A0A077YXE1_TRITR Loading...

Ribosomal protein L19

AlphaFold DB , UniProt , Accession A0A077YXE1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 196 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
1M60Low90.4Very high249 Ų24985.1 Ų85.1100%1.22740%0.398SS*.  0130.20-73-169.8-157.400109.2
2S76.8Confident91Very high49 Ų4978.8 Ų78.834%0.34337%0.372SS..  trans-68.6147.5175.250.40000111.7L4S2-L4 PolarHBondContact O-N 2.99Å
3N90.7Very high91.4Very high115 Ų11577.3 Ų77.362%0.61538%0.381SS*.  trans-86.992.3-179-177.8-2000111.4R5N3-R5 VanDerWaalsContact C-N 3.26Å; N3-R5 PolarHBondContact O-N 3.12Å; N3-R5 VanDerWaalsContact OD1-CB 3.27Å; N3-R5 WeakPolarHBondContact OD1-CB 3.36Å; N3-R5 WeakPolarHBondContact OD1-CD 3.41Å; N3-R5 WeakPolarHBondContact OD1-CG 3.19Å; N3-R5 PolarHBondContact OD1-N 3.43Å
4L94Very high91.7Very high37 Ų3774.3 Ų74.319%0.19437%0.369CS..THydrogen-bonded Turntrans-83.516.9-177.9-54.5-178.7000114.9S2 L6 Q7 K8 L24 A29 I32S2-L4 PolarHBondContact O-N 2.99Å; L4-L6 VanDerWaalsContact C-N 3.32Å; L4-L6 PolarHBondContact O-N 2.99Å; L4-Q7 PolarHBondContact O-N 3.36Å; L4-K8 WeakPolarHBondContact O-CB 3.4Å; L4-K8 PolarHBondContact O-N 3.49Å; L4-L24 HydrophobicContact CB-CD1 3.82Å; L4-L24 HydrophobicContact CD1-CD1 4.04Å; L4-A29 HydrophobicContact CD1-CB 4.49Å; L4-I32 HydrophobicContact CD1-CG2 4.36Å; L4-I32 HydrophobicContact CD2-CG2 4.18Å
5R94.7Very high92Very high201 Ų20170.9 Ų70.976%0.75835%0.352SS*.Hα-helixtrans-63.8-36.7-177.8-74.1177-177.6-171.62.8112.3N3 R9N3-R5 VanDerWaalsContact C-N 3.26Å; N3-R5 PolarHBondContact O-N 3.12Å; N3-R5 VanDerWaalsContact OD1-CB 3.27Å; N3-R5 WeakPolarHBondContact OD1-CB 3.36Å; N3-R5 WeakPolarHBondContact OD1-CD 3.41Å; N3-R5 WeakPolarHBondContact OD1-CG 3.19Å; N3-R5 PolarHBondContact OD1-N 3.43Å; R5-R9 WeakPolarHBondContact O-CB 3.46Å; R5-R9 PolarHBondContact O-N 3.36Å; R5-R9 VanDerWaalsContact O-N 3.11Å
6L94.8Very high92.2Very high67 Ų6778.5 Ų78.535%0.35138%0.382SS..Hα-helixtrans-64.7-52.4177.6173.262.2000110.5L4 K8 R9 L10L4-L6 VanDerWaalsContact C-N 3.32Å; L4-L6 PolarHBondContact O-N 2.99Å; L6-K8 VanDerWaalsContact C-N 3.33Å; L6-K8 PolarHBondContact O-N 3.37Å; L6-R9 CarbonylContact O-C 3.58Å; L6-R9 WeakPolarHBondContact O-CA 3.44Å; L6-R9 WeakPolarHBondContact O-CB 3.43Å; L6-R9 PolarHBondContact O-N 3.17Å; L6-L10 HydrophobicContact CD1-CD1 4.03Å; L6-L10 HydrophobicContact CD1-CG 4.04Å; L6-L10 HydrophobicContact CG-CD1 4.01Å; L6-L10 HydrophobicContact CG-CG 4.38Å; L6-L10 WeakPolarHBondContact O-CG 3.46Å; L6-L10 PolarHBondContact O-N 3.02Å
7Q96.1Very high92.4Very high8 Ų875.3 Ų75.34%0.03737%0.369CS..Hα-helixtrans-59.5-45-179-68.675.64.900110.3L4 R9 L10 A11 I32 S33 I41L4-Q7 PolarHBondContact O-N 3.36Å; Q7-R9 VanDerWaalsContact C-N 3.3Å; Q7-R9 PolarHBondContact O-N 3.22Å; Q7-L10 PolarHBondContact O-N 3.2Å; Q7-A11 WeakPolarHBondContact O-CB 3.39Å; Q7-A11 PolarHBondContact O-N 2.93Å; Q7-I32 HydrophobicContact CB-CG2 3.99Å; Q7-I32 HydrophobicContact CG-CG2 4Å; Q7-I32 VanDerWaalsContact CG-O 3.26Å; Q7-I32 WeakPolarHBondContact CG-O 3.44Å; Q7-S33 PolarHBondContact NE2-O 3Å; Q7-I41 HydrophobicContact CB-CD1 4.04Å; Q7-I41 HydrophobicContact CG-CD1 4.18Å
8K96.5Very high92.6Very high80 Ų8073.8 Ų73.835%0.34838%0.376SS..Hα-helixtrans-61.2-37.3175.2-163.6165.7-171.6167.70112.8L4 L6 A12 K19 V22 L24L4-K8 WeakPolarHBondContact O-CB 3.4Å; L4-K8 PolarHBondContact O-N 3.49Å; L6-K8 VanDerWaalsContact C-N 3.33Å; L6-K8 PolarHBondContact O-N 3.37Å; K8-A12 WeakPolarHBondContact O-CB 3.41Å; K8-A12 PolarHBondContact O-N 3.43Å; K8-A12 VanDerWaalsContact O-N 3.13Å; K8-K19 WeakPolarHBondContact CE-O 3.33Å; K8-K19 HydrophobicContact CG-CB 4.47Å; K8-V22 HydrophobicContact CG-CB 4.18Å; K8-V22 HydrophobicContact CG-CG1 4.23Å; K8-L24 HydrophobicContact CB-CD1 4.14Å
9R97Very high92.8Very high120 Ų12075.7 Ų75.745%0.45338%0.382SS..Hα-helixtrans-69.2-44.4175.4179.9-175.96684.7-4.5111.5R5 L6 Q7 A12 A13R5-R9 WeakPolarHBondContact O-CB 3.46Å; R5-R9 PolarHBondContact O-N 3.36Å; R5-R9 VanDerWaalsContact O-N 3.11Å; L6-R9 CarbonylContact O-C 3.58Å; L6-R9 WeakPolarHBondContact O-CA 3.44Å; L6-R9 WeakPolarHBondContact O-CB 3.43Å; L6-R9 PolarHBondContact O-N 3.17Å; Q7-R9 VanDerWaalsContact C-N 3.3Å; Q7-R9 PolarHBondContact O-N 3.22Å; R9-A12 PolarHBondContact O-N 3.17Å; R9-A13 PolarHBondContact O-N 3.16Å
10L96.6Very high92.9Very high10 Ų1079.3 Ų79.35%0.05240%0.402CS..Hα-helixtrans-65.6-45.4178.1-68.2178.6000111.1L6 Q7 A12 A13 V14 R38 I41L6-L10 HydrophobicContact CD1-CD1 4.03Å; L6-L10 HydrophobicContact CD1-CG 4.04Å; L6-L10 HydrophobicContact CG-CD1 4.01Å; L6-L10 HydrophobicContact CG-CG 4.38Å; L6-L10 WeakPolarHBondContact O-CG 3.46Å; L6-L10 PolarHBondContact O-N 3.02Å; Q7-L10 PolarHBondContact O-N 3.2Å; L10-A12 VanDerWaalsContact C-N 3.34Å; L10-A12 PolarHBondContact O-N 2.99Å; L10-A13 WeakPolarHBondContact O-CB 3.43Å; L10-A13 PolarHBondContact O-N 3.41Å; L10-A13 VanDerWaalsContact O-N 3.12Å; L10-V14 WeakPolarHBondContact O-CB 3.49Å; L10-V14 VanDerWaalsContact O-CG2 3.32Å; L10-V14 WeakPolarHBondContact O-CG2 3.41Å; L10-V14 PolarHBondContact O-N 2.92Å; L10-R38 HydrophobicContact CD2-CG 4.09Å; L10-I41 HydrophobicContact CB-CD1 4.43Å; L10-I41 HydrophobicContact CB-CG1 3.93Å; L10-I41 HydrophobicContact CD1-CG1 4.26Å
11A97.1Very high93.1Very high0 Ų078.4 Ų78.40%040%0.395CS..Hα-helixtrans-57.6-43.7175.900000112.5Q7 A13 V14 M15 V22 I41 I50Q7-A11 WeakPolarHBondContact O-CB 3.39Å; Q7-A11 PolarHBondContact O-N 2.93Å; A11-A13 VanDerWaalsContact C-N 3.34Å; A11-A13 PolarHBondContact O-N 3.38Å; A11-V14 PolarHBondContact O-N 3.41Å; A11-M15 HydrophobicContact CB-CE 4.14Å; A11-M15 WeakPolarHBondContact O-CB 3.49Å; A11-M15 PolarHBondContact O-N 3.07Å; A11-V22 HydrophobicContact CB-CG1 3.65Å; A11-V22 HydrophobicContact CB-CG2 4.26Å; A11-I41 HydrophobicContact CB-CG2 3.97Å; A11-I50 HydrophobicContact CB-CD1 4.24Å; A11-I50 HydrophobicContact CB-CG2 3.83Å
12A97.6Very high94.8Very high10 Ų1066.6 Ų66.68%0.08334%0.337CS..Hα-helixtrans-59.1-44.5174.700000112K8 R9 L10 K16 C17 K19 V22K8-A12 WeakPolarHBondContact O-CB 3.41Å; K8-A12 PolarHBondContact O-N 3.43Å; K8-A12 VanDerWaalsContact O-N 3.13Å; R9-A12 PolarHBondContact O-N 3.17Å; L10-A12 VanDerWaalsContact C-N 3.34Å; L10-A12 PolarHBondContact O-N 2.99Å; A12-K16 PolarHBondContact O-N 2.71Å; A12-K16 VanDerWaalsContact O-N 3.15Å; A12-C17 CarbonylContact C-O 3.55Å; A12-C17 WeakPolarHBondContact CA-O 3.42Å; A12-C17 VanDerWaalsContact CB-O 3.31Å; A12-C17 WeakPolarHBondContact CB-O 3.42Å; A12-C17 PolarHBondContact O-N 3.28Å; A12-C17 VanDerWaalsContact O-O 3.06Å; A12-K19 HydrophobicContact CB-CG 4.02Å; A12-V22 HydrophobicContact CB-CG2 3.89Å
13A96.1Very high95.7Very high59 Ų5968.3 Ų68.349%0.48834%0.336SS..Hα-helixtrans-67.2-42.5177.500000112.3R9 L10 A11 K16R9-A13 PolarHBondContact O-N 3.16Å; L10-A13 WeakPolarHBondContact O-CB 3.43Å; L10-A13 PolarHBondContact O-N 3.41Å; L10-A13 VanDerWaalsContact O-N 3.12Å; A11-A13 VanDerWaalsContact C-N 3.34Å; A11-A13 PolarHBondContact O-N 3.38Å; A13-K16 PolarHBondContact O-N 2.93Å
14V96.3Very high96Very high35 Ų3564.2 Ų64.221%0.21231%0.314CS..Hα-helixtrans-66.1-45.7179.6168.90000111.5L10 A11 K16 R38 I41 R42L10-V14 WeakPolarHBondContact O-CB 3.49Å; L10-V14 VanDerWaalsContact O-CG2 3.32Å; L10-V14 WeakPolarHBondContact O-CG2 3.41Å; L10-V14 PolarHBondContact O-N 2.92Å; A11-V14 PolarHBondContact O-N 3.41Å; V14-K16 VanDerWaalsContact C-N 3.28Å; V14-K16 PolarHBondContact O-N 3.36Å; V14-R38 HydrophobicContact CG2-CB 4.07Å; V14-R38 HydrophobicContact CG2-CG 4.16Å; V14-I41 HydrophobicContact CB-CG2 4.17Å; V14-I41 HydrophobicContact CG1-CG2 4.43Å; V14-I41 HydrophobicContact CG2-CB 4.49Å; V14-I41 HydrophobicContact CG2-CG2 4.03Å; V14-R42 HydrophobicContact CG1-CG 3.49Å; V14-R42 VanDerWaalsContact CG1-CG 3.49Å
15M95.4Very high96.1Very high24 Ų2463.8 Ų63.812%0.11831%0.312CS..THydrogen-bonded Turntrans-84.83.8-178.7-66.5-169.3-70.500114.5A11 C17 V22 V45 I50 K52A11-M15 HydrophobicContact CB-CE 4.14Å; A11-M15 WeakPolarHBondContact O-CB 3.49Å; A11-M15 PolarHBondContact O-N 3.07Å; M15-C17 VanDerWaalsContact C-N 3.29Å; M15-C17 PolarHBondContact O-N 3.35Å; M15-V22 HydrophobicContact CE-CB 4.21Å; M15-V22 HydrophobicContact CE-CG1 3.94Å; M15-V22 HydrophobicContact CE-CG2 3.77Å; M15-V45 HydrophobicContact CG-CG1 4.18Å; M15-V45 HydrophobicContact CG-CG2 3.93Å; M15-V45 HydrophobicContact SD-CG1 4.04Å; M15-V45 HydrophobicContact SD-CG2 3.83Å; M15-I50 HydrophobicContact CE-CG2 3.61Å; M15-I50 HydrophobicContact SD-CG2 4.28Å; M15-K52 PolarHBondContact O-NZ 3.47Å; M15-K52 HydrophobicContact SD-CB 3.89Å
16K96.2Very high96Very high192 Ų19258.6 Ų58.684%0.83530%0.304SS*.THydrogen-bonded Turntrans4949.2-177.1-57179.2-178.4178.60111.7A12 A13 V14A12-K16 PolarHBondContact O-N 2.71Å; A12-K16 VanDerWaalsContact O-N 3.15Å; A13-K16 PolarHBondContact O-N 2.93Å; V14-K16 VanDerWaalsContact C-N 3.28Å; V14-K16 PolarHBondContact O-N 3.36Å
