.97Å; V572-V628 HydrophobicContact CG1-CG2 3.78Å; V572-V628 HydrophobicContact CG2-CG2 4.18Å
573L92Very high83.8Confident70 Ų7066.7 Ų66.737%0.36635%0.354SS..Hα-helixtrans-69-29.6180-68173.8000113T557 M560 T569 E570 T576 K577T557-L573 HydrophobicContact CG2-CD2 3.88Å; M560-L573 HydrophobicContact CB-CD2 4.2Å; M560-L573 HydrophobicContact CB-CG 4.44Å; M560-L573 HydrophobicContact CG-CD2 4.27Å; M560-L573 HydrophobicContact CG-CG 4.39Å; T569-L573 VanDerWaalsContact O-CB 3.24Å; T569-L573 WeakPolarHBondContact O-CB 3.44Å; T569-L573 WeakPolarHBondContact O-CG 3.4Å; T569-L573 PolarHBondContact O-N 2.8Å; E570-L573 PolarHBondContact O-N 3.37Å; L573-T576 WeakPolarHBondContact CA-OG1 3.33Å; L573-T576 PolarHBondContact O-OG1 3.41Å; L573-K577 WeakPolarHBondContact O-CB 3.29Å; L573-K577 PolarHBondContact O-N 2.97Å
574E92.7Very high85.3Confident132 Ų13265.8 Ų65.862%0.61735%0.352SS*.Hα-helixtrans-65.5-43.1170.9-79.6177.4179.500111.4E570 V572 K577 L578E570-E574 WeakPolarHBondContact O-CB 3.48Å; E570-E574 VanDerWaalsContact O-CG 3.29Å; E570-E574 WeakPolarHBondContact O-CG 3.21Å; E570-E574 PolarHBondContact O-N 3.09Å; V572-E574 VanDerWaalsContact C-N 3.34Å; V572-E574 PolarHBondContact O-N 2.62Å; E574-K577 PolarHBondContact O-N 3.41Å; E574-L578 WeakPolarHBondContact O-CB 3.47Å; E574-L578 PolarHBondContact O-N 3.2Å
575A93.3Very high87.2Confident18 Ų1861 Ų6115%0.14934%0.335CS..Hα-helixtrans-64.6-43.3176.600000112K571 V572 K577 L578 L579 I624 A627K571-A575 PolarHBondContact O-N 3.46Å; V572-A575 PolarHBondContact O-N 2.92Å; A575-K577 VanDerWaalsContact C-N 3.32Å; A575-K577 PolarHBondContact O-N 2.85Å; A575-L578 PolarHBondContact O-N 3.34Å; A575-L579 PolarHBondContact O-N 3.22Å; A575-L579 VanDerWaalsContact O-N 3.11Å; A575-I624 HydrophobicContact CB-CG1 3.82Å; A575-A627 HydrophobicContact CB-CB 4.47Å
576T96.6Very high88.4Confident5 Ų562.7 Ų62.73%0.03133%0.326CS..Hα-helixtrans-65.1-37.2175.860.30000111.9V556 V572 L573 L579 T580 I624V556-T576 HydrophobicContact CB-CG2 4.07Å; V556-T576 HydrophobicContact CG1-CG2 3.64Å; V572-T576 WeakPolarHBondContact O-CG2 3.39Å; V572-T576 PolarHBondContact O-N 2.86Å; L573-T576 WeakPolarHBondContact CA-OG1 3.33Å; L573-T576 PolarHBondContact O-OG1 3.41Å; T576-L579 PolarHBondContact O-N 3.22Å; T576-T580 WeakPolarHBondContact O-CB 3.5Å; T576-T580 PolarHBondContact O-N 3.05Å; T576-T580 PolarHBondContact O-OG1 3.24Å; T576-I624 HydrophobicContact CG2-CD1 3.99Å; T576-I624 HydrophobicContact CG2-CG1 4.09Å; T576-I624 HydrophobicContact CG2-CG2 4.12Å
577K96.2Very high90Very high129 Ų12961.4 Ų61.456%0.56131%0.313SS*.Hα-helixtrans-67.9-40.5176.4-170176.4-177.8-179.30112.2L573 E574 A575 L579 T580 D581L573-K577 WeakPolarHBondContact O-CB 3.29Å; L573-K577 PolarHBondContact O-N 2.97Å; E574-K577 PolarHBondContact O-N 3.41Å; A575-K577 VanDerWaalsContact C-N 3.32Å; A575-K577 PolarHBondContact O-N 2.85Å; K577-L579 VanDerWaalsContact C-N 3.33Å; K577-L579 PolarHBondContact O-N 3.38Å; K577-T580 PolarHBondContact O-N 3.47Å; K577-D581 WeakPolarHBondContact CE-OD2 3.45Å; K577-D581 WeakPolarHBondContact CG-OD2 3.46Å; K577-D581 VanDerWaalsContact O-CB 3.31Å; K577-D581 WeakPolarHBondContact O-CB 3.37Å; K577-D581 PolarHBondContact O-N 3.37Å
578L96.3Very high91.5Very high101 Ų10157.3 Ų57.353%0.52929%0.288SS..Hα-helixtrans-61-43.4175.1-178.366.4000111.5E574 A575 S582 V583E574-L578 WeakPolarHBondContact O-CB 3.47Å; E574-L578 PolarHBondContact O-N 3.2Å; A575-L578 PolarHBondContact O-N 3.34Å; L578-S582 WeakPolarHBondContact O-CB 3.45Å; L578-S582 PolarHBondContact O-N 3.15Å; L578-S582 VanDerWaalsContact O-N 3.16Å; L578-V583 PolarHBondContact O-N 2.87Å; L578-V583 VanDerWaalsContact O-N 3.14Å
579L97.4Very high92.6Very high1 Ų162 Ų621%0.00531%0.311CS..Iπ-helixtrans-59.6-48.717518063.5000111A549 V553 A575 T576 K577 V583 M584 I621 I624A549-L579 HydrophobicContact CB-CD2 4.48Å; V553-L579 HydrophobicContact CG2-CD2 3.95Å; A575-L579 PolarHBondContact O-N 3.22Å; A575-L579 VanDerWaalsContact O-N 3.11Å; T576-L579 PolarHBondContact O-N 3.22Å; K577-L579 VanDerWaalsContact C-N 3.33Å; K577-L579 PolarHBondContact O-N 3.38Å; L579-V583 HydrophobicContact CD1-CB 4.04Å; L579-V583 HydrophobicContact CD1-CG1 3.92Å; L579-V583 PolarHBondContact O-N 3.26Å; L579-M584 HydrophobicContact CD1-CG 4.04Å; L579-M584 HydrophobicContact CD1-SD 4.18Å; L579-M584 HydrophobicContact CG-CG 4.15Å; L579-M584 WeakPolarHBondContact O-CB 3.39Å; L579-M584 WeakPolarHBondContact O-CG 3.48Å; L579-M584 PolarHBondContact O-N 3.46Å; L579-I621 HydrophobicContact CD1-CG1 4.38Å; L579-I621 HydrophobicContact CD2-CD1 4.32Å; L579-I621 HydrophobicContact CD2-CG1 3.6Å; L579-I624 HydrophobicContact CB-CD1 4Å; L579-I624 HydrophobicContact CD2-CD1 3.42Å; L579-I624 VanDerWaalsContact CD2-CD1 3.42Å; L579-I624 HydrophobicContact CG-CD1 4.35Å
580T96.7Very high93.5Very high60 Ų6062.8 Ų62.837%0.36831%0.314SS..Iπ-helixtrans-72.2-46.1-173.9-52.30000113.2T576 K577 P585T576-T580 WeakPolarHBondContact O-CB 3.5Å; T576-T580 PolarHBondContact O-N 3.05Å; T576-T580 PolarHBondContact O-OG1 3.24Å; K577-T580 PolarHBondContact O-N 3.47Å; T580-P585 VanDerWaalsContact O-CD 3.26Å; T580-P585 WeakPolarHBondContact O-CD 3.35Å
581D96.8Very high94.2Very high95 Ų9557.6 Ų57.651%0.50829%0.29SS..Iπ-helixtrans-91.9-16-168.9-67-6.5000112.8K577K577-D581 WeakPolarHBondContact CE-OD2 3.45Å; K577-D581 WeakPolarHBondContact CG-OD2 3.46Å; K577-D581 VanDerWaalsContact O-CB 3.31Å; K577-D581 WeakPolarHBondContact O-CB 3.37Å; K577-D581 PolarHBondContact O-N 3.37Å
582S95.8Very high94.9Very high60 Ų6058 Ų5842%0.4229%0.294SS..Iπ-helixtrans-129.4-50.1-174.1-59.60000114L578L578-S582 WeakPolarHBondContact O-CB 3.45Å; L578-S582 PolarHBondContact O-N 3.15Å; L578-S582 VanDerWaalsContact O-N 3.16Å
583V97.5Very high95.3Very high15 Ų1560.7 Ų60.79%0.09131%0.313CS..Iπ-helixtrans-74.8-52.5-174.7174.90000111.7L578 L579 R586 F587 L616 V617L578-V583 PolarHBondContact O-N 2.87Å; L578-V583 VanDerWaalsContact O-N 3.14Å; L579-V583 HydrophobicContact CD1-CB 4.04Å; L579-V583 HydrophobicContact CD1-CG1 3.92Å; L579-V583 PolarHBondContact O-N 3.26Å; V583-R586 PolarHBondContact O-N 3.12Å; V583-F587 PolarHBondContact O-N 3.45Å; V583-L616 VanDerWaalsContact CG1-C 3.48Å; V583-L616 HydrophobicContact CG1-CB 3.9Å; V583-L616 WeakPolarHBondContact CG1-O 3.4Å; V583-V617 HydrophobicContact CG1-CB 4.42Å; V583-V617 HydrophobicContact CG1-CG2 3.96Å
584M97.6Very high95.3Very high23 Ų2357.4 Ų57.411%0.11330%0.295CS..Hα-helixtrans-63.5-39.3-177.5-70.8-53.7-53.500114.2R546 A549 L579 F587 T588 V617R546-M584 HydrophobicContact CB-CE 4.21Å; R546-M584 HydrophobicContact CG-CE 3.68Å; A549-M584 HydrophobicContact CB-CE 4Å; A549-M584 HydrophobicContact CB-CG 4.17Å; A549-M584 HydrophobicContact CB-SD 3.5Å; A549-M584 WeakPolarHBondContact CB-SD 3.45Å; L579-M584 HydrophobicContact CD1-CG 4.04Å; L579-M584 HydrophobicContact CD1-SD 4.18Å; L579-M584 HydrophobicContact CG-CG 4.15Å; L579-M584 WeakPolarHBondContact O-CB 3.39Å; L579-M584 WeakPolarHBondContact O-CG 3.48Å; L579-M584 PolarHBondContact O-N 3.46Å; M584-F587 HydrophobicContact CE-CD1 3.96Å; M584-F587 PolarHBondContact O-N 3.32Å; M584-T588 WeakPolarHBondContact O-CB 3.44Å; M584-T588 PolarHBondContact O-N 2.87Å; M584-T588 PolarHBondContact O-OG1 3.3Å; M584-V617 HydrophobicContact SD-CG1 3.85Å; M584-V617 HydrophobicContact SD-CG2 3.99Å
585P97.4Very high95.2Very high65 Ų6552.6 Ų52.642%0.42228%0.275SS..Hα-helixtrans-61.3-43.6173.7-26.836.8000112.7T580 T588 E589T580-P585 VanDerWaalsContact O-CD 3.26Å; T580-P585 WeakPolarHBondContact O-CD 3.35Å; P585-T588 PolarHBondContact O-N 2.86Å; P585-E589 PolarHBondContact O-N 2.97Å
586R96.2Very high95Very high153 Ų15358.3 Ų58.358%0.57730%0.298SS*.Hα-helixtrans-61.9-46.1176-85.3179.6151-161.9-9.3112.5V583 T588 E589 Q590V583-R586 PolarHBondContact O-N 3.12Å; R586-T588 VanDerWaalsContact C-N 3.3Å; R586-T588 PolarHBondContact O-N 3.43Å; R586-E589 PolarHBondContact O-N 3.36Å; R586-Q590 WeakPolarHBondContact O-CG 3.44Å; R586-Q590 PolarHBondContact O-N 3.02Å
587F97.4Very high94.6Very high0 Ų058.5 Ų58.50%030%0.3CS..Hα-helixtrans-59.4-43.6175.4171.8-105.9000111.5A542 I545 R546 V583 M584 Q590 V591 V617A542-F587 HydrophobicContact CB-CE1 4.17Å; A542-F587 HydrophobicContact CB-CZ 4.04Å; I545-F587 HydrophobicContact CB-CE1 4Å; I545-F587 HydrophobicContact CB-CZ 4.16Å; I545-F587 HydrophobicContact CD1-CE1 4.35Å; I545-F587 HydrophobicContact CD1-CE2 4.29Å; I545-F587 HydrophobicContact CD1-CZ 3.63Å; I545-F587 HydrophobicContact CG2-CD1 4.26Å; I545-F587 HydrophobicContact CG2-CE1 3.7Å; I545-F587 HydrophobicContact CG2-CZ 3.99Å; R546-F587 HydrophobicContact CG-CE1 4.42Å; V583-F587 PolarHBondContact O-N 3.45Å; M584-F587 HydrophobicContact CE-CD1 3.96Å; M584-F587 PolarHBondContact O-N 3.32Å; F587-Q590 PolarHBondContact O-N 2.99Å; F587-V591 HydrophobicContact CD1-CG2 4.41Å; F587-V591 HydrophobicContact CD2-CG2 4.25Å; F587-V591 HydrophobicContact CE1-CG2 3.93Å; F587-V591 HydrophobicContact CE2-CG2 3.74Å; F587-V591 HydrophobicContact CZ-CG2 3.56Å; F587-V591 WeakPolarHBondContact O-CG2 3.45Å; F587-V591 PolarHBondContact O-N 2.96Å; F587-V617 HydrophobicContact CB-CG2 3.72Å; F587-V617 HydrophobicContact CD1-CG2 4.23Å; F587-V617 HydrophobicContact CD2-CG2 4.02Å; F587-V617 HydrophobicContact CG-CG2 3.71Å
588T95.9Very high94.2Very high29 Ų2954.2 Ų54.218%0.17828%0.283CS..Hα-helixtrans-63.5-44.7179.6-55.30000111.8M584 P585 R586 Q590 V591 E592M584-T588 WeakPolarHBondContact O-CB 3.44Å; M584-T588 PolarHBondContact O-N 2.87Å; M584-T588 PolarHBondContact O-OG1 3.3Å; P585-T588 PolarHBondContact O-N 2.86Å; R586-T588 VanDerWaalsContact C-N 3.3Å; R586-T588 PolarHBondContact O-N 3.43Å; T588-Q590 VanDerWaalsContact C-N 3.33Å; T588-Q590 PolarHBondContact O-N 2.99Å; T588-V591 PolarHBondContact O-N 2.8Å; T588-E592 WeakPolarHBondContact O-CG 3.29Å; T588-E592 PolarHBondContact O-N 2.91Å
589E94.8Very high93.7Very high127 Ų12753.3 Ų53.359%0.59329%0.286SS*.Hα-helixtrans-59.4-42.5176-177.6178.6-170.500111.8P585 R586 E592 S593P585-E589 PolarHBondContact O-N 2.97Å; R586-E589 PolarHBondContact O-N 3.36Å; E589-E592 PolarHBondContact O-N 3.32Å; E589-S593 WeakPolarHBondContact O-CB 3.37Å; E589-S593 PolarHBondContact O-N 3.34Å
590Q94.2Very high93.1Very high24 Ų2456.4 Ų56.411%0.11231%0.312CS..Hα-helixtrans-67.5-38.1178.1-70.9-63.7-31.500112.6R586 F587 T588 A594 E609 F610 A613R586-Q590 WeakPolarHBondContact O-CG 3.44Å; R586-Q590 PolarHBondContact O-N 3.02Å; F587-Q590 PolarHBondContact O-N 2.99Å; T588-Q590 VanDerWaalsContact C-N 3.33Å; T588-Q590 PolarHBondContact O-N 2.99Å; Q590-A594 VanDerWaalsContact O-CB 3.26Å; Q590-A594 WeakPolarHBondContact O-CB 3.42Å; Q590-A594 PolarHBondContact O-N 3.04Å; Q590-E609 PolarHBondContact NE2-OE1 3.08Å; Q590-E609 PolarHBondContact NE2-OE2 3.23Å; Q590-F610 HydrophobicContact CB-CD2 4Å; Q590-A613 HydrophobicContact CB-CB 4.24Å; Q590-A613 HydrophobicContact CG-CB 3.85Å
591V94.6Very high91.8Very high4 Ų457 Ų572%0.02433%0.329CS..Hα-helixtrans-63.5-48.3172.7171.20000111.1A542 F587 T588 S593 A594 V595 F610A542-V591 HydrophobicContact CB-CB 4.23Å; A542-V591 HydrophobicContact CB-CG1 3.55Å; A542-V591 HydrophobicContact CB-CG2 3.7Å; F587-V591 HydrophobicContact CD1-CG2 4.41Å; F587-V591 HydrophobicContact CD2-CG2 4.25Å; F587-V591 HydrophobicContact CE1-CG2 3.93Å; F587-V591 HydrophobicContact CE2-CG2 3.74Å; F587-V591 HydrophobicContact CZ-CG2 3.56Å; F587-V591 WeakPolarHBondContact O-CG2 3.45Å; F587-V591 PolarHBondContact O-N 2.96Å; T588-V591 PolarHBondContact O-N 2.8Å; V591-S593 PolarHBondContact O-N 3.49Å; V591-A594 PolarHBondContact O-N 3.11Å; V591-V595 HydrophobicContact CG1-CG2 4.3Å; V591-V595 WeakPolarHBondContact O-CB 3.29Å; V591-V595 VanDerWaalsContact O-CG2 3.3Å; V591-V595 WeakPolarHBondContact O-CG2 3.32Å; V591-V595 PolarHBondContact O-N 3.13Å; V591-F610 HydrophobicContact CB-CE2 4.44Å; V591-F610 HydrophobicContact CG2-CE2 3.74Å; V591-F610 HydrophobicContact CG2-CZ 4.12Å
592E92.2Very high90.1Very high107 Ų10757.2 Ų57.250%0.534%0.338SS..Hα-helixtrans-59.8-46.7178.9-73.2173.5-178.700110.9T588 E589 A594 V595 E596T588-E592 WeakPolarHBondContact O-CG 3.29Å; T588-E592 PolarHBondContact O-N 2.91Å; E589-E592 PolarHBondContact O-N 3.32Å; E592-A594 PolarHBondContact O-N 3.45Å; E592-V595 PolarHBondContact O-N 3.01Å; E592-E596 WeakPolarHBondContact O-CB 3.47Å; E592-E596 WeakPolarHBondContact O-CG 3.14Å; E592-E596 PolarHBondContact O-N 3.09Å
593S90.8Very high88.6Confident57 Ų5761.1 Ų61.140%0.39935%0.35SS..Hα-helixtrans-61.1-43.1176.8-173.10000112.6E589 V591 E596 A597E589-S593 WeakPolarHBondContact O-CB 3.37Å; E589-S593 PolarHBondContact O-N 3.34Å; V591-S593 PolarHBondContact O-N 3.49Å; S593-E596 PolarHBondContact O-N 3.05Å; S593-A597 VanDerWaalsContact O-CB 3.26Å; S593-A597 WeakPolarHBondContact O-CB 3.44Å; S593-A597 PolarHBondContact O-N 3.13Å
594A91.1Very high87.4Confident0 Ų066.5 Ų66.50%039%0.385CS..Hα-helixtrans-65.4-44177.800000112.3L530 L538 Q590 V591 E592 A597 L598 V605 F610L530-A594 HydrophobicContact CD1-CB 3.82Å; L538-A594 HydrophobicContact CD2-CB 3.92Å; Q590-A594 VanDerWaalsContact O-CB 3.26Å; Q590-A594 WeakPolarHBondContact O-CB 3.42Å; Q590-A594 PolarHBondContact O-N 3.04Å; V591-A594 PolarHBondContact O-N 3.11Å; E592-A594 PolarHBondContact O-N 3.45Å; A594-A597 PolarHBondContact O-N 3.01Å; A594-L598 VanDerWaalsContact O-CB 3.32Å; A594-L598 WeakPolarHBondContact O-CB 3.49Å; A594-L598 VanDerWaalsContact O-CG 3.23Å; A594-L598 WeakPolarHBondContact O-CG 3.34Å; A594-L598 PolarHBondContact O-N 2.83Å; A594-V605 HydrophobicContact CB-CG1 3.98Å; A594-V605 HydrophobicContact CB-CG2 4.38Å; A594-F610 HydrophobicContact CB-CD2 4.17Å; A594-F610 HydrophobicContact CB-CE2 4.29Å
595V90.7Very high86.5Confident32 Ų3267 Ų6719%0.19439%0.39CS..Hα-helixtrans-61.6-45.4176167.10000110.8V535 L538 V591 E592 S599V535-V595 HydrophobicContact CG1-CG1 3.87Å; V535-V595 HydrophobicContact CG1-CG2 4.41Å; L538-V595 HydrophobicContact CD2-CG2 3.79Å; L538-V595 HydrophobicContact CG-CG2 4.24Å; V591-V595 HydrophobicContact CG1-CG2 4.3Å; V591-V595 WeakPolarHBondContact O-CB 3.29Å; V591-V595 VanDerWaalsContact O-CG2 3.3Å; V591-V595 WeakPolarHBondContact O-CG2 3.32Å; V591-V595 PolarHBondContact O-N 3.13Å; E592-V595 PolarHBondContact O-N 3.01Å; V595-S599 WeakPolarHBondContact O-CB 3.34Å; V595-S599 PolarHBondContact O-N 3.1Å; V595-S599 PolarHBondContact O-OG 3.11Å
596E89Confident86Confident137 Ų13768 Ų6864%0.6439%0.391SS*.Hα-helixtrans-62.8-46.9177.3-75.7-175.3175.600111.9E592 S593 L598 S599 A600E592-E596 WeakPolarHBondContact O-CB 3.47Å; E592-E596 WeakPolarHBondContact O-CG 3.14Å; E592-E596 PolarHBondContact O-N 3.09Å; S593-E596 PolarHBondContact O-N 3.05Å; E596-L598 PolarHBondContact O-N 3.04Å; E596-S599 PolarHBondContact O-N 3.5Å; E596-A600 VanDerWaalsContact O-CB 3.22Å; E596-A600 WeakPolarHBondContact O-CB 3.03Å; E596-A600 PolarHBondContact O-N 3.39Å
597A88.4Confident85.6Confident9 Ų965.1 Ų65.17%0.07438%0.384CS..Hα-helixtrans-63.8-42.2-179.500000112.4S593 A594 G601 Q603 V605S593-A597 VanDerWaalsContact O-CB 3.26Å; S593-A597 WeakPolarHBondContact O-CB 3.44Å; S593-A597 PolarHBondContact O-N 3.13Å; A594-A597 PolarHBondContact O-N 3.01Å; A597-G601 PolarHBondContact O-N 3.24Å; A597-G601 VanDerWaalsContact O-N 3.07Å; A597-Q603 HydrophobicContact CB-CB 4.15Å; A597-V605 HydrophobicContact CB-CG2 3.73Å
598L87.6Confident85.2Confident39 Ų3971.3 Ų71.320%0.20442%0.417CS..Hα-helixtrans-68.1-40.3176.2-72.3174.3000112L530 K533 V535 L538 A594 E596 G601 V605L530-L598 HydrophobicContact CD1-CD1 4.01Å; K533-L598 HydrophobicContact CB-CD2 3.92Å; K533-L598 HydrophobicContact CD-CD2 4.17Å; K533-L598 HydrophobicContact CG-CD2 3.8Å; V535-L598 HydrophobicContact CG2-CB 3.74Å; V535-L598 HydrophobicContact CG2-CD1 4.29Å; L538-L598 HydrophobicContact CD2-CD1 4.16Å; A594-L598 VanDerWaalsContact O-CB 3.32Å; A594-L598 WeakPolarHBondContact O-CB 3.49Å; A594-L598 VanDerWaalsContact O-CG 3.23Å; A594-L598 WeakPolarHBondContact O-CG 3.34Å; A594-L598 PolarHBondContact O-N 2.83Å; E596-L598 PolarHBondContact O-N 3.04Å; L598-G601 PolarHBondContact O-N 3.45Å; L598-V605 HydrophobicContact CG-CG2 4.41Å
599S86.2Confident84.9Confident82 Ų8274.8 Ų74.857%0.57343%0.432SS*.Hα-helixtrans-69.4-36.8178.3-60.30000112.6V595 E596V595-S599 WeakPolarHBondContact O-CB 3.34Å; V595-S599 PolarHBondContact O-N 3.1Å; V595-S599 PolarHBondContact O-OG 3.11Å; E596-S599 PolarHBondContact O-N 3.5Å
600A83.8Confident84.9Confident67 Ų6768.7 Ų68.755%0.55440%0.403SS*.Hα-helixtrans-81.8-12.6178.300000113.4E596 S602E596-A600 VanDerWaalsContact O-CB 3.22Å; E596-A600 WeakPolarHBondContact O-CB 3.03Å; E596-A600 PolarHBondContact O-N 3.39Å; A600-S602 WeakPolarHBondContact O-CB 3.38Å; A600-S602 PolarHBondContact O-N 3.02Å; A600-S602 VanDerWaalsContact O-N 3.09Å; A600-S602 PolarHBondContact O-OG 3.37Å
601G70.3Confident84.8Confident71 Ų7170.8 Ų70.873%0.73241%0.414SS*.THydrogen-bonded Turntrans61.316.8176.800000115.5A597 L598A597-G601 PolarHBondContact O-N 3.24Å; A597-G601 VanDerWaalsContact O-N 3.07Å; L598-G601 PolarHBondContact O-N 3.45Å
602S60.1Low84.7Confident101 Ų10174.7 Ų74.771%0.70644%0.435SS*.  trans-129.1-9.4-160.7-58.10000115.7A600A600-S602 WeakPolarHBondContact O-CB 3.38Å; A600-S602 PolarHBondContact O-N 3.02Å; A600-S602 VanDerWaalsContact O-N 3.09Å; A600-S602 PolarHBondContact O-OG 3.37Å
603Q63.9Low84.8Confident142 Ų14270 Ų7066%0.66441%0.414SS*.SBendtrans-127.3137.5179.5-69-163.9-12.900112A597 V605A597-Q603 HydrophobicContact CB-CB 4.15Å; Q603-V605 PolarHBondContact O-N 3.04Å
604P73.1Confident85Confident128 Ų12867.2 Ų67.283%0.83140%0.395SS*.  trans-68.1124.7169.128.3-30.5000108.9
605V79.4Confident85.1Confident34 Ų3474.5 Ų74.521%0.20642%0.423CS..  trans-71.3134.7170.1-177.60000108.1L530 A594 A597 L598 Q603 E607L530-V605 HydrophobicContact CD1-CG1 4.09Å; L530-V605 HydrophobicContact CD1-CG2 4.47Å; L530-V605 HydrophobicContact CD2-CG1 4.35Å; A594-V605 HydrophobicContact CB-CG1 3.98Å; A594-V605 HydrophobicContact CB-CG2 4.38Å; A597-V605 HydrophobicContact CB-CG2 3.73Å; L598-V605 HydrophobicContact CG-CG2 4.41Å; Q603-V605 PolarHBondContact O-N 3.04Å; V605-E607 VanDerWaalsContact C-N 3.29Å; V605-E607 PolarHBondContact O-N 3.21Å
606D86.1Confident85.3Confident85 Ų8575.6 Ų75.646%0.45543%0.427SS..  trans-75.387.7167.6-166.3-25.9000109.1N608 E609 F610D606-N608 PolarHBondContact O-N 3.09Å; D606-N608 WeakPolarHBondContact OD1-CB 3.34Å; D606-N608 PolarHBondContact OD1-N 2.87Å; D606-N608 VanDerWaalsContact OD1-N 3.09Å; D606-E609 HydrophobicContact CB-CB 4.09Å; D606-E609 PolarHBondContact O-N 2.82Å; D606-E609 PolarHBondContact OD1-N 3.13Å; D606-F610 PolarHBondContact O-N 3.45Å; D606-F610 VanDerWaalsContact O-N 3.08Å
607E87.8Confident85.7Confident93 Ų9369 Ų6944%0.43540%0.397SS..Hα-helixtrans-58.5-29.3179.7-66.6-178.7-166.700112.3L530 V605 I611L530-E607 HydrophobicContact CD2-CG 4.2Å; V605-E607 VanDerWaalsContact C-N 3.29Å; V605-E607 PolarHBondContact O-N 3.21Å; E607-I611 WeakPolarHBondContact O-CB 3.4Å; E607-I611 WeakPolarHBondContact O-CD1 3.48Å; E607-I611 WeakPolarHBondContact O-CG1 2.71Å; E607-I611 PolarHBondContact O-N 3.29Å
608N89.4Confident86Confident129 Ų12970.4 Ų70.469%0.6940%0.4SS*.Hα-helixtrans-71.9-42.8179.9-66.6-54.6000111.3D606 F610 I611 D612D606-N608 PolarHBondContact O-N 3.09Å; D606-N608 WeakPolarHBondContact OD1-CB 3.34Å; D606-N608 PolarHBondContact OD1-N 2.87Å; D606-N608 VanDerWaalsContact OD1-N 3.09Å; N608-F610 VanDerWaalsContact C-N 3.33Å; N608-I611 PolarHBondContact O-N 3.3Å; N608-D612 WeakPolarHBondContact O-CB 3.42Å; N608-D612 PolarHBondContact O-N 3.26Å
609E90.3Very high86Confident102 Ų10270.5 Ų70.548%0.47740%0.401SS..Hα-helixtrans-65.9-38.6176.7-164.7175.8-168.600111.2Q590 D606 D612 A613Q590-E609 PolarHBondContact NE2-OE1 3.08Å; Q590-E609 PolarHBondContact NE2-OE2 3.23Å; D606-E609 HydrophobicContact CB-CB 4.09Å; D606-E609 PolarHBondContact O-N 2.82Å; D606-E609 PolarHBondContact OD1-N 3.13Å; E609-D612 PolarHBondContact O-N 2.98Å; E609-A613 WeakPolarHBondContact O-CB 3.43Å; E609-A613 PolarHBondContact O-N 3.42Å
610F92.9Very high86.3Confident0 Ų067.1 Ų67.10%038%0.379CS..Hα-helixtrans-63.3-46.3174.2-174.5-85.6000112.6V527 L530 L538 Q590 V591 A594 D606 N608 D612 A613 S614V527-F610 HydrophobicContact CG2-CD1 4.44Å; V527-F610 HydrophobicContact CG2-CE1 4.22Å; L530-F610 HydrophobicContact CB-CE1 4.45Å; L530-F610 HydrophobicContact CD2-CB 3.91Å; L530-F610 HydrophobicContact CD2-CD1 3.44Å; L530-F610 VanDerWaalsContact CD2-CD1 3.44Å; L530-F610 HydrophobicContact CD2-CD2 4.24Å; L530-F610 HydrophobicContact CD2-CE1 4Å; L530-F610 HydrophobicContact CD2-CG 3.58Å; L538-F610 HydrophobicContact CD1-CE1 4.44Å; L538-F610 HydrophobicContact CD1-CE2 4.25Å; L538-F610 HydrophobicContact CD1-CZ 3.69Å; Q590-F610 HydrophobicContact CB-CD2 4Å; V591-F610 HydrophobicContact CB-CE2 4.44Å; V591-F610 HydrophobicContact CG2-CE2 3.74Å; V591-F610 HydrophobicContact CG2-CZ 4.12Å; A594-F610 HydrophobicContact CB-CD2 4.17Å; A594-F610 HydrophobicContact CB-CE2 4.29Å; D606-F610 PolarHBondContact O-N 3.45Å; D606-F610 VanDerWaalsContact O-N 3.08Å; N608-F610 VanDerWaalsContact C-N 3.33Å; F610-D612 VanDerWaalsContact C-N 3.34Å; F610-A613 PolarHBondContact O-N 3.26Å; F610-S614 WeakPolarHBondContact CE1-OG 3.21Å; F610-S614 WeakPolarHBondContact O-CB 3.31Å; F610-S614 PolarHBondContact O-N 3.1Å; F610-S614 PolarHBondContact O-OG 3.31Å
611I92.5Very high86.7Confident67 Ų6763.9 Ų63.934%0.34435%0.352SS..Hα-helixtrans-63.9-41178.3-70.3164.8000110.5V527 E607 N608 S614 R615V527-I611 HydrophobicContact CG1-CD1 4.24Å; V527-I611 HydrophobicContact CG1-CG1 3.93Å; V527-I611 HydrophobicContact CG2-CG1 4.13Å; E607-I611 WeakPolarHBondContact O-CB 3.4Å; E607-I611 WeakPolarHBondContact O-CD1 3.48Å; E607-I611 WeakPolarHBondContact O-CG1 2.71Å; E607-I611 PolarHBondContact O-N 3.29Å; N608-I611 PolarHBondContact O-N 3.3Å; I611-S614 PolarHBondContact O-N 3.24Å; I611-R615 VanDerWaalsContact O-CB 3.3Å; I611-R615 WeakPolarHBondContact O-CB 3.39Å; I611-R615 PolarHBondContact O-N 2.83Å