17C95.9Very high96Very high24 Ų2461.9 Ų61.916%0.16232%0.322CS..SBendtrans-139164179.7700000111.3A12 M15 K21 K52A12-C17 CarbonylContact C-O 3.55Å; A12-C17 WeakPolarHBondContact CA-O 3.42Å; A12-C17 VanDerWaalsContact CB-O 3.31Å; A12-C17 WeakPolarHBondContact CB-O 3.42Å; A12-C17 PolarHBondContact O-N 3.28Å; A12-C17 VanDerWaalsContact O-O 3.06Å; M15-C17 VanDerWaalsContact C-N 3.29Å; M15-C17 PolarHBondContact O-N 3.35Å; C17-K21 HydrophobicContact CB-CB 4.12Å; C17-K52 HydrophobicContact CB-CD 4.39Å
18G95Very high95.9Very high48 Ų4865.7 Ų65.750%0.49534%0.34SS..  trans-71.3154.3174.300000111.8N20 K21G18-N20 PolarHBondContact O-N 2.94Å; G18-K21 PolarHBondContact O-N 2.9Å
19K96.2Very high95.7Very high111 Ų11163 Ų6348%0.48333%0.333SS..G310 helixtrans-52.2-29.4177.1-64.9179.6-177.5175.90113.3K8 A12 K21 V22K8-K19 WeakPolarHBondContact CE-O 3.33Å; K8-K19 HydrophobicContact CG-CB 4.47Å; A12-K19 HydrophobicContact CB-CG 4.02Å; K19-K21 PolarHBondContact O-N 3.45Å; K19-V22 PolarHBondContact O-N 2.92Å
20N95.1Very high95.5Very high146 Ų14663.4 Ų63.478%0.78134%0.344SS*.G310 helixtrans-67.2-20177.3-65.3-7.7000113.6G18G18-N20 PolarHBondContact O-N 2.94Å
21K96.4Very high95.3Very high62 Ų6267.6 Ų67.627%0.2736%0.363SS..G310 helixtrans-97.2-3.1177.2-64.9-57.7-175.8-171.50113.6C17 G18 K19 K52 K53 P54C17-K21 HydrophobicContact CB-CB 4.12Å; G18-K21 PolarHBondContact O-N 2.9Å; K19-K21 PolarHBondContact O-N 3.45Å; K21-K52 CarbonylContact O-C 3.34Å; K21-K52 WeakPolarHBondContact O-CA 3.36Å; K21-K53 HydrophobicContact CD-CB 4.29Å; K21-K53 PolarHBondContact O-N 3.39Å; K21-P54 PolarHBondContact NZ-O 2.92Å
22V96.9Very high95.2Very high1 Ų167.6 Ų67.61%0.00636%0.363CS..EExtended strand (participates in β ladder)trans-86.3121.4173.5-175.90000108.6K8 A11 A12 M15 K19 L24 I50K8-V22 HydrophobicContact CG-CB 4.18Å; K8-V22 HydrophobicContact CG-CG1 4.23Å; A11-V22 HydrophobicContact CB-CG1 3.65Å; A11-V22 HydrophobicContact CB-CG2 4.26Å; A12-V22 HydrophobicContact CB-CG2 3.89Å; M15-V22 HydrophobicContact CE-CB 4.21Å; M15-V22 HydrophobicContact CE-CG1 3.94Å; M15-V22 HydrophobicContact CE-CG2 3.77Å; K19-V22 PolarHBondContact O-N 2.92Å; V22-L24 HydrophobicContact CG1-CD2 3.91Å; V22-L24 HydrophobicContact CG1-CG 4.33Å; V22-I50 HydrophobicContact CG1-CG2 3.89Å
23W96.4Very high95.1Very high85 Ų8568.9 Ų68.932%0.32237%0.372SS..EExtended strand (participates in β ladder)trans-100.6135.3163-17477.9000108.5D25 I50 I51 K53W23-D25 HydrophobicContact CH2-CB 3.73Å; W23-D25 HydrophobicContact CZ3-CB 3.79Å; W23-I50 WeakPolarHBondContact O-CA 3.36Å; W23-I51 HydrophobicContact CB-CB 4.32Å; W23-I51 WeakPolarHBondContact CB-O 3.33Å; W23-I51 HydrophobicContact CE3-CB 3.92Å; W23-I51 HydrophobicContact CE3-CD1 3.7Å; W23-I51 HydrophobicContact CE3-CG1 3.75Å; W23-I51 HydrophobicContact CZ3-CD1 3.67Å; W23-I51 HydrophobicContact CZ3-CG1 4.06Å; W23-I51 PolarHBondContact N-O 3.24Å; W23-I51 PolarHBondContact O-N 2.95Å; W23-K53 HydrophobicContact CB-CD 4.32Å; W23-K53 VanDerWaalsContact CB-CE 3.49Å; W23-K53 HydrophobicContact CB-CG 3.83Å
24L95.9Very high94.9Very high28 Ų2871.3 Ų71.315%0.14738%0.377CS..EExtended strand (participates in β ladder)trans-115.5132.5173.1-60.2178.9000105.7L4 K8 V22 P26 I32 I50L4-L24 HydrophobicContact CB-CD1 3.82Å; L4-L24 HydrophobicContact CD1-CD1 4.04Å; K8-L24 HydrophobicContact CB-CD1 4.14Å; V22-L24 HydrophobicContact CG1-CD2 3.91Å; V22-L24 HydrophobicContact CG1-CG 4.33Å; L24-P26 WeakPolarHBondContact O-CD 3.45Å; L24-I32 HydrophobicContact CB-CD1 4.05Å; L24-I32 HydrophobicContact CD2-CG2 4.26Å; L24-I50 HydrophobicContact CD2-CB 4.4Å; L24-I50 HydrophobicContact CD2-CD1 3.8Å; L24-I50 HydrophobicContact CD2-CG1 3.67Å; L24-I50 HydrophobicContact CD2-CG2 4.1Å
25D95.2Very high94.8Very high29 Ų2969.9 Ų69.916%0.15537%0.368CS..  trans-63.1121.7177.4-163.4-36.7000110.4W23 N27 E28 I32 L49W23-D25 HydrophobicContact CH2-CB 3.73Å; W23-D25 HydrophobicContact CZ3-CB 3.79Å; D25-N27 VanDerWaalsContact C-N 3.29Å; D25-N27 PolarHBondContact O-N 2.94Å; D25-N27 WeakPolarHBondContact OD1-CB 3.28Å; D25-N27 PolarHBondContact OD1-N 3.31Å; D25-E28 HydrophobicContact CB-CB 4.29Å; D25-I32 HydrophobicContact CB-CD1 4.27Å; D25-L49 PolarHBondContact N-O 3.42Å
26P94.5Very high94.7Very high91 Ų9174 Ų7459%0.59139%0.391SS*.SBendtrans-69.6-23.3177.729.1-35.5000113.7L24L24-P26 WeakPolarHBondContact O-CD 3.45Å
27N93.8Very high94.7Very high137 Ų13767.1 Ų67.173%0.73337%0.366SS*.THydrogen-bonded Turntrans-78.7-35.5-179.1-61.2-31.3000111.2D25 A29D25-N27 VanDerWaalsContact C-N 3.29Å; D25-N27 PolarHBondContact O-N 2.94Å; D25-N27 WeakPolarHBondContact OD1-CB 3.28Å; D25-N27 PolarHBondContact OD1-N 3.31Å; N27-A29 VanDerWaalsContact C-N 3.31Å; N27-A29 PolarHBondContact O-N 3.37Å
28E93.4Very high94.7Very high88 Ų8872.6 Ų72.641%0.41138%0.384SS..THydrogen-bonded Turntrans-96.232.4-179.9-59.9-57.2151.600112.7D25 N30 E31 I32 L49D25-E28 HydrophobicContact CB-CB 4.29Å; E28-N30 PolarHBondContact O-N 3.48Å; E28-E31 HydrophobicContact CB-CB 4.38Å; E28-E31 PolarHBondContact O-N 3.27Å; E28-I32 VanDerWaalsContact O-CG1 3.32Å; E28-I32 WeakPolarHBondContact O-CG1 3.39Å; E28-I32 PolarHBondContact O-N 3.45Å; E28-L49 HydrophobicContact CB-CD1 4.17Å; E28-L49 HydrophobicContact CB-CD2 4.01Å; E28-L49 HydrophobicContact CG-CD1 4.34Å; E28-L49 HydrophobicContact CG-CD2 3.63Å
29A93.8Very high94.8Very high24 Ų2474.8 Ų74.820%0.19838%0.381CS..Hα-helixtrans-60.6-31-176.600000113.1L4 N27 S33L4-A29 HydrophobicContact CD1-CB 4.49Å; N27-A29 VanDerWaalsContact C-N 3.31Å; N27-A29 PolarHBondContact O-N 3.37Å; A29-S33 VanDerWaalsContact O-CB 3.29Å; A29-S33 WeakPolarHBondContact O-CB 3.41Å; A29-S33 PolarHBondContact O-N 2.93Å
30N92Very high94.8Very high127 Ų12773 Ų7368%0.67938%0.377SS*.Hα-helixtrans-71.6-46.9177.7-68.8-24.1000111.4E28 I32 S33 N34E28-N30 PolarHBondContact O-N 3.48Å; N30-I32 PolarHBondContact O-N 3.08Å; N30-S33 WeakPolarHBondContact O-CB 3.5Å; N30-S33 PolarHBondContact O-N 3.03Å; N30-S33 VanDerWaalsContact O-N 3.15Å; N30-N34 PolarHBondContact O-N 2.97Å; N30-N34 PolarHBondContact O-ND2 3.48Å
31E92.7Very high94.9Very high99 Ų9966 Ų6646%0.46334%0.339SS..Hα-helixtrans-61.7-44.8177.6-17558-155.300111.4E28 S33 N34 L44 L49E28-E31 HydrophobicContact CB-CB 4.38Å; E28-E31 PolarHBondContact O-N 3.27Å; E31-S33 VanDerWaalsContact C-N 3.3Å; E31-S33 PolarHBondContact O-N 3.05Å; E31-N34 PolarHBondContact O-N 2.89Å; E31-L44 HydrophobicContact CG-CD2 4.07Å; E31-L49 HydrophobicContact CG-CD1 4.01Å
32I95Very high94.9Very high0 Ų068.9 Ų68.90%035%0.349CS..Hα-helixtrans-62-40.2175.8-63.7171.8000110.6L4 Q7 L24 D25 E28 N30 N34 A35 L44 L49L4-I32 HydrophobicContact CD1-CG2 4.36Å; L4-I32 HydrophobicContact CD2-CG2 4.18Å; Q7-I32 HydrophobicContact CB-CG2 3.99Å; Q7-I32 HydrophobicContact CG-CG2 4Å; Q7-I32 VanDerWaalsContact CG-O 3.26Å; Q7-I32 WeakPolarHBondContact CG-O 3.44Å; L24-I32 HydrophobicContact CB-CD1 4.05Å; L24-I32 HydrophobicContact CD2-CG2 4.26Å; D25-I32 HydrophobicContact CB-CD1 4.27Å; E28-I32 VanDerWaalsContact O-CG1 3.32Å; E28-I32 WeakPolarHBondContact O-CG1 3.39Å; E28-I32 PolarHBondContact O-N 3.45Å; N30-I32 PolarHBondContact O-N 3.08Å; I32-N34 PolarHBondContact O-N 3.36Å; I32-A35 WeakPolarHBondContact O-CB 3.47Å; I32-A35 PolarHBondContact O-N 3.05Å; I32-A35 VanDerWaalsContact O-N 3.11Å; I32-L44 HydrophobicContact CB-CD1 4.46Å; I32-L44 HydrophobicContact CG1-CD1 4.26Å; I32-L49 HydrophobicContact CG1-CB 4.48Å
33S94.5Very high94.9Very high37 Ų3773.2 Ų73.226%0.25937%0.368SS..Hα-helixtrans-60-33179.9-1690000112.7Q7 A29 N30 E31 A35Q7-S33 PolarHBondContact NE2-O 3Å; A29-S33 VanDerWaalsContact O-CB 3.29Å; A29-S33 WeakPolarHBondContact O-CB 3.41Å; A29-S33 PolarHBondContact O-N 2.93Å; N30-S33 WeakPolarHBondContact O-CB 3.5Å; N30-S33 PolarHBondContact O-N 3.03Å; N30-S33 VanDerWaalsContact O-N 3.15Å; E31-S33 VanDerWaalsContact C-N 3.3Å; E31-S33 PolarHBondContact O-N 3.05Å; S33-A35 VanDerWaalsContact C-N 3.26Å; S33-A35 PolarHBondContact O-N 3.47Å
34N93.2Very high94.9Very high110 Ų11069.4 Ų69.459%0.58836%0.355SS*.Hα-helixtrans-74-13.2179.6-66.3-25.4000113.5N30 E31 I32 N36N30-N34 PolarHBondContact O-N 2.97Å; N30-N34 PolarHBondContact O-ND2 3.48Å; E31-N34 PolarHBondContact O-N 2.89Å; I32-N34 PolarHBondContact O-N 3.36Å; N34-N36 PolarHBondContact O-N 3.08Å; N34-N36 VanDerWaalsContact O-N 3.12Å
35A93.8Very high94.9Very high4 Ų470.2 Ų70.23%0.03336%0.36CS..  trans-82.290-178.800000113.6I32 S33 N40 I41 L44I32-A35 WeakPolarHBondContact O-CB 3.47Å; I32-A35 PolarHBondContact O-N 3.05Å; I32-A35 VanDerWaalsContact O-N 3.11Å; S33-A35 VanDerWaalsContact C-N 3.26Å; S33-A35 PolarHBondContact O-N 3.47Å; A35-N40 HydrophobicContact CB-CB 3.75Å; A35-I41 HydrophobicContact CB-CD1 4Å; A35-I41 HydrophobicContact CB-CG1 4.45Å; A35-L44 HydrophobicContact CB-CD1 3.39Å; A35-L44 HydrophobicContact CB-CG 4.4Å
36N93.5Very high95Very high112 Ų11277.2 Ų77.260%0.59939%0.389SS*.  trans-92.1-13.7-178.3-64.6-35.5000114.7N34N34-N36 PolarHBondContact O-N 3.08Å; N34-N36 VanDerWaalsContact O-N 3.12Å
37S95.3Very high95Very high46 Ų4678 Ų7832%0.32239%0.389SS..SBendtrans-108.2154-177.688.70000112Q39 N40 I41S37-Q39 PolarHBondContact O-N 3.33Å; S37-Q39 PolarHBondContact OG-N 3.01Å; S37-N40 PolarHBondContact O-N 2.92Å; S37-N40 VanDerWaalsContact OG-CG 3.26Å; S37-N40 PolarHBondContact OG-N 3.29Å; S37-N40 PolarHBondContact OG-OD1 2.87Å; S37-I41 WeakPolarHBondContact O-CG1 3.42Å; S37-I41 PolarHBondContact O-N 3.14Å; S37-I41 VanDerWaalsContact O-N 3.14Å
38R96.5Very high95.1Very high140 Ų14073.1 Ų73.153%0.52837%0.37SS..Hα-helixtrans-61.1-28.3171.4-72.3-176.217795.5-6.5112.1L10 V14 R42L10-R38 HydrophobicContact CD2-CG 4.09Å; V14-R38 HydrophobicContact CG2-CB 4.07Å; V14-R38 HydrophobicContact CG2-CG 4.16Å; R38-R42 WeakPolarHBondContact O-CG 3.46Å; R38-R42 PolarHBondContact O-N 2.91Å; R38-R42 VanDerWaalsContact O-N 3.12Å
39Q96.6Very high95.2Very high93 Ų9370.4 Ų70.444%0.43536%0.359SS..Hα-helixtrans-69.1-45.8178.2-174.960.516.700111S37 I41 R42 H43S37-Q39 PolarHBondContact O-N 3.33Å; S37-Q39 PolarHBondContact OG-N 3.01Å; Q39-I41 VanDerWaalsContact C-N 3.3Å; Q39-I41 PolarHBondContact O-N 3.21Å; Q39-R42 WeakPolarHBondContact O-CB 3.31Å; Q39-R42 PolarHBondContact O-N 2.87Å; Q39-H43 PolarHBondContact NE2-NE2 3.44Å; Q39-H43 VanDerWaalsContact NE2-NE2 3.14Å; Q39-H43 PolarHBondContact O-CD2 2.85Å; Q39-H43 PolarHBondContact O-N 3.11Å; Q39-H43 VanDerWaalsContact O-N 3.12Å
40N96.3Very high95.3Very high73 Ų7369.3 Ų69.339%0.3935%0.35SS..Hα-helixtrans-62.7-41177.1-61.517000110.5A35 S37 R42 H43 L44A35-N40 HydrophobicContact CB-CB 3.75Å; S37-N40 PolarHBondContact O-N 2.92Å; S37-N40 VanDerWaalsContact OG-CG 3.26Å; S37-N40 PolarHBondContact OG-N 3.29Å; S37-N40 PolarHBondContact OG-OD1 2.87Å; N40-R42 VanDerWaalsContact C-N 3.27Å; N40-R42 PolarHBondContact O-N 3.36Å; N40-H43 WeakPolarHBondContact O-CB 3.46Å; N40-H43 PolarHBondContact O-N 3.33Å; N40-H43 VanDerWaalsContact O-N 3.07Å; N40-L44 WeakPolarHBondContact O-CG 3.35Å; N40-L44 PolarHBondContact O-N 3.01Å
41I97Very high95.5Very high0 Ų067 Ų670%034%0.336CS..Hα-helixtrans-60.3-35174-64.5-71.1000112Q7 L10 A11 V14 A35 S37 Q39 L44 V45 I50Q7-I41 HydrophobicContact CB-CD1 4.04Å; Q7-I41 HydrophobicContact CG-CD1 4.18Å; L10-I41 HydrophobicContact CB-CD1 4.43Å; L10-I41 HydrophobicContact CB-CG1 3.93Å; L10-I41 HydrophobicContact CD1-CG1 4.26Å; A11-I41 HydrophobicContact CB-CG2 3.97Å; V14-I41 HydrophobicContact CB-CG2 4.17Å; V14-I41 HydrophobicContact CG1-CG2 4.43Å; V14-I41 HydrophobicContact CG2-CB 4.49Å; V14-I41 HydrophobicContact CG2-CG2 4.03Å; A35-I41 HydrophobicContact CB-CD1 4Å; A35-I41 HydrophobicContact CB-CG1 4.45Å; S37-I41 WeakPolarHBondContact O-CG1 3.42Å; S37-I41 PolarHBondContact O-N 3.14Å; S37-I41 VanDerWaalsContact O-N 3.14Å; Q39-I41 VanDerWaalsContact C-N 3.3Å; Q39-I41 PolarHBondContact O-N 3.21Å; I41-L44 HydrophobicContact CD1-CD1 4.39Å; I41-V45 VanDerWaalsContact O-CG2 3.22Å; I41-V45 WeakPolarHBondContact O-CG2 3.39Å; I41-V45 PolarHBondContact O-N 3.34Å; I41-I50 HydrophobicContact CD1-CD1 3.9Å; I41-I50 HydrophobicContact CG2-CD1 4.28Å
42R97Very high95.6Very high123 Ų12367.8 Ų67.846%0.46434%0.338SS..Hα-helixtrans-66.7-38.4173.8-71.6174.8-164.5120.6-1.5112V14 R38 Q39 N40 V45 K46V14-R42 HydrophobicContact CG1-CG 3.49Å; V14-R42 VanDerWaalsContact CG1-CG 3.49Å; R38-R42 WeakPolarHBondContact O-CG 3.46Å; R38-R42 PolarHBondContact O-N 2.91Å; R38-R42 VanDerWaalsContact O-N 3.12Å; Q39-R42 WeakPolarHBondContact O-CB 3.31Å; Q39-R42 PolarHBondContact O-N 2.87Å; N40-R42 VanDerWaalsContact C-N 3.27Å; N40-R42 PolarHBondContact O-N 3.36Å; R42-V45 PolarHBondContact O-N 2.96Å; R42-K46 PolarHBondContact O-N 2.88Å
43H96.7Very high95.7Very high91 Ų9172 Ų7242%0.42136%0.357SS..Hα-helixtrans-62.7-50.8174.2-71.9-70.1000110.8Q39 N40 V45 K46 D47Q39-H43 PolarHBondContact NE2-NE2 3.44Å; Q39-H43 VanDerWaalsContact NE2-NE2 3.14Å; Q39-H43 PolarHBondContact O-CD2 2.85Å; Q39-H43 PolarHBondContact O-N 3.11Å; Q39-H43 VanDerWaalsContact O-N 3.12Å; N40-H43 WeakPolarHBondContact O-CB 3.46Å; N40-H43 PolarHBondContact O-N 3.33Å; N40-H43 VanDerWaalsContact O-N 3.07Å; H43-V45 VanDerWaalsContact C-N 3.25Å; H43-V45 PolarHBondContact O-N 3.48Å; H43-V45 VanDerWaalsContact O-N 3.16Å; H43-K46 CarbonylContact O-C 3.58Å; H43-K46 WeakPolarHBondContact O-CA 3.41Å; H43-K46 VanDerWaalsContact O-CB 3.29Å; H43-K46 WeakPolarHBondContact O-CB 3.44Å; H43-K46 PolarHBondContact O-N 3.16Å; H43-D47 VanDerWaalsContact O-CG 3.25Å; H43-D47 PolarHBondContact O-N 2.98Å
44L96.2Very high95.7Very high6 Ų675.6 Ų75.63%0.03138%0.379CS..Hα-helixtrans-58.7-32.8176.7-64.3177.3000114E31 I32 A35 N40 I41 G48 L49 I50E31-L44 HydrophobicContact CG-CD2 4.07Å; I32-L44 HydrophobicContact CB-CD1 4.46Å; I32-L44 HydrophobicContact CG1-CD1 4.26Å; A35-L44 HydrophobicContact CB-CD1 3.39Å; A35-L44 HydrophobicContact CB-CG 4.4Å; N40-L44 WeakPolarHBondContact O-CG 3.35Å; N40-L44 PolarHBondContact O-N 3.01Å; I41-L44 HydrophobicContact CD1-CD1 4.39Å; L44-G48 PolarHBondContact O-N 2.98Å; L44-L49 HydrophobicContact CB-CB 4.42Å; L44-L49 HydrophobicContact CD2-CB 4.32Å; L44-L49 HydrophobicContact CD2-CD1 3.64Å; L44-L49 HydrophobicContact CD2-CG 4.48Å; L44-L49 PolarHBondContact O-N 3.15Å; L44-I50 HydrophobicContact CB-CD1 3.85Å; L44-I50 HydrophobicContact CB-CG1 3.95Å; L44-I50 HydrophobicContact CD1-CD1 3.97Å; L44-I50 PolarHBondContact O-N 3.43Å; L44-I50 VanDerWaalsContact O-N 3.17Å
45V96.5Very high95.8Very high44 Ų4475.8 Ų75.827%0.26738%0.384SS..Hα-helixtrans-69.8-37.3172.9170.30000111.5M15 I41 R42 H43 G48 I50M15-V45 HydrophobicContact CG-CG1 4.18Å; M15-V45 HydrophobicContact CG-CG2 3.93Å; M15-V45 HydrophobicContact SD-CG1 4.04Å; M15-V45 HydrophobicContact SD-CG2 3.83Å; I41-V45 VanDerWaalsContact O-CG2 3.22Å; I41-V45 WeakPolarHBondContact O-CG2 3.39Å; I41-V45 PolarHBondContact O-N 3.34Å; R42-V45 PolarHBondContact O-N 2.96Å; H43-V45 VanDerWaalsContact C-N 3.25Å; H43-V45 PolarHBondContact O-N 3.48Å; H43-V45 VanDerWaalsContact O-N 3.16Å; V45-G48 PolarHBondContact O-N 3.02Å; V45-I50 HydrophobicContact CG2-CB 3.73Å; V45-I50 HydrophobicContact CG2-CG2 3.73Å
46K96.4Very high95.8Very high176 Ų17679.8 Ų79.877%0.76542%0.417SS*.Hα-helixtrans-68.5-39.1177.1-172.9-175.5176.3-170.80111.4R42 H43 G48R42-K46 PolarHBondContact O-N 2.88Å; H43-K46 CarbonylContact O-C 3.58Å; H43-K46 WeakPolarHBondContact O-CA 3.41Å; H43-K46 VanDerWaalsContact O-CB 3.29Å; H43-K46 WeakPolarHBondContact O-CB 3.44Å; H43-K46 PolarHBondContact O-N 3.16Å; K46-G48 PolarHBondContact O-N 2.81Å
47D95.5Very high95.9Very high109 Ų10980.8 Ų80.858%0.58343%0.427SS*.THydrogen-bonded Turntrans-78.5-10.3-179.1-56-24000112.4H43H43-D47 VanDerWaalsContact O-CG 3.25Å; H43-D47 PolarHBondContact O-N 2.98Å
48G95Very high96Very high33 Ų3386.5 Ų86.534%0.3445%0.448SS..THydrogen-bonded Turntrans89.72.3175.700000115.1L44 V45 K46 I50 I51L44-G48 PolarHBondContact O-N 2.98Å; V45-G48 PolarHBondContact O-N 3.02Å; K46-G48 PolarHBondContact O-N 2.81Å; G48-I50 VanDerWaalsContact C-N 3.26Å; G48-I50 PolarHBondContact O-N 3.34Å; G48-I51 WeakPolarHBondContact O-CD1 3.28Å; G48-I51 WeakPolarHBondContact O-CG1 3.47Å
49L94.9Very high96Very high32 Ų3283.1 Ų83.117%0.16845%0.446CS..SBendtrans-71-23.5175.8-58.7-173.8000112.8D25 E28 E31 I32 L44D25-L49 PolarHBondContact N-O 3.42Å; E28-L49 HydrophobicContact CB-CD1 4.17Å; E28-L49 HydrophobicContact CB-CD2 4.01Å; E28-L49 HydrophobicContact CG-CD1 4.34Å; E28-L49 HydrophobicContact CG-CD2 3.63Å; E31-L49 HydrophobicContact CG-CD1 4.01Å; I32-L49 HydrophobicContact CG1-CB 4.48Å; L44-L49 HydrophobicContact CB-CB 4.42Å; L44-L49 HydrophobicContact CD2-CB 4.32Å; L44-L49 HydrophobicContact CD2-CD1 3.64Å; L44-L49 HydrophobicContact CD2-CG 4.48Å; L44-L49 PolarHBondContact O-N 3.15Å
50I96.2Very high96Very high1 Ų186 Ų861%0.00545%0.453CS..EExtended strand (participates in β ladder)trans-121.8113172.6-58.4-176.7000109.3A11 M15 V22 W23 L24 I41 L44 V45 G48A11-I50 HydrophobicContact CB-CD1 4.24Å; A11-I50 HydrophobicContact CB-CG2 3.83Å; M15-I50 HydrophobicContact CE-CG2 3.61Å; M15-I50 HydrophobicContact SD-CG2 4.28Å; V22-I50 HydrophobicContact CG1-CG2 3.89Å; W23-I50 WeakPolarHBondContact O-CA 3.36Å; L24-I50 HydrophobicContact CD2-CB 4.4Å; L24-I50 HydrophobicContact CD2-CD1 3.8Å; L24-I50 HydrophobicContact CD2-CG1 3.67Å; L24-I50 HydrophobicContact CD2-CG2 4.1Å; I41-I50 HydrophobicContact CD1-CD1 3.9Å; I41-I50 HydrophobicContact CG2-CD1 4.28Å; L44-I50 HydrophobicContact CB-CD1 3.85Å; L44-I50 HydrophobicContact CB-CG1 3.95Å; L44-I50 HydrophobicContact CD1-CD1 3.97Å; L44-I50 PolarHBondContact O-N 3.43Å; L44-I50 VanDerWaalsContact O-N 3.17Å; V45-I50 HydrophobicContact CG2-CB 3.73Å; V45-I50 HydrophobicContact CG2-CG2 3.73Å; G48-I50 VanDerWaalsContact C-N 3.26Å; G48-I50 PolarHBondContact O-N 3.34Å