612D93.4Very high87.5Confident87 Ų8765.4 Ų65.447%0.46534%0.336SS..Hα-helixtrans-62.9-48.5176-169.460.1000111.2N608 E609 F610 S614 R615 L616N608-D612 WeakPolarHBondContact O-CB 3.42Å; N608-D612 PolarHBondContact O-N 3.26Å; E609-D612 PolarHBondContact O-N 2.98Å; F610-D612 VanDerWaalsContact C-N 3.34Å; D612-S614 VanDerWaalsContact C-N 3.31Å; D612-S614 PolarHBondContact O-N 3.27Å; D612-R615 PolarHBondContact O-N 2.97Å; D612-L616 WeakPolarHBondContact O-CG 3.48Å; D612-L616 PolarHBondContact O-N 3.37Å
613A94.4Very high88.7Confident7 Ų764.1 Ų64.16%0.05832%0.321CS..Hα-helixtrans-60-40.4176.900000112.5Q590 E609 F610 L616 V617Q590-A613 HydrophobicContact CB-CB 4.24Å; Q590-A613 HydrophobicContact CG-CB 3.85Å; E609-A613 WeakPolarHBondContact O-CB 3.43Å; E609-A613 PolarHBondContact O-N 3.42Å; F610-A613 PolarHBondContact O-N 3.26Å; A613-L616 PolarHBondContact O-N 3.3Å; A613-V617 PolarHBondContact O-N 3.03Å
614S94.2Very high89.9Confident0 Ų057.4 Ų57.40%029%0.29CS..Hα-helixtrans-68.5-40.3177.6-55.80000112F610 I611 D612 L616 V617F610-S614 WeakPolarHBondContact CE1-OG 3.21Å; F610-S614 WeakPolarHBondContact O-CB 3.31Å; F610-S614 PolarHBondContact O-N 3.1Å; F610-S614 PolarHBondContact O-OG 3.31Å; I611-S614 PolarHBondContact O-N 3.24Å; D612-S614 VanDerWaalsContact C-N 3.31Å; D612-S614 PolarHBondContact O-N 3.27Å; S614-L616 VanDerWaalsContact C-N 3.33Å; S614-L616 PolarHBondContact O-N 3.48Å; S614-V617 WeakPolarHBondContact O-CB 3.5Å; S614-V617 PolarHBondContact O-N 3.02Å
615R93.6Very high90.4Very high152 Ų15252.6 Ų52.657%0.57426%0.255SS*.Hα-helixtrans-62.6-39.5174.7179.2-177.2172.5169.14.1111.9I611 D612 V617 Y618 D619I611-R615 VanDerWaalsContact O-CB 3.3Å; I611-R615 WeakPolarHBondContact O-CB 3.39Å; I611-R615 PolarHBondContact O-N 2.83Å; D612-R615 PolarHBondContact O-N 2.97Å; R615-V617 PolarHBondContact O-N 3.29Å; R615-Y618 WeakPolarHBondContact O-CB 3.29Å; R615-Y618 PolarHBondContact O-N 3.45Å; R615-Y618 VanDerWaalsContact O-N 3.13Å; R615-D619 IonicContact NE-OD2 3.4Å; R615-D619 PolarHBondContact NE-OD2 2.87Å; R615-D619 PolarHBondContact O-N 2.89Å
616L95.2Very high90.2Very high55 Ų5555.4 Ų55.429%0.28826%0.264SS..Hα-helixtrans-60.1-30.2177.6-73172.9000112.5V583 D612 A613 S614 G620V583-L616 VanDerWaalsContact CG1-C 3.48Å; V583-L616 HydrophobicContact CG1-CB 3.9Å; V583-L616 WeakPolarHBondContact CG1-O 3.4Å; D612-L616 WeakPolarHBondContact O-CG 3.48Å; D612-L616 PolarHBondContact O-N 3.37Å; A613-L616 PolarHBondContact O-N 3.3Å; S614-L616 VanDerWaalsContact C-N 3.33Å; S614-L616 PolarHBondContact O-N 3.48Å; L616-G620 PolarHBondContact O-N 3.21Å
617V97Very high89.7Confident0 Ų051.6 Ų51.60%025%0.245CC..Hα-helixtrans-64.6-47.8174.3-177.50000110.9I519 I545 V583 M584 F587 A613 S614 R615 G620 I621I519-V617 HydrophobicContact CG2-CG1 4.2Å; I545-V617 HydrophobicContact CG2-CB 4.47Å; I545-V617 HydrophobicContact CG2-CG1 3.71Å; I545-V617 HydrophobicContact CG2-CG2 4.48Å; V583-V617 HydrophobicContact CG1-CB 4.42Å; V583-V617 HydrophobicContact CG1-CG2 3.96Å; M584-V617 HydrophobicContact SD-CG1 3.85Å; M584-V617 HydrophobicContact SD-CG2 3.99Å; F587-V617 HydrophobicContact CB-CG2 3.72Å; F587-V617 HydrophobicContact CD1-CG2 4.23Å; F587-V617 HydrophobicContact CD2-CG2 4.02Å; F587-V617 HydrophobicContact CG-CG2 3.71Å; A613-V617 PolarHBondContact O-N 3.03Å; S614-V617 WeakPolarHBondContact O-CB 3.5Å; S614-V617 PolarHBondContact O-N 3.02Å; R615-V617 PolarHBondContact O-N 3.29Å; V617-G620 PolarHBondContact O-N 2.89Å; V617-I621 HydrophobicContact CG1-CD1 4.24Å; V617-I621 PolarHBondContact O-N 2.95Å; V617-I621 VanDerWaalsContact O-N 3.08Å
618Y93.9Very high89Confident38 Ų3847.2 Ų47.215%0.14922%0.224CC..Hα-helixtrans-60.5-49175.2169.8-98.7000111.5E516 L520 R615 G620 I621 R622E516-Y618 HydrophobicContact CG-CD2 4.27Å; E516-Y618 HydrophobicContact CG-CE2 3.54Å; E516-Y618 PolarHBondContact OE1-OH 3.42Å; L520-Y618 HydrophobicContact CB-CD2 3.76Å; L520-Y618 HydrophobicContact CB-CE2 3.85Å; L520-Y618 HydrophobicContact CD1-CD2 4.05Å; L520-Y618 HydrophobicContact CD1-CE2 4.19Å; L520-Y618 HydrophobicContact CD1-CG 4.32Å; L520-Y618 HydrophobicContact CD2-CE2 4.24Å; L520-Y618 HydrophobicContact CG-CD2 4.4Å; L520-Y618 HydrophobicContact CG-CE2 4.32Å; R615-Y618 WeakPolarHBondContact O-CB 3.29Å; R615-Y618 PolarHBondContact O-N 3.45Å; R615-Y618 VanDerWaalsContact O-N 3.13Å; Y618-G620 VanDerWaalsContact C-N 3.32Å; Y618-G620 PolarHBondContact O-N 3.3Å; Y618-I621 PolarHBondContact O-N 3.47Å; Y618-R622 VanDerWaalsContact O-CB 3.31Å; Y618-R622 WeakPolarHBondContact O-CB 3.33Å; Y618-R622 PolarHBondContact O-N 3.01Å
619D88.2Confident88Confident40 Ų4042.2 Ų42.221%0.21420%0.198CC..Hα-helixtrans-62-39.5179.9-75.4-27.2000111.4R615 R622 D623R615-D619 IonicContact NE-OD2 3.4Å; R615-D619 PolarHBondContact NE-OD2 2.87Å; R615-D619 PolarHBondContact O-N 2.89Å; D619-R622 PolarHBondContact O-N 3.28Å; D619-D623 WeakPolarHBondContact O-CB 3.4Å; D619-D623 VanDerWaalsContact O-CG 3.27Å; D619-D623 PolarHBondContact O-N 3.02Å
620G92.9Very high86.5Confident11 Ų1141.9 Ų41.911%0.11320%0.197CC..Hα-helixtrans-63.3-43.5176.300000113.4L616 V617 Y618 D623 I624L616-G620 PolarHBondContact O-N 3.21Å; V617-G620 PolarHBondContact O-N 2.89Å; Y618-G620 VanDerWaalsContact C-N 3.32Å; Y618-G620 PolarHBondContact O-N 3.3Å; G620-D623 PolarHBondContact O-N 3.48Å; G620-I624 WeakPolarHBondContact O-CG1 3.48Å; G620-I624 PolarHBondContact O-N 2.93Å
621I92.6Very high84.3Confident0 Ų042.7 Ų42.70%020%0.201CC..Hα-helixtrans-68.9-39.6176.7-71.1174000111E516 I519 A549 L579 V617 Y618 D623 I624 R625E516-I621 HydrophobicContact CB-CG2 4.47Å; I519-I621 HydrophobicContact CB-CD1 4.28Å; I519-I621 HydrophobicContact CD1-CD1 3.48Å; I519-I621 VanDerWaalsContact CD1-CD1 3.48Å; I519-I621 HydrophobicContact CG1-CD1 3.41Å; I519-I621 VanDerWaalsContact CG1-CD1 3.41Å; I519-I621 HydrophobicContact CG2-CD1 4.15Å; A549-I621 HydrophobicContact CB-CD1 4.1Å; L579-I621 HydrophobicContact CD1-CG1 4.38Å; L579-I621 HydrophobicContact CD2-CD1 4.32Å; L579-I621 HydrophobicContact CD2-CG1 3.6Å; V617-I621 HydrophobicContact CG1-CD1 4.24Å; V617-I621 PolarHBondContact O-N 2.95Å; V617-I621 VanDerWaalsContact O-N 3.08Å; Y618-I621 PolarHBondContact O-N 3.47Å; I621-D623 VanDerWaalsContact C-N 3.3Å; I621-D623 PolarHBondContact O-N 3.16Å; I621-I624 PolarHBondContact O-N 2.89Å; I621-R625 PolarHBondContact O-N 2.77Å
622R86.5Confident81.8Confident102 Ų10242 Ų4239%0.38519%0.194SC..Hα-helixtrans-61.8-38.6173.7-173.4-179.6-177.6-172.35111.9E516 Y618 D619 R625 K626E516-R622 IonicContact OE1-NE 2.84Å; Y618-R622 VanDerWaalsContact O-CB 3.31Å; Y618-R622 WeakPolarHBondContact O-CB 3.33Å; Y618-R622 PolarHBondContact O-N 3.01Å; D619-R622 PolarHBondContact O-N 3.28Å; R622-R625 PolarHBondContact O-N 3.4Å; R622-K626 WeakPolarHBondContact O-CG 3.37Å; R622-K626 PolarHBondContact O-N 3.4Å
623D84.9Confident79.2Confident75 Ų7537.9 Ų37.940%0.40117%0.173SC..Hα-helixtrans-71.2-36.2177.5-75.5-13.7000112.5D619 G620 I621 K626 A627D619-D623 WeakPolarHBondContact O-CB 3.4Å; D619-D623 VanDerWaalsContact O-CG 3.27Å; D619-D623 PolarHBondContact O-N 3.02Å; G620-D623 PolarHBondContact O-N 3.48Å; I621-D623 VanDerWaalsContact C-N 3.3Å; I621-D623 PolarHBondContact O-N 3.16Å; D623-K626 PolarHBondContact O-N 3.16Å; D623-K626 IonicContact OD1-NZ 3.9Å; D623-K626 PolarHBondContact OD1-NZ 3.04Å; D623-A627 WeakPolarHBondContact O-CB 3.47Å; D623-A627 PolarHBondContact O-N 3.31Å
624I89.6Confident76.3Confident0 Ų040.8 Ų40.80%019%0.191CC..Hα-helixtrans-59.1-48.7168.3-68.3164.8000110.2V552 V556 A575 T576 L579 G620 I621 K626 A627 V628V552-I624 HydrophobicContact CG1-CD1 4.44Å; V552-I624 HydrophobicContact CG1-CG2 4.44Å; V556-I624 HydrophobicContact CB-CG2 4.35Å; V556-I624 HydrophobicContact CG1-CG2 3.99Å; V556-I624 HydrophobicContact CG2-CG2 3.78Å; A575-I624 HydrophobicContact CB-CG1 3.82Å; T576-I624 HydrophobicContact CG2-CD1 3.99Å; T576-I624 HydrophobicContact CG2-CG1 4.09Å; T576-I624 HydrophobicContact CG2-CG2 4.12Å; L579-I624 HydrophobicContact CB-CD1 4Å; L579-I624 HydrophobicContact CD2-CD1 3.42Å; L579-I624 VanDerWaalsContact CD2-CD1 3.42Å; L579-I624 HydrophobicContact CG-CD1 4.35Å; G620-I624 WeakPolarHBondContact O-CG1 3.48Å; G620-I624 PolarHBondContact O-N 2.93Å; I621-I624 PolarHBondContact O-N 2.89Å; I624-K626 PolarHBondContact O-N 3.13Å; I624-A627 WeakPolarHBondContact O-CB 3.45Å; I624-A627 PolarHBondContact O-N 3.42Å; I624-A627 VanDerWaalsContact O-N 3.15Å; I624-V628 HydrophobicContact CG2-CG2 4.44Å; I624-V628 WeakPolarHBondContact O-CG2 3.39Å; I624-V628 PolarHBondContact O-N 2.97Å
625R84.5Confident73.4Confident28 Ų2844.3 Ų44.311%0.10621%0.207CC..Hα-helixtrans-57.4-49.9176.5-175.9-173.7176.4-168.6-1.5111.1L512 S513 E516 I621 R622 A627 V628 L629 S640L512-R625 HydrophobicContact CB-CB 4.31Å; L512-R625 HydrophobicContact CB-CG 3.99Å; S513-R625 PolarHBondContact OG-NH2 3.14Å; S513-R625 VanDerWaalsContact OG-NH2 3.16Å; E516-R625 WeakPolarHBondContact OE2-CD 3.25Å; E516-R625 IonicContact OE2-CZ 2.62Å; E516-R625 IonicContact OE2-NE 3.79Å; E516-R625 IonicContact OE2-NH1 3.38Å; E516-R625 PolarHBondContact OE2-NH1 2.88Å; I621-R625 PolarHBondContact O-N 2.77Å; R622-R625 PolarHBondContact O-N 3.4Å; R625-A627 VanDerWaalsContact C-N 3.28Å; R625-A627 PolarHBondContact O-N 3.18Å; R625-V628 PolarHBondContact O-N 3.14Å; R625-L629 HydrophobicContact CG-CD1 3.75Å; R625-L629 HydrophobicContact CG-CG 4.27Å; R625-L629 WeakPolarHBondContact O-CB 3.47Å; R625-L629 WeakPolarHBondContact O-CG 3.25Å; R625-L629 PolarHBondContact O-N 2.79Å; R625-S640 PolarHBondContact NH2-OG 3.04Å
626K75.1Confident70.6Confident92 Ų9239.3 Ų39.340%0.419%0.19SC..Hα-helixtrans-56.6-42.6176.1-72.5173.3-163.8149.30112R622 D623 I624 L629 M630R622-K626 WeakPolarHBondContact O-CG 3.37Å; R622-K626 PolarHBondContact O-N 3.4Å; D623-K626 PolarHBondContact O-N 3.16Å; D623-K626 IonicContact OD1-NZ 3.9Å; D623-K626 PolarHBondContact OD1-NZ 3.04Å; I624-K626 PolarHBondContact O-N 3.13Å; K626-L629 PolarHBondContact O-N 3.47Å; K626-M630 WeakPolarHBondContact O-CG 3.48Å; K626-M630 PolarHBondContact O-N 2.91Å; K626-M630 VanDerWaalsContact O-N 3.15Å
627A75.4Confident68Low5 Ų539.1 Ų39.14%0.04119%0.189CC..Hα-helixtrans-62.9-46179.400000111.7V572 A575 D623 I624 R625 L629 M630V572-A627 HydrophobicContact CG2-CB 3.97Å; A575-A627 HydrophobicContact CB-CB 4.47Å; D623-A627 WeakPolarHBondContact O-CB 3.47Å; D623-A627 PolarHBondContact O-N 3.31Å; I624-A627 WeakPolarHBondContact O-CB 3.45Å; I624-A627 PolarHBondContact O-N 3.42Å; I624-A627 VanDerWaalsContact O-N 3.15Å; R625-A627 VanDerWaalsContact C-N 3.28Å; R625-A627 PolarHBondContact O-N 3.18Å; A627-L629 VanDerWaalsContact C-N 3.31Å; A627-L629 PolarHBondContact O-N 3.28Å; A627-M630 WeakPolarHBondContact O-CB 3.42Å; A627-M630 WeakPolarHBondContact O-CG 3.45Å; A627-M630 PolarHBondContact O-N 3.44Å
628V73Confident65.1Low1 Ų144.4 Ų44.41%0.00622%0.217CC..Hα-helixtrans-62.4-40.1175.7172.30000111I508 L512 V556 Y568 V572 I624 R625 M630 I631I508-V628 HydrophobicContact CD1-CG1 4.3Å; L512-V628 HydrophobicContact CD1-CB 3.91Å; L512-V628 HydrophobicContact CD1-CG1 3.87Å; L512-V628 HydrophobicContact CD1-CG2 3.95Å; V556-V628 HydrophobicContact CG1-CG2 3.96Å; Y568-V628 PolarHBondContact OH-O 2.91Å; V572-V628 HydrophobicContact CG1-CG2 3.78Å; V572-V628 HydrophobicContact CG2-CG2 4.18Å; I624-V628 HydrophobicContact CG2-CG2 4.44Å; I624-V628 WeakPolarHBondContact O-CG2 3.39Å; I624-V628 PolarHBondContact O-N 2.97Å; R625-V628 PolarHBondContact O-N 3.14Å; V628-M630 PolarHBondContact O-N 2.95Å; V628-I631 WeakPolarHBondContact O-CG1 3.28Å
629L68.4Low62.7Low25 Ų2544.8 Ų44.813%0.13122%0.222CC..G310 helixtrans-75.4-5.8179-63.5176.5000113.9D509 R625 K626 A627 I631 R632 L637D509-L629 HydrophobicContact CB-CD2 4.48Å; D509-L629 WeakPolarHBondContact OD1-CD2 3.21Å; R625-L629 HydrophobicContact CG-CD1 3.75Å; R625-L629 HydrophobicContact CG-CG 4.27Å; R625-L629 WeakPolarHBondContact O-CB 3.47Å; R625-L629 WeakPolarHBondContact O-CG 3.25Å; R625-L629 PolarHBondContact O-N 2.79Å; K626-L629 PolarHBondContact O-N 3.47Å; A627-L629 VanDerWaalsContact C-N 3.31Å; A627-L629 PolarHBondContact O-N 3.28Å; L629-I631 PolarHBondContact O-N 3.43Å; L629-R632 HydrophobicContact CD2-CB 4.18Å; L629-R632 HydrophobicContact CD2-CG 3.86Å; L629-R632 WeakPolarHBondContact O-CB 3.42Å; L629-R632 PolarHBondContact O-N 3.38Å; L629-L637 HydrophobicContact CB-CD2 4.31Å; L629-L637 HydrophobicContact CD1-CD2 3.56Å; L629-L637 HydrophobicContact CD2-CD2 3.51Å; L629-L637 HydrophobicContact CG-CD2 3.94Å
630M58.5Low60.3Low95 Ų9543.3 Ų43.347%0.46822%0.215SC..G310 helixtrans-64.8-20.8179.5-66.7-161.3167.800113.8K571 K626 A627 V628K571-M630 HydrophobicContact CD-SD 3.68Å; K571-M630 WeakPolarHBondContact CE-SD 3.45Å; K571-M630 VanDerWaalsContact NZ-CE 3.29Å; K571-M630 PolarHBondContact NZ-SD 3.5Å; K626-M630 WeakPolarHBondContact O-CG 3.48Å; K626-M630 PolarHBondContact O-N 2.91Å; K626-M630 VanDerWaalsContact O-N 3.15Å; A627-M630 WeakPolarHBondContact O-CB 3.42Å; A627-M630 WeakPolarHBondContact O-CG 3.45Å; A627-M630 PolarHBondContact O-N 3.44Å; V628-M630 PolarHBondContact O-N 2.95Å
631I46.1Very low57.6Low16 Ų1645.9 Ų45.98%0.08223%0.226CC..G310 helixtrans-92.3-8.8173.358.4160.4000113.1Y563 Y568 V628 L629Y563-I631 HydrophobicContact CE1-CD1 3.85Å; Y568-I631 HydrophobicContact CD1-CD1 4.44Å; Y568-I631 HydrophobicContact CD1-CG2 4.08Å; Y568-I631 HydrophobicContact CD2-CB 4.39Å; Y568-I631 HydrophobicContact CD2-CG1 4.34Å; Y568-I631 HydrophobicContact CD2-CG2 3.29Å; Y568-I631 HydrophobicContact CE1-CD1 3.69Å; Y568-I631 HydrophobicContact CE1-CG1 4.32Å; Y568-I631 HydrophobicContact CE1-CG2 4.3Å; Y568-I631 HydrophobicContact CE2-CB 4.17Å; Y568-I631 HydrophobicContact CE2-CD1 3.96Å; Y568-I631 HydrophobicContact CE2-CG1 3.65Å; Y568-I631 HydrophobicContact CE2-CG2 3.54Å; Y568-I631 HydrophobicContact CG-CG2 3.58Å; Y568-I631 WeakPolarHBondContact OH-CD1 3.46Å; V628-I631 WeakPolarHBondContact O-CG1 3.28Å; L629-I631 PolarHBondContact O-N 3.43Å
632R41.3Very low54.6Low52 Ų5254.9 Ų54.920%0.19627%0.266CS..SBendtrans-95.1143-175.2-59.5-66.3-174.9176.41.4110.9D509 L629 E636D509-R632 IonicContact OD1-NE 3.84Å; D509-R632 IonicContact OD2-CZ 3.74Å; D509-R632 IonicContact OD2-NE 2.62Å; L629-R632 HydrophobicContact CD2-CB 4.18Å; L629-R632 HydrophobicContact CD2-CG 3.86Å; L629-R632 WeakPolarHBondContact O-CB 3.42Å; L629-R632 PolarHBondContact O-N 3.38Å; R632-E636 WeakPolarHBondContact CA-OE2 3.42Å; R632-E636 HydrophobicContact CB-CB 4.4Å; R632-E636 WeakPolarHBondContact CB-OE2 3.49Å; R632-E636 WeakPolarHBondContact CD-OE2 3.45Å; R632-E636 IonicContact NH1-OE1 3.88Å; R632-E636 PolarHBondContact NH1-OE1 3.01Å; R632-E636 VanDerWaalsContact NH1-OE1 3.14Å
633T37.6Very low52Low2 Ų257.6 Ų57.61%0.01228%0.283CS..  trans-85152.1177.480.40000111.7E635 E636 L637 S809 L811 D812T633-E635 PolarHBondContact O-N 3.37Å; T633-E635 PolarHBondContact OG1-N 3.03Å; T633-E636 PolarHBondContact N-OE2 3.31Å; T633-E636 WeakPolarHBondContact O-CA 3.46Å; T633-E636 VanDerWaalsContact O-CB 3.23Å; T633-E636 WeakPolarHBondContact O-CB 3.15Å; T633-E636 PolarHBondContact O-N 3.44Å; T633-E636 PolarHBondContact OG1-N 3.07Å; T633-L637 WeakPolarHBondContact O-CG 3.44Å; T633-L637 PolarHBondContact O-N 3.44Å; T633-L637 VanDerWaalsContact O-N 3.16Å; T633-S809 WeakPolarHBondContact CB-O 3.26Å; T633-S809 WeakPolarHBondContact CG2-O 3.41Å; T633-L811 HydrophobicContact CG2-CB 3.63Å; T633-D812 WeakPolarHBondContact CB-OD2 3.24Å; T633-D812 WeakPolarHBondContact CG2-OD2 3.41Å; T633-D812 PolarHBondContact OG1-OD2 3.44Å
634P34.7Very low49.5Very low67 Ų6759.2 Ų59.244%0.43530%0.295SS..THydrogen-bonded Turntrans-48.8-22.3169.7-30.432.6000116.2L637 D638P634-L637 PolarHBondContact O-N 2.73Å; P634-D638 PolarHBondContact O-N 2.98Å
635E33.3Very low46.5Very low74 Ų7467.5 Ų67.535%0.34633%0.334SS..THydrogen-bonded Turntrans-84.4-26.4176.9-67.3160.9-17400112.3T633 L637 V795T633-E635 PolarHBondContact O-N 3.37Å; T633-E635 PolarHBondContact OG1-N 3.03Å; E635-L637 VanDerWaalsContact C-N 3.28Å; E635-V795 WeakPolarHBondContact OE1-CG1 3.31Å; E635-V795 VanDerWaalsContact OE2-CG1 3.31Å; E635-V795 WeakPolarHBondContact OE2-CG1 3.47Å
636E34.6Very low44.1Very low47 Ų4773.9 Ų73.922%0.2237%0.37CS..THydrogen-bonded Turntrans-69.4-27164.1-105.5166.316100111.4R632 T633 D812R632-E636 WeakPolarHBondContact CA-OE2 3.42Å; R632-E636 HydrophobicContact CB-CB 4.4Å; R632-E636 WeakPolarHBondContact CB-OE2 3.49Å; R632-E636 WeakPolarHBondContact CD-OE2 3.45Å; R632-E636 IonicContact NH1-OE1 3.88Å; R632-E636 PolarHBondContact NH1-OE1 3.01Å; R632-E636 VanDerWaalsContact NH1-OE1 3.14Å; T633-E636 PolarHBondContact N-OE2 3.31Å; T633-E636 WeakPolarHBondContact O-CA 3.46Å; T633-E636 VanDerWaalsContact O-CB 3.23Å; T633-E636 WeakPolarHBondContact O-CB 3.15Å; T633-E636 PolarHBondContact O-N 3.44Å; T633-E636 PolarHBondContact OG1-N 3.07Å; E636-D812 WeakPolarHBondContact CB-OD2 3.11Å; E636-D812 VanDerWaalsContact CD-CG 3.42Å; E636-D812 VanDerWaalsContact CD-OD1 3.28Å; E636-D812 WeakPolarHBondContact CG-OD1 3.24Å; E636-D812 WeakPolarHBondContact CG-OD2 3.33Å
637L39.4Very low41.9Very low51 Ų5178.7 Ų78.727%0.26739%0.391SS..G310 helixtrans-83.9-13.2179.5-62.9176.5000114.5L629 T633 P634 E635 D639 S640L629-L637 HydrophobicContact CB-CD2 4.31Å; L629-L637 HydrophobicContact CD1-CD2 3.56Å; L629-L637 HydrophobicContact CD2-CD2 3.51Å; L629-L637 HydrophobicContact CG-CD2 3.94Å; T633-L637 WeakPolarHBondContact O-CG 3.44Å; T633-L637 PolarHBondContact O-N 3.44Å; T633-L637 VanDerWaalsContact O-N 3.16Å; P634-L637 PolarHBondContact O-N 2.73Å; E635-L637 VanDerWaalsContact C-N 3.28Å; L637-D639 PolarHBondContact O-N 2.96Å; L637-D639 VanDerWaalsContact O-N 3.09Å; L637-S640 CarbonylContact O-C 3.5Å; L637-S640 PolarHBondContact O-N 3.32Å; L637-S640 VanDerWaalsContact O-O 3.08Å; L637-S640 PolarHBondContact O-OG 3.28Å
638D36.9Very low39.5Very low111 Ų11185.7 Ų85.759%0.59443%0.428SS*.G310 helixtrans-68.9-5.6180-160.932.6000113P634P634-D638 PolarHBondContact O-N 2.98Å
639D43.7Very low37.4Very low47 Ų4790.8 Ų90.825%0.25146%0.464SS..G310 helixtrans-95.6-8.4168.3-90.2-7.1000113.7R380 R383 L637R380-D639 WeakPolarHBondContact CD-O 3.28Å; R383-D639 IonicContact CZ-OD2 3.94Å; R383-D639 VanDerWaalsContact NH2-CG 3.32Å; R383-D639 IonicContact NH2-OD2 2.65Å; R383-D639 PolarHBondContact NH2-OD2 3.25Å; L637-D639 PolarHBondContact O-N 2.96Å; L637-D639 VanDerWaalsContact O-N 3.09Å
640S36.8Very low35.4Very low9 Ų9101 Ų1016%0.06350%0.5CS..SBendtrans-121.5100.2173.974.30000112.6R625 L637R625-S640 PolarHBondContact NH2-OG 3.04Å; L637-S640 CarbonylContact O-C 3.5Å; L637-S640 PolarHBondContact O-N 3.32Å; L637-S640 VanDerWaalsContact O-O 3.08Å; L637-S640 PolarHBondContact O-OG 3.28Å
641D36.2Very low33.8Very low64 Ų64102 Ų10234%0.34252%0.517SS..  trans3383.8159.3-71-23.4000117.7K384K384-D641 IonicContact NZ-OD1 2.83Å; K384-D641 PolarHBondContact NZ-OD1 2.95Å; K384-D641 IonicContact NZ-OD2 3.04Å; K384-D641 PolarHBondContact NZ-OD2 3.34Å
642F31.2Very low33.1Very low190 Ų190110.8 Ų110.883%0.83356%0.555SS**  trans-111.166.8135.8-109.8-93.8000108.4T644F642-T644 HydrophobicContact CD1-CG2 3.79Å; F642-T644 HydrophobicContact CE1-CG2 4.03Å; F642-T644 PolarHBondContact O-N 3.34Å
643E31.8Very low32.5Very low159 Ų159115 Ų11574%0.74359%0.587SS**  trans-71.186.7149.7-73.4-162.4178.400106.2E645E643-E645 VanDerWaalsContact C-N 3.3Å; E643-E645 PolarHBondContact O-N 3.36Å; E643-E645 VanDerWaalsContact O-N 3.14Å
644T31Very low32Very low108 Ų108120.9 Ų120.966%0.66363%0.627SS**  trans-73.596.8159.714.60000105.4F642 D646F642-T644 HydrophobicContact CD1-CG2 3.79Å; F642-T644 HydrophobicContact CE1-CG2 4.03Å; F642-T644 PolarHBondContact O-N 3.34Å; T644-D646 PolarHBondContact O-N 2.89Å
645E27.9Very low31.6Very low175 Ų175123.7 Ų123.782%0.81864%0.643SS**  trans-52.6135.5160.3-72-170.9157.400108.6E643 F647E643-E645 VanDerWaalsContact C-N 3.3Å; E643-E645 PolarHBondContact O-N 3.36Å; E643-E645 VanDerWaalsContact O-N 3.14Å; E645-F647 PolarHBondContact O-N 3.05Å
646D33Very low31.7Very low161 Ų161129.1 Ų129.186%0.86167%0.669SS**SBendtrans-42.6101.5-177.8-84.7-43.4000113.6T644T644-D646 PolarHBondContact O-N 2.89Å
647F28.2Very low31.4Very low193 Ų193133.3 Ų133.385%0.84670%0.697SS**  trans-16186.1152.9-113.5-83.4000109.3E645E645-F647 PolarHBondContact O-N 3.05Å
648D25.7Very low31.3Very low152 Ų152140.2 Ų140.281%0.81373%0.728SS**  -178.9131.4105.9-106.2-30.5000113.9
649S29.9Very low31Very low108 Ų108142.8 Ų142.876%0.75574%0.742SS**  trans-81.3141.6172.6-57.20000110.3
650R25.1Very low30.8Very low239 Ų239146.8 Ų146.890%0.90276%0.763SS**  trans98.7106.8163.7-61.9173.2160.7161.2-3.6116.5
651S25.3Very low31.5Very low116 Ų116150.6 Ų150.681%0.81178%0.78SS**  -178.7118.289.7-81.90000110.3
652K32.6Very low32Very low202 Ų202152.9 Ų152.988%0.87879%0.792SS**  trans-77.8120163.4-70.2-179.81781780107.8
653T27.3Very low33Very low141 Ų141146.6 Ų146.687%0.86577%0.766SS**  trans178.4118.2137.226.90000109.6
654S26.6Very low34Very low124 Ų124143.9 Ų143.987%0.86776%0.757SS**  trans-165.4126.5136.6-176.70000109.7
655V28.1Very low35.3Very low126 Ų126141.4 Ų141.476%0.76475%0.753SS**  trans-68.5148.8-178.3166.10000110.7
656Q34.8Very low37Very low189 Ų189136.1 Ų136.188%0.88373%0.728SS**  trans-61.2126.6168-71.1171.3-27.700110.8
657T28.6Very low39.1Very low134 Ų134129.7 Ų129.782%0.82270%0.696SS**  trans-142.3128.415040.50000109.9D659T657-D659 PolarHBondContact O-N 2.98Å
658E35.8Very low41.4Very low196 Ų196121 Ų12192%0.91666%0.659SS**  trans-72.7108.7170.8-63.4176.6143.900108.8
659D32.1Very low44.2Very low165 Ų165117.5 Ų117.588%0.88264%0.635SS**  trans-156.3139.7158-110.2-21.4000111.1T657T657-D659 PolarHBondContact O-N 2.98Å
660D39.9Very low46.5Very low131 Ų131113.8 Ų113.870%0.70161%0.611SS**  trans-57.2125.7-162-88.1-39.4000117L662D660-L662 PolarHBondContact O-N 3.06Å