51I96.3Very high96Very high79 Ų7985.6 Ų85.641%0.40546%0.456SS..EExtended strand (participates in β ladder)trans-111.4137.6-175-56.1177.1000110.9W23 G48 K53W23-I51 HydrophobicContact CB-CB 4.32Å; W23-I51 WeakPolarHBondContact CB-O 3.33Å; W23-I51 HydrophobicContact CE3-CB 3.92Å; W23-I51 HydrophobicContact CE3-CD1 3.7Å; W23-I51 HydrophobicContact CE3-CG1 3.75Å; W23-I51 HydrophobicContact CZ3-CD1 3.67Å; W23-I51 HydrophobicContact CZ3-CG1 4.06Å; W23-I51 PolarHBondContact N-O 3.24Å; W23-I51 PolarHBondContact O-N 2.95Å; G48-I51 WeakPolarHBondContact O-CD1 3.28Å; G48-I51 WeakPolarHBondContact O-CG1 3.47Å; I51-K53 PolarHBondContact O-N 3.05Å
52K96.2Very high96.1Very high114 Ų11495.6 Ų95.650%0.49649%0.493SS..EExtended strand (participates in β ladder)trans-77.8103.3166.4-173.4171.4-177.7164.10109.5M15 C17 K21M15-K52 PolarHBondContact O-NZ 3.47Å; M15-K52 HydrophobicContact SD-CB 3.89Å; C17-K52 HydrophobicContact CB-CD 4.39Å; K21-K52 CarbonylContact O-C 3.34Å; K21-K52 WeakPolarHBondContact O-CA 3.36Å
53K95.7Very high96.1Very high90 Ų9092.2 Ų92.239%0.39149%0.492SS..PPolyproline II helixtrans-54.1137.8174.6-61.6-173.8-178-173.30110K21 W23 I51K21-K53 HydrophobicContact CD-CB 4.29Å; K21-K53 PolarHBondContact O-N 3.39Å; W23-K53 HydrophobicContact CB-CD 4.32Å; W23-K53 VanDerWaalsContact CB-CE 3.49Å; W23-K53 HydrophobicContact CB-CG 3.83Å; I51-K53 PolarHBondContact O-N 3.05Å
54P95.5Very high96.2Very high111 Ų11196 Ų9672%0.72150%0.503SS*.PPolyproline II helixtrans-60157.4175.324.7-33.1000111.4K21K21-P54 PolarHBondContact NZ-O 2.92Å
55V94.8Very high96.3Very high115 Ų115103.5 Ų103.570%0.69754%0.535SS*.PPolyproline II helixtrans-66.4142.7172.5-670000109.6V57V55-V57 PolarHBondContact O-N 3.42Å
56A94Very high96.3Very high87 Ų87107.1 Ų107.172%0.71955%0.547SS*.PPolyproline II helixtrans-67.7123174.500000107.7H58A56-H58 PolarHBondContact O-N 3.22Å
57V95.2Very high96.4Very high134 Ų134104.7 Ų104.781%0.81254%0.536SS*.PPolyproline II helixtrans-72.7116.2-173.2179.80000109.8V55V55-V57 PolarHBondContact O-N 3.42Å
58H97.2Very high96.5Very high165 Ų165104 Ų10476%0.76453%0.53SS*.  trans-97.591.9169.5-175.5-141.6000110.4A56 R60A56-H58 PolarHBondContact O-N 3.22Å; H58-R60 PolarHBondContact O-N 3.16Å
59S96.5Very high96.7Very high70 Ų70103.7 Ų103.749%0.4952%0.524SS..  trans-65.8132.7-177.4-177.50000112.7S61S59-S61 PolarHBondContact OG-N 3.16Å; S59-S61 PolarHBondContact OG-OG 2.96Å
60R97.1Very high96.8Very high153 Ų153107 Ų10758%0.57754%0.537SS*.  trans-95.26.4175.9-63.9-174.866.387.6-1.9113.7H58 R62 A63 R64H58-R60 PolarHBondContact O-N 3.16Å; R60-R62 PolarHBondContact O-N 3.38Å; R60-A63 PolarHBondContact O-N 3Å; R60-R64 WeakPolarHBondContact O-CG 3.23Å; R60-R64 PolarHBondContact O-N 3.28Å
61S97.2Very high96.8Very high65 Ų65116.1 Ų116.146%0.45557%0.571SS.*Hα-helixtrans-54.3-50.6-176.161.30000112.4S59 A63 R64 K65S59-S61 PolarHBondContact OG-N 3.16Å; S59-S61 PolarHBondContact OG-OG 2.96Å; S61-A63 PolarHBondContact O-N 3.36Å; S61-R64 PolarHBondContact O-N 2.99Å; S61-K65 PolarHBondContact O-N 3.44Å
62R97.8Very high96.9Very high209 Ų209119.2 Ų119.279%0.78958%0.582SS**Hα-helixtrans-60.8-41.8177.7-66.7-174.4-74.6177.6-3.7112.5R60 K65 K66R60-R62 PolarHBondContact O-N 3.38Å; R62-K65 PolarHBondContact O-N 3.37Å; R62-K66 WeakPolarHBondContact O-CB 3.46Å; R62-K66 PolarHBondContact O-N 2.86Å
63A97.8Very high96.9Very high52 Ų52115.8 Ų115.843%0.4358%0.578SS.*Hα-helixtrans-65.5-38.3177.200000112.2R60 S61 K67R60-A63 PolarHBondContact O-N 3Å; S61-A63 PolarHBondContact O-N 3.36Å; A63-K67 WeakPolarHBondContact O-CB 3.46Å; A63-K67 PolarHBondContact O-N 2.64Å
64R97.9Very high97Very high172 Ų172119.7 Ų119.765%0.64959%0.591SS**Hα-helixtrans-66.3-48.3174.9-69.3177.2-170.7141.6-0.1111.5R60 S61 K66 K67 E68R60-R64 WeakPolarHBondContact O-CG 3.23Å; R60-R64 PolarHBondContact O-N 3.28Å; S61-R64 PolarHBondContact O-N 2.99Å; R64-K66 VanDerWaalsContact C-N 3.32Å; R64-K66 PolarHBondContact O-N 2.8Å; R64-K67 WeakPolarHBondContact O-CB 3.45Å; R64-K67 PolarHBondContact O-N 3.03Å; R64-E68 PolarHBondContact O-N 3.46Å
65K98Very high97Very high163 Ų163119.2 Ų119.271%0.70958%0.579SS**Hα-helixtrans-54.9-46.2175.3-173174.6-177.4174.80111.5S61 R62 K67 E68 A69S61-K65 PolarHBondContact O-N 3.44Å; R62-K65 PolarHBondContact O-N 3.37Å; K65-K67 PolarHBondContact O-N 2.89Å; K65-E68 PolarHBondContact O-N 2.98Å; K65-A69 PolarHBondContact O-N 2.97Å
66K98Very high97.1Very high119 Ų119117.9 Ų117.952%0.51757%0.566SS.*Hα-helixtrans-64.7-37.6175.9-170.6173.1-174.7172.80112.9R62 R64 K70R62-K66 WeakPolarHBondContact O-CB 3.46Å; R62-K66 PolarHBondContact O-N 2.86Å; R64-K66 VanDerWaalsContact C-N 3.32Å; R64-K66 PolarHBondContact O-N 2.8Å; K66-K70 WeakPolarHBondContact O-CB 3.49Å; K66-K70 WeakPolarHBondContact O-CG 3.47Å; K66-K70 PolarHBondContact O-N 3.29Å
67K97.8Very high97.2Very high125 Ų125115.8 Ų115.854%0.54355%0.553SS.*Hα-helixtrans-65.9-39.3176.4-174.7177.5179.5179.20111.5A63 R64 K65 K70 R71A63-K67 WeakPolarHBondContact O-CB 3.46Å; A63-K67 PolarHBondContact O-N 2.64Å; R64-K67 WeakPolarHBondContact O-CB 3.45Å; R64-K67 PolarHBondContact O-N 3.03Å; K65-K67 PolarHBondContact O-N 2.89Å; K67-K70 PolarHBondContact O-N 2.94Å; K67-R71 WeakPolarHBondContact O-CG 3.47Å; K67-R71 PolarHBondContact O-N 3.44Å
68E97.8Very high97.3Very high96 Ų96116 Ų11645%0.44955%0.548SS..Hα-helixtrans-65-47.2174.9-164.8-160.6142.700111.7R64 K65 K70 R71 K72R64-E68 PolarHBondContact O-N 3.46Å; K65-E68 PolarHBondContact O-N 2.98Å; E68-K70 VanDerWaalsContact C-N 3.28Å; E68-K70 PolarHBondContact O-N 2.94Å; E68-R71 WeakPolarHBondContact O-CB 3Å; E68-R71 PolarHBondContact O-N 3.46Å; E68-K72 PolarHBondContact O-N 3.45Å; E68-K72 VanDerWaalsContact O-N 3.08Å; E68-K72 WeakPolarHBondContact OE1-CE 3.31Å; E68-K72 IonicContact OE1-NZ 3.7Å; E68-K72 PolarHBondContact OE1-NZ 2.9Å
69A98Very high97.3Very high26 Ų26111.2 Ų111.222%0.21554%0.544CS..Hα-helixtrans-57.5-41.4173.800000112K65 R71 K72 R74K65-A69 PolarHBondContact O-N 2.97Å; A69-R71 PolarHBondContact O-N 3.03Å; A69-K72 PolarHBondContact O-N 2.95Å; A69-R74 HydrophobicContact CB-CB 4.31Å; A69-R74 VanDerWaalsContact O-CB 3.26Å; A69-R74 WeakPolarHBondContact O-CB 3.27Å; A69-R74 WeakPolarHBondContact O-CG 3.45Å; A69-R74 PolarHBondContact O-N 2.9Å
70K97.8Very high97.3Very high102 Ų102114.9 Ų114.944%0.44355%0.551SS.*Hα-helixtrans-62.7-37.5173.5-78.3-176.3173.1-171.80113.1K66 K67 E68 K72 G73 R74 H75 M76K66-K70 WeakPolarHBondContact O-CB 3.49Å; K66-K70 WeakPolarHBondContact O-CG 3.47Å; K66-K70 PolarHBondContact O-N 3.29Å; K67-K70 PolarHBondContact O-N 2.94Å; E68-K70 VanDerWaalsContact C-N 3.28Å; E68-K70 PolarHBondContact O-N 2.94Å; K70-K72 VanDerWaalsContact C-N 3.29Å; K70-K72 PolarHBondContact O-N 3.38Å; K70-G73 PolarHBondContact O-N 3.47Å; K70-R74 WeakPolarHBondContact CA-O 3.46Å; K70-H75 HydrophobicContact CG-CB 4.43Å; K70-M76 VanDerWaalsContact O-CE 3.29Å; K70-M76 WeakPolarHBondContact O-CE 3.4Å
71R97.1Very high97.2Very high192 Ų192113.6 Ų113.673%0.72555%0.546SS*.Hα-helixtrans-63.8-34.9174.5-74.9174.2174173-5.1111.9K67 E68 A69 G73K67-R71 WeakPolarHBondContact O-CG 3.47Å; K67-R71 PolarHBondContact O-N 3.44Å; E68-R71 WeakPolarHBondContact O-CB 3Å; E68-R71 PolarHBondContact O-N 3.46Å; A69-R71 PolarHBondContact O-N 3.03Å; R71-G73 PolarHBondContact O-N 3.38Å
72K97.6Very high97.2Very high144 Ų144120.3 Ų120.363%0.62656%0.562SS**THydrogen-bonded Turntrans-74.65.3175.3-67.5174.2171.21660114.4E68 A69 K70E68-K72 PolarHBondContact O-N 3.45Å; E68-K72 VanDerWaalsContact O-N 3.08Å; E68-K72 WeakPolarHBondContact OE1-CE 3.31Å; E68-K72 IonicContact OE1-NZ 3.7Å; E68-K72 PolarHBondContact OE1-NZ 2.9Å; A69-K72 PolarHBondContact O-N 2.95Å; K70-K72 VanDerWaalsContact C-N 3.29Å; K70-K72 PolarHBondContact O-N 3.38Å
73G97.2Very high97.1Very high41 Ų41113.2 Ų113.242%0.42355%0.554SS.*THydrogen-bonded Turntrans99.1-11.1-179.300000115.3K70 R71K70-G73 PolarHBondContact O-N 3.47Å; R71-G73 PolarHBondContact O-N 3.38Å
74R97Very high97.1Very high172 Ų172115.4 Ų115.465%0.64956%0.562SS**THydrogen-bonded Turntrans-77.8155.1-171.6-49.1-60.1-176.2175.80.3112.2A69 K70 M76A69-R74 HydrophobicContact CB-CB 4.31Å; A69-R74 VanDerWaalsContact O-CB 3.26Å; A69-R74 WeakPolarHBondContact O-CB 3.27Å; A69-R74 WeakPolarHBondContact O-CG 3.45Å; A69-R74 PolarHBondContact O-N 2.9Å; K70-R74 WeakPolarHBondContact CA-O 3.46Å; R74-M76 VanDerWaalsContact C-N 3.26Å; R74-M76 PolarHBondContact O-N 3.29Å
75H96.5Very high97Very high102 Ų102115.9 Ų115.947%0.47257%0.568SS.*THydrogen-bonded Turntrans59.625.8-180-40.8-70.1000115.6K70 K80K70-H75 HydrophobicContact CG-CB 4.43Å; H75-K80 WeakPolarHBondContact O-CB 3.5Å
76M95.5Very high97Very high86 Ų86112.3 Ų112.342%0.42456%0.557SS.*  trans-112.95.7179.4-64.7-162.7-77.400114.6K70 R74 R81K70-M76 VanDerWaalsContact O-CE 3.29Å; K70-M76 WeakPolarHBondContact O-CE 3.4Å; R74-M76 VanDerWaalsContact C-N 3.26Å; R74-M76 PolarHBondContact O-N 3.29Å; M76-R81 PolarHBondContact O-NE 2.71Å; M76-R81 PolarHBondContact O-NH2 3.3Å; M76-R81 VanDerWaalsContact O-NH2 3.16Å
77G96Very high97Very high43 Ų43110.1 Ų110.144%0.44356%0.561SS.*SBendtrans-64.4168.8176.300000113.5G79 K80 R81G77-G79 PolarHBondContact O-N 3.09Å; G77-K80 PolarHBondContact O-N 3.16Å; G77-R81 WeakPolarHBondContact O-CG 3.35Å
78L97Very high96.9Very high138 Ų138109.7 Ų109.772%0.72356%0.556SS**G310 helixtrans-54.2-45.9-172.6-66.3174.9000112.9K80 R81L78-K80 PolarHBondContact O-N 3.18Å; L78-K80 VanDerWaalsContact O-N 3.08Å; L78-R81 WeakPolarHBondContact O-CB 3.42Å; L78-R81 PolarHBondContact O-N 3.29Å
79G97.3Very high96.9Very high65 Ų65109 Ų10967%0.6755%0.554SS**G310 helixtrans-65.6-11.6179.500000115.8G77G77-G79 PolarHBondContact O-N 3.09Å
80K96.8Very high96.9Very high148 Ų148110.2 Ų110.264%0.64356%0.56SS**G310 helixtrans-100.3-1.7174.3-60-55.7-176.8-1680112.9H75 G77 L78H75-K80 WeakPolarHBondContact O-CB 3.5Å; G77-K80 PolarHBondContact O-N 3.16Å; L78-K80 PolarHBondContact O-N 3.18Å; L78-K80 VanDerWaalsContact O-N 3.08Å
81R96.3Very high96.8Very high125 Ų125109.2 Ų109.247%0.47257%0.565SS.*  trans-87.7123.7179.6-61.4176.3-171178.32.1109M76 G77 L78M76-R81 PolarHBondContact O-NE 2.71Å; M76-R81 PolarHBondContact O-NH2 3.3Å; M76-R81 VanDerWaalsContact O-NH2 3.16Å; G77-R81 WeakPolarHBondContact O-CG 3.35Å; L78-R81 WeakPolarHBondContact O-CB 3.42Å; L78-R81 PolarHBondContact O-N 3.29Å
82R95.8Very high96.9Very high207 Ų207107.5 Ų107.578%0.78156%0.563SS**  trans-115.8146.2164.3-56.2-61.5-171.5-155.34.7107.7
83G96.2Very high96.9Very high60 Ų60103.1 Ų103.162%0.61955%0.548SS*.SBendtrans79.1158-174.200000114.4
84T97.2Very high96.8Very high98 Ų98105.2 Ų105.260%0.60155%0.549SS*.  trans-68162.2-179.967.90000111.9N86 A87 R88T84-N86 PolarHBondContact O-N 3.02Å; T84-A87 PolarHBondContact O-N 2.97Å; T84-A87 VanDerWaalsContact O-N 3.14Å; T84-A87 PolarHBondContact OG1-N 3.09Å; T84-R88 WeakPolarHBondContact O-CG 3.45Å; T84-R88 PolarHBondContact O-N 3.46Å; T84-R88 VanDerWaalsContact O-N 3.09Å
85K96.8Very high96.8Very high181 Ų181102.9 Ų102.979%0.78754%0.541SS*.Hα-helixtrans-54.2-42.6176.4-178.2-179176.6-177.10111.9R88 M89K85-R88 PolarHBondContact O-N 3.02Å; K85-M89 PolarHBondContact O-N 3.34Å
86N97.8Very high96.8Very high88 Ų88100.5 Ų100.547%0.47153%0.531SS..Hα-helixtrans-68.3-35.9179.8-167.650.6000112.3T84 M89 P90 S91T84-N86 PolarHBondContact O-N 3.02Å; N86-M89 CarbonylContact O-C 3.5Å; N86-P90 WeakPolarHBondContact O-CA 3.39Å; N86-P90 WeakPolarHBondContact O-CD 3.47Å; N86-P90 WeakPolarHBondContact O-CG 3.43Å; N86-P90 VanDerWaalsContact O-N 3.11Å; N86-P90 WeakPolarHBondContact OD1-CA 3.33Å; N86-S91 PolarHBondContact OD1-N 3.36Å
87A97.4Very high96.9Very high73 Ų73103.5 Ų103.560%0.60354%0.537SS*.Hα-helixtrans-66.5-38.3174.800000112.2T84T84-A87 PolarHBondContact O-N 2.97Å; T84-A87 VanDerWaalsContact O-N 3.14Å; T84-A87 PolarHBondContact OG1-N 3.09Å
88R96.8Very high97Very high117 Ų117104.8 Ų104.844%0.44253%0.529SS..Hα-helixtrans-73.2-39.8179.5-65.1170.160.881.53.1112.8T84 K85T84-R88 WeakPolarHBondContact O-CG 3.45Å; T84-R88 PolarHBondContact O-N 3.46Å; T84-R88 VanDerWaalsContact O-N 3.09Å; K85-R88 PolarHBondContact O-N 3.02Å
89M96.2Very high97Very high82 Ų8298.4 Ų98.440%0.40450%0.495SS..SBendtrans-148.396.9178.4-79.1-59.4-59.700109.5K85 N86 S91 L94K85-M89 PolarHBondContact O-N 3.34Å; N86-M89 CarbonylContact O-C 3.5Å; M89-S91 PolarHBondContact O-N 3.19Å; M89-L94 HydrophobicContact CE-CD2 3.93Å
90P98Very high97Very high51 Ų51103.7 Ų103.733%0.33150%0.495SS..  trans-61.5134.6-175.4-25.533.3000113N86 K92 V93 L94N86-P90 WeakPolarHBondContact O-CA 3.39Å; N86-P90 WeakPolarHBondContact O-CD 3.47Å; N86-P90 WeakPolarHBondContact O-CG 3.43Å; N86-P90 VanDerWaalsContact O-N 3.11Å; N86-P90 WeakPolarHBondContact OD1-CA 3.33Å; P90-K92 PolarHBondContact O-N 3.46Å; P90-V93 HydrophobicContact CB-CB 4.48Å; P90-V93 HydrophobicContact CB-CG2 4.07Å; P90-V93 HydrophobicContact CG-CG2 4.28Å; P90-V93 WeakPolarHBondContact O-CB 3.44Å; P90-V93 PolarHBondContact O-N 3.27Å; P90-L94 PolarHBondContact O-N 3.41Å
91S96.9Very high97.1Very high80 Ų8099 Ų9956%0.55948%0.478SS*.Hα-helixtrans-56.7-34.9178.9-63.30000112.2N86 M89 V93 L94 W95N86-S91 PolarHBondContact OD1-N 3.36Å; M89-S91 PolarHBondContact O-N 3.19Å; S91-V93 PolarHBondContact O-N 3.04Å; S91-L94 PolarHBondContact O-N 2.87Å; S91-W95 PolarHBondContact O-N 2.89Å
92K97.9Very high97.1Very high156 Ų15693 Ų9368%0.67846%0.456SS*.Hα-helixtrans-60.1-43174.5-173.8171.5-176.4172.60112.3P90 L94 W95 I96P90-K92 PolarHBondContact O-N 3.46Å; K92-L94 PolarHBondContact O-N 3.23Å; K92-W95 PolarHBondContact O-N 3.14Å; K92-I96 HydrophobicContact CG-CD1 4.06Å; K92-I96 VanDerWaalsContact O-CG1 3.27Å; K92-I96 WeakPolarHBondContact O-CG1 3.3Å; K92-I96 PolarHBondContact O-N 3.41Å
93V97.7Very high97.2Very high52 Ų5287 Ų8732%0.31543%0.433SS..Hα-helixtrans-65-41.4178.2174.60000110.7P90 S91 I96 R97P90-V93 HydrophobicContact CB-CB 4.48Å; P90-V93 HydrophobicContact CB-CG2 4.07Å; P90-V93 HydrophobicContact CG-CG2 4.28Å; P90-V93 WeakPolarHBondContact O-CB 3.44Å; P90-V93 PolarHBondContact O-N 3.27Å; S91-V93 PolarHBondContact O-N 3.04Å; V93-I96 PolarHBondContact O-N 2.71Å; V93-R97 WeakPolarHBondContact O-CB 3.43Å; V93-R97 VanDerWaalsContact O-CG 3.31Å; V93-R97 WeakPolarHBondContact O-CG 3.2Å; V93-R97 PolarHBondContact O-N 2.79Å
94L96.5Very high97.3Very high85 Ų8592 Ų9245%0.44543%0.434SS..Hα-helixtrans-62.5-43.7175.5-65.5175.7000111.6M89 P90 S91 K92 R97 R98M89-L94 HydrophobicContact CE-CD2 3.93Å; P90-L94 PolarHBondContact O-N 3.41Å; S91-L94 PolarHBondContact O-N 2.87Å; K92-L94 PolarHBondContact O-N 3.23Å; L94-R97 PolarHBondContact O-N 3.32Å; L94-R98 WeakPolarHBondContact O-CB 3.4Å; L94-R98 PolarHBondContact O-N 3.22Å
95W96.4Very high97.3Very high124 Ų12487.8 Ų87.847%0.4741%0.407SS..Hα-helixtrans-62.1-47.2176.4179.890.6000112.2S91 K92 R97 R98 M99S91-W95 PolarHBondContact O-N 2.89Å; K92-W95 PolarHBondContact O-N 3.14Å; W95-R97 PolarHBondContact O-N 3.39Å; W95-R98 PolarHBondContact O-N 3.41Å; W95-M99 HydrophobicContact CD2-CG 3.9Å; W95-M99 HydrophobicContact CE3-CG 4.43Å; W95-M99 HydrophobicContact CG-CG 4.35Å; W95-M99 HydrophobicContact CH2-CG 4.34Å; W95-M99 HydrophobicContact CZ2-CG 3.79Å; W95-M99 WeakPolarHBondContact O-CB 3.15Å; W95-M99 WeakPolarHBondContact O-CG 3.35Å; W95-M99 PolarHBondContact O-N 3.37Å
96I97.1Very high97.4Very high52 Ų5279.2 Ų79.227%0.26737%0.37SS..Hα-helixtrans-57.9-48.9177.2-69.5168.6000110.5K92 V93 R98 M99 R100K92-I96 HydrophobicContact CG-CD1 4.06Å; K92-I96 VanDerWaalsContact O-CG1 3.27Å; K92-I96 WeakPolarHBondContact O-CG1 3.3Å; K92-I96 PolarHBondContact O-N 3.41Å; V93-I96 PolarHBondContact O-N 2.71Å; I96-R98 PolarHBondContact O-N 2.84Å; I96-M99 PolarHBondContact O-N 2.88Å; I96-R100 HydrophobicContact CG2-CG 4.39Å; I96-R100 WeakPolarHBondContact O-CB 3.34Å; I96-R100 VanDerWaalsContact O-CG 3.27Å; I96-R100 WeakPolarHBondContact O-CG 3.48Å; I96-R100 PolarHBondContact O-N 3.47Å
97R97.3Very high97.4Very high148 Ų14881.3 Ų81.356%0.55837%0.371SS*.Hα-helixtrans-59.7-47.1179.1-73.6175.4-179-178.32.4111.2V93 L94 W95 R100 V101V93-R97 WeakPolarHBondContact O-CB 3.43Å; V93-R97 VanDerWaalsContact O-CG 3.31Å; V93-R97 WeakPolarHBondContact O-CG 3.2Å; V93-R97 PolarHBondContact O-N 2.79Å; L94-R97 PolarHBondContact O-N 3.32Å; W95-R97 PolarHBondContact O-N 3.39Å; R97-R100 PolarHBondContact O-N 2.93Å; R97-V101 VanDerWaalsContact O-CG2 3.29Å; R97-V101 WeakPolarHBondContact O-CG2 3.3Å; R97-V101 PolarHBondContact O-N 3Å
98R96.9Very high97.4Very high70 Ų7084.8 Ų84.826%0.26437%0.373SS..Hα-helixtrans-61.3-50.4178.5-176.2176.561.1160.77.6111.8L94 W95 I96 R100 V101 L102 N130 K133L94-R98 WeakPolarHBondContact O-CB 3.4Å; L94-R98 PolarHBondContact O-N 3.22Å; W95-R98 PolarHBondContact O-N 3.41Å; I96-R98 PolarHBondContact O-N 2.84Å; R98-R100 VanDerWaalsContact C-N 3.33Å; R98-R100 PolarHBondContact O-N 3.04Å; R98-V101 PolarHBondContact O-N 3.48Å; R98-L102 HydrophobicContact CG-CD1 4.17Å; R98-L102 WeakPolarHBondContact O-CG 3.41Å; R98-L102 PolarHBondContact O-N 2.97Å; R98-N130 PolarHBondContact NH1-OD1 3.23Å; R98-N130 PolarHBondContact NH2-OD1 3.15Å; R98-K133 WeakPolarHBondContact CD-O 3.45Å
99M97.4Very high97.4Very high5 Ų580.3 Ų80.33%0.02536%0.356CS..Hα-helixtrans-59.8-42.5179.3-73.2-58.8107.700112.1W95 I96 L102 R103 A127W95-M99 HydrophobicContact CD2-CG 3.9Å; W95-M99 HydrophobicContact CE3-CG 4.43Å; W95-M99 HydrophobicContact CG-CG 4.35Å; W95-M99 HydrophobicContact CH2-CG 4.34Å; W95-M99 HydrophobicContact CZ2-CG 3.79Å; W95-M99 WeakPolarHBondContact O-CB 3.15Å; W95-M99 WeakPolarHBondContact O-CG 3.35Å; W95-M99 PolarHBondContact O-N 3.37Å; I96-M99 PolarHBondContact O-N 2.88Å; M99-L102 HydrophobicContact CE-CD1 3.89Å; M99-L102 PolarHBondContact O-N 3.33Å; M99-R103 WeakPolarHBondContact O-CB 3.26Å; M99-R103 VanDerWaalsContact O-CG 3.29Å; M99-R103 WeakPolarHBondContact O-CG 3.39Å; M99-R103 PolarHBondContact O-N 3.16Å; M99-A127 VanDerWaalsContact CE-O 3.3Å; M99-A127 WeakPolarHBondContact CE-O 3.5Å; M99-A127 VanDerWaalsContact SD-O 3.4Å