661Q50.2Low48.8Very low90 Ų90102.7 Ų102.742%0.42157%0.57SS.*  64.242.895.7-63.8-17023.300119.4N737 S739Q661-N737 PolarHBondContact OE1-ND2 2.63Å; Q661-S739 PolarHBondContact NE2-OG 3.23Å; Q661-S739 PolarHBondContact OE1-OG 3.46Å
662L47Very low51.2Low112 Ų11297.6 Ų97.659%0.58653%0.533SS*.  trans-127.6129.5155.8-67.6165.3000109.3D660D660-L662 PolarHBondContact O-N 3.06Å
663I51.4Low53.5Low58 Ų5890 Ų9030%0.29751%0.508SS..BIsolated β-bridgetrans-92.4113169.1-52.5174.5000105.5G665 Q666 I671 V799I663-G665 PolarHBondContact O-N 3.32Å; I663-G665 VanDerWaalsContact O-N 3.12Å; I663-Q666 PolarHBondContact N-O 3.43Å; I663-Q666 PolarHBondContact O-N 3.05Å; I663-I671 HydrophobicContact CB-CD1 3.96Å; I663-I671 HydrophobicContact CG2-CD1 4.45Å; I663-V799 HydrophobicContact CB-CG2 4.44Å; I663-V799 HydrophobicContact CG2-CB 3.64Å; I663-V799 HydrophobicContact CG2-CG2 3.55Å
664N52.8Low55.8Low101 Ų10188.2 Ų88.254%0.5449%0.489SS..THydrogen-bonded Turntrans50.334.6-175.6-72.5-12.7000115.2Q666 N801N664-Q666 VanDerWaalsContact C-N 3.34Å; N664-Q666 PolarHBondContact O-N 3.39Å; N664-N801 PolarHBondContact ND2-ND2 3.48Å
665G58.5Low57.8Low57 Ų5782.6 Ų82.659%0.58845%0.45SS*.THydrogen-bonded Turntrans804.2176.800000116I663I663-G665 PolarHBondContact O-N 3.32Å; I663-G665 VanDerWaalsContact O-N 3.12Å
666Q64.7Low59.9Low64 Ų6479.3 Ų79.330%0.29943%0.431SS..BIsolated β-bridgetrans-120.7155.5175.4-66.9-176-11.500111.7I663 N664 A670 I671I663-Q666 PolarHBondContact N-O 3.43Å; I663-Q666 PolarHBondContact O-N 3.05Å; N664-Q666 VanDerWaalsContact C-N 3.34Å; N664-Q666 PolarHBondContact O-N 3.39Å; Q666-A670 HydrophobicContact CB-CB 4.48Å; Q666-I671 HydrophobicContact CB-CD1 4.34Å; Q666-I671 HydrophobicContact CB-CG1 4.09Å
667S77.4Confident61.5Low25 Ų2577.5 Ų77.518%0.17542%0.422CS..  trans-75.5149.1174.687.90000110.6R669 A670 I671 K736 N737S667-R669 PolarHBondContact O-N 3.04Å; S667-R669 VanDerWaalsContact O-N 3.15Å; S667-A670 WeakPolarHBondContact O-CA 3.5Å; S667-A670 WeakPolarHBondContact O-CB 3.39Å; S667-A670 PolarHBondContact O-N 2.72Å; S667-A670 PolarHBondContact OG-N 2.72Å; S667-I671 PolarHBondContact O-N 2.98Å; S667-I671 VanDerWaalsContact O-N 3.08Å; S667-K736 PolarHBondContact OG-O 2.79Å; S667-N737 WeakPolarHBondContact CB-OD1 3.37Å
668A75.7Confident62.8Low10 Ų1074 Ų748%0.08340%0.397CS..Hα-helixtrans-56-36.7-179.200000112.6A670 I671 M672 F728 K736 N737A668-A670 PolarHBondContact O-N 2.88Å; A668-I671 WeakPolarHBondContact O-CB 3.35Å; A668-I671 PolarHBondContact O-N 3.13Å; A668-M672 WeakPolarHBondContact O-CG 3.37Å; A668-M672 PolarHBondContact O-N 2.79Å; A668-F728 HydrophobicContact CB-CE2 4.25Å; A668-F728 HydrophobicContact CB-CZ 3.9Å; A668-K736 PolarHBondContact N-O 3.41Å; A668-N737 PolarHBondContact N-OD1 3.47Å
669R83.5Confident64.1Low79 Ų7965.5 Ų65.530%0.29836%0.357SS..Hα-helixtrans-62.9-39.7172.6-173.5-166.159.5157.27.1113.1S667 I671 M672 A673 F728 G731 G733 L735 K736S667-R669 PolarHBondContact O-N 3.04Å; S667-R669 VanDerWaalsContact O-N 3.15Å; R669-I671 VanDerWaalsContact C-N 3.28Å; R669-M672 PolarHBondContact O-N 3.14Å; R669-A673 PolarHBondContact O-N 2.85Å; R669-F728 HydrophobicContact CB-CD2 3.99Å; R669-F728 HydrophobicContact CB-CE2 3.89Å; R669-F728 HydrophobicContact CG-CD2 4.34Å; R669-G731 WeakPolarHBondContact O-CA 3.48Å; R669-G733 PolarHBondContact NH1-O 3.39Å; R669-L735 VanDerWaalsContact CD-O 3.28Å; R669-L735 WeakPolarHBondContact CD-O 3.39Å; R669-K736 WeakPolarHBondContact CB-O 3.41Å; R669-K736 PolarHBondContact N-O 3.22Å
670A78.2Confident66.1Low30 Ų3061 Ų6125%0.24833%0.33CS..Hα-helixtrans-66.9-35.9179.300000111Q666 S667 A668 A673 Q674Q666-A670 HydrophobicContact CB-CB 4.48Å; S667-A670 WeakPolarHBondContact O-CA 3.5Å; S667-A670 WeakPolarHBondContact O-CB 3.39Å; S667-A670 PolarHBondContact O-N 2.72Å; S667-A670 PolarHBondContact OG-N 2.72Å; A668-A670 PolarHBondContact O-N 2.88Å; A670-A673 WeakPolarHBondContact O-CB 3.48Å; A670-A673 PolarHBondContact O-N 3.5Å; A670-Q674 WeakPolarHBondContact O-CG 3.26Å; A670-Q674 PolarHBondContact O-N 3.39Å
671I74Confident67.6Low7 Ų757.5 Ų57.54%0.03632%0.319CS..Hα-helixtrans-62.4-46.5171.1-66.9157.6000110.4I663 Q666 S667 A668 R669 A673 Q674 L675 V799 V808I663-I671 HydrophobicContact CB-CD1 3.96Å; I663-I671 HydrophobicContact CG2-CD1 4.45Å; Q666-I671 HydrophobicContact CB-CD1 4.34Å; Q666-I671 HydrophobicContact CB-CG1 4.09Å; S667-I671 PolarHBondContact O-N 2.98Å; S667-I671 VanDerWaalsContact O-N 3.08Å; A668-I671 WeakPolarHBondContact O-CB 3.35Å; A668-I671 PolarHBondContact O-N 3.13Å; R669-I671 VanDerWaalsContact C-N 3.28Å; I671-A673 VanDerWaalsContact C-N 3.26Å; I671-A673 PolarHBondContact O-N 3.29Å; I671-Q674 PolarHBondContact O-N 3.47Å; I671-L675 PolarHBondContact O-N 2.95Å; I671-V799 HydrophobicContact CD1-CG2 3.99Å; I671-V799 HydrophobicContact CG2-CG2 3.99Å; I671-V808 HydrophobicContact CG2-CB 4.13Å; I671-V808 HydrophobicContact CG2-CG1 3.77Å; I671-V808 HydrophobicContact CG2-CG2 3.18Å
672M75.8Confident68.6Low9 Ų955.7 Ų55.74%0.04431%0.31CS..Hα-helixtrans-60.1-32.3173.6-63.5-53.8-11100113.4A668 R669 Q674 L675 F728 T729 A814A668-M672 WeakPolarHBondContact O-CG 3.37Å; A668-M672 PolarHBondContact O-N 2.79Å; R669-M672 PolarHBondContact O-N 3.14Å; M672-Q674 VanDerWaalsContact C-N 3.29Å; M672-Q674 PolarHBondContact O-N 3.33Å; M672-L675 HydrophobicContact CB-CD1 4.44Å; M672-L675 WeakPolarHBondContact O-CD1 3.44Å; M672-L675 VanDerWaalsContact O-CG 3.31Å; M672-L675 WeakPolarHBondContact O-CG 3.45Å; M672-L675 HydrophobicContact SD-CD1 3.92Å; M672-F728 HydrophobicContact CG-CE1 4.32Å; M672-F728 HydrophobicContact CG-CZ 4.48Å; M672-T729 HydrophobicContact CE-CG2 4.41Å; M672-A814 HydrophobicContact CE-CB 3.61Å
673A80.9Confident69.9Low42 Ų4250.6 Ų50.635%0.34728%0.283SS..Hα-helixtrans-72.6-23.8176.800000112.9R669 A670 I671 K680R669-A673 PolarHBondContact O-N 2.85Å; A670-A673 WeakPolarHBondContact O-CB 3.48Å; A670-A673 PolarHBondContact O-N 3.5Å; I671-A673 VanDerWaalsContact C-N 3.26Å; I671-A673 PolarHBondContact O-N 3.29Å; A673-K680 WeakPolarHBondContact O-CE 3.45Å; A673-K680 PolarHBondContact O-NZ 3.03Å
674Q75.1Confident71.3Confident103 Ų10350.3 Ų50.348%0.48129%0.289SS..THydrogen-bonded Turntrans-94.51.1-178.9-69.217434.900113.1A670 I671 M672A670-Q674 WeakPolarHBondContact O-CG 3.26Å; A670-Q674 PolarHBondContact O-N 3.39Å; I671-Q674 PolarHBondContact O-N 3.47Å; M672-Q674 VanDerWaalsContact C-N 3.29Å; M672-Q674 PolarHBondContact O-N 3.33Å
675L68.3Low72.5Confident6 Ų652 Ų523%0.03129%0.294CS..SBendtrans-53.8148.1177.3-66.4173000112.4I671 M672 Q679 K680 I683 V808I671-L675 PolarHBondContact O-N 2.95Å; M672-L675 HydrophobicContact CB-CD1 4.44Å; M672-L675 WeakPolarHBondContact O-CD1 3.44Å; M672-L675 VanDerWaalsContact O-CG 3.31Å; M672-L675 WeakPolarHBondContact O-CG 3.45Å; M672-L675 HydrophobicContact SD-CD1 3.92Å; L675-Q679 HydrophobicContact CB-CB 4.48Å; L675-K680 HydrophobicContact CB-CG 4.25Å; L675-K680 WeakPolarHBondContact O-CD 3.47Å; L675-K680 WeakPolarHBondContact O-CE 3.44Å; L675-K680 PolarHBondContact O-NZ 3.31Å; L675-I683 HydrophobicContact CD1-CD1 3.84Å; L675-V808 HydrophobicContact CD2-CB 3.7Å; L675-V808 HydrophobicContact CD2-CG1 4.25Å; L675-V808 HydrophobicContact CD2-CG2 3.77Å
676P72.6Confident73.3Confident57 Ų5751.9 Ų51.937%0.3728%0.278SS..  trans-49.4149.4170.7-27.834.2000112.9E678 Q679 K680P676-E678 PolarHBondContact O-N 3.45Å; P676-Q679 HydrophobicContact CB-CG 4.38Å; P676-Q679 PolarHBondContact O-N 3.47Å; P676-K680 PolarHBondContact O-N 3.23Å; P676-K680 VanDerWaalsContact O-N 3.1Å
677Q67.9Low74.3Confident151 Ų15149.1 Ų49.171%0.70627%0.266SS*.Hα-helixtrans-62.3-31.4-174.7-172.163.610.300112.8K680 A681Q677-K680 WeakPolarHBondContact O-CB 3.38Å; Q677-K680 PolarHBondContact O-N 3.44Å; Q677-A681 PolarHBondContact O-N 2.84Å; Q677-A681 VanDerWaalsContact O-N 3.11Å
678E57.3Low74.5Confident60 Ų6050.9 Ų50.928%0.2828%0.282SS..Hα-helixtrans-67.8-45.7177-167.2-169.3150.900112.3Y563 P676 K680 A681 K682Y563-E678 WeakPolarHBondContact CD1-OE1 3.41Å; P676-E678 PolarHBondContact O-N 3.45Å; E678-K680 VanDerWaalsContact C-N 3.29Å; E678-K680 PolarHBondContact O-N 2.89Å; E678-A681 WeakPolarHBondContact O-CB 3.29Å; E678-A681 PolarHBondContact O-N 2.68Å; E678-K682 PolarHBondContact O-N 3.38Å; E678-K682 IonicContact OE1-NZ 3.98Å
679Q62.9Low74.7Confident19 Ų1952.3 Ų52.39%0.08929%0.291CS..Hα-helixtrans-64-37175.9-63.2-171.6-17.200111.5L675 P676 A681 K682 I683 L811L675-Q679 HydrophobicContact CB-CB 4.48Å; P676-Q679 HydrophobicContact CB-CG 4.38Å; P676-Q679 PolarHBondContact O-N 3.47Å; Q679-A681 VanDerWaalsContact C-N 3.27Å; Q679-A681 PolarHBondContact O-N 2.84Å; Q679-K682 PolarHBondContact O-N 3.2Å; Q679-I683 WeakPolarHBondContact O-CG1 3.46Å; Q679-I683 PolarHBondContact O-N 2.88Å; Q679-L811 HydrophobicContact CB-CD1 3.93Å; Q679-L811 HydrophobicContact CB-CD2 4.08Å; Q679-L811 HydrophobicContact CG-CD1 4.47Å; Q679-L811 HydrophobicContact CG-CD2 3.79Å
680K73.3Confident74.9Confident69 Ų6948.5 Ų48.530%0.328%0.277SS..Hα-helixtrans-61.9-33.2171.6-75.4170.9172.8151.70112.6A673 L675 P676 Q677 E678 A684A673-K680 WeakPolarHBondContact O-CE 3.45Å; A673-K680 PolarHBondContact O-NZ 3.03Å; L675-K680 HydrophobicContact CB-CG 4.25Å; L675-K680 WeakPolarHBondContact O-CD 3.47Å; L675-K680 WeakPolarHBondContact O-CE 3.44Å; L675-K680 PolarHBondContact O-NZ 3.31Å; P676-K680 PolarHBondContact O-N 3.23Å; P676-K680 VanDerWaalsContact O-N 3.1Å; Q677-K680 WeakPolarHBondContact O-CB 3.38Å; Q677-K680 PolarHBondContact O-N 3.44Å; E678-K680 VanDerWaalsContact C-N 3.29Å; E678-K680 PolarHBondContact O-N 2.89Å; K680-A684 VanDerWaalsContact O-CB 3.24Å; K680-A684 WeakPolarHBondContact O-CB 3.29Å; K680-A684 PolarHBondContact O-N 3.49Å
681A72.9Confident75.3Confident59 Ų5950.1 Ų50.149%0.48828%0.28SS..Hα-helixtrans-69.1-46.6177.200000111.7Q677 E678 Q679 I683 A684 E685Q677-A681 PolarHBondContact O-N 2.84Å; Q677-A681 VanDerWaalsContact O-N 3.11Å; E678-A681 WeakPolarHBondContact O-CB 3.29Å; E678-A681 PolarHBondContact O-N 2.68Å; Q679-A681 VanDerWaalsContact C-N 3.27Å; Q679-A681 PolarHBondContact O-N 2.84Å; A681-I683 PolarHBondContact O-N 3.18Å; A681-A684 WeakPolarHBondContact O-CB 3.16Å; A681-A684 PolarHBondContact O-N 3.14Å; A681-A684 VanDerWaalsContact O-N 3.08Å; A681-E685 PolarHBondContact O-N 3.34Å
682K70.9Confident75.7Confident52 Ų5255 Ų5523%0.22630%0.302CS..Hα-helixtrans-59.1-44.6174.9-67.6-179.9177.9175.20112.2E678 Q679 A684 E685 Q686 M815E678-K682 PolarHBondContact O-N 3.38Å; E678-K682 IonicContact OE1-NZ 3.98Å; Q679-K682 PolarHBondContact O-N 3.2Å; K682-A684 VanDerWaalsContact C-N 3.33Å; K682-A684 PolarHBondContact O-N 3.37Å; K682-E685 PolarHBondContact O-N 2.84Å; K682-Q686 PolarHBondContact O-N 3.48Å; K682-M815 HydrophobicContact CB-SD 4.41Å
683I74.4Confident76.2Confident4 Ų455.7 Ų55.72%0.02131%0.305CS..Hα-helixtrans-61.6-42.1173.5-68.2173.8000110.9L675 Q679 A681 E685 Q686 V687 T729 R730 L811 I818L675-I683 HydrophobicContact CD1-CD1 3.84Å; Q679-I683 WeakPolarHBondContact O-CG1 3.46Å; Q679-I683 PolarHBondContact O-N 2.88Å; A681-I683 PolarHBondContact O-N 3.18Å; I683-E685 PolarHBondContact O-N 3.08Å; I683-Q686 PolarHBondContact O-N 3.08Å; I683-V687 HydrophobicContact CG2-CG2 4.17Å; I683-V687 WeakPolarHBondContact O-CB 3.42Å; I683-V687 WeakPolarHBondContact O-CG2 3.43Å; I683-V687 PolarHBondContact O-N 3.12Å; I683-T729 WeakPolarHBondContact CD1-O 3.44Å; I683-R730 HydrophobicContact CG2-CG 3.97Å; I683-L811 HydrophobicContact CD1-CD1 3.59Å; I683-L811 HydrophobicContact CG1-CD1 3.61Å; I683-I818 HydrophobicContact CG2-CD1 4.03Å
684A80Confident76.5Confident52 Ų5255.5 Ų55.543%0.4330%0.297SS..Hα-helixtrans-64.1-38.4-179.600000112.7K680 A681 K682 V687 A688K680-A684 VanDerWaalsContact O-CB 3.24Å; K680-A684 WeakPolarHBondContact O-CB 3.29Å; K680-A684 PolarHBondContact O-N 3.49Å; A681-A684 WeakPolarHBondContact O-CB 3.16Å; A681-A684 PolarHBondContact O-N 3.14Å; A681-A684 VanDerWaalsContact O-N 3.08Å; K682-A684 VanDerWaalsContact C-N 3.33Å; K682-A684 PolarHBondContact O-N 3.37Å; A684-V687 PolarHBondContact O-N 3.18Å; A684-A688 WeakPolarHBondContact O-CB 3.48Å; A684-A688 PolarHBondContact O-N 3.11Å
685E78Confident76.9Confident136 Ų13653.8 Ų53.864%0.63630%0.296SS*.Hα-helixtrans-64.5-48.7175.6-174.2179.4-171.800111.8A681 K682 I683 V687 A688 S689A681-E685 PolarHBondContact O-N 3.34Å; K682-E685 PolarHBondContact O-N 2.84Å; I683-E685 PolarHBondContact O-N 3.08Å; E685-V687 VanDerWaalsContact C-N 3.31Å; E685-V687 PolarHBondContact O-N 2.8Å; E685-A688 WeakPolarHBondContact O-CB 3.45Å; E685-A688 PolarHBondContact O-N 2.65Å; E685-A688 VanDerWaalsContact O-N 3.08Å; E685-S689 PolarHBondContact O-N 3.08Å
686Q76.3Confident77.6Confident55 Ų5557.6 Ų57.626%0.25731%0.312SS..Hα-helixtrans-62.6-39.6176.7-69.9-60.1-30.800111.9K682 I683 A688 S689 F690 I818K682-Q686 PolarHBondContact O-N 3.48Å; I683-Q686 PolarHBondContact O-N 3.08Å; Q686-A688 VanDerWaalsContact C-N 3.33Å; Q686-A688 PolarHBondContact O-N 3.34Å; Q686-S689 PolarHBondContact O-N 2.94Å; Q686-F690 PolarHBondContact O-N 3.1Å; Q686-I818 HydrophobicContact CB-CB 4.4Å; Q686-I818 HydrophobicContact CB-CD1 4.25Å; Q686-I818 HydrophobicContact CB-CG2 3.83Å
687V84.6Confident78.2Confident6 Ų655 Ų554%0.03630%0.295CS..Hα-helixtrans-65.9-35.3174.11720000111.3I683 A684 E685 F690 Q691 R730 I818I683-V687 HydrophobicContact CG2-CG2 4.17Å; I683-V687 WeakPolarHBondContact O-CB 3.42Å; I683-V687 WeakPolarHBondContact O-CG2 3.43Å; I683-V687 PolarHBondContact O-N 3.12Å; A684-V687 PolarHBondContact O-N 3.18Å; E685-V687 VanDerWaalsContact C-N 3.31Å; E685-V687 PolarHBondContact O-N 2.8Å; V687-F690 WeakPolarHBondContact O-CB 3.44Å; V687-F690 PolarHBondContact O-N 3.27Å; V687-Q691 HydrophobicContact CG1-CG 4.18Å; V687-Q691 WeakPolarHBondContact O-CB 3.48Å; V687-Q691 VanDerWaalsContact O-CG 3.25Å; V687-Q691 WeakPolarHBondContact O-CG 3.29Å; V687-Q691 PolarHBondContact O-N 3.35Å; V687-R730 HydrophobicContact CG2-CG 4.2Å; V687-I818 HydrophobicContact CG2-CD1 3.93Å; V687-I818 HydrophobicContact CG2-CG1 4.27Å; V687-I818 HydrophobicContact CG2-CG2 4.39Å
688A82.4Confident78.8Confident63 Ų6351 Ų5152%0.52128%0.279SS..Hα-helixtrans-62.9-43.6174.900000111.4A684 E685 Q686 F690 Q691 E692A684-A688 WeakPolarHBondContact O-CB 3.48Å; A684-A688 PolarHBondContact O-N 3.11Å; E685-A688 WeakPolarHBondContact O-CB 3.45Å; E685-A688 PolarHBondContact O-N 2.65Å; E685-A688 VanDerWaalsContact O-N 3.08Å; Q686-A688 VanDerWaalsContact C-N 3.33Å; Q686-A688 PolarHBondContact O-N 3.34Å; A688-F690 VanDerWaalsContact C-N 3.34Å; A688-F690 PolarHBondContact O-N 3.39Å; A688-Q691 PolarHBondContact O-N 2.73Å; A688-E692 PolarHBondContact O-N 3.2Å; A688-E692 VanDerWaalsContact O-N 3.14Å
689S78.9Confident80Confident39 Ų3950.9 Ų50.927%0.27329%0.288SS..Hα-helixtrans-60.1-41.8172.5-172.80000111.8E685 Q686 E692 E693 K822E685-S689 PolarHBondContact O-N 3.08Å; Q686-S689 PolarHBondContact O-N 2.94Å; S689-E692 WeakPolarHBondContact O-CB 3.48Å; S689-E692 PolarHBondContact O-N 2.97Å; S689-E693 PolarHBondContact O-N 3.31Å; S689-K822 VanDerWaalsContact OG-CD 3.23Å; S689-K822 WeakPolarHBondContact OG-CD 3.37Å; S689-K822 PolarHBondContact OG-NZ 2.87Å
690F88.9Confident81Confident0 Ų050.9 Ų50.90%029%0.288CS..Hα-helixtrans-62.8-41.1173.2170.2-94.3000113Q686 V687 A688 E692 E693 K694 M722 M723 T726 I818 A821 K822 M825Q686-F690 PolarHBondContact O-N 3.1Å; V687-F690 WeakPolarHBondContact O-CB 3.44Å; V687-F690 PolarHBondContact O-N 3.27Å; A688-F690 VanDerWaalsContact C-N 3.34Å; A688-F690 PolarHBondContact O-N 3.39Å; F690-E692 VanDerWaalsContact C-N 3.25Å; F690-E692 PolarHBondContact O-N 3.25Å; F690-E693 PolarHBondContact O-N 3.37Å; F690-K694 HydrophobicContact CE1-CB 4.46Å; F690-K694 WeakPolarHBondContact O-CB 3.41Å; F690-K694 PolarHBondContact O-N 3.19Å; F690-M722 HydrophobicContact CE2-CB 4.17Å; F690-M722 HydrophobicContact CZ-CB 3.98Å; F690-M723 HydrophobicContact CE1-CG 4.28Å; F690-M723 HydrophobicContact CZ-CG 4.49Å; F690-T726 HydrophobicContact CD1-CG2 4.07Å; F690-T726 HydrophobicContact CD2-CG2 4.21Å; F690-T726 HydrophobicContact CE1-CG2 4.04Å; F690-T726 WeakPolarHBondContact CE1-OG1 3.48Å; F690-T726 HydrophobicContact CE2-CG2 4.19Å; F690-T726 HydrophobicContact CG-CG2 4.16Å; F690-T726 HydrophobicContact CZ-CG2 4.1Å; F690-I818 HydrophobicContact CB-CG2 4.13Å; F690-A821 HydrophobicContact CD2-CB 4.25Å; F690-A821 HydrophobicContact CE2-CB 3.94Å; F690-K822 HydrophobicContact CB-CB 4.38Å; F690-K822 HydrophobicContact CD2-CB 4.15Å; F690-M825 HydrophobicContact CE1-CE 4.37Å; F690-M825 HydrophobicContact CE2-CB 4.4Å; F690-M825 HydrophobicContact CE2-CE 3.46Å; F690-M825 VanDerWaalsContact CE2-CE 3.46Å; F690-M825 HydrophobicContact CZ-CE 3.33Å
691Q85.9Confident81.4Confident64 Ų6448 Ų4830%0.29928%0.276SS..Hα-helixtrans-64.8-29.2179.1-74.1-70.1-14.300112.7V687 A688 S695V687-Q691 HydrophobicContact CG1-CG 4.18Å; V687-Q691 WeakPolarHBondContact O-CB 3.48Å; V687-Q691 VanDerWaalsContact O-CG 3.25Å; V687-Q691 WeakPolarHBondContact O-CG 3.29Å; V687-Q691 PolarHBondContact O-N 3.35Å; A688-Q691 PolarHBondContact O-N 2.73Å; Q691-S695 WeakPolarHBondContact O-CB 3.29Å; Q691-S695 PolarHBondContact O-N 3.03Å; Q691-S695 PolarHBondContact O-OG 3.44Å
692E82.4Confident81.8Confident109 Ų10948.6 Ų48.651%0.50928%0.277SS..Hα-helixtrans-63.2-50172-163.7-161.3140.900111.1A688 S689 F690 K694 S695 K696A688-E692 PolarHBondContact O-N 3.2Å; A688-E692 VanDerWaalsContact O-N 3.14Å; S689-E692 WeakPolarHBondContact O-CB 3.48Å; S689-E692 PolarHBondContact O-N 2.97Å; F690-E692 VanDerWaalsContact C-N 3.25Å; F690-E692 PolarHBondContact O-N 3.25Å; E692-K694 PolarHBondContact O-N 2.62Å; E692-S695 WeakPolarHBondContact O-CB 3.48Å; E692-S695 PolarHBondContact O-N 2.8Å; E692-K696 PolarHBondContact O-N 3.11Å; E692-K696 VanDerWaalsContact O-N 3.13Å; E692-K696 VanDerWaalsContact OE1-CE 3.29Å; E692-K696 WeakPolarHBondContact OE1-CE 3.35Å; E692-K696 IonicContact OE1-NZ 3.9Å; E692-K696 PolarHBondContact OE1-NZ 3.5Å
693E86Confident82.2Confident23 Ų2350.7 Ų50.711%0.10729%0.286CS..Hα-helixtrans-64-39.7176.7-67.5-56.5126.300112.1S689 F690 S695 K696 L697 K822 M825 N826S689-E693 PolarHBondContact O-N 3.31Å; F690-E693 PolarHBondContact O-N 3.37Å; E693-S695 VanDerWaalsContact C-N 3.31Å; E693-S695 PolarHBondContact O-N 3.2Å; E693-K696 WeakPolarHBondContact O-CB 3.42Å; E693-K696 PolarHBondContact O-N 3.32Å; E693-K696 VanDerWaalsContact O-N 3.16Å; E693-K696 IonicContact OE1-NZ 3.75Å; E693-K696 PolarHBondContact OE1-NZ 3.21Å; E693-L697 PolarHBondContact O-N 3.18Å; E693-K822 HydrophobicContact CB-CG 4.32Å; E693-K822 HydrophobicContact CG-CD 4.35Å; E693-K822 HydrophobicContact CG-CG 3.73Å; E693-M825 HydrophobicContact CB-CB 4.3Å; E693-M825 HydrophobicContact CB-CG 4.1Å; E693-N826 WeakPolarHBondContact OE2-CB 3.43Å; E693-N826 PolarHBondContact OE2-ND2 3.48Å
694K88.2Confident82.4Confident39 Ų3951.1 Ų51.117%0.1729%0.287CS..Hα-helixtrans-60.2-41.4173.3-176.1-92.4-178.3173.60111.7F690 E692 K696 L697 D698 M723 M825F690-K694 HydrophobicContact CE1-CB 4.46Å; F690-K694 WeakPolarHBondContact O-CB 3.41Å; F690-K694 PolarHBondContact O-N 3.19Å; E692-K694 PolarHBondContact O-N 2.62Å; K694-K696 VanDerWaalsContact C-N 3.27Å; K694-K696 PolarHBondContact O-N 2.72Å; K694-L697 PolarHBondContact O-N 3.5Å; K694-L697 VanDerWaalsContact O-N 3.14Å; K694-D698 WeakPolarHBondContact CE-OD2 3.21Å; K694-D698 IonicContact NZ-OD1 2.79Å; K694-D698 IonicContact NZ-OD2 3.26Å; K694-D698 PolarHBondContact NZ-OD2 3.38Å; K694-D698 PolarHBondContact O-N 3.44Å; K694-M723 HydrophobicContact CD-SD 4.41Å; K694-M723 VanDerWaalsContact CE-SD 3.58Å; K694-M723 HydrophobicContact CG-SD 4.42Å; K694-M825 HydrophobicContact CB-CE 4.34Å; K694-M825 HydrophobicContact CG-CE 4.42Å
695S83.1Confident82.3Confident67 Ų6750.7 Ų50.747%0.46928%0.277SS..Hα-helixtrans-63.1-35.1177-63.20000111.9Q691 E692 E693 A699Q691-S695 WeakPolarHBondContact O-CB 3.29Å; Q691-S695 PolarHBondContact O-N 3.03Å; Q691-S695 PolarHBondContact O-OG 3.44Å; E692-S695 WeakPolarHBondContact O-CB 3.48Å; E692-S695 PolarHBondContact O-N 2.8Å; E693-S695 VanDerWaalsContact C-N 3.31Å; E693-S695 PolarHBondContact O-N 3.2Å; S695-A699 VanDerWaalsContact O-CB 3.29Å; S695-A699 WeakPolarHBondContact O-CB 3.28Å; S695-A699 PolarHBondContact O-N 2.98Å
696K82.9Confident82.3Confident86 Ų8647.3 Ų47.337%0.37426%0.264SS..Hα-helixtrans-64.8-42.4172.5-64.6169.8-170.1164.40111.1E692 E693 K694 E700E692-K696 PolarHBondContact O-N 3.11Å; E692-K696 VanDerWaalsContact O-N 3.13Å; E692-K696 VanDerWaalsContact OE1-CE 3.29Å; E692-K696 WeakPolarHBondContact OE1-CE 3.35Å; E692-K696 IonicContact OE1-NZ 3.9Å; E692-K696 PolarHBondContact OE1-NZ 3.5Å; E693-K696 WeakPolarHBondContact O-CB 3.42Å; E693-K696 PolarHBondContact O-N 3.32Å; E693-K696 VanDerWaalsContact O-N 3.16Å; E693-K696 IonicContact OE1-NZ 3.75Å; E693-K696 PolarHBondContact OE1-NZ 3.21Å; K694-K696 VanDerWaalsContact C-N 3.27Å; K694-K696 PolarHBondContact O-N 2.72Å; K696-E700 PolarHBondContact O-N 3.49Å; K696-E700 VanDerWaalsContact O-N 3.1Å
697L84.7Confident82.1Confident2 Ų248.4 Ų48.41%0.0128%0.277CS..Hα-helixtrans-65.4-47.1176.1-172.663.3000112.6E693 K694 A699 E700 V701 C719 M825 V828 V829E693-L697 PolarHBondContact O-N 3.18Å; K694-L697 PolarHBondContact O-N 3.5Å; K694-L697 VanDerWaalsContact O-N 3.14Å; L697-A699 VanDerWaalsContact C-N 3.3Å; L697-A699 PolarHBondContact O-N 3.44Å; L697-E700 PolarHBondContact O-N 3.41Å; L697-E700 VanDerWaalsContact O-N 3.08Å; L697-V701 HydrophobicContact CD1-CG2 3.6Å; L697-V701 HydrophobicContact CG-CG2 3.9Å; L697-V701 VanDerWaalsContact O-CB 3.32Å; L697-V701 WeakPolarHBondContact O-CB 3.44Å; L697-V701 WeakPolarHBondContact O-CG2 3.34Å; L697-V701 PolarHBondContact O-N 2.97Å; L697-C719 HydrophobicContact CD2-CB 3.71Å; L697-M825 HydrophobicContact CB-CG 4.49Å; L697-M825 HydrophobicContact CB-SD 4.09Å; L697-M825 HydrophobicContact CD2-SD 3.29Å; L697-M825 WeakPolarHBondContact CD2-SD 3.43Å; L697-M825 HydrophobicContact CG-SD 4.31Å; L697-V828 HydrophobicContact CD1-CG1 4.12Å; L697-V828 HydrophobicContact CD2-CG1 4.24Å; L697-V829 HydrophobicContact CB-CG2 3.45Å; L697-V829 VanDerWaalsContact CB-CG2 3.45Å; L697-V829 HydrophobicContact CD1-CB 4.27Å; L697-V829 HydrophobicContact CD1-CG2 3.53Å; L697-V829 HydrophobicContact CG-CG2 4.02Å
698D81.3Confident81.3Confident68 Ų6850.4 Ų50.436%0.36430%0.3SS..Hα-helixtrans-58.2-44.4176.9-82.7-5.3000111.6K694 E700 S702K694-D698 WeakPolarHBondContact CE-OD2 3.21Å; K694-D698 IonicContact NZ-OD1 2.79Å; K694-D698 IonicContact NZ-OD2 3.26Å; K694-D698 PolarHBondContact NZ-OD2 3.38Å; K694-D698 PolarHBondContact O-N 3.44Å; D698-E700 PolarHBondContact O-N 3.39Å; D698-S702 WeakPolarHBondContact O-CB 3.45Å; D698-S702 PolarHBondContact O-N 3.38Å; D698-S702 PolarHBondContact O-OG 2.95Å
699A81.1Confident81.2Confident56 Ų5647.4 Ų47.446%0.46328%0.275SS..Hα-helixtrans-62.9-31.8177.600000112.4S695 L697 S702 K703S695-A699 VanDerWaalsContact O-CB 3.29Å; S695-A699 WeakPolarHBondContact O-CB 3.28Å; S695-A699 PolarHBondContact O-N 2.98Å; L697-A699 VanDerWaalsContact C-N 3.3Å; L697-A699 PolarHBondContact O-N 3.44Å; A699-S702 PolarHBondContact O-OG 2.98Å; A699-K703 VanDerWaalsContact O-CE 3.31Å; A699-K703 WeakPolarHBondContact O-CE 3.35Å
700E84.6Confident81.1Confident19 Ų1949.7 Ų49.79%0.08928%0.284CS..Hα-helixtrans-79.3-53.5177.5-168.657.2-13100111.9K696 L697 D698 S702 K703 W704 V832 K833K696-E700 PolarHBondContact O-N 3.49Å; K696-E700 VanDerWaalsContact O-N 3.1Å; L697-E700 PolarHBondContact O-N 3.41Å; L697-E700 VanDerWaalsContact O-N 3.08Å; D698-E700 PolarHBondContact O-N 3.39Å; E700-S702 VanDerWaalsContact C-N 3.3Å; E700-S702 PolarHBondContact O-N 3.32Å; E700-K703 VanDerWaalsContact CD-NZ 3.31Å; E700-K703 WeakPolarHBondContact O-CB 3.25Å; E700-K703 WeakPolarHBondContact O-CG 2.98Å; E700-K703 PolarHBondContact O-N 3.06Å; E700-K703 IonicContact OE1-NZ 2.69Å; E700-K703 PolarHBondContact OE1-NZ 3.35Å; E700-K703 IonicContact OE2-NZ 3.82Å; E700-K703 PolarHBondContact OE2-NZ 3.41Å; E700-W704 PolarHBondContact OE1-NE1 2.95Å; E700-V832 HydrophobicContact CG-CG1 4.29Å; E700-K833 HydrophobicContact CG-CG 3.87Å; E700-K833 WeakPolarHBondContact OE2-CE 3.39Å
701V82.6Confident80.9Confident8 Ų849.7 Ų49.75%0.04828%0.284CS..Hα-helixtrans-63.5-33.9-177.11660000111.9L697 K703 W704 I712 A715 K716L697-V701 HydrophobicContact CD1-CG2 3.6Å; L697-V701 HydrophobicContact CG-CG2 3.9Å; L697-V701 VanDerWaalsContact O-CB 3.32Å; L697-V701 WeakPolarHBondContact O-CB 3.44Å; L697-V701 WeakPolarHBondContact O-CG2 3.34Å; L697-V701 PolarHBondContact O-N 2.97Å; V701-K703 PolarHBondContact O-N 3.47Å; V701-W704 PolarHBondContact O-N 3.08Å; V701-W704 VanDerWaalsContact O-N 3.12Å; V701-I712 HydrophobicContact CG1-CG2 4.1Å; V701-A715 HydrophobicContact CG2-CB 4.32Å; V701-K716 HydrophobicContact CG1-CD 3.99Å; V701-K716 HydrophobicContact CG1-CG 3.53Å
702S80.3Confident80.8Confident73 Ų7346.6 Ų46.651%0.5127%0.27SS..THydrogen-bonded Turntrans-65.9-15.2178.558.80000114.7D698 A699 E700 W704D698-S702 WeakPolarHBondContact O-CB 3.45Å; D698-S702 PolarHBondContact O-N 3.38Å; D698-S702 PolarHBondContact O-OG 2.95Å; A699-S702 PolarHBondContact O-OG 2.98Å; E700-S702 VanDerWaalsContact C-N 3.3Å; E700-S702 PolarHBondContact O-N 3.32Å; S702-W704 VanDerWaalsContact C-N 3.26Å
703K78.8Confident81Confident95 Ų9544.4 Ų44.441%0.41326%0.263SS..THydrogen-bonded Turntrans-72.9-23174.7-59170.2-1731700112.1A699 E700 V701 M860 K861A699-K703 VanDerWaalsContact O-CE 3.31Å; A699-K703 WeakPolarHBondContact O-CE 3.35Å; E700-K703 VanDerWaalsContact CD-NZ 3.31Å; E700-K703 WeakPolarHBondContact O-CB 3.25Å; E700-K703 WeakPolarHBondContact O-CG 2.98Å; E700-K703 PolarHBondContact O-N 3.06Å; E700-K703 IonicContact OE1-NZ 2.69Å; E700-K703 PolarHBondContact OE1-NZ 3.35Å; E700-K703 IonicContact OE2-NZ 3.82Å; E700-K703 PolarHBondContact OE2-NZ 3.41Å; V701-K703 PolarHBondContact O-N 3.47Å; K703-M860 WeakPolarHBondContact O-CA 3.12Å; K703-K861 PolarHBondContact O-N 3Å
704W80.3Confident81Confident14 Ų1443.9 Ų43.95%0.05326%0.261CS..BIsolated β-bridgetrans-108.2138.7-167.8-55.4107.2000111.1E700 V701 S702 I712 Y836 W858 M860E700-W704 PolarHBondContact OE1-NE1 2.95Å; V701-W704 PolarHBondContact O-N 3.08Å; V701-W704 VanDerWaalsContact O-N 3.12Å; S702-W704 VanDerWaalsContact C-N 3.26Å; W704-I712 HydrophobicContact CB-CD1 3.89Å; W704-I712 HydrophobicContact CB-CG1 3.97Å; W704-I712 HydrophobicContact CG-CD1 3.95Å; W704-I712 HydrophobicContact CG-CG1 4.42Å; W704-Y836 HydrophobicContact CH2-CD1 4.08Å; W704-Y836 AromaticContact CH2-CD2 3.36Å; W704-Y836 HydrophobicContact CH2-CD2 3.36Å; W704-Y836 AromaticContact CH2-CE1 3.98Å; W704-Y836 HydrophobicContact CH2-CE1 3.98Å; W704-Y836 AromaticContact CH2-CE2 3.24Å; W704-Y836 HydrophobicContact CH2-CE2 3.24Å; W704-Y836 AromaticContact CH2-CG 3.78Å; W704-Y836 HydrophobicContact CH2-CG 3.78Å; W704-Y836 AromaticContact CH2-CZ 3.56Å; W704-Y836 HydrophobicContact CZ2-CD1 4.01Å; W704-Y836 AromaticContact CZ2-CD2 3.84Å; W704-Y836 HydrophobicContact CZ2-CD2 3.84Å; W704-Y836 HydrophobicContact CZ2-CE1 4.25Å; W704-Y836 HydrophobicContact CZ2-CE2 4.1Å; W704-Y836 AromaticContact CZ2-CG 3.78Å; W704-Y836 HydrophobicContact CZ2-CG 3.78Å; W704-Y836 AromaticContact CZ3-CD2 3.97Å; W704-Y836 HydrophobicContact CZ3-CD2 3.97Å; W704-Y836 AromaticContact CZ3-CE2 3.83Å; W704-Y836 HydrophobicContact CZ3-CE2 3.83Å; W704-W858 AromaticContact CD2-CE3 3.73Å; W704-W858 HydrophobicContact CD2-CE3 3.73Å; W704-W858 HydrophobicContact CD2-CZ3 4.02Å; W704-W858 AromaticContact CE2-CE3 3.96Å; W704-W858 HydrophobicContact CE3-CB 4.47Å; W704-W858 AromaticContact CE3-CE3 3.77Å; W704-W858 HydrophobicContact CE3-CE3 3.77Å; W704-W858 HydrophobicContact CG-CE3 4.28Å; W704-W858 HydrophobicContact CG-CZ3 4.23Å; W704-W858 HydrophobicContact CH2-CE3 4.31Å; W704-W858 HydrophobicContact CZ2-CE3 4.25Å; W704-W858 HydrophobicContact CZ3-CB 4.18Å; W704-W858 HydrophobicContact CZ3-CE3 4.06Å; W704-M860 HydrophobicContact CE3-CG 4.32Å; W704-M860 HydrophobicContact CH2-CG 4.41Å; W704-M860 HydrophobicContact CZ3-CG 3.84Å
705D76.4Confident81Confident42 Ų4242 Ų4223%0.22525%0.253CS..  trans-73.1132163.7179.818.3000108.2S707 R859D705-S707 VanDerWaalsContact C-N 3.33Å; D705-S707 WeakPolarHBondContact OD1-CB 3.27Å; D705-S707 PolarHBondContact OD1-N 3.37Å; D705-S707 VanDerWaalsContact OD1-N 3.12Å; D705-S707 PolarHBondContact OD1-OG 3.32Å; D705-R859 HydrophobicContact CB-CB 3.98Å; D705-R859 PolarHBondContact N-O 2.94Å
706D78.1Confident81.3Confident66 Ų6642.6 Ų42.635%0.35325%0.247SC..  trans-84.8-10.418045.10.2000112.8G708 N709 I712 V713 K716D706-G708 PolarHBondContact O-N 2.87Å; D706-N709 PolarHBondContact O-N 3.38Å; D706-I712 HydrophobicContact CB-CG2 3.99Å; D706-V713 HydrophobicContact CB-CG2 4.09Å; D706-K716 VanDerWaalsContact CG-NZ 3.34Å; D706-K716 IonicContact OD2-NZ 4Å; D706-K716 PolarHBondContact OD2-NZ 3.49Å
707S72.3Confident81.6Confident77 Ų7742.6 Ų42.654%0.53825%0.249SC..THydrogen-bonded Turntrans-64.297.2177.1-52.10000111.4D705D705-S707 VanDerWaalsContact C-N 3.33Å; D705-S707 WeakPolarHBondContact OD1-CB 3.27Å; D705-S707 PolarHBondContact OD1-N 3.37Å; D705-S707 VanDerWaalsContact OD1-N 3.12Å; D705-S707 PolarHBondContact OD1-OG 3.32Å
708G68.1Low81.9Confident49 Ų4942.5 Ų42.551%0.50525%0.248SC..THydrogen-bonded Turntrans83.527.7-179.900000114.4D706 S857D706-G708 PolarHBondContact O-N 2.87Å; G708-S857 PolarHBondContact O-N 3.01Å; G708-S857 PolarHBondContact O-OG 3.08Å
709N79.9Confident82.4Confident0 Ų039.7 Ų39.70%023%0.234CC..  trans-130.890.2170.9-166.5-35.6000111.5D706 I711 I712 V713 S857D706-N709 PolarHBondContact O-N 3.38Å; N709-I711 PolarHBondContact O-N 2.85Å; N709-I711 WeakPolarHBondContact OD1-CB 3.18Å; N709-I711 PolarHBondContact OD1-N 3.15Å; N709-I712 HydrophobicContact CB-CB 4.15Å; N709-I712 HydrophobicContact CB-CG1 4.1Å; N709-I712 VanDerWaalsContact CG-CG1 3.5Å; N709-I712 PolarHBondContact O-N 3.22Å; N709-I712 VanDerWaalsContact O-N 3.08Å; N709-I712 PolarHBondContact OD1-N 3.36Å; N709-V713 WeakPolarHBondContact O-CG2 3.39Å; N709-V713 PolarHBondContact O-N 3.06Å; N709-V713 VanDerWaalsContact O-N 3.08Å; N709-S857 WeakPolarHBondContact CB-O 3.48Å; N709-S857 PolarHBondContact ND2-O 2.87Å; N709-S857 VanDerWaalsContact ND2-O 3.12Å
710D78.4Confident83Confident86 Ų8642.3 Ų42.346%0.4624%0.237SC..Hα-helixtrans-62.6-26.4-178.5-67.6-19.4000113.4V713 L714 L758 V856D710-V713 PolarHBondContact O-N 3.43Å; D710-L714 VanDerWaalsContact O-CB 3.24Å; D710-L714 WeakPolarHBondContact O-CB 3.39Å; D710-L714 WeakPolarHBondContact O-CD1 3.32Å; D710-L714 WeakPolarHBondContact O-CG 3Å; D710-L714 PolarHBondContact O-N 3.07Å; D710-L758 HydrophobicContact CB-CD1 3.56Å; D710-V856 HydrophobicContact CB-CG1 4.27Å
711I83.3Confident83.2Confident0 Ų042 Ų420%024%0.236CC..Hα-helixtrans-65.5-42.6174.1-72.6175.6000110.7N709 A715 L758 I762 V832 V856 W858N709-I711 PolarHBondContact O-N 2.85Å; N709-I711 WeakPolarHBondContact OD1-CB 3.18Å; N709-I711 PolarHBondContact OD1-N 3.15Å; I711-A715 VanDerWaalsContact O-CB 3.27Å; I711-A715 WeakPolarHBondContact O-CB 3.49Å; I711-A715 PolarHBondContact O-N 2.86Å; I711-L758 HydrophobicContact CD1-CB 4.15Å; I711-L758 HydrophobicContact CG1-CB 3.94Å; I711-L758 HydrophobicContact CG1-CD1 4.09Å; I711-I762 HydrophobicContact CD1-CD1 3.3Å; I711-V832 HydrophobicContact CG2-CG2 3.99Å; I711-V856 HydrophobicContact CB-CG1 4.49Å; I711-V856 HydrophobicContact CD1-CG1 4.42Å; I711-V856 HydrophobicContact CD1-CG2 4.24Å; I711-V856 HydrophobicContact CG1-CG1 4.13Å; I711-W858 HydrophobicContact CG2-CH2 4.44Å
712I84.7Confident83.8Confident0 Ų041.6 Ų41.60%023%0.234CC..Hα-helixtrans-67.9-40.9177.2-65.5-62000110.9V701 W704 D706 N709 A715 K716 V832 W858V701-I712 HydrophobicContact CG1-CG2 4.1Å; W704-I712 HydrophobicContact CB-CD1 3.89Å; W704-I712 HydrophobicContact CB-CG1 3.97Å; W704-I712 HydrophobicContact CG-CD1 3.95Å; W704-I712 HydrophobicContact CG-CG1 4.42Å; D706-I712 HydrophobicContact CB-CG2 3.99Å; N709-I712 HydrophobicContact CB-CB 4.15Å; N709-I712 HydrophobicContact CB-CG1 4.1Å; N709-I712 VanDerWaalsContact CG-CG1 3.5Å; N709-I712 PolarHBondContact O-N 3.22Å; N709-I712 VanDerWaalsContact O-N 3.08Å; N709-I712 PolarHBondContact OD1-N 3.36Å; I712-A715 PolarHBondContact O-N 3.41Å; I712-K716 WeakPolarHBondContact O-CG 3.5Å; I712-K716 PolarHBondContact O-N 3.25Å; I712-V832 HydrophobicContact CD1-CG1 3.61Å; I712-W858 HydrophobicContact CD1-CH2 4.38Å; I712-W858 HydrophobicContact CD1-CZ3 3.95Å; I712-W858 HydrophobicContact CG1-CZ3 4.23Å
713V86Confident84.3Confident62 Ų6240.8 Ų40.838%0.37622%0.223SC..Hα-helixtrans-63.2-47.5175.9176.30000111D706 N709 D710 A715 K716 Q717D706-V713 HydrophobicContact CB-CG2 4.09Å; N709-V713 WeakPolarHBondContact O-CG2 3.39Å; N709-V713 PolarHBondContact O-N 3.06Å; N709-V713 VanDerWaalsContact O-N 3.08Å; D710-V713 PolarHBondContact O-N 3.43Å; V713-A715 PolarHBondContact O-N 3.35Å; V713-K716 PolarHBondContact O-N 3.24Å; V713-Q717 WeakPolarHBondContact O-CB 3.11Å; V713-Q717 PolarHBondContact O-N 3.06Å
714L86.3Confident85Confident13 Ų1338.6 Ų38.67%0.06821%0.214CC..Hα-helixtrans-63.7-39177.2-71.1167.5000111.7D710 Q717 M718 A751 K754 M755 L758D710-L714 VanDerWaalsContact O-CB 3.24Å; D710-L714 WeakPolarHBondContact O-CB 3.39Å; D710-L714 WeakPolarHBondContact O-CD1 3.32Å; D710-L714 WeakPolarHBondContact O-CG 3Å; D710-L714 PolarHBondContact O-N 3.07Å; L714-Q717 PolarHBondContact O-N 3.12Å; L714-M718 WeakPolarHBondContact O-CB 3.35Å; L714-M718 VanDerWaalsContact O-CG 3.25Å; L714-M718 WeakPolarHBondContact O-CG 3.17Å; L714-M718 PolarHBondContact O-N 3.26Å; L714-A751 HydrophobicContact CD2-CB 4.01Å; L714-K754 HydrophobicContact CD1-CB 3.82Å; L714-K754 HydrophobicContact CD2-CB 4.16Å; L714-K754 HydrophobicContact CD2-CD 4.36Å; L714-M755 HydrophobicContact CB-CE 3.66Å; L714-M755 HydrophobicContact CD1-CB 4.15Å; L714-L758 HydrophobicContact CD1-CD1 3.81Å
715A88.5Confident85.5Confident0 Ų038 Ų380%021%0.212CC..Hα-helixtrans-63.3-43.1175.700000112V701 I711 I712 V713 C719 M755 V828 V832V701-A715 HydrophobicContact CG2-CB 4.32Å; I711-A715 VanDerWaalsContact O-CB 3.27Å; I711-A715 WeakPolarHBondContact O-CB 3.49Å; I711-A715 PolarHBondContact O-N 2.86Å; I712-A715 PolarHBondContact O-N 3.41Å; V713-A715 PolarHBondContact O-N 3.35Å; A715-C719 WeakPolarHBondContact O-CB 3.32Å; A715-C719 PolarHBondContact O-N 3.46Å; A715-M755 HydrophobicContact CB-CE 3.95Å; A715-V828 HydrophobicContact CB-CG1 3.7Å; A715-V832 HydrophobicContact CB-CG2 3.81Å
716K88Confident86Confident79 Ų7936.1 Ų36.134%0.34320%0.202SC..Hα-helixtrans-62.8-42.9173.1-72.4178.7-175.2-177.70111.8V701 D706 I712 V713 C719 M720V701-K716 HydrophobicContact CG1-CD 3.99Å; V701-K716 HydrophobicContact CG1-CG 3.53Å; D706-K716 VanDerWaalsContact CG-NZ 3.34Å; D706-K716 IonicContact OD2-NZ 4Å; D706-K716 PolarHBondContact OD2-NZ 3.49Å; I712-K716 WeakPolarHBondContact O-CG 3.5Å; I712-K716 PolarHBondContact O-N 3.25Å; V713-K716 PolarHBondContact O-N 3.24Å; K716-C719 WeakPolarHBondContact O-CB 3.46Å; K716-C719 PolarHBondContact O-N 3.01Å; K716-M720 WeakPolarHBondContact O-CB 3.31Å; K716-M720 PolarHBondContact O-N 3.2Å
717Q89.5Confident86.6Confident86 Ų8635 Ų3540%0.40220%0.196SC..Hα-helixtrans-63.7-49.5178.8-176.4-178.80.100111.6V713 L714 C719 M720 I721V713-Q717 WeakPolarHBondContact O-CB 3.11Å; V713-Q717 PolarHBondContact O-N 3.06Å; L714-Q717 PolarHBondContact O-N 3.12Å; Q717-C719 VanDerWaalsContact C-N 3.32Å; Q717-C719 PolarHBondContact O-N 2.99Å; Q717-M720 PolarHBondContact O-N 3.39Å; Q717-I721 HydrophobicContact CG-CD1 3.97Å; Q717-I721 VanDerWaalsContact O-CG1 3.31Å; Q717-I721 WeakPolarHBondContact O-CG1 3.48Å; Q717-I721 PolarHBondContact O-N 3.16Å; Q717-I721 VanDerWaalsContact O-N 3.07Å
718M91.4Very high87.4Confident0 Ų032 Ų320%017%0.173CC..Hα-helixtrans-61.9-40.7176.8-69.1174.375.700111.1L714 I721 M722 I748 A751 M755 I782 L824 V828L714-M718 WeakPolarHBondContact O-CB 3.35Å; L714-M718 VanDerWaalsContact O-CG 3.25Å; L714-M718 WeakPolarHBondContact O-CG 3.17Å; L714-M718 PolarHBondContact O-N 3.26Å; M718-I721 PolarHBondContact O-N 2.92Å; M718-M722 HydrophobicContact CB-CE 4.04Å; M718-M722 WeakPolarHBondContact O-CB 3.39Å; M718-M722 WeakPolarHBondContact O-CE 3.47Å; M718-M722 VanDerWaalsContact O-CG 3.31Å; M718-M722 WeakPolarHBondContact O-CG 3.28Å; M718-M722 PolarHBondContact O-N 3.43Å; M718-I748 HydrophobicContact CE-CG2 4.02Å; M718-A751 HydrophobicContact CG-CB 3.56Å; M718-A751 HydrophobicContact SD-CB 4.1Å; M718-M755 HydrophobicContact SD-CE 3.76Å; M718-M755 HydrophobicContact SD-SD 4.35Å; M718-I782 HydrophobicContact CE-CG2 4.35Å; M718-L824 HydrophobicContact CE-CD1 4.02Å; M718-L824 HydrophobicContact CE-CD2 4.11Å; M718-L824 HydrophobicContact CE-CG 4.27Å; M718-V828 HydrophobicContact CE-CG2 3.81Å; M718-V828 HydrophobicContact SD-CG2 4.18Å
719C92Very high88.2Confident9 Ų929.8 Ų29.86%0.06115%0.15CC..Hα-helixtrans-58.4-48.9174.6-177.10000112L697 A715 K716 Q717 I721 M722 M723 M825L697-C719 HydrophobicContact CD2-CB 3.71Å; A715-C719 WeakPolarHBondContact O-CB 3.32Å; A715-C719 PolarHBondContact O-N 3.46Å; K716-C719 WeakPolarHBondContact O-CB 3.46Å; K716-C719 PolarHBondContact O-N 3.01Å; Q717-C719 VanDerWaalsContact C-N 3.32Å; Q717-C719 PolarHBondContact O-N 2.99Å; C719-I721 PolarHBondContact O-N 3Å; C719-M722 PolarHBondContact O-N 2.88Å; C719-M723 WeakPolarHBondContact O-CG 3.37Å; C719-M723 PolarHBondContact O-N 3.12Å; C719-M825 HydrophobicContact CB-CE 4.33Å; C719-M825 HydrophobicContact CB-SD 4.26Å
720M92.9Very high88.4Confident110 Ų11034.6 Ų34.654%0.54217%0.168SC..Hα-helixtrans-58.9-48.3178.8-177.5175.5175.500111.6K716 Q717 M722 M723 E724K716-M720 WeakPolarHBondContact O-CB 3.31Å; K716-M720 PolarHBondContact O-N 3.2Å; Q717-M720 PolarHBondContact O-N 3.39Å; M720-M722 PolarHBondContact O-N 2.99Å; M720-M723 WeakPolarHBondContact O-CB 3.25Å; M720-M723 PolarHBondContact O-N 3.27Å; M720-E724 WeakPolarHBondContact CE-OE1 3.28Å; M720-E724 WeakPolarHBondContact O-CG 3.41Å; M720-E724 PolarHBondContact O-N 3.45Å
721I90.8Very high88.6Confident13 Ų1331 Ų317%0.06715%0.151CC..Hα-helixtrans-67.9-38.7-178.3-56162.4000110.9Q717 M718 C719 M723 E724 M725 A744 K747 I748Q717-I721 HydrophobicContact CG-CD1 3.97Å; Q717-I721 VanDerWaalsContact O-CG1 3.31Å; Q717-I721 WeakPolarHBondContact O-CG1 3.48Å; Q717-I721 PolarHBondContact O-N 3.16Å; Q717-I721 VanDerWaalsContact O-N 3.07Å; M718-I721 PolarHBondContact O-N 2.92Å; C719-I721 PolarHBondContact O-N 3Å; I721-M723 VanDerWaalsContact C-N 3.3Å; I721-M723 PolarHBondContact O-N 2.67Å; I721-E724 PolarHBondContact O-N 2.87Å; I721-M725 HydrophobicContact CG2-SD 4.31Å; I721-M725 WeakPolarHBondContact O-CG 3.4Å; I721-M725 PolarHBondContact O-N 3.28Å; I721-A744 HydrophobicContact CG2-CB 3.67Å; I721-K747 HydrophobicContact CD1-CB 3.99Å; I721-I748 HydrophobicContact CB-CD1 3.93Å; I721-I748 HydrophobicContact CB-CG1 3.74Å; I721-I748 HydrophobicContact CD1-CG1 4.25Å; I721-I748 HydrophobicContact CG2-CD1 3.63Å; I721-I748 HydrophobicContact CG2-CG1 3.6Å
722M93.3Very high88.6Confident0 Ų036.8 Ų36.80%018%0.176CC..Hα-helixtrans-63.1-35.4173.6-75-174.1-79.300112.3F690 M718 C719 M720 M725 T726 I748 A821 L824 M825F690-M722 HydrophobicContact CE2-CB 4.17Å; F690-M722 HydrophobicContact CZ-CB 3.98Å; M718-M722 HydrophobicContact CB-CE 4.04Å; M718-M722 WeakPolarHBondContact O-CB 3.39Å; M718-M722 WeakPolarHBondContact O-CE 3.47Å; M718-M722 VanDerWaalsContact O-CG 3.31Å; M718-M722 WeakPolarHBondContact O-CG 3.28Å; M718-M722 PolarHBondContact O-N 3.43Å; C719-M722 PolarHBondContact O-N 2.88Å; M720-M722 PolarHBondContact O-N 2.99Å; M722-M725 PolarHBondContact O-N 3.48Å; M722-T726 WeakPolarHBondContact O-CG2 3.36Å; M722-T726 PolarHBondContact O-N 2.94Å; M722-T726 PolarHBondContact O-OG1 3.19Å; M722-I748 HydrophobicContact CG-CD1 3.61Å; M722-A821 HydrophobicContact CB-CB 4.37Å; M722-A821 HydrophobicContact CG-CB 4.23Å; M722-A821 HydrophobicContact SD-CB 4.26Å; M722-L824 HydrophobicContact CE-CD2 4.45Å; M722-L824 HydrophobicContact CE-CG 4.26Å; M722-L824 HydrophobicContact SD-CB 3.87Å; M722-L824 HydrophobicContact SD-CD2 3.75Å; M722-L824 HydrophobicContact SD-CG 3.8Å; M722-M825 HydrophobicContact CB-CE 4.05Å; M722-M825 HydrophobicContact CE-CB 4.43Å; M722-M825 HydrophobicContact CE-CE 3.63Å; M722-M825 HydrophobicContact CE-SD 3.84Å; M722-M825 HydrophobicContact SD-CE 4.11Å
723M92.4Very high88.6Confident56 Ų5638 Ų3828%0.27619%0.189SC..Hα-helixtrans-65.2-43.3171-69.3-160.4-33.600112F690 K694 C719 M720 I721 M725 T726 D727F690-M723 HydrophobicContact CE1-CG 4.28Å; F690-M723 HydrophobicContact CZ-CG 4.49Å; K694-M723 HydrophobicContact CD-SD 4.41Å; K694-M723 VanDerWaalsContact CE-SD 3.58Å; K694-M723 HydrophobicContact CG-SD 4.42Å; C719-M723 WeakPolarHBondContact O-CG 3.37Å; C719-M723 PolarHBondContact O-N 3.12Å; M720-M723 WeakPolarHBondContact O-CB 3.25Å; M720-M723 PolarHBondContact O-N 3.27Å; I721-M723 VanDerWaalsContact C-N 3.3Å; I721-M723 PolarHBondContact O-N 2.67Å; M723-M725 VanDerWaalsContact C-N 3.26Å; M723-M725 PolarHBondContact O-N 3.11Å; M723-T726 WeakPolarHBondContact CA-OG1 3.46Å; M723-T726 PolarHBondContact O-N 3.12Å; M723-T726 PolarHBondContact O-OG1 3.15Å; M723-T726 VanDerWaalsContact O-OG1 3.06Å; M723-D727 WeakPolarHBondContact O-CB 3.35Å; M723-D727 PolarHBondContact O-N 3.22Å
724E92.4Very high88.6Confident48 Ų4838.7 Ų38.722%0.22420%0.195CC..Hα-helixtrans-61.5-36.9177.9-67.6176.9171.900111.9M720 I721 F728 P734 L735M720-E724 WeakPolarHBondContact CE-OE1 3.28Å; M720-E724 WeakPolarHBondContact O-CG 3.41Å; M720-E724 PolarHBondContact O-N 3.45Å; I721-E724 PolarHBondContact O-N 2.87Å; E724-F728 WeakPolarHBondContact O-CB 3.25Å; E724-F728 PolarHBondContact O-N 3.28Å; E724-P734 HydrophobicContact CB-CG 4Å; E724-P734 HydrophobicContact CG-CG 3.57Å; E724-L735 HydrophobicContact CB-CD1 4.24Å; E724-L735 HydrophobicContact CB-CG 4.23Å
725M90.2Very high88.7Confident1 Ų138.8 Ų38.81%0.00520%0.196CC..Hα-helixtrans-70.8-37.7175.5-67.7176.472.100113I721 M722 M723 F728 T729 L735 V741 A744 A745 I748 L789 L817I721-M725 HydrophobicContact CG2-SD 4.31Å; I721-M725 WeakPolarHBondContact O-CG 3.4Å; I721-M725 PolarHBondContact O-N 3.28Å; M722-M725 PolarHBondContact O-N 3.48Å; M723-M725 VanDerWaalsContact C-N 3.26Å; M723-M725 PolarHBondContact O-N 3.11Å; M725-F728 WeakPolarHBondContact O-CB 3.35Å; M725-T729 PolarHBondContact O-N 3.19Å; M725-L735 HydrophobicContact CB-CD1 4.47Å; M725-L735 HydrophobicContact CG-CD1 3.85Å; M725-V741 HydrophobicContact CE-CG1 3.89Å; M725-A744 HydrophobicContact CG-CB 3.73Å; M725-A744 HydrophobicContact SD-CB 3.75Å; M725-A745 HydrophobicContact CE-CB 3.94Å; M725-I748 HydrophobicContact SD-CD1 3.48Å; M725-I748 WeakPolarHBondContact SD-CD1 3.33Å; M725-L789 HydrophobicContact CE-CD1 4.08Å; M725-L789 HydrophobicContact CE-CD2 4.08Å; M725-L789 HydrophobicContact CE-CG 3.91Å; M725-L789 HydrophobicContact SD-CD2 4.12Å; M725-L817 HydrophobicContact CB-CD2 4.35Å; M725-L817 HydrophobicContact CE-CD1 3.63Å; M725-L817 HydrophobicContact CE-CD2 4.16Å; M725-L817 HydrophobicContact CE-CG 4.11Å
726T88.4Confident88.4Confident3 Ų344.6 Ų44.62%0.01822%0.221CC..Hα-helixtrans-78.5-23.4175.552.20000113.1F690 M722 M723 T729 R730 I818 A821F690-T726 HydrophobicContact CD1-CG2 4.07Å; F690-T726 HydrophobicContact CD2-CG2 4.21Å; F690-T726 HydrophobicContact CE1-CG2 4.04Å; F690-T726 WeakPolarHBondContact CE1-OG1 3.48Å; F690-T726 HydrophobicContact CE2-CG2 4.19Å; F690-T726 HydrophobicContact CG-CG2 4.16Å; F690-T726 HydrophobicContact CZ-CG2 4.1Å; M722-T726 WeakPolarHBondContact O-CG2 3.36Å; M722-T726 PolarHBondContact O-N 2.94Å; M722-T726 PolarHBondContact O-OG1 3.19Å; M723-T726 WeakPolarHBondContact CA-OG1 3.46Å; M723-T726 PolarHBondContact O-N 3.12Å; M723-T726 PolarHBondContact O-OG1 3.15Å; M723-T726 VanDerWaalsContact O-OG1 3.06Å; T726-T729 PolarHBondContact O-OG1 3.23Å; T726-R730 WeakPolarHBondContact O-CG 3.24Å; T726-I818 HydrophobicContact CG2-CB 4.45Å; T726-I818 HydrophobicContact CG2-CG1 4.07Å; T726-I818 HydrophobicContact CG2-CG2 4.34Å; T726-A821 HydrophobicContact CG2-CB 4.25Å