100R97.6Very high97.5Very high176 Ų17680.5 Ų80.566%0.66435%0.352SS*.Hα-helixtrans-62.1-42.8176.2-73.5177.4-178.9-172.61.9112I96 R97 R98 R104I96-R100 HydrophobicContact CG2-CG 4.39Å; I96-R100 WeakPolarHBondContact O-CB 3.34Å; I96-R100 VanDerWaalsContact O-CG 3.27Å; I96-R100 WeakPolarHBondContact O-CG 3.48Å; I96-R100 PolarHBondContact O-N 3.47Å; R97-R100 PolarHBondContact O-N 2.93Å; R98-R100 VanDerWaalsContact C-N 3.33Å; R98-R100 PolarHBondContact O-N 3.04Å; R100-R104 WeakPolarHBondContact O-CB 3.36Å; R100-R104 PolarHBondContact O-N 2.93Å
101V97.9Very high97.5Very high48 Ų4882.7 Ų82.729%0.29136%0.361SS..Hα-helixtrans-63-46.7177.7170.50000111.5R97 R98 L105 K135R97-V101 VanDerWaalsContact O-CG2 3.29Å; R97-V101 WeakPolarHBondContact O-CG2 3.3Å; R97-V101 PolarHBondContact O-N 3Å; R98-V101 PolarHBondContact O-N 3.48Å; V101-L105 PolarHBondContact O-N 2.73Å; V101-L105 VanDerWaalsContact O-N 3.11Å; V101-K135 HydrophobicContact CG1-CB 4.06Å; V101-K135 HydrophobicContact CG1-CD 4.42Å; V101-K135 HydrophobicContact CG1-CG 4.32Å
102L98Very high97.5Very high1 Ų181.7 Ų81.71%0.00536%0.358CS..Hα-helixtrans-65.2-48.1179.6-64.5176000111.7R98 M99 R104 L105 L106 A127 F132 L138R98-L102 HydrophobicContact CG-CD1 4.17Å; R98-L102 WeakPolarHBondContact O-CG 3.41Å; R98-L102 PolarHBondContact O-N 2.97Å; M99-L102 HydrophobicContact CE-CD1 3.89Å; M99-L102 PolarHBondContact O-N 3.33Å; L102-R104 VanDerWaalsContact C-N 3.34Å; L102-R104 PolarHBondContact O-N 3.46Å; L102-L105 WeakPolarHBondContact O-CB 3.48Å; L102-L105 PolarHBondContact O-N 3.12Å; L102-L106 WeakPolarHBondContact O-CG 3.36Å; L102-L106 PolarHBondContact O-N 3.47Å; L102-A127 HydrophobicContact CB-CB 4.42Å; L102-A127 HydrophobicContact CD1-CB 4.3Å; L102-F132 HydrophobicContact CD1-CB 4.04Å; L102-F132 HydrophobicContact CD2-CB 4.25Å; L102-L138 HydrophobicContact CB-CD2 4.2Å; L102-L138 HydrophobicContact CD2-CB 3.92Å; L102-L138 HydrophobicContact CD2-CD2 3.67Å; L102-L138 HydrophobicContact CD2-CG 4.45Å
103R97.4Very high97.4Very high79 Ų7983.5 Ų83.530%0.29837%0.366SS..Hα-helixtrans-64-38.1179.9-71.5176.7178.2176.8-0.5112.5M99 L106 R107 Y124M99-R103 WeakPolarHBondContact O-CB 3.26Å; M99-R103 VanDerWaalsContact O-CG 3.29Å; M99-R103 WeakPolarHBondContact O-CG 3.39Å; M99-R103 PolarHBondContact O-N 3.16Å; R103-L106 PolarHBondContact O-N 3.39Å; R103-R107 WeakPolarHBondContact O-CB 3.49Å; R103-R107 PolarHBondContact O-N 3Å; R103-Y124 HydrophobicContact CG-CD2 4.4Å; R103-Y124 HydrophobicContact CG-CE2 3.91Å; R103-Y124 VanDerWaalsContact CZ-OH 3.3Å; R103-Y124 PolarHBondContact NE-OH 3.08Å
104R97.9Very high97.3Very high166 Ų16686.3 Ų86.363%0.62637%0.374SS*.Hα-helixtrans-64.2-40.1174.5-176.6174.161.2-147.80.6111.9R100 L102 K108R100-R104 WeakPolarHBondContact O-CB 3.36Å; R100-R104 PolarHBondContact O-N 2.93Å; L102-R104 VanDerWaalsContact C-N 3.34Å; L102-R104 PolarHBondContact O-N 3.46Å; R104-K108 WeakPolarHBondContact O-CB 3.37Å; R104-K108 PolarHBondContact O-N 3.03Å
105L97.7Very high97.3Very high10 Ų1082.7 Ų82.75%0.05236%0.355CS..Hα-helixtrans-63.1-48.2175.6178.465.4000111.4V101 L102 R107 K108 Y109 K135 L138 M139V101-L105 PolarHBondContact O-N 2.73Å; V101-L105 VanDerWaalsContact O-N 3.11Å; L102-L105 WeakPolarHBondContact O-CB 3.48Å; L102-L105 PolarHBondContact O-N 3.12Å; L105-R107 VanDerWaalsContact C-N 3.34Å; L105-R107 PolarHBondContact O-N 3.35Å; L105-K108 PolarHBondContact O-N 3.31Å; L105-Y109 HydrophobicContact CD1-CD1 3.75Å; L105-Y109 HydrophobicContact CD1-CE1 3.4Å; L105-Y109 HydrophobicContact CD1-CE2 4.37Å; L105-Y109 HydrophobicContact CD1-CG 4.38Å; L105-Y109 HydrophobicContact CG-CD1 4.48Å; L105-Y109 HydrophobicContact CG-CE1 4.42Å; L105-Y109 PolarHBondContact O-N 2.98Å; L105-K135 HydrophobicContact CD2-CG 3.7Å; L105-L138 HydrophobicContact CD2-CD2 3.87Å; L105-L138 HydrophobicContact CD2-CG 4.14Å; L105-M139 HydrophobicContact CD2-CG 3.58Å; L105-M139 HydrophobicContact CD2-SD 4.28Å
106L98Very high97.3Very high0 Ų079.4 Ų79.40%035%0.346CS..Hα-helixtrans-59.2-44.4178.4-69.5176.7000111.9L102 R103 Y109 R110 I115 Y120 L123 A127 L138 I142L102-L106 WeakPolarHBondContact O-CG 3.36Å; L102-L106 PolarHBondContact O-N 3.47Å; R103-L106 PolarHBondContact O-N 3.39Å; L106-Y109 PolarHBondContact O-N 3.01Å; L106-R110 WeakPolarHBondContact O-CB 3.28Å; L106-R110 PolarHBondContact O-N 2.82Å; L106-I115 HydrophobicContact CD2-CD1 4.16Å; L106-Y120 HydrophobicContact CB-CD2 3.85Å; L106-Y120 HydrophobicContact CB-CE2 3.7Å; L106-L123 HydrophobicContact CD1-CB 4.11Å; L106-L123 HydrophobicContact CD2-CB 3.65Å; L106-L123 HydrophobicContact CD2-CD1 3.8Å; L106-L123 HydrophobicContact CD2-CG 4.37Å; L106-A127 HydrophobicContact CD1-CB 4.39Å; L106-L138 HydrophobicContact CD2-CD1 4.14Å; L106-L138 HydrophobicContact CD2-CD2 3.99Å; L106-L138 HydrophobicContact CG-CD2 3.99Å; L106-I142 HydrophobicContact CD2-CD1 4.23Å
107R97.6Very high97.3Very high132 Ų13284.2 Ų84.250%0.49837%0.365SS..Hα-helixtrans-58.3-52.7174.9-174.1-173.9-55.4-86.60.9111.1R103 L105 Y109 R110 D111R103-R107 WeakPolarHBondContact O-CB 3.49Å; R103-R107 PolarHBondContact O-N 3Å; L105-R107 VanDerWaalsContact C-N 3.34Å; L105-R107 PolarHBondContact O-N 3.35Å; R107-Y109 VanDerWaalsContact C-N 3.28Å; R107-Y109 PolarHBondContact O-N 3.16Å; R107-R110 WeakPolarHBondContact O-CB 3.5Å; R107-R110 PolarHBondContact O-N 3.28Å; R107-R110 VanDerWaalsContact O-N 3.17Å; R107-D111 WeakPolarHBondContact CG-OD2 3.3Å; R107-D111 PolarHBondContact O-N 3.21Å
108K98.1Very high97.2Very high146 Ų14683.5 Ų83.564%0.63537%0.368SS*.Hα-helixtrans-55.5-42.4177.8-178.8176.8-179.9172.30112.2R104 L105 A112R104-K108 WeakPolarHBondContact O-CB 3.37Å; R104-K108 PolarHBondContact O-N 3.03Å; L105-K108 PolarHBondContact O-N 3.31Å; K108-A112 VanDerWaalsContact O-CB 3.24Å; K108-A112 WeakPolarHBondContact O-CB 3.47Å; K108-A112 PolarHBondContact O-N 3.25Å
109Y97.7Very high97.2Very high24 Ų2481 Ų819%0.09436%0.36CS..Hα-helixtrans-72.6-32.9-178.2-85.124.9000112.8L105 L106 R107 K113 K114 I115 I142L105-Y109 HydrophobicContact CD1-CD1 3.75Å; L105-Y109 HydrophobicContact CD1-CE1 3.4Å; L105-Y109 HydrophobicContact CD1-CE2 4.37Å; L105-Y109 HydrophobicContact CD1-CG 4.38Å; L105-Y109 HydrophobicContact CG-CD1 4.48Å; L105-Y109 HydrophobicContact CG-CE1 4.42Å; L105-Y109 PolarHBondContact O-N 2.98Å; L106-Y109 PolarHBondContact O-N 3.01Å; R107-Y109 VanDerWaalsContact C-N 3.28Å; R107-Y109 PolarHBondContact O-N 3.16Å; Y109-K113 PolarHBondContact O-N 3.34Å; Y109-K114 HydrophobicContact CD1-CD 4.24Å; Y109-K114 HydrophobicContact CD2-CB 4.34Å; Y109-K114 HydrophobicContact CE1-CD 4.27Å; Y109-K114 HydrophobicContact CG-CB 4.26Å; Y109-K114 HydrophobicContact CG-CD 4.38Å; Y109-K114 PolarHBondContact O-N 3.35Å; Y109-I115 PolarHBondContact O-N 3.28Å; Y109-I142 HydrophobicContact CD2-CD1 3.92Å; Y109-I142 HydrophobicContact CD2-CG2 4.39Å; Y109-I142 HydrophobicContact CE2-CD1 4.19Å; Y109-I142 HydrophobicContact CE2-CG2 4.48Å
110R97.2Very high97.2Very high86 Ų8682.4 Ų82.433%0.32537%0.365SS..Hα-helixtrans-66.7-48.6172.8-179.5-16066.5176.23.8110.7L106 R107 A112 K113 I115 Y120L106-R110 WeakPolarHBondContact O-CB 3.28Å; L106-R110 PolarHBondContact O-N 2.82Å; R107-R110 WeakPolarHBondContact O-CB 3.5Å; R107-R110 PolarHBondContact O-N 3.28Å; R107-R110 VanDerWaalsContact O-N 3.17Å; R110-A112 VanDerWaalsContact C-N 3.31Å; R110-A112 PolarHBondContact O-N 2.98Å; R110-K113 WeakPolarHBondContact O-CA 3.45Å; R110-K113 PolarHBondContact O-N 3.04Å; R110-I115 HydrophobicContact CB-CD1 4.48Å; R110-I115 HydrophobicContact CB-CG1 4.21Å; R110-Y120 HydrophobicContact CB-CD2 3.97Å; R110-Y120 HydrophobicContact CB-CG 4.35Å; R110-Y120 HydrophobicContact CG-CD2 4.43Å; R110-Y120 HydrophobicContact CG-CG 4.37Å
111D97.6Very high97.2Very high97 Ų9781.8 Ų81.852%0.51936%0.363SS..Hα-helixtrans-66.3-36.5-177.2-57.5-16000110.9R107 K113R107-D111 WeakPolarHBondContact CG-OD2 3.3Å; R107-D111 PolarHBondContact O-N 3.21Å; D111-K113 PolarHBondContact O-N 3.31Å
112A97.7Very high97.2Very high59 Ų5982.7 Ų82.749%0.48836%0.364SS..THydrogen-bonded Turntrans-78.610.8171.500000114.4K108 R110 K114K108-A112 VanDerWaalsContact O-CB 3.24Å; K108-A112 WeakPolarHBondContact O-CB 3.47Å; K108-A112 PolarHBondContact O-N 3.25Å; R110-A112 VanDerWaalsContact C-N 3.31Å; R110-A112 PolarHBondContact O-N 2.98Å; A112-K114 HydrophobicContact CB-CG 4.31Å; A112-K114 PolarHBondContact O-N 3.14Å
113K95.8Very high97.2Very high194 Ų19482.7 Ų82.784%0.84336%0.364SS*.THydrogen-bonded Turntrans53.222.6-179.7-56.7179.7-178.5177.30115.1Y109 R110 D111 I115Y109-K113 PolarHBondContact O-N 3.34Å; R110-K113 WeakPolarHBondContact O-CA 3.45Å; R110-K113 PolarHBondContact O-N 3.04Å; D111-K113 PolarHBondContact O-N 3.31Å; K113-I115 VanDerWaalsContact C-N 3.33Å