727D89.2Confident88.2Confident43 Ų4342.2 Ų42.223%0.2321%0.212CC..Hα-helixtrans-76.6-32.7170.1-82.5-27.2000111.6M723 T729 R730 G731 K732M723-D727 WeakPolarHBondContact O-CB 3.35Å; M723-D727 PolarHBondContact O-N 3.22Å; D727-T729 VanDerWaalsContact C-N 3.3Å; D727-T729 PolarHBondContact O-N 2.58Å; D727-R730 WeakPolarHBondContact O-CB 3.31Å; D727-R730 PolarHBondContact O-N 2.94Å; D727-R730 IonicContact OD1-NH1 2.8Å; D727-R730 PolarHBondContact OD1-NH1 3.49Å; D727-G731 PolarHBondContact O-N 3.22Å; D727-K732 CarbonylContact C-O 3.25Å; D727-K732 CarbonylContact O-C 3.32Å; D727-K732 WeakPolarHBondContact O-CA 3.48Å; D727-K732 PolarHBondContact O-N 3.3Å
728F89.3Confident87.6Confident15 Ų1539.3 Ų39.37%0.06620%0.2CC..Hα-helixtrans-56.3-43.6172.1171.8-94.2000111.8A668 R669 M672 E724 M725 R730 G731 K732 L735 V741A668-F728 HydrophobicContact CB-CE2 4.25Å; A668-F728 HydrophobicContact CB-CZ 3.9Å; R669-F728 HydrophobicContact CB-CD2 3.99Å; R669-F728 HydrophobicContact CB-CE2 3.89Å; R669-F728 HydrophobicContact CG-CD2 4.34Å; M672-F728 HydrophobicContact CG-CE1 4.32Å; M672-F728 HydrophobicContact CG-CZ 4.48Å; E724-F728 WeakPolarHBondContact O-CB 3.25Å; E724-F728 PolarHBondContact O-N 3.28Å; M725-F728 WeakPolarHBondContact O-CB 3.35Å; F728-R730 PolarHBondContact O-N 2.86Å; F728-G731 PolarHBondContact O-N 2.83Å; F728-K732 WeakPolarHBondContact CA-O 3.32Å; F728-K732 PolarHBondContact N-O 2.68Å; F728-L735 HydrophobicContact CB-CB 4.19Å; F728-L735 HydrophobicContact CB-CD1 4.22Å; F728-L735 HydrophobicContact CD2-CB 3.86Å; F728-L735 WeakPolarHBondContact CD2-O 3.42Å; F728-L735 HydrophobicContact CG-CB 4.32Å; F728-V741 HydrophobicContact CD1-CG2 3.58Å; F728-V741 HydrophobicContact CD2-CG2 3.92Å; F728-V741 HydrophobicContact CE1-CG2 3.57Å; F728-V741 HydrophobicContact CE2-CG2 3.88Å; F728-V741 HydrophobicContact CG-CG2 3.77Å; F728-V741 HydrophobicContact CZ-CG2 3.71Å
729T85.2Confident87Confident1 Ų140.6 Ų40.61%0.00621%0.209CC..Hα-helixtrans-65.8-21.8177.9610000112.9M672 I683 M725 T726 D727 G731 A814 L817 I818M672-T729 HydrophobicContact CE-CG2 4.41Å; I683-T729 WeakPolarHBondContact CD1-O 3.44Å; M725-T729 PolarHBondContact O-N 3.19Å; T726-T729 PolarHBondContact O-OG1 3.23Å; D727-T729 VanDerWaalsContact C-N 3.3Å; D727-T729 PolarHBondContact O-N 2.58Å; T729-G731 VanDerWaalsContact C-N 3.29Å; T729-A814 HydrophobicContact CG2-CB 3.52Å; T729-L817 HydrophobicContact CG2-CD2 4.08Å; T729-I818 HydrophobicContact CG2-CD1 4.39Å; T729-I818 HydrophobicContact CG2-CG1 4.32Å
730R83.8Confident86.7Confident101 Ų10142.2 Ų42.238%0.38122%0.217SC..THydrogen-bonded Turntrans-86.93.8173.7-58.916872.5-1617.4113.3I683 V687 T726 D727 F728 K732I683-R730 HydrophobicContact CG2-CG 3.97Å; V687-R730 HydrophobicContact CG2-CG 4.2Å; T726-R730 WeakPolarHBondContact O-CG 3.24Å; D727-R730 WeakPolarHBondContact O-CB 3.31Å; D727-R730 PolarHBondContact O-N 2.94Å; D727-R730 IonicContact OD1-NH1 2.8Å; D727-R730 PolarHBondContact OD1-NH1 3.49Å; F728-R730 PolarHBondContact O-N 2.86Å; R730-K732 PolarHBondContact O-N 3.16Å
731G83.4Confident86.2Confident11 Ų1137.2 Ų37.211%0.11319%0.192CC..THydrogen-bonded Turntrans69.420.6-172.700000113.9R669 D727 F728 T729R669-G731 WeakPolarHBondContact O-CA 3.48Å; D727-G731 PolarHBondContact O-N 3.22Å; F728-G731 PolarHBondContact O-N 2.83Å; T729-G731 VanDerWaalsContact C-N 3.29Å
732K82.8Confident85.8Confident121 Ų12138.6 Ų38.653%0.52620%0.2SC..  trans-122.7-176.7-178.8-64.5-178.9-176.1178.80109.7D727 F728 R730D727-K732 CarbonylContact C-O 3.25Å; D727-K732 CarbonylContact O-C 3.32Å; D727-K732 WeakPolarHBondContact O-CA 3.48Å; D727-K732 PolarHBondContact O-N 3.3Å; F728-K732 WeakPolarHBondContact CA-O 3.32Å; F728-K732 PolarHBondContact N-O 2.68Å; R730-K732 PolarHBondContact O-N 3.16Å
733G84.9Confident85.4Confident26 Ų2644.6 Ų44.627%0.26823%0.226SC..SBendtrans78.9-177.8176.700000114.9R669R669-G733 PolarHBondContact NH1-O 3.39Å
734P85.7Confident85.2Confident76 Ų7642.1 Ų42.149%0.49421%0.214SC..SBendtrans-86.3-20.7-166.631.8-34.1000114.8E724E724-P734 HydrophobicContact CB-CG 4Å; E724-P734 HydrophobicContact CG-CG 3.57Å
735L88.4Confident84.9Confident16 Ų1639.9 Ų39.98%0.08420%0.204CC..  trans-74.8128.5-179.2-50.9179.5000109.6R669 E724 M725 F728 D740 V741 A744R669-L735 VanDerWaalsContact CD-O 3.28Å; R669-L735 WeakPolarHBondContact CD-O 3.39Å; E724-L735 HydrophobicContact CB-CD1 4.24Å; E724-L735 HydrophobicContact CB-CG 4.23Å; M725-L735 HydrophobicContact CB-CD1 4.47Å; M725-L735 HydrophobicContact CG-CD1 3.85Å; F728-L735 HydrophobicContact CB-CB 4.19Å; F728-L735 HydrophobicContact CB-CD1 4.22Å; F728-L735 HydrophobicContact CD2-CB 3.86Å; F728-L735 WeakPolarHBondContact CD2-O 3.42Å; F728-L735 HydrophobicContact CG-CB 4.32Å; L735-D740 HydrophobicContact CB-CB 4.06Å; L735-D740 HydrophobicContact CD2-CB 4.02Å; L735-V741 HydrophobicContact CD1-CG2 4.23Å; L735-A744 HydrophobicContact CD1-CB 4.09Å; L735-A744 HydrophobicContact CD2-CB 4.38Å
736K83.1Confident84.4Confident121 Ų12145.3 Ų45.353%0.52623%0.228SC..  trans-102.9-39.8-173.3-65.9-176.1-178.4178.70112.7S667 A668 R669 D740S667-K736 PolarHBondContact OG-O 2.79Å; A668-K736 PolarHBondContact N-O 3.41Å; R669-K736 WeakPolarHBondContact CB-O 3.41Å; R669-K736 PolarHBondContact N-O 3.22Å; K736-D740 PolarHBondContact N-OD2 3.23Å
737N83Confident84.4Confident29 Ų2950.9 Ų50.916%0.15525%0.252CS..SBendtrans-128.2162.9-173.7-67.6-24.3000111.9Q661 S667 A668 S739 D740 V741Q661-N737 PolarHBondContact OE1-ND2 2.63Å; S667-N737 WeakPolarHBondContact CB-OD1 3.37Å; A668-N737 PolarHBondContact N-OD1 3.47Å; N737-S739 PolarHBondContact O-N 2.92Å; N737-S739 VanDerWaalsContact O-N 3.16Å; N737-D740 PolarHBondContact N-OD2 3.38Å; N737-D740 VanDerWaalsContact N-OD2 3.13Å; N737-D740 WeakPolarHBondContact O-CA 3.28Å; N737-D740 VanDerWaalsContact O-CB 3.32Å; N737-D740 WeakPolarHBondContact O-CB 3.31Å; N737-D740 PolarHBondContact O-N 3.03Å; N737-V741 PolarHBondContact O-N 3.31Å
738T77.9Confident84.4Confident26 Ų2648.9 Ų48.916%0.1624%0.241CC..Hα-helixtrans-55.7-32.2175.7-45.60000112.2D740 V741 I742T738-D740 VanDerWaalsContact C-N 3.25Å; T738-D740 PolarHBondContact O-N 2.96Å; T738-V741 WeakPolarHBondContact O-CB 3.48Å; T738-V741 PolarHBondContact O-N 3.39Å; T738-V741 VanDerWaalsContact O-N 3.17Å; T738-I742 HydrophobicContact CG2-CD1 4.29Å; T738-I742 VanDerWaalsContact O-CG1 3.32Å; T738-I742 WeakPolarHBondContact O-CG1 3.31Å; T738-I742 PolarHBondContact O-N 2.91Å
739S78.4Confident83.9Confident26 Ų2649 Ų4918%0.18225%0.245CC..Hα-helixtrans-58.5-35.6172.358.70000113.3Q661 N737 K743Q661-S739 PolarHBondContact NE2-OG 3.23Å; Q661-S739 PolarHBondContact OE1-OG 3.46Å; N737-S739 PolarHBondContact O-N 2.92Å; N737-S739 VanDerWaalsContact O-N 3.16Å; S739-K743 WeakPolarHBondContact O-CB 3.37Å; S739-K743 VanDerWaalsContact O-CG 3.24Å; S739-K743 WeakPolarHBondContact O-CG 3.39Å; S739-K743 PolarHBondContact O-N 3.33Å
740D85Confident83.7Confident43 Ų4354.4 Ų54.423%0.2327%0.27CS..Hα-helixtrans-73.5-36.1178.5-57.7-30.1000110.5L735 K736 N737 T738 K743 A744L735-D740 HydrophobicContact CB-CB 4.06Å; L735-D740 HydrophobicContact CD2-CB 4.02Å; K736-D740 PolarHBondContact N-OD2 3.23Å; N737-D740 PolarHBondContact N-OD2 3.38Å; N737-D740 VanDerWaalsContact N-OD2 3.13Å; N737-D740 WeakPolarHBondContact O-CA 3.28Å; N737-D740 VanDerWaalsContact O-CB 3.32Å; N737-D740 WeakPolarHBondContact O-CB 3.31Å; N737-D740 PolarHBondContact O-N 3.03Å; T738-D740 VanDerWaalsContact C-N 3.25Å; T738-D740 PolarHBondContact O-N 2.96Å; D740-K743 PolarHBondContact O-N 3.18Å; D740-A744 VanDerWaalsContact O-CB 3.32Å; D740-A744 WeakPolarHBondContact O-CB 3.36Å; D740-A744 PolarHBondContact O-N 3.04Å
741V83.9Confident83.8Confident5 Ų549.7 Ų49.73%0.0325%0.253CS..Hα-helixtrans-66.2-42.6174.8-173.70000110.9M725 F728 L735 N737 T738 K743 A744 A745 L817M725-V741 HydrophobicContact CE-CG1 3.89Å; F728-V741 HydrophobicContact CD1-CG2 3.58Å; F728-V741 HydrophobicContact CD2-CG2 3.92Å; F728-V741 HydrophobicContact CE1-CG2 3.57Å; F728-V741 HydrophobicContact CE2-CG2 3.88Å; F728-V741 HydrophobicContact CG-CG2 3.77Å; F728-V741 HydrophobicContact CZ-CG2 3.71Å; L735-V741 HydrophobicContact CD1-CG2 4.23Å; N737-V741 PolarHBondContact O-N 3.31Å; T738-V741 WeakPolarHBondContact O-CB 3.48Å; T738-V741 PolarHBondContact O-N 3.39Å; T738-V741 VanDerWaalsContact O-N 3.17Å; V741-K743 PolarHBondContact O-N 3.14Å; V741-A744 WeakPolarHBondContact O-CB 3.32Å; V741-A744 PolarHBondContact O-N 3.25Å; V741-A745 PolarHBondContact O-N 3.1Å; V741-L817 HydrophobicContact CG1-CD2 4.01Å
742I81.4Confident83.8Confident43 Ų4349.3 Ų49.322%0.22125%0.249CC..Hα-helixtrans-62.4-43.3173.9-65.5164.8000110.6T738 A744 A745 K746 S793T738-I742 HydrophobicContact CG2-CD1 4.29Å; T738-I742 VanDerWaalsContact O-CG1 3.32Å; T738-I742 WeakPolarHBondContact O-CG1 3.31Å; T738-I742 PolarHBondContact O-N 2.91Å; I742-A744 VanDerWaalsContact C-N 3.34Å; I742-A745 PolarHBondContact O-N 3.31Å; I742-K746 WeakPolarHBondContact O-CG 3.41Å; I742-K746 PolarHBondContact O-N 2.79Å; I742-S793 WeakPolarHBondContact CG1-O 3.49Å
743K84.8Confident83.4Confident125 Ų12547.1 Ų47.154%0.54325%0.246SC..Hα-helixtrans-63.8-39.2175.3-74.6171.1-174.9174.30111.5S739 D740 V741 K746 K747S739-K743 WeakPolarHBondContact O-CB 3.37Å; S739-K743 VanDerWaalsContact O-CG 3.24Å; S739-K743 WeakPolarHBondContact O-CG 3.39Å; S739-K743 PolarHBondContact O-N 3.33Å; D740-K743 PolarHBondContact O-N 3.18Å; V741-K743 PolarHBondContact O-N 3.14Å; K743-K746 PolarHBondContact O-N 3.43Å; K743-K747 WeakPolarHBondContact O-CG 3.43Å; K743-K747 PolarHBondContact O-N 3.39Å
744A88.6Confident83Confident5 Ų551.8 Ų51.84%0.04126%0.258CS..Hα-helixtrans-63.9-45.417600000111.7I721 M725 L735 D740 V741 I742 K746 K747 I748I721-A744 HydrophobicContact CG2-CB 3.67Å; M725-A744 HydrophobicContact CG-CB 3.73Å; M725-A744 HydrophobicContact SD-CB 3.75Å; L735-A744 HydrophobicContact CD1-CB 4.09Å; L735-A744 HydrophobicContact CD2-CB 4.38Å; D740-A744 VanDerWaalsContact O-CB 3.32Å; D740-A744 WeakPolarHBondContact O-CB 3.36Å; D740-A744 PolarHBondContact O-N 3.04Å; V741-A744 WeakPolarHBondContact O-CB 3.32Å; V741-A744 PolarHBondContact O-N 3.25Å; I742-A744 VanDerWaalsContact C-N 3.34Å; A744-K746 PolarHBondContact O-N 3.41Å; A744-K747 PolarHBondContact O-N 3.48Å; A744-I748 WeakPolarHBondContact O-CG1 3.35Å; A744-I748 PolarHBondContact O-N 2.86Å
745A85.1Confident83Confident1 Ų148.1 Ų48.11%0.00824%0.235CC..Hα-helixtrans-62.1-42.4175.900000112.3M725 V741 I742 K747 I748 A749 N790 S793M725-A745 HydrophobicContact CE-CB 3.94Å; V741-A745 PolarHBondContact O-N 3.1Å; I742-A745 PolarHBondContact O-N 3.31Å; A745-K747 PolarHBondContact O-N 2.92Å; A745-I748 PolarHBondContact O-N 3.05Å; A745-A749 PolarHBondContact O-N 3.19Å; A745-N790 WeakPolarHBondContact CB-OD1 3.26Å; A745-N790 PolarHBondContact O-OD1 2.95Å; A745-S793 VanDerWaalsContact CB-CB 3.5Å; A745-S793 VanDerWaalsContact CB-OG 3.25Å; A745-S793 WeakPolarHBondContact CB-OG 3.37Å
746K81.1Confident82.3Confident115 Ų11548.8 Ų48.850%0.524%0.238SC..Hα-helixtrans-60.4-44.5173-74.3-177.3-179.8-174.40112.1I742 K743 A744 I748 A749 E750 N790I742-K746 WeakPolarHBondContact O-CG 3.41Å; I742-K746 PolarHBondContact O-N 2.79Å; K743-K746 PolarHBondContact O-N 3.43Å; A744-K746 PolarHBondContact O-N 3.41Å; K746-I748 VanDerWaalsContact C-N 3.32Å; K746-I748 PolarHBondContact O-N 2.85Å; K746-A749 PolarHBondContact O-N 2.86Å; K746-E750 WeakPolarHBondContact O-CG 3.44Å; K746-E750 PolarHBondContact O-N 3.46Å; K746-N790 PolarHBondContact N-OD1 2.97Å
747K87.2Confident81.8Confident120 Ų12049.6 Ų49.652%0.52224%0.242SC..Hα-helixtrans-61.4-38.6175.6-76.2178.6178.2-179.30112.5I721 K743 A744 A745 A751I721-K747 HydrophobicContact CD1-CB 3.99Å; K743-K747 WeakPolarHBondContact O-CG 3.43Å; K743-K747 PolarHBondContact O-N 3.39Å; A744-K747 PolarHBondContact O-N 3.48Å; A745-K747 PolarHBondContact O-N 2.92Å; K747-A751 WeakPolarHBondContact O-CB 3.24Å; K747-A751 PolarHBondContact O-N 2.94Å
748I89.6Confident81.5Confident0 Ų049.7 Ų49.70%024%0.242CC..Hα-helixtrans-65-44.4173.9-72.3170.5000110.6M718 I721 M722 M725 A744 A745 K746 E750 A751 G752 L789 L824M718-I748 HydrophobicContact CE-CG2 4.02Å; I721-I748 HydrophobicContact CB-CD1 3.93Å; I721-I748 HydrophobicContact CB-CG1 3.74Å; I721-I748 HydrophobicContact CD1-CG1 4.25Å; I721-I748 HydrophobicContact CG2-CD1 3.63Å; I721-I748 HydrophobicContact CG2-CG1 3.6Å; M722-I748 HydrophobicContact CG-CD1 3.61Å; M725-I748 HydrophobicContact SD-CD1 3.48Å; M725-I748 WeakPolarHBondContact SD-CD1 3.33Å; A744-I748 WeakPolarHBondContact O-CG1 3.35Å; A744-I748 PolarHBondContact O-N 2.86Å; A745-I748 PolarHBondContact O-N 3.05Å; K746-I748 VanDerWaalsContact C-N 3.32Å; K746-I748 PolarHBondContact O-N 2.85Å; I748-E750 VanDerWaalsContact C-N 3.34Å; I748-E750 PolarHBondContact O-N 3.38Å; I748-A751 PolarHBondContact O-N 3.3Å; I748-G752 PolarHBondContact O-N 2.93Å; I748-L789 HydrophobicContact CB-CD2 4.34Å; I748-L789 HydrophobicContact CD1-CD2 3.51Å; I748-L789 HydrophobicContact CG2-CD2 3.98Å; I748-L824 HydrophobicContact CG2-CD2 3.43Å; I748-L824 VanDerWaalsContact CG2-CD2 3.43Å
749A79.1Confident81.5Confident18 Ų1848.4 Ų48.415%0.14924%0.235CC..Hα-helixtrans-64-38.6178.700000112.3A745 K746 G752 T753 C786 N790A745-A749 PolarHBondContact O-N 3.19Å; K746-A749 PolarHBondContact O-N 2.86Å; A749-G752 PolarHBondContact O-N 3.34Å; A749-T753 WeakPolarHBondContact O-CB 3.42Å; A749-T753 PolarHBondContact O-N 3.5Å; A749-T753 PolarHBondContact O-OG1 3.45Å; A749-C786 HydrophobicContact CB-CB 4.41Å; A749-N790 VanDerWaalsContact CB-ND2 3.29Å; A749-N790 WeakPolarHBondContact CB-ND2 3.35Å
750E81.8Confident81.6Confident114 Ų11450.9 Ų50.953%0.53324%0.24SC..Hα-helixtrans-62.7-45172-73.3173.4-163.200111.9K746 I748 T753 K754K746-E750 WeakPolarHBondContact O-CG 3.44Å; K746-E750 PolarHBondContact O-N 3.46Å; I748-E750 VanDerWaalsContact C-N 3.34Å; I748-E750 PolarHBondContact O-N 3.38Å; E750-T753 PolarHBondContact O-N 2.85Å; E750-K754 WeakPolarHBondContact O-CG 3.26Å; E750-K754 PolarHBondContact O-N 3.36Å
751A84.5Confident81.1Confident3 Ų351.7 Ų51.73%0.02525%0.249CC..Hα-helixtrans-65.3-41.2176.600000112.1L714 M718 K747 I748 T753 K754 M755L714-A751 HydrophobicContact CD2-CB 4.01Å; M718-A751 HydrophobicContact CG-CB 3.56Å; M718-A751 HydrophobicContact SD-CB 4.1Å; K747-A751 WeakPolarHBondContact O-CB 3.24Å; K747-A751 PolarHBondContact O-N 2.94Å; I748-A751 PolarHBondContact O-N 3.3Å; A751-T753 VanDerWaalsContact C-N 3.35Å; A751-T753 PolarHBondContact O-N 3.15Å; A751-K754 PolarHBondContact O-N 3.33Å; A751-M755 WeakPolarHBondContact O-CB 3.32Å; A751-M755 PolarHBondContact O-N 3.31Å
752G82.9Confident80.7Confident3 Ų352.1 Ų52.13%0.03125%0.251CS..Hα-helixtrans-62.3-39.7174.300000112.2I748 A749 M755 D756I748-G752 PolarHBondContact O-N 2.93Å; A749-G752 PolarHBondContact O-N 3.34Å; G752-M755 PolarHBondContact O-N 3.01Å; G752-D756 WeakPolarHBondContact O-CB 3.32Å; G752-D756 PolarHBondContact O-N 3.5Å
753T74.9Confident80.5Confident75 Ų7550 Ų5046%0.4624%0.24SC..Hα-helixtrans-66.8-38.7174.9-55.60000111.8A749 E750 A751 D756 K757A749-T753 WeakPolarHBondContact O-CB 3.42Å; A749-T753 PolarHBondContact O-N 3.5Å; A749-T753 PolarHBondContact O-OG1 3.45Å; E750-T753 PolarHBondContact O-N 2.85Å; A751-T753 VanDerWaalsContact C-N 3.35Å; A751-T753 PolarHBondContact O-N 3.15Å; T753-D756 PolarHBondContact O-N 3.05Å; T753-K757 WeakPolarHBondContact O-CG 3.38Å; T753-K757 PolarHBondContact O-N 3.01Å; T753-K757 VanDerWaalsContact O-N 3.11Å
754K76.3Confident80Confident123 Ų12349.3 Ų49.354%0.53524%0.242SC..Hα-helixtrans-66.2-40.4173.4-71174.4-175.9176.50111.5L714 E750 A751 K757 L758L714-K754 HydrophobicContact CD1-CB 3.82Å; L714-K754 HydrophobicContact CD2-CB 4.16Å; L714-K754 HydrophobicContact CD2-CD 4.36Å; E750-K754 WeakPolarHBondContact O-CG 3.26Å; E750-K754 PolarHBondContact O-N 3.36Å; A751-K754 PolarHBondContact O-N 3.33Å; K754-K757 PolarHBondContact O-N 3.36Å; K754-L758 WeakPolarHBondContact O-CG 3.47Å; K754-L758 PolarHBondContact O-N 3.41Å; K754-L758 VanDerWaalsContact O-N 3.13Å
755M85.6Confident79.1Confident0 Ų052.9 Ų52.90%026%0.26CS..Hα-helixtrans-65.4-39.1175.6-171.5177.8-69.100111.5L714 A715 M718 A751 G752 L758 G759 I782 V828 T831L714-M755 HydrophobicContact CB-CE 3.66Å; L714-M755 HydrophobicContact CD1-CB 4.15Å; A715-M755 HydrophobicContact CB-CE 3.95Å; M718-M755 HydrophobicContact SD-CE 3.76Å; M718-M755 HydrophobicContact SD-SD 4.35Å; A751-M755 WeakPolarHBondContact O-CB 3.32Å; A751-M755 PolarHBondContact O-N 3.31Å; G752-M755 PolarHBondContact O-N 3.01Å; M755-L758 PolarHBondContact O-N 3.39Å; M755-G759 PolarHBondContact O-N 3.26Å; M755-I782 HydrophobicContact CG-CD1 4.47Å; M755-I782 HydrophobicContact SD-CD1 3.64Å; M755-V828 HydrophobicContact CE-CG1 4.15Å; M755-V828 HydrophobicContact SD-CG1 4.36Å; M755-V828 HydrophobicContact SD-CG2 4.44Å; M755-T831 HydrophobicContact CG-CG2 4.32Å; M755-T831 HydrophobicContact SD-CG2 4.11Å
756D73.9Confident78.7Confident29 Ų2953.3 Ų53.316%0.15526%0.263CS..Hα-helixtrans-57.8-49.5172.9-179.986.2000111.5G752 T753 L758 G759 R760G752-D756 WeakPolarHBondContact O-CB 3.32Å; G752-D756 PolarHBondContact O-N 3.5Å; T753-D756 PolarHBondContact O-N 3.05Å; D756-L758 PolarHBondContact O-N 3.44Å; D756-G759 PolarHBondContact O-N 3.23Å; D756-R760 VanDerWaalsContact CG-NE 3.3Å; D756-R760 WeakPolarHBondContact O-CB 3.47Å; D756-R760 WeakPolarHBondContact O-CG 3.4Å; D756-R760 PolarHBondContact O-N 2.8Å; D756-R760 IonicContact OD1-CZ 3.33Å; D756-R760 IonicContact OD1-NE 2.76Å; D756-R760 PolarHBondContact OD1-NE 2.88Å; D756-R760 IonicContact OD1-NH2 3.84Å; D756-R760 PolarHBondContact OD1-NH2 2.92Å; D756-R760 VanDerWaalsContact OD1-NH2 3.1Å; D756-R760 WeakPolarHBondContact OD2-CD 3.35Å; D756-R760 IonicContact OD2-CZ 2.94Å; D756-R760 IonicContact OD2-NE 3.79Å; D756-R760 PolarHBondContact OD2-NE 2.72Å; D756-R760 IonicContact OD2-NH2 3.19Å
757K73.6Confident78.2Confident139 Ų13951.5 Ų51.560%0.60426%0.263SS*.Hα-helixtrans-59-44.1177.7-71.5176.7-178.7-177.60112.9T753 K754 S761T753-K757 WeakPolarHBondContact O-CG 3.38Å; T753-K757 PolarHBondContact O-N 3.01Å; T753-K757 VanDerWaalsContact O-N 3.11Å; K754-K757 PolarHBondContact O-N 3.36Å; K757-S761 PolarHBondContact O-N 3.16Å; K757-S761 VanDerWaalsContact O-N 3.14Å; K757-S761 PolarHBondContact O-OG 3.45Å
758L76.1Confident77.8Confident30 Ų3048.9 Ų48.916%0.15726%0.255CS..Hα-helixtrans-68-45177.6-70.6171.1000111.6D710 I711 L714 K754 M755 D756 R760 S761 I762 A855D710-L758 HydrophobicContact CB-CD1 3.56Å; I711-L758 HydrophobicContact CD1-CB 4.15Å; I711-L758 HydrophobicContact CG1-CB 3.94Å; I711-L758 HydrophobicContact CG1-CD1 4.09Å; L714-L758 HydrophobicContact CD1-CD1 3.81Å; K754-L758 WeakPolarHBondContact O-CG 3.47Å; K754-L758 PolarHBondContact O-N 3.41Å; K754-L758 VanDerWaalsContact O-N 3.13Å; M755-L758 PolarHBondContact O-N 3.39Å; D756-L758 PolarHBondContact O-N 3.44Å; L758-R760 PolarHBondContact O-N 3.43Å; L758-S761 WeakPolarHBondContact O-CB 3.46Å; L758-S761 PolarHBondContact O-N 3.03Å; L758-I762 WeakPolarHBondContact O-CG1 3.37Å; L758-I762 PolarHBondContact O-N 3.07Å; L758-A855 HydrophobicContact CD2-CB 4.11Å
759G78.6Confident77.2Confident0 Ų052.6 Ų52.60%028%0.28CS..Hα-helixtrans-61.8-42.6178.300000112.5M755 D756 I762 A763M755-G759 PolarHBondContact O-N 3.26Å; D756-G759 PolarHBondContact O-N 3.23Å; G759-I762 PolarHBondContact O-N 2.82Å; G759-A763 WeakPolarHBondContact O-CB 3.26Å; G759-A763 PolarHBondContact O-N 2.95Å
760R79.1Confident77.2Confident78 Ų7855 Ų5529%0.29430%0.297SS..Hα-helixtrans-63.9-40.3174.6-71.9-176.9-168-97.1-5.8112.2D292 D756 L758 I762 A763 D764 L776 L779D292-R760 IonicContact OD2-NH1 3.6Å; D292-R760 PolarHBondContact OD2-NH1 3.18Å; D756-R760 VanDerWaalsContact CG-NE 3.3Å; D756-R760 WeakPolarHBondContact O-CB 3.47Å; D756-R760 WeakPolarHBondContact O-CG 3.4Å; D756-R760 PolarHBondContact O-N 2.8Å; D756-R760 IonicContact OD1-CZ 3.33Å; D756-R760 IonicContact OD1-NE 2.76Å; D756-R760 PolarHBondContact OD1-NE 2.88Å; D756-R760 IonicContact OD1-NH2 3.84Å; D756-R760 PolarHBondContact OD1-NH2 2.92Å; D756-R760 VanDerWaalsContact OD1-NH2 3.1Å; D756-R760 WeakPolarHBondContact OD2-CD 3.35Å; D756-R760 IonicContact OD2-CZ 2.94Å; D756-R760 IonicContact OD2-NE 3.79Å; D756-R760 PolarHBondContact OD2-NE 2.72Å; D756-R760 IonicContact OD2-NH2 3.19Å; L758-R760 PolarHBondContact O-N 3.43Å; R760-I762 VanDerWaalsContact C-N 3.27Å; R760-I762 PolarHBondContact O-N 3.15Å; R760-A763 WeakPolarHBondContact O-CB 3.38Å; R760-A763 PolarHBondContact O-N 3.36Å; R760-A763 VanDerWaalsContact O-N 3.15Å; R760-D764 WeakPolarHBondContact O-CB 3.49Å; R760-D764 PolarHBondContact O-N 3.37Å; R760-L776 HydrophobicContact CG-CD2 4.06Å; R760-L779 HydrophobicContact CG-CD1 4.12Å
761S74.6Confident77Confident60 Ų6050.1 Ų50.142%0.4228%0.275SS..Hα-helixtrans-60.4-38.1175.1-56.60000111.9K757 L758 L765K757-S761 PolarHBondContact O-N 3.16Å; K757-S761 VanDerWaalsContact O-N 3.14Å; K757-S761 PolarHBondContact O-OG 3.45Å; L758-S761 WeakPolarHBondContact O-CB 3.46Å; L758-S761 PolarHBondContact O-N 3.03Å; S761-L765 VanDerWaalsContact O-CG 3.31Å; S761-L765 WeakPolarHBondContact O-CG 3.17Å; S761-L765 PolarHBondContact O-N 3.06Å
762I76.3Confident76.8Confident13 Ų1352.8 Ų52.87%0.06729%0.286CS..Hα-helixtrans-70.7-42.3174.3-64.5166.8000111.1I711 L758 G759 R760 D764 L765 C766 L775 A838 S839 V856I711-I762 HydrophobicContact CD1-CD1 3.3Å; L758-I762 WeakPolarHBondContact O-CG1 3.37Å; L758-I762 PolarHBondContact O-N 3.07Å; G759-I762 PolarHBondContact O-N 2.82Å; R760-I762 VanDerWaalsContact C-N 3.27Å; R760-I762 PolarHBondContact O-N 3.15Å; I762-D764 VanDerWaalsContact C-N 3.3Å; I762-D764 PolarHBondContact O-N 3.44Å; I762-L765 PolarHBondContact O-N 2.66Å; I762-C766 PolarHBondContact O-N 2.67Å; I762-L775 HydrophobicContact CB-CD2 4.28Å; I762-L775 HydrophobicContact CG2-CD2 4.02Å; I762-A838 HydrophobicContact CG2-CB 3.67Å; I762-S839 WeakPolarHBondContact CG2-OG 3.26Å; I762-V856 HydrophobicContact CD1-CG2 3.53Å; I762-V856 HydrophobicContact CG1-CG2 4.18Å