114K96.3Very high97.2Very high110 Ų11081.8 Ų81.848%0.47836%0.361SS..SBendtrans-74.1-27.5175.6-66.3-167.8176.8-1660112.1Y109 A112 K146Y109-K114 HydrophobicContact CD1-CD 4.24Å; Y109-K114 HydrophobicContact CD2-CB 4.34Å; Y109-K114 HydrophobicContact CE1-CD 4.27Å; Y109-K114 HydrophobicContact CG-CB 4.26Å; Y109-K114 HydrophobicContact CG-CD 4.38Å; Y109-K114 PolarHBondContact O-N 3.35Å; A112-K114 HydrophobicContact CB-CG 4.31Å; A112-K114 PolarHBondContact O-N 3.14Å; K114-K146 WeakPolarHBondContact O-CD 3.48Å; K114-K146 WeakPolarHBondContact O-CE 3.44Å; K114-K146 PolarHBondContact O-NZ 3.09Å
115I96.6Very high97.2Very high9 Ų978.2 Ų78.25%0.04635%0.354CS..SBendtrans-130.6148.4173.662.6-179.5000108.6L106 Y109 R110 K113 L119 Y120 L123 I142L106-I115 HydrophobicContact CD2-CD1 4.16Å; Y109-I115 PolarHBondContact O-N 3.28Å; R110-I115 HydrophobicContact CB-CD1 4.48Å; R110-I115 HydrophobicContact CB-CG1 4.21Å; K113-I115 VanDerWaalsContact C-N 3.33Å; I115-L119 HydrophobicContact CB-CD2 4.05Å; I115-L119 HydrophobicContact CB-CG 4.4Å; I115-L119 HydrophobicContact CG2-CD2 3.84Å; I115-L119 HydrophobicContact CG2-CG 4.47Å; I115-Y120 HydrophobicContact CD1-CD2 4.26Å; I115-L123 HydrophobicContact CD1-CD1 4.41Å; I115-I142 HydrophobicContact CG2-CG2 3.8Å
116D95.7Very high97.1Very high56 Ų5680.8 Ų80.830%0.29937%0.365SS..  trans-81.8172.5174.664.345.4000111.9H118 L119 Y120 K149D116-H118 VanDerWaalsContact C-N 3.26Å; D116-H118 PolarHBondContact O-N 2.98Å; D116-H118 WeakPolarHBondContact OD1-CA 3.41Å; D116-H118 WeakPolarHBondContact OD1-CB 3.31Å; D116-H118 PolarHBondContact OD1-N 3.37Å; D116-L119 WeakPolarHBondContact OD1-CB 3.48Å; D116-L119 PolarHBondContact OD1-N 3.47Å; D116-Y120 VanDerWaalsContact O-CB 3.28Å; D116-Y120 WeakPolarHBondContact O-CB 3.28Å; D116-Y120 PolarHBondContact O-N 3.29Å; D116-K149 IonicContact OD2-NZ 2.75Å; D116-K149 PolarHBondContact OD2-NZ 3.01Å
117K96.8Very high97.1Very high153 Ų15380.8 Ų80.867%0.66537%0.365SS*.Hα-helixtrans-63.2-29.3-179.965.5-178.6179.4-179.20113.5R121K117-R121 PolarHBondContact O-N 2.95Å; K117-R121 VanDerWaalsContact O-N 3.16Å
118H96.4Very high97Very high133 Ų13381 Ų8162%0.61637%0.369SS*.Hα-helixtrans-76.4-50.8-177.6-61-80.4000110.4D116 Y120 R121 E122D116-H118 VanDerWaalsContact C-N 3.26Å; D116-H118 PolarHBondContact O-N 2.98Å; D116-H118 WeakPolarHBondContact OD1-CA 3.41Å; D116-H118 WeakPolarHBondContact OD1-CB 3.31Å; D116-H118 PolarHBondContact OD1-N 3.37Å; H118-Y120 VanDerWaalsContact C-N 3.28Å; H118-Y120 PolarHBondContact O-N 3.18Å; H118-R121 PolarHBondContact O-N 3.44Å; H118-R121 VanDerWaalsContact O-N 3.12Å; H118-E122 PolarHBondContact O-N 3.23Å
119L96Very high96.9Very high18 Ų1876.7 Ų76.79%0.09437%0.366CS..Hα-helixtrans-61.2-37.9173.5-17759.6000111I115 D116 R121 E122 L123 K145I115-L119 HydrophobicContact CB-CD2 4.05Å; I115-L119 HydrophobicContact CB-CG 4.4Å; I115-L119 HydrophobicContact CG2-CD2 3.84Å; I115-L119 HydrophobicContact CG2-CG 4.47Å; D116-L119 WeakPolarHBondContact OD1-CB 3.48Å; D116-L119 PolarHBondContact OD1-N 3.47Å; L119-R121 PolarHBondContact O-N 2.97Å; L119-E122 PolarHBondContact O-N 2.92Å; L119-L123 HydrophobicContact CD1-CD1 3.95Å; L119-L123 HydrophobicContact CD1-CD2 4.47Å; L119-L123 HydrophobicContact CD1-CG 3.95Å; L119-L123 HydrophobicContact CD2-CD1 4.46Å; L119-L123 HydrophobicContact CG-CD1 3.77Å; L119-L123 HydrophobicContact CG-CG 4.23Å; L119-L123 VanDerWaalsContact O-CB 3.31Å; L119-L123 WeakPolarHBondContact O-CB 3.45Å; L119-L123 WeakPolarHBondContact O-CG 3.26Å; L119-L123 PolarHBondContact O-N 3.45Å; L119-K145 HydrophobicContact CD1-CG 4.02Å
120Y98Very high96.8Very high33 Ų3379.8 Ų79.813%0.12938%0.384CS..Hα-helixtrans-57.2-47.7172.5169.6-94.9000112L106 R110 I115 D116 H118 L123 Y124L106-Y120 HydrophobicContact CB-CD2 3.85Å; L106-Y120 HydrophobicContact CB-CE2 3.7Å; R110-Y120 HydrophobicContact CB-CD2 3.97Å; R110-Y120 HydrophobicContact CB-CG 4.35Å; R110-Y120 HydrophobicContact CG-CD2 4.43Å; R110-Y120 HydrophobicContact CG-CG 4.37Å; I115-Y120 HydrophobicContact CD1-CD2 4.26Å; D116-Y120 VanDerWaalsContact O-CB 3.28Å; D116-Y120 WeakPolarHBondContact O-CB 3.28Å; D116-Y120 PolarHBondContact O-N 3.29Å; H118-Y120 VanDerWaalsContact C-N 3.28Å; H118-Y120 PolarHBondContact O-N 3.18Å; Y120-L123 PolarHBondContact O-N 3.31Å; Y120-Y124 HydrophobicContact CE1-CD2 4.49Å; Y120-Y124 AromaticContact CZ-CD2 3.99Å; Y120-Y124 VanDerWaalsContact O-CB 3.25Å; Y120-Y124 WeakPolarHBondContact O-CB 3.43Å; Y120-Y124 PolarHBondContact O-N 3.34Å
121R97.6Very high96.8Very high164 Ų16479.5 Ų79.562%0.61939%0.392SS*.Hα-helixtrans-64.7-44.4-179.5-178.462174.2-152.9-1.5111.6K117 H118 L119 Y124 L125K117-R121 PolarHBondContact O-N 2.95Å; K117-R121 VanDerWaalsContact O-N 3.16Å; H118-R121 PolarHBondContact O-N 3.44Å; H118-R121 VanDerWaalsContact O-N 3.12Å; L119-R121 PolarHBondContact O-N 2.97Å; R121-Y124 WeakPolarHBondContact O-CB 3.5Å; R121-Y124 PolarHBondContact O-N 3.43Å; R121-L125 PolarHBondContact O-N 3.44Å; R121-L125 VanDerWaalsContact O-N 3.15Å
122E96.7Very high96.7Very high67 Ų6775 Ų7531%0.31337%0.368SS..Hα-helixtrans-58.6-51.3176-172.4-162.414800111.1H118 L119 Y124 L125 K126H118-E122 PolarHBondContact O-N 3.23Å; L119-E122 PolarHBondContact O-N 2.92Å; E122-Y124 VanDerWaalsContact C-N 3.29Å; E122-Y124 PolarHBondContact O-N 3.01Å; E122-L125 PolarHBondContact O-N 2.97Å; E122-K126 HydrophobicContact CG-CD 4.38Å; E122-K126 PolarHBondContact O-N 2.96Å; E122-K126 VanDerWaalsContact OE1-CE 3.3Å; E122-K126 WeakPolarHBondContact OE1-CE 3.36Å; E122-K126 IonicContact OE1-NZ 3.52Å; E122-K126 PolarHBondContact OE1-NZ 3.44Å
123L97.7Very high96.6Very high0 Ų080.2 Ų80.20%038%0.38CS..Hα-helixtrans-65.7-32.6-179.7-68173.3000112.5L106 I115 L119 Y120 K126 A127 F132 L138 F141 I142L106-L123 HydrophobicContact CD1-CB 4.11Å; L106-L123 HydrophobicContact CD2-CB 3.65Å; L106-L123 HydrophobicContact CD2-CD1 3.8Å; L106-L123 HydrophobicContact CD2-CG 4.37Å; I115-L123 HydrophobicContact CD1-CD1 4.41Å; L119-L123 HydrophobicContact CD1-CD1 3.95Å; L119-L123 HydrophobicContact CD1-CD2 4.47Å; L119-L123 HydrophobicContact CD1-CG 3.95Å; L119-L123 HydrophobicContact CD2-CD1 4.46Å; L119-L123 HydrophobicContact CG-CD1 3.77Å; L119-L123 HydrophobicContact CG-CG 4.23Å; L119-L123 VanDerWaalsContact O-CB 3.31Å; L119-L123 WeakPolarHBondContact O-CB 3.45Å; L119-L123 WeakPolarHBondContact O-CG 3.26Å; L119-L123 PolarHBondContact O-N 3.45Å; Y120-L123 PolarHBondContact O-N 3.31Å; L123-K126 PolarHBondContact O-N 2.86Å; L123-A127 VanDerWaalsContact O-CB 3.28Å; L123-A127 WeakPolarHBondContact O-CB 3.2Å; L123-A127 PolarHBondContact O-N 3.2Å; L123-F132 HydrophobicContact CD2-CE2 4.3Å; L123-F132 HydrophobicContact CD2-CZ 3.79Å; L123-L138 HydrophobicContact CD2-CD1 4.26Å; L123-F141 HydrophobicContact CD2-CD1 3.49Å; L123-F141 VanDerWaalsContact CD2-CD1 3.49Å; L123-F141 HydrophobicContact CD2-CE1 3.47Å; L123-F141 VanDerWaalsContact CD2-CE1 3.47Å; L123-I142 HydrophobicContact CD1-CD1 3.98Å; L123-I142 HydrophobicContact CD1-CG1 3.61Å
124Y97.7Very high96.7Very high61 Ų6174.2 Ų74.224%0.23936%0.357CS..Hα-helixtrans-62.9-44.8175.5-172.1-78000111.1R103 Y120 R121 E122 A127 K128R103-Y124 HydrophobicContact CG-CD2 4.4Å; R103-Y124 HydrophobicContact CG-CE2 3.91Å; R103-Y124 VanDerWaalsContact CZ-OH 3.3Å; R103-Y124 PolarHBondContact NE-OH 3.08Å; Y120-Y124 HydrophobicContact CE1-CD2 4.49Å; Y120-Y124 AromaticContact CZ-CD2 3.99Å; Y120-Y124 VanDerWaalsContact O-CB 3.25Å; Y120-Y124 WeakPolarHBondContact O-CB 3.43Å; Y120-Y124 PolarHBondContact O-N 3.34Å; R121-Y124 WeakPolarHBondContact O-CB 3.5Å; R121-Y124 PolarHBondContact O-N 3.43Å; E122-Y124 VanDerWaalsContact C-N 3.29Å; E122-Y124 PolarHBondContact O-N 3.01Å; Y124-A127 PolarHBondContact O-N 3.01Å; Y124-K128 PolarHBondContact O-N 3.28Å
125L97.6Very high96.7Very high90 Ų9073.9 Ų73.947%0.47136%0.355SS..Hα-helixtrans-67.5-42.8177.1-67.2174.1000111.5R121 E122 A127 K128 G129R121-L125 PolarHBondContact O-N 3.44Å; R121-L125 VanDerWaalsContact O-N 3.15Å; E122-L125 PolarHBondContact O-N 2.97Å; L125-A127 VanDerWaalsContact C-N 3.33Å; L125-A127 PolarHBondContact O-N 3.4Å; L125-K128 WeakPolarHBondContact O-CB 3.45Å; L125-K128 PolarHBondContact O-N 3.44Å; L125-K128 VanDerWaalsContact O-N 3.14Å; L125-G129 PolarHBondContact O-N 3.04Å
126K96.9Very high96.8Very high65 Ų6581 Ų8128%0.28338%0.382SS..Hα-helixtrans-60.8-39.3173.3-72.5-178.9171176.10112.7E122 L123 G129 N130 T131 F132 F141E122-K126 HydrophobicContact CG-CD 4.38Å; E122-K126 PolarHBondContact O-N 2.96Å; E122-K126 VanDerWaalsContact OE1-CE 3.3Å; E122-K126 WeakPolarHBondContact OE1-CE 3.36Å; E122-K126 IonicContact OE1-NZ 3.52Å; E122-K126 PolarHBondContact OE1-NZ 3.44Å; L123-K126 PolarHBondContact O-N 2.86Å; K126-G129 CarbonylContact O-C 3.48Å; K126-G129 PolarHBondContact O-N 2.93Å; K126-N130 PolarHBondContact O-N 3.01Å; K126-T131 WeakPolarHBondContact O-CB 3.37Å; K126-T131 PolarHBondContact O-N 3.45Å; K126-T131 VanDerWaalsContact O-N 3.16Å; K126-T131 PolarHBondContact O-OG1 3.11Å; K126-T131 VanDerWaalsContact O-OG1 3.09Å; K126-F132 HydrophobicContact CB-CE2 3.62Å; K126-F132 HydrophobicContact CB-CZ 3.99Å; K126-F141 HydrophobicContact CD-CZ 4.45Å