763A77.4Confident76.6Confident0 Ų058.9 Ų58.90%031%0.313CS..Hα-helixtrans-61.7-38.1178.500000111.9G759 R760 L765 C766 K772 L775 L776G759-A763 WeakPolarHBondContact O-CB 3.26Å; G759-A763 PolarHBondContact O-N 2.95Å; R760-A763 WeakPolarHBondContact O-CB 3.38Å; R760-A763 PolarHBondContact O-N 3.36Å; R760-A763 VanDerWaalsContact O-N 3.15Å; A763-L765 VanDerWaalsContact C-N 3.31Å; A763-L765 PolarHBondContact O-N 3.35Å; A763-C766 WeakPolarHBondContact O-CB 3.43Å; A763-C766 PolarHBondContact O-N 2.95Å; A763-K772 HydrophobicContact CB-CG 4.14Å; A763-K772 VanDerWaalsContact O-CD 3.25Å; A763-K772 WeakPolarHBondContact O-CD 3.38Å; A763-K772 WeakPolarHBondContact O-CE 3.23Å; A763-K772 WeakPolarHBondContact O-CG 3.42Å; A763-L775 HydrophobicContact CB-CD2 3.93Å; A763-L775 HydrophobicContact CB-CG 4.34Å; A763-L776 HydrophobicContact CB-CD2 3.9Å; A763-L776 HydrophobicContact CB-CG 4.08Å
764D73.3Confident76.9Confident110 Ų11059.1 Ų59.159%0.58831%0.312SS*.Hα-helixtrans-69.4-29.2177.4-74.1-24.2000113R760 I762 K772R760-D764 WeakPolarHBondContact O-CB 3.49Å; R760-D764 PolarHBondContact O-N 3.37Å; I762-D764 VanDerWaalsContact C-N 3.3Å; I762-D764 PolarHBondContact O-N 3.44Å; D764-K772 IonicContact OD1-NZ 3.62Å; D764-K772 PolarHBondContact OD1-NZ 3.44Å
765L70.4Confident77.3Confident80 Ų8053.3 Ų53.342%0.41929%0.286SS..Hα-helixtrans-85.1-9.5174-64.4172.9000112.8S761 I762 A763 P767 Y842S761-L765 VanDerWaalsContact O-CG 3.31Å; S761-L765 WeakPolarHBondContact O-CG 3.17Å; S761-L765 PolarHBondContact O-N 3.06Å; I762-L765 PolarHBondContact O-N 2.66Å; A763-L765 VanDerWaalsContact C-N 3.31Å; A763-L765 PolarHBondContact O-N 3.35Å; L765-P767 WeakPolarHBondContact O-CD 3.1Å; L765-Y842 HydrophobicContact CB-CD2 3.84Å; L765-Y842 HydrophobicContact CB-CE2 4.02Å; L765-Y842 HydrophobicContact CB-CG 4.33Å; L765-Y842 HydrophobicContact CD2-CE2 3.97Å; L765-Y842 HydrophobicContact CG-CE2 4.41Å; L765-Y842 VanDerWaalsContact O-CD2 3.23Å; L765-Y842 WeakPolarHBondContact O-CD2 3.38Å
766C75.6Confident76.9Confident9 Ų955.3 Ų55.36%0.06130%0.297CS..  trans-79.7118.5-178.8-165.60000110.9I762 A763 D768 K772 A838I762-C766 PolarHBondContact O-N 2.67Å; A763-C766 WeakPolarHBondContact O-CB 3.43Å; A763-C766 PolarHBondContact O-N 2.95Å; C766-D768 VanDerWaalsContact C-N 3.32Å; C766-K772 HydrophobicContact CB-CB 4.36Å; C766-A838 HydrophobicContact CB-CB 4.15Å
767P70.7Confident77.2Confident78 Ų7856 Ų5651%0.50631%0.307SS..  trans-78.1-17.6179.331.6-35000113.1L765L765-P767 WeakPolarHBondContact O-CD 3.1Å
768D80.6Confident77.9Confident65 Ų6552.7 Ų52.735%0.34829%0.291SS..  trans-88.3112.3-179.1-178.554.6000110.5C766 S770 C771 K772C766-D768 VanDerWaalsContact C-N 3.32Å; D768-S770 VanDerWaalsContact C-N 3.29Å; D768-S770 PolarHBondContact O-N 3.4Å; D768-C771 HydrophobicContact CB-CB 4.21Å; D768-C771 PolarHBondContact O-N 3.3Å; D768-C771 WeakPolarHBondContact OD2-CB 3.46Å; D768-C771 PolarHBondContact OD2-N 2.88Å; D768-K772 WeakPolarHBondContact O-CB 2.87Å; D768-K772 PolarHBondContact O-N 3.4Å
769S76.1Confident78Confident77 Ų7751.3 Ų51.354%0.53828%0.284SS..Hα-helixtrans-61-37.3-174.9-169.60000112.5K772 Q773S769-K772 PolarHBondContact O-N 2.64Å; S769-Q773 WeakPolarHBondContact O-CG 3.35Å; S769-Q773 PolarHBondContact O-N 2.7Å
770S78.5Confident78Confident70 Ų7055.3 Ų55.349%0.4930%0.302SS..Hα-helixtrans-66-53.9180-175.20000111.5D768 K772 Q773 D774D768-S770 VanDerWaalsContact C-N 3.29Å; D768-S770 PolarHBondContact O-N 3.4Å; S770-K772 VanDerWaalsContact C-N 3.25Å; S770-K772 PolarHBondContact O-N 2.8Å; S770-Q773 PolarHBondContact O-N 2.84Å; S770-Q773 VanDerWaalsContact O-N 3.12Å; S770-D774 PolarHBondContact O-N 2.96Å
771C78.4Confident78.4Confident10 Ų1055.9 Ų55.97%0.06830%0.304CS..Hα-helixtrans-61.1-33.8177-173.10000113D768 L775 V837 A838D768-C771 HydrophobicContact CB-CB 4.21Å; D768-C771 PolarHBondContact O-N 3.3Å; D768-C771 WeakPolarHBondContact OD2-CB 3.46Å; D768-C771 PolarHBondContact OD2-N 2.88Å; C771-L775 WeakPolarHBondContact O-CB 3.49Å; C771-L775 PolarHBondContact O-N 2.84Å; C771-L775 VanDerWaalsContact O-N 3.16Å; C771-V837 VanDerWaalsContact SG-CG1 3.59Å; C771-A838 VanDerWaalsContact SG-CA 3.59Å; C771-A838 PolarHBondContact SG-N 2.88Å; C771-A838 VanDerWaalsContact SG-N 3.44Å
772K80.1Confident78.8Confident60 Ų6053.1 Ų53.126%0.26129%0.285SS..Hα-helixtrans-63.1-47.7173.7-179.9175.6-175164.20111.6A763 D764 C766 D768 S769 S770 L775 L776A763-K772 HydrophobicContact CB-CG 4.14Å; A763-K772 VanDerWaalsContact O-CD 3.25Å; A763-K772 WeakPolarHBondContact O-CD 3.38Å; A763-K772 WeakPolarHBondContact O-CE 3.23Å; A763-K772 WeakPolarHBondContact O-CG 3.42Å; D764-K772 IonicContact OD1-NZ 3.62Å; D764-K772 PolarHBondContact OD1-NZ 3.44Å; C766-K772 HydrophobicContact CB-CB 4.36Å; D768-K772 WeakPolarHBondContact O-CB 2.87Å; D768-K772 PolarHBondContact O-N 3.4Å; S769-K772 PolarHBondContact O-N 2.64Å; S770-K772 VanDerWaalsContact C-N 3.25Å; S770-K772 PolarHBondContact O-N 2.8Å; K772-L775 PolarHBondContact O-N 3.5Å; K772-L776 HydrophobicContact CG-CD1 4.06Å; K772-L776 WeakPolarHBondContact O-CG 3.16Å; K772-L776 PolarHBondContact O-N 3.5Å
773Q79.1Confident78.9Confident131 Ų13155.2 Ų55.261%0.61230%0.304SS*.Hα-helixtrans-63.4-43.2-179.7-76.9-175-16.300111.9S769 S770 L775 L776 A777S769-Q773 WeakPolarHBondContact O-CG 3.35Å; S769-Q773 PolarHBondContact O-N 2.7Å; S770-Q773 PolarHBondContact O-N 2.84Å; S770-Q773 VanDerWaalsContact O-N 3.12Å; Q773-L775 PolarHBondContact O-N 3.35Å; Q773-L776 PolarHBondContact O-N 3.03Å; Q773-A777 WeakPolarHBondContact O-CB 3.41Å; Q773-A777 PolarHBondContact O-N 2.95Å
774D81.7Confident79Confident80 Ų8057.7 Ų57.743%0.42832%0.317SS..Hα-helixtrans-58.7-47.9175.7-75.5-14.4000111.7S770 L776 A777 Y778S770-D774 PolarHBondContact O-N 2.96Å; D774-L776 PolarHBondContact O-N 3.4Å; D774-A777 PolarHBondContact O-N 3.07Å; D774-Y778 HydrophobicContact CB-CE2 4.2Å; D774-Y778 WeakPolarHBondContact O-CD2 3.3Å; D774-Y778 PolarHBondContact O-N 3.41Å; D774-Y778 VanDerWaalsContact O-N 3.1Å
775L84.6Confident79.8Confident0 Ų053.9 Ų53.90%030%0.295CS..Hα-helixtrans-60.6-46.2178.717854.7000111.5I762 A763 C771 K772 Q773 A777 Y778 L779 T831 A834 S835 A838I762-L775 HydrophobicContact CB-CD2 4.28Å; I762-L775 HydrophobicContact CG2-CD2 4.02Å; A763-L775 HydrophobicContact CB-CD2 3.93Å; A763-L775 HydrophobicContact CB-CG 4.34Å; C771-L775 WeakPolarHBondContact O-CB 3.49Å; C771-L775 PolarHBondContact O-N 2.84Å; C771-L775 VanDerWaalsContact O-N 3.16Å; K772-L775 PolarHBondContact O-N 3.5Å; Q773-L775 PolarHBondContact O-N 3.35Å; L775-A777 VanDerWaalsContact C-N 3.34Å; L775-A777 PolarHBondContact O-N 2.55Å; L775-Y778 PolarHBondContact O-N 2.91Å; L775-L779 HydrophobicContact CD1-CD1 4.21Å; L775-L779 HydrophobicContact CD1-CG 4.3Å; L775-L779 HydrophobicContact CG-CD1 4.11Å; L775-L779 VanDerWaalsContact O-CG 3.25Å; L775-L779 WeakPolarHBondContact O-CG 3.37Å; L775-L779 PolarHBondContact O-N 3.49Å; L775-L779 VanDerWaalsContact O-N 3.08Å; L775-T831 HydrophobicContact CD1-CG2 4.23Å; L775-A834 HydrophobicContact CB-CB 4.14Å; L775-A834 HydrophobicContact CD1-CB 3.97Å; L775-S835 WeakPolarHBondContact CD1-OG 3.35Å; L775-A838 HydrophobicContact CD2-CB 3.85Å
776L76.2Confident80.3Confident43 Ų4350.5 Ų50.523%0.22528%0.278CS..Hα-helixtrans-63.3-38.7178.4-69.5173.8000112.5R760 A763 K772 Q773 D774 L779 Q780R760-L776 HydrophobicContact CG-CD2 4.06Å; A763-L776 HydrophobicContact CB-CD2 3.9Å; A763-L776 HydrophobicContact CB-CG 4.08Å; K772-L776 HydrophobicContact CG-CD1 4.06Å; K772-L776 WeakPolarHBondContact O-CG 3.16Å; K772-L776 PolarHBondContact O-N 3.5Å; Q773-L776 PolarHBondContact O-N 3.03Å; D774-L776 PolarHBondContact O-N 3.4Å; L776-L779 HydrophobicContact CD2-CD1 4.31Å; L776-L779 PolarHBondContact O-N 2.97Å; L776-Q780 WeakPolarHBondContact O-CG 3.37Å; L776-Q780 PolarHBondContact O-N 2.9Å
777A80.9Confident80.5Confident43 Ų4354.9 Ų54.936%0.35530%0.297SS..Hα-helixtrans-62.7-42.1176.300000111.9Q773 D774 L775 Q780 R781Q773-A777 WeakPolarHBondContact O-CB 3.41Å; Q773-A777 PolarHBondContact O-N 2.95Å; D774-A777 PolarHBondContact O-N 3.07Å; L775-A777 VanDerWaalsContact C-N 3.34Å; L775-A777 PolarHBondContact O-N 2.55Å; A777-Q780 PolarHBondContact O-N 3.29Å; A777-R781 WeakPolarHBondContact O-CG 3.44Å; A777-R781 PolarHBondContact O-N 2.94Å; A777-R781 VanDerWaalsContact O-N 3.09Å
778Y87.8Confident80.9Confident69 Ų6954.5 Ų54.527%0.27129%0.289SS..Hα-helixtrans-68.1-34.3176.1-61.5-54000112.9D774 L775 R781 I782 S830 T831 A834D774-Y778 HydrophobicContact CB-CE2 4.2Å; D774-Y778 WeakPolarHBondContact O-CD2 3.3Å; D774-Y778 PolarHBondContact O-N 3.41Å; D774-Y778 VanDerWaalsContact O-N 3.1Å; L775-Y778 PolarHBondContact O-N 2.91Å; Y778-R781 WeakPolarHBondContact O-CB 3.45Å; Y778-R781 PolarHBondContact O-N 2.79Å; Y778-I782 PolarHBondContact O-N 3.47Å; Y778-S830 VanDerWaalsContact CD1-CB 3.45Å; Y778-T831 VanDerWaalsContact CB-OG1 3.24Å; Y778-T831 WeakPolarHBondContact CB-OG1 3.3Å; Y778-A834 HydrophobicContact CD2-CB 3.91Å; Y778-A834 HydrophobicContact CE2-CB 4.21Å
779L78.4Confident81Confident1 Ų151.5 Ų51.51%0.00527%0.273CS..Hα-helixtrans-65.7-39.2174.4-63165.5000111.6R760 L775 L776 R781 I782 A783 T831R760-L779 HydrophobicContact CG-CD1 4.12Å; L775-L779 HydrophobicContact CD1-CD1 4.21Å; L775-L779 HydrophobicContact CD1-CG 4.3Å; L775-L779 HydrophobicContact CG-CD1 4.11Å; L775-L779 VanDerWaalsContact O-CG 3.25Å; L775-L779 WeakPolarHBondContact O-CG 3.37Å; L775-L779 PolarHBondContact O-N 3.49Å; L775-L779 VanDerWaalsContact O-N 3.08Å; L776-L779 HydrophobicContact CD2-CD1 4.31Å; L776-L779 PolarHBondContact O-N 2.97Å; L779-R781 VanDerWaalsContact C-N 3.32Å; L779-R781 PolarHBondContact O-N 2.83Å; L779-I782 WeakPolarHBondContact O-CB 3.2Å; L779-I782 PolarHBondContact O-N 3.26Å; L779-A783 PolarHBondContact O-N 3.46Å; L779-T831 HydrophobicContact CD2-CG2 3.55Å; L779-T831 HydrophobicContact CG-CG2 4.42Å
780Q79.3Confident81.1Confident85 Ų8549.1 Ų49.140%0.39725%0.254SS..Hα-helixtrans-61.9-39171.8-72175.1-11.300112.1L776 A777 A783 L784L776-Q780 WeakPolarHBondContact O-CG 3.37Å; L776-Q780 PolarHBondContact O-N 2.9Å; A777-Q780 PolarHBondContact O-N 3.29Å; Q780-A783 WeakPolarHBondContact O-CB 3.31Å; Q780-A783 PolarHBondContact O-N 3.44Å; Q780-L784 PolarHBondContact O-N 3.49Å
781R86.1Confident81Confident89 Ų8949.9 Ų49.934%0.33625%0.252SS..Hα-helixtrans-64.6-39.2173.8-69176.270.5-1790.1112.3A777 Y778 L779 A783 L784 Y785 A827A777-R781 WeakPolarHBondContact O-CG 3.44Å; A777-R781 PolarHBondContact O-N 2.94Å; A777-R781 VanDerWaalsContact O-N 3.09Å; Y778-R781 WeakPolarHBondContact O-CB 3.45Å; Y778-R781 PolarHBondContact O-N 2.79Å; L779-R781 VanDerWaalsContact C-N 3.32Å; L779-R781 PolarHBondContact O-N 2.83Å; R781-A783 VanDerWaalsContact C-N 3.32Å; R781-A783 PolarHBondContact O-N 3.36Å; R781-L784 PolarHBondContact O-N 3.27Å; R781-Y785 HydrophobicContact CB-CD2 4.31Å; R781-Y785 HydrophobicContact CB-CE2 3.99Å; R781-Y785 WeakPolarHBondContact O-CD2 3.15Å; R781-Y785 PolarHBondContact O-N 3.27Å; R781-A827 HydrophobicContact CB-CB 3.98Å
782I83.7Confident80.9Confident2 Ų250.4 Ų50.41%0.0126%0.255CS..Hα-helixtrans-59.1-45.6172.6-71.7178.2000110.4M718 M755 Y778 L779 Y785 C786 L824 A827 V828 T831M718-I782 HydrophobicContact CE-CG2 4.35Å; M755-I782 HydrophobicContact CG-CD1 4.47Å; M755-I782 HydrophobicContact SD-CD1 3.64Å; Y778-I782 PolarHBondContact O-N 3.47Å; L779-I782 WeakPolarHBondContact O-CB 3.2Å; L779-I782 PolarHBondContact O-N 3.26Å; I782-Y785 PolarHBondContact O-N 3.43Å; I782-C786 VanDerWaalsContact O-CB 3.28Å; I782-C786 WeakPolarHBondContact O-CB 3.3Å; I782-C786 PolarHBondContact O-N 3.28Å; I782-C786 PolarHBondContact O-SG 3.07Å; I782-L824 HydrophobicContact CB-CD1 4.32Å; I782-L824 HydrophobicContact CG1-CD1 4.32Å; I782-L824 HydrophobicContact CG2-CD1 4.09Å; I782-A827 HydrophobicContact CG1-CB 3.83Å; I782-V828 HydrophobicContact CD1-CG2 4.07Å; I782-V828 HydrophobicContact CG1-CG2 4.28Å; I782-T831 HydrophobicContact CD1-CG2 3.93Å; I782-T831 VanDerWaalsContact CD1-OG1 3.26Å; I782-T831 WeakPolarHBondContact CD1-OG1 3.41Å
783A77.7Confident80.7Confident57 Ų5747.6 Ų47.647%0.47124%0.243SC..Hα-helixtrans-61.5-46.6178.400000112.1L779 Q780 R781 H787L779-A783 PolarHBondContact O-N 3.46Å; Q780-A783 WeakPolarHBondContact O-CB 3.31Å; Q780-A783 PolarHBondContact O-N 3.44Å; R781-A783 VanDerWaalsContact C-N 3.32Å; R781-A783 PolarHBondContact O-N 3.36Å; A783-H787 WeakPolarHBondContact O-CB 3.15Å; A783-H787 PolarHBondContact O-N 2.97Å
784L80.7Confident80.4Confident53 Ų5347.6 Ų47.628%0.27724%0.241SC..Hα-helixtrans-56.3-52.8175.517565.4000111.6I290 Q780 R781 H787 Q788I290-L784 HydrophobicContact CD1-CD1 3.89Å; Q780-L784 PolarHBondContact O-N 3.49Å; R781-L784 PolarHBondContact O-N 3.27Å; L784-H787 WeakPolarHBondContact O-CB 3.06Å; L784-H787 PolarHBondContact O-N 3.36Å; L784-Q788 HydrophobicContact CD1-CG 4.43Å; L784-Q788 WeakPolarHBondContact O-CG 3.32Å; L784-Q788 PolarHBondContact O-N 3.04Å
785Y88.4Confident79.5Confident30 Ų3046.1 Ų46.112%0.11824%0.235CC..Hα-helixtrans-75.8-28-174.2-58.4-46.2000113R781 I782 H787 L789 N823 A827R781-Y785 HydrophobicContact CB-CD2 4.31Å; R781-Y785 HydrophobicContact CB-CE2 3.99Å; R781-Y785 WeakPolarHBondContact O-CD2 3.15Å; R781-Y785 PolarHBondContact O-N 3.27Å; I782-Y785 PolarHBondContact O-N 3.43Å; Y785-H787 VanDerWaalsContact C-N 3.29Å; Y785-L789 WeakPolarHBondContact O-CB 3.05Å; Y785-L789 PolarHBondContact O-N 2.97Å; Y785-N823 HydrophobicContact CD1-CB 3.64Å; Y785-N823 VanDerWaalsContact CD2-C 3.44Å; Y785-N823 HydrophobicContact CD2-CB 3.82Å; Y785-N823 WeakPolarHBondContact CD2-O 3.43Å; Y785-N823 HydrophobicContact CE1-CB 3.59Å; Y785-N823 HydrophobicContact CE2-CB 3.76Å; Y785-N823 WeakPolarHBondContact CE2-O 3.44Å; Y785-N823 HydrophobicContact CG-CB 3.77Å; Y785-A827 HydrophobicContact CD2-CB 3.97Å; Y785-A827 HydrophobicContact CE2-CB 4.23Å
786C82.8Confident78.1Confident9 Ų953.6 Ų53.66%0.06127%0.267CS..Hα-helixtrans-63.7-37.9167.3-710000111.4A749 I782 N790A749-C786 HydrophobicContact CB-CB 4.41Å; I782-C786 VanDerWaalsContact O-CB 3.28Å; I782-C786 WeakPolarHBondContact O-CB 3.3Å; I782-C786 PolarHBondContact O-N 3.28Å; I782-C786 PolarHBondContact O-SG 3.07Å; C786-N790 WeakPolarHBondContact O-CB 3.26Å; C786-N790 PolarHBondContact O-N 2.93Å; C786-N790 PolarHBondContact O-ND2 3.17Å
787H78.8Confident76.9Confident100 Ų10052.5 Ų52.546%0.46327%0.265SS..Hα-helixtrans-68.6-48.1176.4-17277.1000111.7A783 L784 Y785 L789 N790 I791A783-H787 WeakPolarHBondContact O-CB 3.15Å; A783-H787 PolarHBondContact O-N 2.97Å; L784-H787 WeakPolarHBondContact O-CB 3.06Å; L784-H787 PolarHBondContact O-N 3.36Å; Y785-H787 VanDerWaalsContact C-N 3.29Å; H787-L789 VanDerWaalsContact C-N 3.33Å; H787-L789 PolarHBondContact O-N 3.4Å; H787-N790 WeakPolarHBondContact O-CB 3.26Å; H787-N790 PolarHBondContact O-N 2.93Å; H787-N790 VanDerWaalsContact O-N 3.14Å; H787-I791 WeakPolarHBondContact NE2-CD1 3.36Å; H787-I791 WeakPolarHBondContact O-CG1 3.23Å; H787-I791 PolarHBondContact O-N 3.14Å
788Q79.1Confident75.1Confident71 Ų7156.5 Ų56.533%0.33228%0.276SS..Hα-helixtrans-56.4-46173.7-72.2-175.7-12.300111.6L784 N790 I791 C792 A820L784-Q788 HydrophobicContact CD1-CG 4.43Å; L784-Q788 WeakPolarHBondContact O-CG 3.32Å; L784-Q788 PolarHBondContact O-N 3.04Å; Q788-N790 VanDerWaalsContact C-N 3.29Å; Q788-N790 PolarHBondContact O-N 3.21Å; Q788-I791 WeakPolarHBondContact O-CB 3.44Å; Q788-I791 PolarHBondContact O-N 3.18Å; Q788-I791 VanDerWaalsContact O-N 3.11Å; Q788-C792 PolarHBondContact O-N 2.9Å; Q788-C792 PolarHBondContact O-SG 3.43Å; Q788-A820 HydrophobicContact CB-CB 4.21Å
789L83.5Confident73.1Confident1 Ų154.2 Ų54.21%0.00527%0.269CS..Hα-helixtrans-62.1-36.1178.4-16673.8000112.4M725 I748 Y785 H787 S793 L817 A820 A821 L824M725-L789 HydrophobicContact CE-CD1 4.08Å; M725-L789 HydrophobicContact CE-CD2 4.08Å; M725-L789 HydrophobicContact CE-CG 3.91Å; M725-L789 HydrophobicContact SD-CD2 4.12Å; I748-L789 HydrophobicContact CB-CD2 4.34Å; I748-L789 HydrophobicContact CD1-CD2 3.51Å; I748-L789 HydrophobicContact CG2-CD2 3.98Å; Y785-L789 WeakPolarHBondContact O-CB 3.05Å; Y785-L789 PolarHBondContact O-N 2.97Å; H787-L789 VanDerWaalsContact C-N 3.33Å; H787-L789 PolarHBondContact O-N 3.4Å; L789-S793 WeakPolarHBondContact O-CB 3.11Å; L789-S793 PolarHBondContact O-N 3.15Å; L789-L817 HydrophobicContact CD1-CD1 3.8Å; L789-L817 HydrophobicContact CD1-CG 4.13Å; L789-L817 WeakPolarHBondContact CD1-O 3.29Å; L789-L817 HydrophobicContact CG-CD1 4.41Å; L789-A820 HydrophobicContact CB-CB 4.29Å; L789-A820 HydrophobicContact CD1-CB 3.96Å; L789-A821 HydrophobicContact CD1-CB 4.02Å; L789-L824 HydrophobicContact CD2-CD2 4.14Å
790N77.8Confident71.3Confident28 Ų2859.1 Ų59.115%0.1529%0.292CS..Hα-helixtrans-65.9-41.6172.9-91-34.2000112.4A745 K746 A749 C786 H787 Q788 S793 K794A745-N790 WeakPolarHBondContact CB-OD1 3.26Å; A745-N790 PolarHBondContact O-OD1 2.95Å; K746-N790 PolarHBondContact N-OD1 2.97Å; A749-N790 VanDerWaalsContact CB-ND2 3.29Å; A749-N790 WeakPolarHBondContact CB-ND2 3.35Å; C786-N790 WeakPolarHBondContact O-CB 3.26Å; C786-N790 PolarHBondContact O-N 2.93Å; C786-N790 PolarHBondContact O-ND2 3.17Å; H787-N790 WeakPolarHBondContact O-CB 3.26Å; H787-N790 PolarHBondContact O-N 2.93Å; H787-N790 VanDerWaalsContact O-N 3.14Å; Q788-N790 VanDerWaalsContact C-N 3.29Å; Q788-N790 PolarHBondContact O-N 3.21Å; N790-S793 PolarHBondContact O-N 3.4Å; N790-S793 PolarHBondContact O-OG 3.35Å; N790-K794 WeakPolarHBondContact O-CG 3.48Å; N790-K794 PolarHBondContact O-N 3.41Å
791I76.9Confident69.4Low86 Ų8659.6 Ų59.644%0.44130%0.297SS..Hα-helixtrans-60.9-54.4174.9-66.4167.2000109.1H787 Q788 S793 K794 V795H787-I791 WeakPolarHBondContact NE2-CD1 3.36Å; H787-I791 WeakPolarHBondContact O-CG1 3.23Å; H787-I791 PolarHBondContact O-N 3.14Å; Q788-I791 WeakPolarHBondContact O-CB 3.44Å; Q788-I791 PolarHBondContact O-N 3.18Å; Q788-I791 VanDerWaalsContact O-N 3.11Å; I791-S793 PolarHBondContact O-N 3.19Å; I791-S793 VanDerWaalsContact O-N 3.17Å; I791-K794 PolarHBondContact O-N 2.81Å; I791-V795 PolarHBondContact O-N 3.29Å
792C75.7Confident67Low20 Ų2060.8 Ų60.814%0.13531%0.31CS..Hα-helixtrans-56.5-35.6179.5-60.40000112.4Q788 K794 S813 L817Q788-C792 PolarHBondContact O-N 2.9Å; Q788-C792 PolarHBondContact O-SG 3.43Å; C792-K794 VanDerWaalsContact C-N 3.34Å; C792-K794 PolarHBondContact O-N 3.4Å; C792-S813 PolarHBondContact O-OG 3.38Å; C792-L817 HydrophobicContact CB-CB 4.25Å; C792-L817 HydrophobicContact CB-CD1 3.7Å
793S75.8Confident64.8Low2 Ų265.3 Ų65.31%0.01436%0.356CS..Hα-helixtrans-70.6-24.217974.90000115I742 A745 L789 N790 I791I742-S793 WeakPolarHBondContact CG1-O 3.49Å; A745-S793 VanDerWaalsContact CB-CB 3.5Å; A745-S793 VanDerWaalsContact CB-OG 3.25Å; A745-S793 WeakPolarHBondContact CB-OG 3.37Å; L789-S793 WeakPolarHBondContact O-CB 3.11Å; L789-S793 PolarHBondContact O-N 3.15Å; N790-S793 PolarHBondContact O-N 3.4Å; N790-S793 PolarHBondContact O-OG 3.35Å; I791-S793 PolarHBondContact O-N 3.19Å; I791-S793 VanDerWaalsContact O-N 3.17Å
794K72.3Confident63Low131 Ų13166.5 Ų66.557%0.5738%0.375SS*.Hα-helixtrans-87.5-17-176.9-72.4174-176.8178.20112.9N790 I791 C792 K796N790-K794 WeakPolarHBondContact O-CG 3.48Å; N790-K794 PolarHBondContact O-N 3.41Å; I791-K794 PolarHBondContact O-N 2.81Å; C792-K794 VanDerWaalsContact C-N 3.34Å; C792-K794 PolarHBondContact O-N 3.4Å; K794-K796 PolarHBondContact O-N 3.16Å
795V63.4Low60.9Low49 Ų4970.4 Ų70.430%0.29739%0.391SS..SBendtrans-68.3116.4174.4-179.40000108.1E635 I791E635-V795 WeakPolarHBondContact OE1-CG1 3.31Å; E635-V795 VanDerWaalsContact OE2-CG1 3.31Å; E635-V795 WeakPolarHBondContact OE2-CG1 3.47Å; I791-V795 PolarHBondContact O-N 3.29Å
796K54.5Low58.8Low157 Ų15771.7 Ų71.768%0.68340%0.4SS*.  trans-82.2126.1-178.7-80.2-175.6177.81790109.3K794 E798K794-K796 PolarHBondContact O-N 3.16Å; K796-E798 PolarHBondContact O-N 3.14Å
797A51.3Low57Low20 Ų2074.5 Ų74.517%0.16542%0.417CS..  trans-65.9112.3163.400000109.1V808A797-V808 HydrophobicContact CB-CG1 4.22Å
798E43.8Very low55.3Low127 Ų12770 Ų7059%0.59340%0.397SS*.  trans-83145.8169-65.2-166.8162.200109.8K796 S809K796-E798 PolarHBondContact O-N 3.14Å; E798-S809 WeakPolarHBondContact CA-OG 3.47Å; E798-S809 WeakPolarHBondContact CB-OG 3.38Å; E798-S809 PolarHBondContact N-OG 3.39Å; E798-S809 PolarHBondContact O-N 2.81Å; E798-S809 PolarHBondContact O-OG 3Å; E798-S809 VanDerWaalsContact O-OG 3.04Å
799V44.6Very low54Low21 Ų2167.2 Ų67.213%0.12738%0.384CS..EExtended strand (participates in β ladder)trans-119.1113.6-177.9178.20000107.6I663 I671 L806 V808I663-V799 HydrophobicContact CB-CG2 4.44Å; I663-V799 HydrophobicContact CG2-CB 3.64Å; I663-V799 HydrophobicContact CG2-CG2 3.55Å; I671-V799 HydrophobicContact CD1-CG2 3.99Å; I671-V799 HydrophobicContact CG2-CG2 3.99Å; V799-L806 HydrophobicContact CG1-CD2 3.24Å; V799-V808 HydrophobicContact CG2-CG1 4.36Å; V799-V808 HydrophobicContact CG2-CG2 4.47Å
800Q42.4Very low52.5Low104 Ų10467.2 Ų67.249%0.48639%0.385SS..EExtended strand (participates in β ladder)trans-103.4130.6174.9-69.6-176.9200109.6L802 V807Q800-L802 HydrophobicContact CB-CD1 3.99Å; Q800-V807 PolarHBondContact N-O 3.5Å; Q800-V807 PolarHBondContact O-N 2.99Å
801N37.9Very low51.5Low95 Ų9566 Ų6651%0.50838%0.379SS..EExtended strand (participates in β ladder)trans-96.3108.5171.5-89.7-23.6000108.3N664 L806N664-N801 PolarHBondContact ND2-ND2 3.48Å; N801-L806 WeakPolarHBondContact OD1-CD2 3.38Å; N801-L806 WeakPolarHBondContact OD1-CG 3.39Å
802L35.7Very low50.5Low114 Ų11463 Ų6360%0.59736%0.364SS*.EExtended strand (participates in β ladder)trans-117.8121.8168.2-85.585.2000108.9Q800 G804 E805Q800-L802 HydrophobicContact CB-CD1 3.99Å; L802-G804 VanDerWaalsContact C-N 3.29Å; L802-G804 PolarHBondContact O-N 3.46Å; L802-E805 PolarHBondContact O-N 3.48Å
803G37.5Very low50.1Low96 Ų9662.9 Ų62.999%0.9936%0.363SS*.THydrogen-bonded Turntrans68.715170.900000117
804G39.6Very low49.7Very low83 Ų8362.9 Ų62.986%0.85636%0.363SS*.THydrogen-bonded Turntrans91.82.6-17900000114.9L802L802-G804 VanDerWaalsContact C-N 3.29Å; L802-G804 PolarHBondContact O-N 3.46Å
805E37.4Very low49.8Very low134 Ų13458.3 Ų58.363%0.62634%0.344SS*.EExtended strand (participates in β ladder)trans-110.4133.9173.2-160.6168.5-171.400110.1L802 V807L802-E805 PolarHBondContact O-N 3.48Å; E805-V807 PolarHBondContact O-N 2.92Å
806L44.5Very low50.5Low57 Ų5758.9 Ų58.930%0.29835%0.35SS..EExtended strand (participates in β ladder)trans-80.9109.3-178.3-89.6151.4000109.6V799 N801V799-L806 HydrophobicContact CG1-CD2 3.24Å; N801-L806 WeakPolarHBondContact OD1-CD2 3.38Å; N801-L806 WeakPolarHBondContact OD1-CG 3.39Å
807V44.4Very low51.9Low69 Ų6951.7 Ų51.742%0.41832%0.319SS..EExtended strand (participates in β ladder)trans-100.2121.7173.3-175.90000108.7Q800 E805Q800-V807 PolarHBondContact N-O 3.5Å; Q800-V807 PolarHBondContact O-N 2.99Å; E805-V807 PolarHBondContact O-N 2.92Å
808V44.4Very low53.4Low6 Ų650.8 Ų50.84%0.03631%0.311CS..EExtended strand (participates in β ladder)trans-109.6118.5-174.7-173.40000108.5I671 L675 A797 V799 G810I671-V808 HydrophobicContact CG2-CB 4.13Å; I671-V808 HydrophobicContact CG2-CG1 3.77Å; I671-V808 HydrophobicContact CG2-CG2 3.18Å; L675-V808 HydrophobicContact CD2-CB 3.7Å; L675-V808 HydrophobicContact CD2-CG1 4.25Å; L675-V808 HydrophobicContact CD2-CG2 3.77Å; A797-V808 HydrophobicContact CB-CG1 4.22Å; V799-V808 HydrophobicContact CG2-CG1 4.36Å; V799-V808 HydrophobicContact CG2-CG2 4.47Å; V808-G810 PolarHBondContact O-N 3.22Å
809S51.2Low55.1Low11 Ų1147.5 Ų47.58%0.07730%0.296CS..SBendtrans-72.710.6179.372.10000114.4T633 E798T633-S809 WeakPolarHBondContact CB-O 3.26Å; T633-S809 WeakPolarHBondContact CG2-O 3.41Å; E798-S809 WeakPolarHBondContact CA-OG 3.47Å; E798-S809 WeakPolarHBondContact CB-OG 3.38Å; E798-S809 PolarHBondContact N-OG 3.39Å; E798-S809 PolarHBondContact O-N 2.81Å; E798-S809 PolarHBondContact O-OG 3Å; E798-S809 VanDerWaalsContact O-OG 3.04Å
810G51Low57Low2 Ų246.7 Ų46.72%0.02129%0.292CS..  trans-96.99.7-165.700000116.8V808 A814V808-G810 PolarHBondContact O-N 3.22Å; G810-A814 VanDerWaalsContact O-CB 3.26Å; G810-A814 WeakPolarHBondContact O-CB 3.36Å; G810-A814 PolarHBondContact O-N 3.25Å
811L57.8Low59.3Low3 Ų341.8 Ų41.82%0.01627%0.269CS..Hα-helixtrans-70-44.6-175.1-170.264.4000112.7T633 Q679 I683 A814 M815T633-L811 HydrophobicContact CG2-CB 3.63Å; Q679-L811 HydrophobicContact CB-CD1 3.93Å; Q679-L811 HydrophobicContact CB-CD2 4.08Å; Q679-L811 HydrophobicContact CG-CD1 4.47Å; Q679-L811 HydrophobicContact CG-CD2 3.79Å; I683-L811 HydrophobicContact CD1-CD1 3.59Å; I683-L811 HydrophobicContact CG1-CD1 3.61Å; L811-A814 CarbonylContact O-C 3.2Å; L811-A814 WeakPolarHBondContact O-CA 3.33Å; L811-A814 WeakPolarHBondContact O-CB 3.37Å; L811-A814 PolarHBondContact O-N 2.87Å; L811-M815 HydrophobicContact CD2-CE 4.42Å; L811-M815 HydrophobicContact CG-CE 4.06Å; L811-M815 HydrophobicContact CG-SD 4.37Å; L811-M815 WeakPolarHBondContact O-CG 3.46Å; L811-M815 PolarHBondContact O-N 3.05Å
812D56Low61.7Low23 Ų2339 Ų3912%0.12325%0.252CS..Hα-helixtrans-73.4-37.1179.7-66.9-60.1000113.4T633 E636 A814 M815 S816T633-D812 WeakPolarHBondContact CB-OD2 3.24Å; T633-D812 WeakPolarHBondContact CG2-OD2 3.41Å; T633-D812 PolarHBondContact OG1-OD2 3.44Å; E636-D812 WeakPolarHBondContact CB-OD2 3.11Å; E636-D812 VanDerWaalsContact CD-CG 3.42Å; E636-D812 VanDerWaalsContact CD-OD1 3.28Å; E636-D812 WeakPolarHBondContact CG-OD1 3.24Å; E636-D812 WeakPolarHBondContact CG-OD2 3.33Å; D812-A814 VanDerWaalsContact C-N 3.25Å; D812-A814 PolarHBondContact O-N 3.39Å; D812-M815 PolarHBondContact O-N 2.95Å; D812-M815 WeakPolarHBondContact OD1-CE 3.48Å; D812-S816 WeakPolarHBondContact O-CB 3.32Å; D812-S816 PolarHBondContact O-N 3.27Å; D812-S816 PolarHBondContact O-OG 2.96Å
813S67.3Low64.2Low17 Ų1735.5 Ų35.512%0.11923%0.234CC..Hα-helixtrans-55.3-45.7166.4176.30000110.2C792 L817C792-S813 PolarHBondContact O-OG 3.38Å; S813-L817 WeakPolarHBondContact O-CB 3.21Å; S813-L817 PolarHBondContact O-N 3.49Å
814A67.9Low66.9Low2 Ų230.9 Ų30.92%0.01719%0.187CC..Hα-helixtrans-66.9-42.5176.300000114M672 T729 G810 L811 D812 L817 I818M672-A814 HydrophobicContact CE-CB 3.61Å; T729-A814 HydrophobicContact CG2-CB 3.52Å; G810-A814 VanDerWaalsContact O-CB 3.26Å; G810-A814 WeakPolarHBondContact O-CB 3.36Å; G810-A814 PolarHBondContact O-N 3.25Å; L811-A814 CarbonylContact O-C 3.2Å; L811-A814 WeakPolarHBondContact O-CA 3.33Å; L811-A814 WeakPolarHBondContact O-CB 3.37Å; L811-A814 PolarHBondContact O-N 2.87Å; D812-A814 VanDerWaalsContact C-N 3.25Å; D812-A814 PolarHBondContact O-N 3.39Å; A814-L817 WeakPolarHBondContact O-CB 3.27Å; A814-L817 PolarHBondContact O-N 2.9Å; A814-I818 VanDerWaalsContact O-CD1 3.3Å; A814-I818 WeakPolarHBondContact O-CD1 3.49Å; A814-I818 WeakPolarHBondContact O-CG1 3.39Å; A814-I818 PolarHBondContact O-N 2.79Å
815M73.5Confident69.4Low35 Ų3527 Ų2717%0.17215%0.146CC..Hα-helixtrans-67.4-45177.8-70.7-172.2-59.600111.5K682 L811 D812 L817 I818 Q819K682-M815 HydrophobicContact CB-SD 4.41Å; L811-M815 HydrophobicContact CD2-CE 4.42Å; L811-M815 HydrophobicContact CG-CE 4.06Å; L811-M815 HydrophobicContact CG-SD 4.37Å; L811-M815 WeakPolarHBondContact O-CG 3.46Å; L811-M815 PolarHBondContact O-N 3.05Å; D812-M815 PolarHBondContact O-N 2.95Å; D812-M815 WeakPolarHBondContact OD1-CE 3.48Å; M815-L817 VanDerWaalsContact C-N 3.31Å; M815-L817 PolarHBondContact O-N 3.26Å; M815-I818 PolarHBondContact O-N 2.94Å; M815-Q819 WeakPolarHBondContact O-CB 3.41Å; M815-Q819 PolarHBondContact O-N 3.49Å
816S78.6Confident71.9Confident61 Ų6123 Ų2343%0.42713%0.129SC..Hα-helixtrans-62.3-38173.5-62.10000111.5D812 Q819 A820D812-S816 WeakPolarHBondContact O-CB 3.32Å; D812-S816 PolarHBondContact O-N 3.27Å; D812-S816 PolarHBondContact O-OG 2.96Å; S816-Q819 PolarHBondContact O-N 2.85Å; S816-A820 WeakPolarHBondContact O-CB 3.34Å; S816-A820 PolarHBondContact O-N 3.22Å
817L84Confident74.2Confident6 Ų620.3 Ų20.33%0.03112%0.115CC..Hα-helixtrans-62.5-45.8172.9-164.379000111.4M725 T729 V741 L789 C792 S813 A814 M815 A821M725-L817 HydrophobicContact CB-CD2 4.35Å; M725-L817 HydrophobicContact CE-CD1 3.63Å; M725-L817 HydrophobicContact CE-CD2 4.16Å; M725-L817 HydrophobicContact CE-CG 4.11Å; T729-L817 HydrophobicContact CG2-CD2 4.08Å; V741-L817 HydrophobicContact CG1-CD2 4.01Å; L789-L817 HydrophobicContact CD1-CD1 3.8Å; L789-L817 HydrophobicContact CD1-CG 4.13Å; L789-L817 WeakPolarHBondContact CD1-O 3.29Å; L789-L817 HydrophobicContact CG-CD1 4.41Å; C792-L817 HydrophobicContact CB-CB 4.25Å; C792-L817 HydrophobicContact CB-CD1 3.7Å; S813-L817 WeakPolarHBondContact O-CB 3.21Å; S813-L817 PolarHBondContact O-N 3.49Å; A814-L817 WeakPolarHBondContact O-CB 3.27Å; A814-L817 PolarHBondContact O-N 2.9Å; M815-L817 VanDerWaalsContact C-N 3.31Å; M815-L817 PolarHBondContact O-N 3.26Å; L817-A821 VanDerWaalsContact O-CB 3.23Å; L817-A821 WeakPolarHBondContact O-CB 3.08Å; L817-A821 PolarHBondContact O-N 3.46Å
818I81.4Confident76.5Confident0 Ų017 Ų170%010%0.095CC..Hα-helixtrans-64.8-43177.5-64.2155.2000110.6I683 Q686 V687 F690 T726 T729 A814 M815 A821 K822I683-I818 HydrophobicContact CG2-CD1 4.03Å; Q686-I818 HydrophobicContact CB-CB 4.4Å; Q686-I818 HydrophobicContact CB-CD1 4.25Å; Q686-I818 HydrophobicContact CB-CG2 3.83Å; V687-I818 HydrophobicContact CG2-CD1 3.93Å; V687-I818 HydrophobicContact CG2-CG1 4.27Å; V687-I818 HydrophobicContact CG2-CG2 4.39Å; F690-I818 HydrophobicContact CB-CG2 4.13Å; T726-I818 HydrophobicContact CG2-CB 4.45Å; T726-I818 HydrophobicContact CG2-CG1 4.07Å; T726-I818 HydrophobicContact CG2-CG2 4.34Å; T729-I818 HydrophobicContact CG2-CD1 4.39Å; T729-I818 HydrophobicContact CG2-CG1 4.32Å; A814-I818 VanDerWaalsContact O-CD1 3.3Å; A814-I818 WeakPolarHBondContact O-CD1 3.49Å; A814-I818 WeakPolarHBondContact O-CG1 3.39Å; A814-I818 PolarHBondContact O-N 2.79Å; M815-I818 PolarHBondContact O-N 2.94Å; I818-A821 PolarHBondContact O-N 2.87Å; I818-K822 WeakPolarHBondContact O-CB 3.34Å; I818-K822 PolarHBondContact O-N 3.4Å
819Q80.9Confident78.7Confident59 Ų5917 Ų1728%0.27610%0.095SC..Hα-helixtrans-69.1-41.8-179-177.35648.100111.9M815 S816 A821 K822 N823M815-Q819 WeakPolarHBondContact O-CB 3.41Å; M815-Q819 PolarHBondContact O-N 3.49Å; S816-Q819 PolarHBondContact O-N 2.85Å; Q819-A821 VanDerWaalsContact C-N 3.35Å; Q819-K822 PolarHBondContact O-N 3.34Å; Q819-N823 PolarHBondContact NE2-ND2 2.9Å; Q819-N823 PolarHBondContact NE2-OD1 3.48Å; Q819-N823 WeakPolarHBondContact O-CB 3.3Å; Q819-N823 VanDerWaalsContact O-CG 3.27Å; Q819-N823 PolarHBondContact O-N 2.83Å; Q819-N823 PolarHBondContact O-ND2 2.67Å
820A84.3Confident80.7Confident4 Ų417.6 Ų17.63%0.03310%0.099CC..Hα-helixtrans-62.5-42171.800000111.2Q788 L789 S816 N823 L824Q788-A820 HydrophobicContact CB-CB 4.21Å; L789-A820 HydrophobicContact CB-CB 4.29Å; L789-A820 HydrophobicContact CD1-CB 3.96Å; S816-A820 WeakPolarHBondContact O-CB 3.34Å; S816-A820 PolarHBondContact O-N 3.22Å; A820-N823 PolarHBondContact O-N 2.92Å; A820-L824 VanDerWaalsContact O-CB 3.29Å; A820-L824 WeakPolarHBondContact O-CB 3.34Å; A820-L824 PolarHBondContact O-N 3.3Å
821A89.1Confident82.6Confident1 Ų117.5 Ų17.51%0.00810%0.098CC..Hα-helixtrans-64.2-39.517500000112.2F690 M722 T726 L789 L817 I818 Q819 L824 M825F690-A821 HydrophobicContact CD2-CB 4.25Å; F690-A821 HydrophobicContact CE2-CB 3.94Å; M722-A821 HydrophobicContact CB-CB 4.37Å; M722-A821 HydrophobicContact CG-CB 4.23Å; M722-A821 HydrophobicContact SD-CB 4.26Å; T726-A821 HydrophobicContact CG2-CB 4.25Å; L789-A821 HydrophobicContact CD1-CB 4.02Å; L817-A821 VanDerWaalsContact O-CB 3.23Å; L817-A821 WeakPolarHBondContact O-CB 3.08Å; L817-A821 PolarHBondContact O-N 3.46Å; I818-A821 PolarHBondContact O-N 2.87Å; Q819-A821 VanDerWaalsContact C-N 3.35Å; A821-L824 PolarHBondContact O-N 3.35Å; A821-M825 WeakPolarHBondContact O-CB 3.47Å; A821-M825 PolarHBondContact O-N 2.94Å
822K89.4Confident84.2Confident36 Ų3617.3 Ų17.316%0.15710%0.097CC..Hα-helixtrans-62.8-49.4175-176-179.887.3-166.50111.5S689 F690 E693 I818 Q819 L824 M825 N826S689-K822 VanDerWaalsContact OG-CD 3.23Å; S689-K822 WeakPolarHBondContact OG-CD 3.37Å; S689-K822 PolarHBondContact OG-NZ 2.87Å; F690-K822 HydrophobicContact CB-CB 4.38Å; F690-K822 HydrophobicContact CD2-CB 4.15Å; E693-K822 HydrophobicContact CB-CG 4.32Å; E693-K822 HydrophobicContact CG-CD 4.35Å; E693-K822 HydrophobicContact CG-CG 3.73Å; I818-K822 WeakPolarHBondContact O-CB 3.34Å; I818-K822 PolarHBondContact O-N 3.4Å; Q819-K822 PolarHBondContact O-N 3.34Å; K822-L824 VanDerWaalsContact C-N 3.31Å; K822-L824 PolarHBondContact O-N 3.36Å; K822-M825 WeakPolarHBondContact O-CB 3.29Å; K822-M825 PolarHBondContact O-N 3.47Å; K822-N826 PolarHBondContact O-N 2.93Å
823N89.1Confident85.8Confident40 Ų4020.9 Ų20.921%0.21411%0.112CC..Hα-helixtrans-60.7-42.1177.8-76.1-13.8000111.5Y785 Q819 A820 N826 A827Y785-N823 HydrophobicContact CD1-CB 3.64Å; Y785-N823 VanDerWaalsContact CD2-C 3.44Å; Y785-N823 HydrophobicContact CD2-CB 3.82Å; Y785-N823 WeakPolarHBondContact CD2-O 3.43Å; Y785-N823 HydrophobicContact CE1-CB 3.59Å; Y785-N823 HydrophobicContact CE2-CB 3.76Å; Y785-N823 WeakPolarHBondContact CE2-O 3.44Å; Y785-N823 HydrophobicContact CG-CB 3.77Å; Q819-N823 PolarHBondContact NE2-ND2 2.9Å; Q819-N823 PolarHBondContact NE2-OD1 3.48Å; Q819-N823 WeakPolarHBondContact O-CB 3.3Å; Q819-N823 VanDerWaalsContact O-CG 3.27Å; Q819-N823 PolarHBondContact O-N 2.83Å; Q819-N823 PolarHBondContact O-ND2 2.67Å; A820-N823 PolarHBondContact O-N 2.92Å; N823-N826 PolarHBondContact O-N 3.42Å; N823-A827 PolarHBondContact O-N 3.4Å
824L93.1Very high86.7Confident0 Ų020.7 Ų20.70%011%0.111CC..Hα-helixtrans-64.1-42.7174.6-177.356.6000111.8M718 M722 I748 I782 L789 A820 A821 K822 N826 A827 V828M718-L824 HydrophobicContact CE-CD1 4.02Å; M718-L824 HydrophobicContact CE-CD2 4.11Å; M718-L824 HydrophobicContact CE-CG 4.27Å; M722-L824 HydrophobicContact CE-CD2 4.45Å; M722-L824 HydrophobicContact CE-CG 4.26Å; M722-L824 HydrophobicContact SD-CB 3.87Å; M722-L824 HydrophobicContact SD-CD2 3.75Å; M722-L824 HydrophobicContact SD-CG 3.8Å; I748-L824 HydrophobicContact CG2-CD2 3.43Å; I748-L824 VanDerWaalsContact CG2-CD2 3.43Å; I782-L824 HydrophobicContact CB-CD1 4.32Å; I782-L824 HydrophobicContact CG1-CD1 4.32Å; I782-L824 HydrophobicContact CG2-CD1 4.09Å; L789-L824 HydrophobicContact CD2-CD2 4.14Å; A820-L824 VanDerWaalsContact O-CB 3.29Å; A820-L824 WeakPolarHBondContact O-CB 3.34Å; A820-L824 PolarHBondContact O-N 3.3Å; A821-L824 PolarHBondContact O-N 3.35Å; K822-L824 VanDerWaalsContact C-N 3.31Å; K822-L824 PolarHBondContact O-N 3.36Å; L824-N826 VanDerWaalsContact C-N 3.34Å; L824-N826 PolarHBondContact O-N 2.91Å; L824-A827 PolarHBondContact O-N 2.7Å; L824-V828 HydrophobicContact CD1-CG2 4.2Å; L824-V828 HydrophobicContact CG-CG2 4.42Å; L824-V828 VanDerWaalsContact O-CG2 3.31Å; L824-V828 WeakPolarHBondContact O-CG2 3.33Å; L824-V828 PolarHBondContact O-N 2.8Å
825M92Very high87.5Confident0 Ų020.6 Ų20.60%011%0.11CC..Hα-helixtrans-55.9-48.8176.3-16869.769.800111.2F690 E693 K694 L697 C719 M722 A821 K822 A827 V828 V829F690-M825 HydrophobicContact CE1-CE 4.37Å; F690-M825 HydrophobicContact CE2-CB 4.4Å; F690-M825 HydrophobicContact CE2-CE 3.46Å; F690-M825 VanDerWaalsContact CE2-CE 3.46Å; F690-M825 HydrophobicContact CZ-CE 3.33Å; E693-M825 HydrophobicContact CB-CB 4.3Å; E693-M825 HydrophobicContact CB-CG 4.1Å; K694-M825 HydrophobicContact CB-CE 4.34Å; K694-M825 HydrophobicContact CG-CE 4.42Å; L697-M825 HydrophobicContact CB-CG 4.49Å; L697-M825 HydrophobicContact CB-SD 4.09Å; L697-M825 HydrophobicContact CD2-SD 3.29Å; L697-M825 WeakPolarHBondContact CD2-SD 3.43Å; L697-M825 HydrophobicContact CG-SD 4.31Å; C719-M825 HydrophobicContact CB-CE 4.33Å; C719-M825 HydrophobicContact CB-SD 4.26Å; M722-M825 HydrophobicContact CB-CE 4.05Å; M722-M825 HydrophobicContact CE-CB 4.43Å; M722-M825 HydrophobicContact CE-CE 3.63Å; M722-M825 HydrophobicContact CE-SD 3.84Å; M722-M825 HydrophobicContact SD-CE 4.11Å; A821-M825 WeakPolarHBondContact O-CB 3.47Å; A821-M825 PolarHBondContact O-N 2.94Å; K822-M825 WeakPolarHBondContact O-CB 3.29Å; K822-M825 PolarHBondContact O-N 3.47Å; M825-A827 PolarHBondContact O-N 3Å; M825-V828 PolarHBondContact O-N 2.94Å; M825-V829 WeakPolarHBondContact O-CG2 3.24Å; M825-V829 PolarHBondContact O-N 3.08Å
826N90.8Very high88.1Confident51 Ų5123 Ų2327%0.27312%0.118SC..Hα-helixtrans-61.9-43.5177.8-174.1-47.5000112E693 K822 N823 L824 V828 V829 S830E693-N826 WeakPolarHBondContact OE2-CB 3.43Å; E693-N826 PolarHBondContact OE2-ND2 3.48Å; K822-N826 PolarHBondContact O-N 2.93Å; N823-N826 PolarHBondContact O-N 3.42Å; L824-N826 VanDerWaalsContact C-N 3.34Å; L824-N826 PolarHBondContact O-N 2.91Å; N826-V828 VanDerWaalsContact C-N 3.34Å; N826-V828 PolarHBondContact O-N 3.48Å; N826-V829 WeakPolarHBondContact O-CB 3.47Å; N826-V829 PolarHBondContact O-N 2.94Å; N826-S830 PolarHBondContact O-N 3.32Å; N826-S830 PolarHBondContact O-OG 3.3Å
827A91.9Very high88.4Confident0 Ų023 Ų230%012%0.115CC..Hα-helixtrans-61.1-42.6176.200000111.6R781 I782 Y785 N823 L824 M825 S830 T831R781-A827 HydrophobicContact CB-CB 3.98Å; I782-A827 HydrophobicContact CG1-CB 3.83Å; Y785-A827 HydrophobicContact CD2-CB 3.97Å; Y785-A827 HydrophobicContact CE2-CB 4.23Å; N823-A827 PolarHBondContact O-N 3.4Å; L824-A827 PolarHBondContact O-N 2.7Å; M825-A827 PolarHBondContact O-N 3Å; A827-S830 PolarHBondContact O-N 3.41Å; A827-T831 WeakPolarHBondContact O-CB 3.48Å; A827-T831 PolarHBondContact O-N 2.93Å; A827-T831 PolarHBondContact O-OG1 3.3Å; A827-T831 VanDerWaalsContact O-OG1 3.13Å
828V93.6Very high88.1Confident0 Ų022.7 Ų22.70%011%0.114CC..Hα-helixtrans-62.1-43.7175.41720000111.6L697 A715 M718 M755 I782 L824 M825 N826 S830 T831 V832L697-V828 HydrophobicContact CD1-CG1 4.12Å; L697-V828 HydrophobicContact CD2-CG1 4.24Å; A715-V828 HydrophobicContact CB-CG1 3.7Å; M718-V828 HydrophobicContact CE-CG2 3.81Å; M718-V828 HydrophobicContact SD-CG2 4.18Å; M755-V828 HydrophobicContact CE-CG1 4.15Å; M755-V828 HydrophobicContact SD-CG1 4.36Å; M755-V828 HydrophobicContact SD-CG2 4.44Å; I782-V828 HydrophobicContact CD1-CG2 4.07Å; I782-V828 HydrophobicContact CG1-CG2 4.28Å; L824-V828 HydrophobicContact CD1-CG2 4.2Å; L824-V828 HydrophobicContact CG-CG2 4.42Å; L824-V828 VanDerWaalsContact O-CG2 3.31Å; L824-V828 WeakPolarHBondContact O-CG2 3.33Å; L824-V828 PolarHBondContact O-N 2.8Å; M825-V828 PolarHBondContact O-N 2.94Å; N826-V828 VanDerWaalsContact C-N 3.34Å; N826-V828 PolarHBondContact O-N 3.48Å; V828-S830 VanDerWaalsContact C-N 3.32Å; V828-S830 PolarHBondContact O-N 2.69Å; V828-T831 PolarHBondContact O-N 3.17Å; V828-V832 WeakPolarHBondContact O-CG2 3.48Å; V828-V832 PolarHBondContact O-N 2.81Å
829V90.7Very high87.8Confident7 Ų723.4 Ų23.44%0.04212%0.119CC..Hα-helixtrans-56.6-48.5174.9175.40000111L697 M825 N826 V832 K833L697-V829 HydrophobicContact CB-CG2 3.45Å; L697-V829 VanDerWaalsContact CB-CG2 3.45Å; L697-V829 HydrophobicContact CD1-CB 4.27Å; L697-V829 HydrophobicContact CD1-CG2 3.53Å; L697-V829 HydrophobicContact CG-CG2 4.02Å; M825-V829 WeakPolarHBondContact O-CG2 3.24Å; M825-V829 PolarHBondContact O-N 3.08Å; N826-V829 WeakPolarHBondContact O-CB 3.47Å; N826-V829 PolarHBondContact O-N 2.94Å; V829-V832 PolarHBondContact O-N 2.84Å; V829-K833 HydrophobicContact CG1-CD 4.32Å; V829-K833 WeakPolarHBondContact O-CG 3.06Å; V829-K833 PolarHBondContact O-N 2.94Å; V829-K833 VanDerWaalsContact O-N 3.14Å
830S92.6Very high87.4Confident22 Ų2222.8 Ų22.815%0.15412%0.119CC..Hα-helixtrans-65.7-42-177.2-58.80000111.3Y778 N826 A827 V828 K833 A834Y778-S830 VanDerWaalsContact CD1-CB 3.45Å; N826-S830 PolarHBondContact O-N 3.32Å; N826-S830 PolarHBondContact O-OG 3.3Å; A827-S830 PolarHBondContact O-N 3.41Å; V828-S830 VanDerWaalsContact C-N 3.32Å; V828-S830 PolarHBondContact O-N 2.69Å; S830-K833 PolarHBondContact O-N 3.38Å; S830-A834 VanDerWaalsContact O-CB 3.32Å; S830-A834 WeakPolarHBondContact O-CB 3.3Å; S830-A834 PolarHBondContact O-N 3.34Å
831T91.6Very high86.7Confident0 Ų027.5 Ų27.50%014%0.139CC..Hα-helixtrans-62.1-42.6174.8-68.10000112.3M755 L775 Y778 L779 I782 A827 V828 K833 A834 S835M755-T831 HydrophobicContact CG-CG2 4.32Å; M755-T831 HydrophobicContact SD-CG2 4.11Å; L775-T831 HydrophobicContact CD1-CG2 4.23Å; Y778-T831 VanDerWaalsContact CB-OG1 3.24Å; Y778-T831 WeakPolarHBondContact CB-OG1 3.3Å; L779-T831 HydrophobicContact CD2-CG2 3.55Å; L779-T831 HydrophobicContact CG-CG2 4.42Å; I782-T831 HydrophobicContact CD1-CG2 3.93Å; I782-T831 VanDerWaalsContact CD1-OG1 3.26Å; I782-T831 WeakPolarHBondContact CD1-OG1 3.41Å; A827-T831 WeakPolarHBondContact O-CB 3.48Å; A827-T831 PolarHBondContact O-N 2.93Å; A827-T831 PolarHBondContact O-OG1 3.3Å; A827-T831 VanDerWaalsContact O-OG1 3.13Å; V828-T831 PolarHBondContact O-N 3.17Å; T831-K833 PolarHBondContact O-N 3.26Å; T831-A834 PolarHBondContact O-N 2.91Å; T831-S835 WeakPolarHBondContact O-CB 3.44Å; T831-S835 PolarHBondContact O-N 3.21Å; T831-S835 PolarHBondContact O-OG 3.01Å
832V90.4Very high85.2Confident0 Ų030.7 Ų30.70%015%0.151CC..Hα-helixtrans-60.2-47.3176.61700000110.7E700 I711 I712 A715 V828 V829 S835 Y836 W858E700-V832 HydrophobicContact CG-CG1 4.29Å; I711-V832 HydrophobicContact CG2-CG2 3.99Å; I712-V832 HydrophobicContact CD1-CG1 3.61Å; A715-V832 HydrophobicContact CB-CG2 3.81Å; V828-V832 WeakPolarHBondContact O-CG2 3.48Å; V828-V832 PolarHBondContact O-N 2.81Å; V829-V832 PolarHBondContact O-N 2.84Å; V832-S835 PolarHBondContact O-N 3.07Å; V832-Y836 PolarHBondContact O-N 3.49Å; V832-Y836 VanDerWaalsContact O-N 3.15Å; V832-W858 HydrophobicContact CG1-CH2 4.15Å; V832-W858 HydrophobicContact CG1-CZ3 4.28Å; V832-W858 VanDerWaalsContact O-CH2 3.31Å; V832-W858 WeakPolarHBondContact O-CH2 3.23Å
833K89Confident83.5Confident98 Ų9835.8 Ų35.843%0.42618%0.175SC..Hα-helixtrans-62.5-49.9178.3-71.8176.2177.5175.20111.9E700 V829 S830 T831 S835 Y836 V837E700-K833 HydrophobicContact CG-CG 3.87Å; E700-K833 WeakPolarHBondContact OE2-CE 3.39Å; V829-K833 HydrophobicContact CG1-CD 4.32Å; V829-K833 WeakPolarHBondContact O-CG 3.06Å; V829-K833 PolarHBondContact O-N 2.94Å; V829-K833 VanDerWaalsContact O-N 3.14Å; S830-K833 PolarHBondContact O-N 3.38Å; T831-K833 PolarHBondContact O-N 3.26Å; K833-S835 VanDerWaalsContact C-N 3.32Å; K833-S835 PolarHBondContact O-N 3.48Å; K833-Y836 WeakPolarHBondContact O-CB 3.47Å; K833-Y836 PolarHBondContact O-N 3.29Å; K833-V837 WeakPolarHBondContact O-CG2 3.26Å; K833-V837 PolarHBondContact O-N 2.92Å; K833-V837 VanDerWaalsContact O-N 3.11Å
834A87.8Confident81.7Confident12 Ų1243 Ų4310%0.09921%0.205CC..Hα-helixtrans-64.1-38.1-179.400000111.7L775 Y778 S830 T831 Y836 V837 A838L775-A834 HydrophobicContact CB-CB 4.14Å; L775-A834 HydrophobicContact CD1-CB 3.97Å; Y778-A834 HydrophobicContact CD2-CB 3.91Å; Y778-A834 HydrophobicContact CE2-CB 4.21Å; S830-A834 VanDerWaalsContact O-CB 3.32Å; S830-A834 WeakPolarHBondContact O-CB 3.3Å; S830-A834 PolarHBondContact O-N 3.34Å; T831-A834 PolarHBondContact O-N 2.91Å; A834-Y836 VanDerWaalsContact C-N 3.33Å; A834-Y836 PolarHBondContact O-N 3.23Å; A834-V837 PolarHBondContact O-N 3.16Å; A834-A838 VanDerWaalsContact O-CB 3.31Å; A834-A838 WeakPolarHBondContact O-CB 3.49Å; A834-A838 PolarHBondContact O-N 3.42Å
835S84.8Confident79.5Confident0 Ų048.9 Ų48.90%024%0.236CC..Hα-helixtrans-62.9-38.8176.5-61.70000112L775 T831 V832 K833 S839L775-S835 WeakPolarHBondContact CD1-OG 3.35Å; T831-S835 WeakPolarHBondContact O-CB 3.44Å; T831-S835 PolarHBondContact O-N 3.21Å; T831-S835 PolarHBondContact O-OG 3.01Å; V832-S835 PolarHBondContact O-N 3.07Å; K833-S835 VanDerWaalsContact C-N 3.32Å; K833-S835 PolarHBondContact O-N 3.48Å; S835-S839 VanDerWaalsContact O-CB 3.28Å; S835-S839 WeakPolarHBondContact O-CB 3.45Å; S835-S839 PolarHBondContact O-N 3.44Å; S835-S839 PolarHBondContact O-OG 3.34Å
836Y85.6Confident77.4Confident85 Ų8557 Ų5733%0.33327%0.272SS..Hα-helixtrans-63.2-51.7173.1168.8-110.8000111.4W704 V832 K833 A834 A838 S839 T840 W858W704-Y836 HydrophobicContact CH2-CD1 4.08Å; W704-Y836 AromaticContact CH2-CD2 3.36Å; W704-Y836 HydrophobicContact CH2-CD2 3.36Å; W704-Y836 AromaticContact CH2-CE1 3.98Å; W704-Y836 HydrophobicContact CH2-CE1 3.98Å; W704-Y836 AromaticContact CH2-CE2 3.24Å; W704-Y836 HydrophobicContact CH2-CE2 3.24Å; W704-Y836 AromaticContact CH2-CG 3.78Å; W704-Y836 HydrophobicContact CH2-CG 3.78Å; W704-Y836 AromaticContact CH2-CZ 3.56Å; W704-Y836 HydrophobicContact CZ2-CD1 4.01Å; W704-Y836 AromaticContact CZ2-CD2 3.84Å; W704-Y836 HydrophobicContact CZ2-CD2 3.84Å; W704-Y836 HydrophobicContact CZ2-CE1 4.25Å; W704-Y836 HydrophobicContact CZ2-CE2 4.1Å; W704-Y836 AromaticContact CZ2-CG 3.78Å; W704-Y836 HydrophobicContact CZ2-CG 3.78Å; W704-Y836 AromaticContact CZ3-CD2 3.97Å; W704-Y836 HydrophobicContact CZ3-CD2 3.97Å; W704-Y836 AromaticContact CZ3-CE2 3.83Å; W704-Y836 HydrophobicContact CZ3-CE2 3.83Å; V832-Y836 PolarHBondContact O-N 3.49Å; V832-Y836 VanDerWaalsContact O-N 3.15Å; K833-Y836 WeakPolarHBondContact O-CB 3.47Å; K833-Y836 PolarHBondContact O-N 3.29Å; A834-Y836 VanDerWaalsContact C-N 3.33Å; A834-Y836 PolarHBondContact O-N 3.23Å; Y836-A838 VanDerWaalsContact C-N 3.33Å; Y836-A838 PolarHBondContact O-N 2.96Å; Y836-S839 PolarHBondContact O-N 2.96Å; Y836-S839 VanDerWaalsContact O-N 3.16Å; Y836-T840 HydrophobicContact CD2-CG2 3.95Å; Y836-T840 HydrophobicContact CE1-CG2 4.27Å; Y836-T840 HydrophobicContact CE2-CG2 3.41Å; Y836-T840 VanDerWaalsContact CE2-CG2 3.41Å; Y836-T840 WeakPolarHBondContact O-CG2 3.49Å; Y836-T840 PolarHBondContact O-N 3.28Å; Y836-W858 HydrophobicContact CD2-CB 4.02Å; Y836-W858 AromaticContact CD2-CD2 3.76Å; Y836-W858 HydrophobicContact CD2-CD2 3.76Å; Y836-W858 AromaticContact CD2-CE3 3.87Å; Y836-W858 HydrophobicContact CD2-CE3 3.87Å; Y836-W858 AromaticContact CD2-CG 3.82Å; Y836-W858 HydrophobicContact CD2-CG 3.82Å; Y836-W858 HydrophobicContact CE2-CB 4.32Å; Y836-W858 HydrophobicContact CG-CD2 4.37Å; Y836-W858 HydrophobicContact CG-CE3 4.26Å
837V83.6Confident75.1Confident62 Ų6262.7 Ų62.738%0.37630%0.302SS..Hα-helixtrans-57.6-48.7-179.8179.60000110.3C771 K833 A834 S839 T840 K841C771-V837 VanDerWaalsContact SG-CG1 3.59Å; K833-V837 WeakPolarHBondContact O-CG2 3.26Å; K833-V837 PolarHBondContact O-N 2.92Å; K833-V837 VanDerWaalsContact O-N 3.11Å; A834-V837 PolarHBondContact O-N 3.16Å; V837-S839 VanDerWaalsContact C-N 3.32Å; V837-S839 PolarHBondContact O-N 3.33Å; V837-T840 PolarHBondContact O-N 2.89Å; V837-T840 PolarHBondContact O-OG1 3.42Å; V837-K841 WeakPolarHBondContact O-CG 3.16Å; V837-K841 PolarHBondContact O-N 2.87Å
838A78.4Confident72.9Confident0 Ų071.5 Ų71.50%035%0.346CS..Hα-helixtrans-59.4-41.2178.200000112.4I762 C766 C771 L775 A834 Y836 T840 K841 Y842I762-A838 HydrophobicContact CG2-CB 3.67Å; C766-A838 HydrophobicContact CB-CB 4.15Å; C771-A838 VanDerWaalsContact SG-CA 3.59Å; C771-A838 PolarHBondContact SG-N 2.88Å; C771-A838 VanDerWaalsContact SG-N 3.44Å; L775-A838 HydrophobicContact CD2-CB 3.85Å; A834-A838 VanDerWaalsContact O-CB 3.31Å; A834-A838 WeakPolarHBondContact O-CB 3.49Å; A834-A838 PolarHBondContact O-N 3.42Å; Y836-A838 VanDerWaalsContact C-N 3.33Å; Y836-A838 PolarHBondContact O-N 2.96Å; A838-T840 PolarHBondContact O-N 3.21Å; A838-K841 PolarHBondContact O-N 3.34Å; A838-Y842 PolarHBondContact O-N 2.96Å
839S75.4Confident70.2Confident14 Ų1480.8 Ų80.810%0.09839%0.389CS..Hα-helixtrans-67.3-34.7178.8-59.50000113.2I762 S835 Y836 V837 Y842 Q843 W858I762-S839 WeakPolarHBondContact CG2-OG 3.26Å; S835-S839 VanDerWaalsContact O-CB 3.28Å; S835-S839 WeakPolarHBondContact O-CB 3.45Å; S835-S839 PolarHBondContact O-N 3.44Å; S835-S839 PolarHBondContact O-OG 3.34Å; Y836-S839 PolarHBondContact O-N 2.96Å; Y836-S839 VanDerWaalsContact O-N 3.16Å; V837-S839 VanDerWaalsContact C-N 3.32Å; V837-S839 PolarHBondContact O-N 3.33Å; S839-Y842 WeakPolarHBondContact O-CB 3.32Å; S839-Y842 PolarHBondContact O-N 3.28Å; S839-Q843 PolarHBondContact O-N 3.49Å; S839-W858 VanDerWaalsContact CB-NE1 3.35Å; S839-W858 PolarHBondContact OG-NE1 3.39Å
840T72.6Confident67.6Low47 Ų4784.8 Ų84.829%0.28842%0.423SS..Hα-helixtrans-72.9-30.1177.961.10000113.2Y836 V837 A838 Y842 Q843Y836-T840 HydrophobicContact CD2-CG2 3.95Å; Y836-T840 HydrophobicContact CE1-CG2 4.27Å; Y836-T840 HydrophobicContact CE2-CG2 3.41Å; Y836-T840 VanDerWaalsContact CE2-CG2 3.41Å; Y836-T840 WeakPolarHBondContact O-CG2 3.49Å; Y836-T840 PolarHBondContact O-N 3.28Å; V837-T840 PolarHBondContact O-N 2.89Å; V837-T840 PolarHBondContact O-OG1 3.42Å; A838-T840 PolarHBondContact O-N 3.21Å; T840-Y842 VanDerWaalsContact C-N 3.28Å; T840-Y842 PolarHBondContact O-N 3.43Å; T840-Q843 PolarHBondContact O-N 3.25Å
841K69.6Low65Low103 Ų10391.7 Ų91.745%0.44846%0.457SS..Hα-helixtrans-68.7-29.5175.9-65.3-74.4-175.6164.30111.9V837 A838V837-K841 WeakPolarHBondContact O-CG 3.16Å; V837-K841 PolarHBondContact O-N 2.87Å; A838-K841 PolarHBondContact O-N 3.34Å
842Y57.3Low62.7Low68 Ų6898.7 Ų98.727%0.26750%0.495SS..Hα-helixtrans-67.7-46.2173.5175.8-108.5000113.1L765 A838 S839 T840 K844 N845L765-Y842 HydrophobicContact CB-CD2 3.84Å; L765-Y842 HydrophobicContact CB-CE2 4.02Å; L765-Y842 HydrophobicContact CB-CG 4.33Å; L765-Y842 HydrophobicContact CD2-CE2 3.97Å; L765-Y842 HydrophobicContact CG-CE2 4.41Å; L765-Y842 VanDerWaalsContact O-CD2 3.23Å; L765-Y842 WeakPolarHBondContact O-CD2 3.38Å; A838-Y842 PolarHBondContact O-N 2.96Å; S839-Y842 WeakPolarHBondContact O-CB 3.32Å; S839-Y842 PolarHBondContact O-N 3.28Å; T840-Y842 VanDerWaalsContact C-N 3.28Å; T840-Y842 PolarHBondContact O-N 3.43Å; Y842-K844 PolarHBondContact O-N 2.84Å; Y842-K844 VanDerWaalsContact O-N 3.14Å; Y842-N845 PolarHBondContact O-N 3.14Å
843Q53.3Low60.5Low142 Ų142107.4 Ų107.466%0.66454%0.538SS*.Hα-helixtrans-63.4-21.4-176.4-80.1-180-27.300114.7S839 T840S839-Q843 PolarHBondContact O-N 3.49Å; T840-Q843 PolarHBondContact O-N 3.25Å
844K51.1Low58.6Low192 Ų192105.5 Ų105.584%0.83554%0.535SS*.THydrogen-bonded Turntrans-80.9-12.5-177.6-124.8-179.9-178.8-177.10114.2Y842Y842-K844 PolarHBondContact O-N 2.84Å; Y842-K844 VanDerWaalsContact O-N 3.14Å
845N47Very low56.9Low124 Ų124108.2 Ų108.266%0.66356%0.557SS**SBendtrans-111.5-4.1-166.6-109.29.8000116.3Y842Y842-N845 PolarHBondContact O-N 3.14Å
846K48.3Very low55.7Low170 Ų170108.3 Ų108.374%0.73956%0.558SS**  trans-137.9109.5175.1-76.6-172.8175.3-178.50111.9
847N42.1Very low54.9Low170 Ų170105.9 Ų105.991%0.90955%0.554SS**  trans-64.2141.8161.4-80.3-19.1000109.3
848M46.3Very low54.5Low186 Ų186105.2 Ų105.292%0.91654%0.544SS*.SBendtrans-40.5129.1-172.8-80.916771.900115.4
849E36.6Very low54.2Low194 Ų194112.7 Ų112.791%0.90757%0.572SS**  -174.3137.5122.6-101.4172.2-175.300112
850A36.4Very low53.9Low92 Ų92118.8 Ų118.876%0.7660%0.601SS**SBendtrans67.4109.716800000121
851L38.6Very low53.7Low167 Ų167121.2 Ų121.287%0.87461%0.608SS**SBendtrans51.577.2146.4-75.2136.3000118.8
852N42.4Very low53Low147 Ų147120 Ų12079%0.78662%0.617SS**  -176.1105.4128.7-94-20.3000107.6
853M44.2Very low52.6Low183 Ų183122.1 Ų122.190%0.90164%0.639SS**  trans-58.4142.9167.4-70.2-150.7-153.800108.4A855M853-A855 PolarHBondContact O-N 2.96Å
854P49.8Very low52.3Low58 Ų58122 Ų12238%0.37764%0.639SS.*  trans-54.2135.8169.324.1-31.8000108.4V856P854-V856 PolarHBondContact O-N 3.33Å
855A52Low52.1Low68 Ų68120 Ų12056%0.56263%0.63SS**SBendtrans-56.4-17.1-17700000113.4L758 M853L758-A855 HydrophobicContact CD2-CB 4.11Å; M853-A855 PolarHBondContact O-N 2.96Å
856V60.4Low52.1Low2 Ų2122.9 Ų122.91%0.01264%0.637CS.*SBendtrans-134.1136.4175.6-76.60000110.8D710 I711 I762 P854D710-V856 HydrophobicContact CB-CG1 4.27Å; I711-V856 HydrophobicContact CB-CG1 4.49Å; I711-V856 HydrophobicContact CD1-CG1 4.42Å; I711-V856 HydrophobicContact CD1-CG2 4.24Å; I711-V856 HydrophobicContact CG1-CG1 4.13Å; I762-V856 HydrophobicContact CD1-CG2 3.53Å; I762-V856 HydrophobicContact CG1-CG2 4.18Å; P854-V856 PolarHBondContact O-N 3.33Å
857S68.4Low51.5Low35 Ų35119.8 Ų119.825%0.24563%0.634CS.*  trans-102.8125.3176.772.60000111.5G708 N709 R859G708-S857 PolarHBondContact O-N 3.01Å; G708-S857 PolarHBondContact O-OG 3.08Å; N709-S857 WeakPolarHBondContact CB-O 3.48Å; N709-S857 PolarHBondContact ND2-O 2.87Å; N709-S857 VanDerWaalsContact ND2-O 3.12Å; S857-R859 PolarHBondContact O-N 3.28Å
858W74.4Confident51.5Low47 Ų47117.3 Ų117.318%0.17862%0.62CS.*  trans-92.198.7177.7-65.995.1000109.8W704 I711 I712 V832 Y836 S839W704-W858 AromaticContact CD2-CE3 3.73Å; W704-W858 HydrophobicContact CD2-CE3 3.73Å; W704-W858 HydrophobicContact CD2-CZ3 4.02Å; W704-W858 AromaticContact CE2-CE3 3.96Å; W704-W858 HydrophobicContact CE3-CB 4.47Å; W704-W858 AromaticContact CE3-CE3 3.77Å; W704-W858 HydrophobicContact CE3-CE3 3.77Å; W704-W858 HydrophobicContact CG-CE3 4.28Å; W704-W858 HydrophobicContact CG-CZ3 4.23Å; W704-W858 HydrophobicContact CH2-CE3 4.31Å; W704-W858 HydrophobicContact CZ2-CE3 4.25Å; W704-W858 HydrophobicContact CZ3-CB 4.18Å; W704-W858 HydrophobicContact CZ3-CE3 4.06Å; I711-W858 HydrophobicContact CG2-CH2 4.44Å; I712-W858 HydrophobicContact CD1-CH2 4.38Å; I712-W858 HydrophobicContact CD1-CZ3 3.95Å; I712-W858 HydrophobicContact CG1-CZ3 4.23Å; V832-W858 HydrophobicContact CG1-CH2 4.15Å; V832-W858 HydrophobicContact CG1-CZ3 4.28Å; V832-W858 VanDerWaalsContact O-CH2 3.31Å; V832-W858 WeakPolarHBondContact O-CH2 3.23Å; Y836-W858 HydrophobicContact CD2-CB 4.02Å; Y836-W858 AromaticContact CD2-CD2 3.76Å; Y836-W858 HydrophobicContact CD2-CD2 3.76Å; Y836-W858 AromaticContact CD2-CE3 3.87Å; Y836-W858 HydrophobicContact CD2-CE3 3.87Å; Y836-W858 AromaticContact CD2-CG 3.82Å; Y836-W858 HydrophobicContact CD2-CG 3.82Å; Y836-W858 HydrophobicContact CE2-CB 4.32Å; Y836-W858 HydrophobicContact CG-CD2 4.37Å; Y836-W858 HydrophobicContact CG-CE3 4.26Å; S839-W858 VanDerWaalsContact CB-NE1 3.35Å; S839-W858 PolarHBondContact OG-NE1 3.39Å
859R72.4Confident50.8Low157 Ų157113 Ų11359%0.59260%0.604SS**  trans-112.3126.5174.8-66.5-177.7-171-140.1-0.4109.2D705 S857D705-R859 HydrophobicContact CB-CB 3.98Å; D705-R859 PolarHBondContact N-O 2.94Å; S857-R859 PolarHBondContact O-N 3.28Å
860M69.6Low50.7Low143 Ų143112.8 Ų112.870%0.70460%0.6SS**BIsolated β-bridgetrans-70134171.6-73.4-170.676.800109.5K703 W704K703-M860 WeakPolarHBondContact O-CA 3.12Å; W704-M860 HydrophobicContact CE3-CG 4.32Å; W704-M860 HydrophobicContact CH2-CG 4.41Å; W704-M860 HydrophobicContact CZ3-CG 3.84Å
861K67.3Low50.5Low98 Ų98119.2 Ų119.243%0.42660%0.604SS.*PPolyproline II helixtrans-63.8139.1172.4-158-179.5-171.3-156.50109K703 E864K703-K861 PolarHBondContact O-N 3Å; K861-E864 IonicContact NZ-OE1 3.04Å; K861-E864 PolarHBondContact NZ-OE1 2.86Å
862A54.8Low50.1Low78 Ų78120 Ų12065%0.64560%0.604SS**PPolyproline II helixtrans-54.4133.8175.900000109.7E864A862-E864 PolarHBondContact O-N 3.31Å
863P49.2Very low49.5Very low112 Ų112122.7 Ų122.773%0.72761%0.608SS**  trans-62.7108.7-172.521.3-31.1000110.5K45K45-P863 PolarHBondContact NZ-O 3.44Å
864E47.6Very low48.8Very low140 Ų140122 Ų12265%0.65460%0.603SS**  trans-68.5146.5171.4-74.4-179.7-15800110.3K45 K861 A862 K866K45-E864 PolarHBondContact NZ-O 3.18Å; K861-E864 IonicContact NZ-OE1 3.04Å; K861-E864 PolarHBondContact NZ-OE1 2.86Å; A862-E864 PolarHBondContact O-N 3.31Å; E864-K866 PolarHBondContact O-N 2.95Å; E864-K866 VanDerWaalsContact O-N 3.15Å
865K47.2Very low47.9Very low149 Ų149124.8 Ų124.865%0.64861%0.614SS**  trans-75.3103178.4-77.9-172.1178.5-176.60107.9K45K45-K865 HydrophobicContact CD-CD 4.14Å; K45-K865 HydrophobicContact CD-CG 3.48Å; K45-K865 VanDerWaalsContact CD-CG 3.48Å
866K46.3Very low46.8Very low185 Ų185129.3 Ų129.380%0.80463%0.629SS**  trans-59.9140.8165.3-68.7-174.5179.2-177.40108.9E864 L868E864-K866 PolarHBondContact O-N 2.95Å; E864-K866 VanDerWaalsContact O-N 3.15Å; K866-L868 PolarHBondContact O-N 3.07Å
867P35.5Very low45.4Very low105 Ų105132 Ų13268%0.68266%0.658SS**  trans-58.5129.2173.423.4-31000109.3V869P867-V869 PolarHBondContact O-N 2.7Å; P867-V869 VanDerWaalsContact O-N 3.1Å
868L41.4Very low43.5Very low117 Ų117137.8 Ų137.861%0.61368%0.681SS**SBendtrans-63.2-14.9-177.2-92.788.5000113.5K866K866-L868 PolarHBondContact O-N 3.07Å
869V32Very low41.3Very low95 Ų95141.8 Ų141.858%0.57671%0.71SS**SBendtrans-126.2111.6169.2176.10000104.2P867 R871P867-V869 PolarHBondContact O-N 2.7Å; P867-V869 VanDerWaalsContact O-N 3.1Å; V869-R871 PolarHBondContact O-N 3.34Å; V869-R871 VanDerWaalsContact O-N 3.08Å
870K35Very low39.4Very low191 Ų191141.2 Ų141.283%0.8372%0.719SS**  trans-54.3117.7148.2-94.6-178.8174.7179.10102.6E872K870-E872 PolarHBondContact O-N 2.85Å
871R31.4Very low37.4Very low227 Ų227143.7 Ų143.786%0.85773%0.726SS**  trans-44.2125.7157-83.4-178.8174.6172.2-3.5103.2V869 K873V869-R871 PolarHBondContact O-N 3.34Å; V869-R871 VanDerWaalsContact O-N 3.08Å; R871-K873 PolarHBondContact O-N 2.95Å
872E31.4Very low35.8Very low184 Ų184145.6 Ų145.686%0.8675%0.746SS**  trans-39.3120.5157-84.7172.1153.800103.4K870 Q874K870-E872 PolarHBondContact O-N 2.85Å; E872-Q874 PolarHBondContact O-N 3.22Å
873K29.6Very low34.4Very low202 Ų202150.7 Ų150.788%0.87875%0.753SS**  trans-55.2103.9154.9-82.1-174.8172.6-173.40100.7R871 D875R871-K873 PolarHBondContact O-N 2.95Å; K873-D875 PolarHBondContact O-N 2.92Å
874Q30Very low33.2Very low169 Ų169156.4 Ų156.479%0.7976%0.76SS**  trans-44.6111.1143.9-113177.6-24.800101.7E872 D876E872-Q874 PolarHBondContact O-N 3.22Å; Q874-D876 PolarHBondContact O-N 2.85Å
875D30.8Very low32Very low116 Ų116155.3 Ų155.362%0.6277%0.768SS**  trans-49.3103.3171.7-167.222.7000104.8K873 G877 Q878K873-D875 PolarHBondContact O-N 2.92Å; D875-G877 PolarHBondContact O-N 2.75Å; D875-Q878 PolarHBondContact O-N 2.67Å
876D27.5Very low31.1Very low163 Ų163153.4 Ų153.487%0.87277%0.773SS**THydrogen-bonded Turntrans-69.324.3169.9-84.7-29.2000109.6Q874Q874-D876 PolarHBondContact O-N 2.85Å
877G31.1Very low30.5Very low59 Ų59153.5 Ų153.561%0.60878%0.777SS**THydrogen-bonded Turntrans-93.1-3.7156.800000114D875D875-G877 PolarHBondContact O-N 2.75Å
878Q29.8Very low30Very low157 Ų157158.3 Ų158.373%0.73479%0.787SS**  trans-115.454.5-175.8-137.9173.524.100113.7D875D875-Q878 PolarHBondContact O-N 2.67Å
879T27.5Very low29.4Very low130 Ų130160.7 Ų160.780%0.79879%0.792SS**  trans-88.3106.6147.250.40000108.7K881T879-K881 PolarHBondContact O-N 3.03Å
880N32.1Very low29.5Very low145 Ų145161.9 Ų161.978%0.77579%0.791SS**  trans-42.6100.4163.8-81.8-27.5000111.3
881K27.8Very low29.4Very low195 Ų195156 Ų15685%0.84877%0.771SS**  trans-98.5114.3134.5-86.3-175.1177.21780106.1T879 K883T879-K881 PolarHBondContact O-N 3.03Å; K881-K883 VanDerWaalsContact C-N 3.33Å; K881-K883 PolarHBondContact O-N 2.95Å
882V33.6Very low29.5Very low139 Ų139147 Ų14784%0.84274%0.743SS**  trans-51.398.6165.71770000107.8
883K25Very low29.8Very low184 Ų184139.6 Ų139.680%0.871%0.711SS**  trans-111.4114158.2-100.2-172.3174.2-1750105.8K881 S885K881-K883 VanDerWaalsContact C-N 3.33Å; K881-K883 PolarHBondContact O-N 2.95Å; K883-S885 PolarHBondContact O-N 3.37Å; K883-S885 VanDerWaalsContact O-N 3.15Å
884R24.6Very low30.1Very low233 Ų233131.6 Ų131.688%0.87968%0.679SS**  trans-44.2119.4168.9-81.5172.9164.1170.1-6.1108.8S886R884-S886 PolarHBondContact O-N 3.06Å; R884-S886 VanDerWaalsContact O-N 3.13Å
885S23.3Very low30.4Very low116 Ų116126.5 Ų126.581%0.81166%0.655SS**  trans-58.211016435.10000108.8K883K883-S885 PolarHBondContact O-N 3.37Å; K883-S885 VanDerWaalsContact O-N 3.15Å
886S26.5Very low30.8Very low109 Ų109122.3 Ų122.376%0.76264%0.637SS**  trans-107.2100.6154.3-34.40000104.9R884 K888R884-S886 PolarHBondContact O-N 3.06Å; R884-S886 VanDerWaalsContact O-N 3.13Å; S886-K888 PolarHBondContact O-N 2.94Å
887Q34.3Very low31.2Very low188 Ų188115.3 Ų115.388%0.87960%0.599SS**  trans-59.6120.2164.7-71.9172.9-33.800107.9
888K25.8Very low31.6Very low206 Ų206114.4 Ų114.490%0.89658%0.583SS**  trans-133.3126.9150.2-86.4-170.6175.6-1780108.3S886S886-K888 PolarHBondContact O-N 2.94Å
889K29Very low31.6Very low167 Ų167110.5 Ų110.573%0.72657%0.565SS**  trans-72130-170.8-67171.5170.1-173.50109.7
890H33.1Very low32Very low120 Ų120107.7 Ų107.756%0.55654%0.542SS*.  trans-80.6128.5151.1-177.5-85.8000106.8Q895H890-Q895 PolarHBondContact O-OE1 3.42Å
891V32.3Very low32Very low66 Ų66108.9 Ų108.940%0.454%0.54SS..  trans-96.899.6174.3178.30000106Q895 A896 E899V891-Q895 HydrophobicContact CG1-CB 3.87Å; V891-A896 HydrophobicContact CG1-CB 4.28Å; V891-E899 VanDerWaalsContact CG2-OE2 3.28Å; V891-E899 WeakPolarHBondContact CG2-OE2 3.44Å
892S35.1Very low32.2Very low38 Ų38104.5 Ų104.527%0.26654%0.541SS..  trans-58.3152.7169.4159.70000110.1V894 Q895 A896S892-V894 PolarHBondContact O-N 3.31Å; S892-V894 PolarHBondContact OG-N 3.38Å; S892-Q895 CarbonylContact O-C 3.53Å; S892-Q895 VanDerWaalsContact O-C 3.32Å; S892-Q895 WeakPolarHBondContact O-CA 3.49Å; S892-Q895 WeakPolarHBondContact O-CB 3.47Å; S892-Q895 PolarHBondContact O-N 3.26Å; S892-A896 PolarHBondContact O-N 3.31Å
893P37.4Very low31.8Very low29 Ų29105.4 Ų105.419%0.18854%0.538CS..Hα-helixtrans-56.7-30.5170.6-25.733000113.7L449 D504 Q895 A896 L897L449-P893 HydrophobicContact CD1-CB 4.3Å; D504-P893 WeakPolarHBondContact OD2-CG 3.45Å; P893-Q895 PolarHBondContact O-N 3.47Å; P893-A896 PolarHBondContact O-N 3.09Å; P893-L897 WeakPolarHBondContact O-CG 3.47Å; P893-L897 PolarHBondContact O-N 3.46Å
894V35.5Very low31.7Very low35 Ų35103.5 Ų103.521%0.21254%0.536CS..Hα-helixtrans-61.1-33167.7176.70000110.9A208 L449 S892 S898A208-V894 HydrophobicContact CB-CG1 4.11Å; L449-V894 HydrophobicContact CD2-CG2 3.7Å; S892-V894 PolarHBondContact O-N 3.31Å; S892-V894 PolarHBondContact OG-N 3.38Å; V894-S898 PolarHBondContact O-N 3Å
895Q36.8Very low31.6Very low61 Ų6197.9 Ų97.929%0.28553%0.533SS..Hα-helixtrans-78.8-37.1176.4-133.6175-27.600112.1H890 V891 S892 P893 L897 S898 E899H890-Q895 PolarHBondContact O-OE1 3.42Å; V891-Q895 HydrophobicContact CG1-CB 3.87Å; S892-Q895 CarbonylContact O-C 3.53Å; S892-Q895 VanDerWaalsContact O-C 3.32Å; S892-Q895 WeakPolarHBondContact O-CA 3.49Å; S892-Q895 WeakPolarHBondContact O-CB 3.47Å; S892-Q895 PolarHBondContact O-N 3.26Å; P893-Q895 PolarHBondContact O-N 3.47Å; Q895-L897 VanDerWaalsContact C-N 3.28Å; Q895-L897 PolarHBondContact O-N 3.12Å; Q895-S898 VanDerWaalsContact CA-OG 3.24Å; Q895-S898 WeakPolarHBondContact CA-OG 3.47Å; Q895-S898 CarbonylContact O-C 3.54Å; Q895-S898 VanDerWaalsContact O-C 3.25Å; Q895-S898 VanDerWaalsContact O-CA 3.28Å; Q895-S898 WeakPolarHBondContact O-CA 3.44Å; Q895-S898 WeakPolarHBondContact O-CB 3.35Å; Q895-S898 PolarHBondContact O-N 2.97Å; Q895-S898 PolarHBondContact O-OG 2.74Å; Q895-E899 HydrophobicContact CG-CG 4.27Å; Q895-E899 PolarHBondContact NE2-OE1 3.17Å; Q895-E899 WeakPolarHBondContact O-CA 3.31Å; Q895-E899 WeakPolarHBondContact O-CB 3.31Å; Q895-E899 VanDerWaalsContact O-CG 3.26Å; Q895-E899 WeakPolarHBondContact O-CG 3.49Å; Q895-E899 PolarHBondContact O-N 3.16Å
896A38.2Very low32Very low29 Ų29104.1 Ų104.124%0.2455%0.554CS.*Hα-helixtrans-62.5-34.3171.500000112.3V497 V891 S892 P893 S898V497-A896 HydrophobicContact CG2-CB 4.47Å; V891-A896 HydrophobicContact CG1-CB 4.28Å; S892-A896 PolarHBondContact O-N 3.31Å; P893-A896 PolarHBondContact O-N 3.09Å; A896-S898 PolarHBondContact O-N 2.94Å
897L37.3Very low32.2Very low16 Ų16103.9 Ų103.98%0.08454%0.544CS..THydrogen-bonded Turntrans-69.5-21.1168.6-69.7168.9000113.3G212 M452 Q456 P893 Q895G212-L897 WeakPolarHBondContact CA-O 3.27Å; M452-L897 HydrophobicContact CE-CD1 3.28Å; Q456-L897 VanDerWaalsContact OE1-CD2 3.31Å; P893-L897 WeakPolarHBondContact O-CG 3.47Å; P893-L897 PolarHBondContact O-N 3.46Å; Q895-L897 VanDerWaalsContact C-N 3.28Å; Q895-L897 PolarHBondContact O-N 3.12Å
898S38.4Very low32.1Very low39 Ų3999.5 Ų99.527%0.27353%0.526SS..THydrogen-bonded Turntrans-101.1-10176.982.20000114.7V894 Q895 A896V894-S898 PolarHBondContact O-N 3Å; Q895-S898 VanDerWaalsContact CA-OG 3.24Å; Q895-S898 WeakPolarHBondContact CA-OG 3.47Å; Q895-S898 CarbonylContact O-C 3.54Å; Q895-S898 VanDerWaalsContact O-C 3.25Å; Q895-S898 VanDerWaalsContact O-CA 3.28Å; Q895-S898 WeakPolarHBondContact O-CA 3.44Å; Q895-S898 WeakPolarHBondContact O-CB 3.35Å; Q895-S898 PolarHBondContact O-N 2.97Å; Q895-S898 PolarHBondContact O-OG 2.74Å; A896-S898 PolarHBondContact O-N 2.94Å
899E30.4Very low32.5Very low76 Ų7693.6 Ų93.636%0.35551%0.506SS..  trans-113.955.4-171.9-73.5-172.5-179.700110.8V891 Q895 K901V891-E899 VanDerWaalsContact CG2-OE2 3.28Å; V891-E899 WeakPolarHBondContact CG2-OE2 3.44Å; Q895-E899 HydrophobicContact CG-CG 4.27Å; Q895-E899 PolarHBondContact NE2-OE1 3.17Å; Q895-E899 WeakPolarHBondContact O-CA 3.31Å; Q895-E899 WeakPolarHBondContact O-CB 3.31Å; Q895-E899 VanDerWaalsContact O-CG 3.26Å; Q895-E899 WeakPolarHBondContact O-CG 3.49Å; Q895-E899 PolarHBondContact O-N 3.16Å; E899-K901 VanDerWaalsContact C-N 3.33Å; E899-K901 PolarHBondContact O-N 3Å
900F35.6Very low32.7Very low70 Ų7089.2 Ų89.231%0.30749%0.493SS..SBendtrans-90.480.3155.1-87.9-96.1000109.5K493K493-F900 HydrophobicContact CB-CZ 3.95Å; K493-F900 HydrophobicContact CD-CE1 3.4Å; K493-F900 HydrophobicContact CD-CZ 3.57Å; K493-F900 HydrophobicContact CG-CZ 4.34Å
901K32.2Very low32.6Very low170 Ų17087.3 Ų87.374%0.73949%0.489SS*.  trans56.796.4165.9-67.8-169.3174.5-171.30118.8E899E899-K901 VanDerWaalsContact C-N 3.33Å; E899-K901 PolarHBondContact O-N 3Å
902A31.6Very low32.7Very low104 Ų10488.7 Ų88.786%0.8650%0.495SS*.  trans-9182.7136.200000108.5
903M25.9Very low32.5Very low157 Ų15792.4 Ų92.477%0.77351%0.511SS*.  trans-171.395.4159.2-107175.5-175.200107.7
904D22.3Very low32.1Very low145 Ų14597.2 Ų97.278%0.77554%0.536SS*.SBend-171.4120.5118.5-87.4-29000110.1
905S23.1Very low31.8Very low114 Ų114102.4 Ų102.480%0.79756%0.563SS**  trans77112159.2-52.40000120.3
906I30.3Very low31.4Very low248 Ų248106.2 Ų106.2100%1.27259%0.589SS**  trans29.70143.5-54.5177.2000118.1

Retrieved 906 of 906 residues in 203.5 ms (Link to these results)

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