127A96.6Very high96.9Very high0 Ų080.4 Ų80.40%038%0.38CS..Hα-helixtrans-64.6-41.1173.900000112M99 L102 L106 L123 Y124 L125 G129 N130 F132M99-A127 VanDerWaalsContact CE-O 3.3Å; M99-A127 WeakPolarHBondContact CE-O 3.5Å; M99-A127 VanDerWaalsContact SD-O 3.4Å; L102-A127 HydrophobicContact CB-CB 4.42Å; L102-A127 HydrophobicContact CD1-CB 4.3Å; L106-A127 HydrophobicContact CD1-CB 4.39Å; L123-A127 VanDerWaalsContact O-CB 3.28Å; L123-A127 WeakPolarHBondContact O-CB 3.2Å; L123-A127 PolarHBondContact O-N 3.2Å; Y124-A127 PolarHBondContact O-N 3.01Å; L125-A127 VanDerWaalsContact C-N 3.33Å; L125-A127 PolarHBondContact O-N 3.4Å; A127-G129 VanDerWaalsContact C-N 3.29Å; A127-G129 PolarHBondContact O-N 3.18Å; A127-N130 PolarHBondContact O-N 3.43Å; A127-F132 HydrophobicContact CB-CD2 3.95Å; A127-F132 HydrophobicContact CB-CE2 4.33Å
128K97.1Very high96.9Very high135 Ų13573.1 Ų73.159%0.58735%0.348SS*.Hα-helixtrans-60.2-40.5172.6-170.8-165.5175.3-1530111Y124 L125 N130Y124-K128 PolarHBondContact O-N 3.28Å; L125-K128 WeakPolarHBondContact O-CB 3.45Å; L125-K128 PolarHBondContact O-N 3.44Å; L125-K128 VanDerWaalsContact O-N 3.14Å; K128-N130 PolarHBondContact O-N 3.47Å
129G96Very high96.9Very high56 Ų5669 Ų6958%0.57733%0.33SS*.THydrogen-bonded Turntrans-76.914.2178.600000116L125 K126 A127 T131L125-G129 PolarHBondContact O-N 3.04Å; K126-G129 CarbonylContact O-C 3.48Å; K126-G129 PolarHBondContact O-N 2.93Å; A127-G129 VanDerWaalsContact C-N 3.29Å; A127-G129 PolarHBondContact O-N 3.18Å; G129-T131 PolarHBondContact O-N 3.42Å
130N94.8Very high97Very high89 Ų8972.8 Ų72.848%0.47635%0.347SS..THydrogen-bonded Turntrans63.817.5176.3-168.744000115.5R98 K126 A127 K128 F132R98-N130 PolarHBondContact NH1-OD1 3.23Å; R98-N130 PolarHBondContact NH2-OD1 3.15Å; K126-N130 PolarHBondContact O-N 3.01Å; A127-N130 PolarHBondContact O-N 3.43Å; K128-N130 PolarHBondContact O-N 3.47Å; N130-F132 PolarHBondContact O-N 3Å
131T96.4Very high97Very high81 Ų8174.1 Ų74.150%0.49735%0.354SS..  trans-63.5-30.5177.9-47.30000112.4K126 G129K126-T131 WeakPolarHBondContact O-CB 3.37Å; K126-T131 PolarHBondContact O-N 3.45Å; K126-T131 VanDerWaalsContact O-N 3.16Å; K126-T131 PolarHBondContact O-OG1 3.11Å; K126-T131 VanDerWaalsContact O-OG1 3.09Å; G129-T131 PolarHBondContact O-N 3.42Å
132F96.8Very high97Very high3 Ų366.3 Ų66.31%0.01332%0.324CS..  trans-105.4116.6-176.7-51-64.4000112L102 L123 K126 A127 N130 V137 L138 F141L102-F132 HydrophobicContact CD1-CB 4.04Å; L102-F132 HydrophobicContact CD2-CB 4.25Å; L123-F132 HydrophobicContact CD2-CE2 4.3Å; L123-F132 HydrophobicContact CD2-CZ 3.79Å; K126-F132 HydrophobicContact CB-CE2 3.62Å; K126-F132 HydrophobicContact CB-CZ 3.99Å; A127-F132 HydrophobicContact CB-CD2 3.95Å; A127-F132 HydrophobicContact CB-CE2 4.33Å; N130-F132 PolarHBondContact O-N 3Å; F132-V137 HydrophobicContact CD1-CG1 4.3Å; F132-L138 HydrophobicContact CB-CB 4.2Å; F132-L138 HydrophobicContact CD1-CB 4.1Å; F132-L138 HydrophobicContact CD1-CD1 4.08Å; F132-L138 HydrophobicContact CD2-CB 4.47Å; F132-L138 HydrophobicContact CD2-CD1 3.78Å; F132-L138 HydrophobicContact CE1-CD1 3.9Å; F132-L138 HydrophobicContact CE2-CD1 3.59Å; F132-L138 HydrophobicContact CG-CB 3.99Å; F132-L138 HydrophobicContact CG-CD1 4.03Å; F132-L138 HydrophobicContact CZ-CD1 3.66Å; F132-F141 HydrophobicContact CE1-CB 3.73Å; F132-F141 AromaticContact CE1-CD1 3.96Å; F132-F141 HydrophobicContact CE1-CD1 3.96Å; F132-F141 HydrophobicContact CE1-CD2 4.15Å; F132-F141 AromaticContact CE1-CG 3.66Å; F132-F141 HydrophobicContact CE1-CG 3.66Å; F132-F141 AromaticContact CZ-CD1 3.99Å; F132-F141 HydrophobicContact CZ-CD1 3.99Å; F132-F141 HydrophobicContact CZ-CE1 4.44Å; F132-F141 HydrophobicContact CZ-CG 4.17Å
133K95.7Very high97Very high168 Ų16869.4 Ų69.473%0.7334%0.337SS*.SBendtrans-70.4-38.6179.3-67.4-176.9179.8177.40112.9R98R98-K133 WeakPolarHBondContact CD-O 3.45Å
134N96.8Very high96.9Very high68 Ų6876.3 Ų76.336%0.36437%0.367SS..SBendtrans-152.4176.4-177.961.846.8000111R136 V137 L138N134-R136 VanDerWaalsContact C-N 3.28Å; N134-R136 PolarHBondContact O-N 3.28Å; N134-R136 WeakPolarHBondContact OD1-CA 3.39Å; N134-R136 WeakPolarHBondContact OD1-CB 3.25Å; N134-R136 PolarHBondContact OD1-N 3Å; N134-V137 PolarHBondContact O-N 2.92Å; N134-V137 WeakPolarHBondContact OD1-CG2 3.34Å; N134-V137 PolarHBondContact OD1-N 2.95Å; N134-L138 PolarHBondContact O-N 2.97Å
135K97.3Very high96.8Very high102 Ų10277.1 Ų77.144%0.44337%0.372SS..Hα-helixtrans-58.4-37.8-179.3-170-168.6173.1-167.40112.7V101 L105 L138 M139V101-K135 HydrophobicContact CG1-CB 4.06Å; V101-K135 HydrophobicContact CG1-CD 4.42Å; V101-K135 HydrophobicContact CG1-CG 4.32Å; L105-K135 HydrophobicContact CD2-CG 3.7Å; K135-L138 PolarHBondContact O-N 3.17Å; K135-M139 HydrophobicContact CD-CE 4.45Å; K135-M139 HydrophobicContact CG-CE 4.25Å; K135-M139 HydrophobicContact CG-SD 4.41Å; K135-M139 WeakPolarHBondContact O-CG 3.48Å; K135-M139 PolarHBondContact O-N 3.27Å; K135-M139 VanDerWaalsContact O-N 3.09Å
136R97.6Very high96.7Very high158 Ų15877 Ų7760%0.59637%0.367SS*.Hα-helixtrans-63.8-50-177.7-170-174.168.8-160.6-1.5111.1N134 L138 M139 E140N134-R136 VanDerWaalsContact C-N 3.28Å; N134-R136 PolarHBondContact O-N 3.28Å; N134-R136 WeakPolarHBondContact OD1-CA 3.39Å; N134-R136 WeakPolarHBondContact OD1-CB 3.25Å; N134-R136 PolarHBondContact OD1-N 3Å; R136-L138 VanDerWaalsContact C-N 3.26Å; R136-L138 PolarHBondContact O-N 2.97Å; R136-M139 WeakPolarHBondContact O-CA 3.48Å; R136-M139 WeakPolarHBondContact O-CB 3.29Å; R136-M139 PolarHBondContact O-N 3.33Å; R136-E140 WeakPolarHBondContact CD-OE1 3.29Å; R136-E140 HydrophobicContact CG-CG 4.46Å; R136-E140 VanDerWaalsContact CG-OE1 3.3Å; R136-E140 WeakPolarHBondContact CG-OE1 3.44Å; R136-E140 IonicContact NE-OE1 2.64Å; R136-E140 PolarHBondContact NE-OE1 3.44Å; R136-E140 WeakPolarHBondContact O-CG 3.19Å; R136-E140 PolarHBondContact O-N 2.95Å
137V97.7Very high96.7Very high44 Ų4475 Ų7527%0.26737%0.366SS..Hα-helixtrans-58.1-39178.3177.90000111.7F132 N134 F141F132-V137 HydrophobicContact CD1-CG1 4.3Å; N134-V137 PolarHBondContact O-N 2.92Å; N134-V137 WeakPolarHBondContact OD1-CG2 3.34Å; N134-V137 PolarHBondContact OD1-N 2.95Å; V137-F141 WeakPolarHBondContact O-CB 3.5Å; V137-F141 PolarHBondContact O-N 3Å
138L97.6Very high96.7Very high0 Ų079 Ų790%039%0.385CS..Hα-helixtrans-65.1-41.9174.3174.158.8000112.1L102 L105 L106 L123 F132 N134 K135 R136 F141 I142L102-L138 HydrophobicContact CB-CD2 4.2Å; L102-L138 HydrophobicContact CD2-CB 3.92Å; L102-L138 HydrophobicContact CD2-CD2 3.67Å; L102-L138 HydrophobicContact CD2-CG 4.45Å; L105-L138 HydrophobicContact CD2-CD2 3.87Å; L105-L138 HydrophobicContact CD2-CG 4.14Å; L106-L138 HydrophobicContact CD2-CD1 4.14Å; L106-L138 HydrophobicContact CD2-CD2 3.99Å; L106-L138 HydrophobicContact CG-CD2 3.99Å; L123-L138 HydrophobicContact CD2-CD1 4.26Å; F132-L138 HydrophobicContact CB-CB 4.2Å; F132-L138 HydrophobicContact CD1-CB 4.1Å; F132-L138 HydrophobicContact CD1-CD1 4.08Å; F132-L138 HydrophobicContact CD2-CB 4.47Å; F132-L138 HydrophobicContact CD2-CD1 3.78Å; F132-L138 HydrophobicContact CE1-CD1 3.9Å; F132-L138 HydrophobicContact CE2-CD1 3.59Å; F132-L138 HydrophobicContact CG-CB 3.99Å; F132-L138 HydrophobicContact CG-CD1 4.03Å; F132-L138 HydrophobicContact CZ-CD1 3.66Å; N134-L138 PolarHBondContact O-N 2.97Å; K135-L138 PolarHBondContact O-N 3.17Å; R136-L138 VanDerWaalsContact C-N 3.26Å; R136-L138 PolarHBondContact O-N 2.97Å; L138-F141 PolarHBondContact O-N 3.25Å; L138-I142 HydrophobicContact CD1-CD1 3.92Å; L138-I142 HydrophobicContact CD1-CG1 4.2Å; L138-I142 HydrophobicContact CG-CD1 4Å; L138-I142 VanDerWaalsContact O-CG1 3.26Å; L138-I142 WeakPolarHBondContact O-CG1 3.45Å; L138-I142 PolarHBondContact O-N 3.08Å
139M97.2Very high96.6Very high46 Ų4678.5 Ų78.523%0.22738%0.383CS..Hα-helixtrans-65.4-44.6177.7-69.3-177.5-5600111.8L105 K135 R136 F141 I142 F143L105-M139 HydrophobicContact CD2-CG 3.58Å; L105-M139 HydrophobicContact CD2-SD 4.28Å; K135-M139 HydrophobicContact CD-CE 4.45Å; K135-M139 HydrophobicContact CG-CE 4.25Å; K135-M139 HydrophobicContact CG-SD 4.41Å; K135-M139 WeakPolarHBondContact O-CG 3.48Å; K135-M139 PolarHBondContact O-N 3.27Å; K135-M139 VanDerWaalsContact O-N 3.09Å; R136-M139 WeakPolarHBondContact O-CA 3.48Å; R136-M139 WeakPolarHBondContact O-CB 3.29Å; R136-M139 PolarHBondContact O-N 3.33Å; M139-F141 VanDerWaalsContact C-N 3.33Å; M139-F141 PolarHBondContact O-N 3.46Å; M139-I142 PolarHBondContact O-N 3.49Å; M139-F143 WeakPolarHBondContact O-CD2 3.43Å; M139-F143 WeakPolarHBondContact O-CG 3.45Å; M139-F143 PolarHBondContact O-N 2.98Å
140E97.6Very high96.6Very high99 Ų9983 Ų8346%0.46339%0.388SS..Hα-helixtrans-57.6-45.5175.4-71.3164.4-178.500111.2R136 I142 F143 K144R136-E140 WeakPolarHBondContact CD-OE1 3.29Å; R136-E140 HydrophobicContact CG-CG 4.46Å; R136-E140 VanDerWaalsContact CG-OE1 3.3Å; R136-E140 WeakPolarHBondContact CG-OE1 3.44Å; R136-E140 IonicContact NE-OE1 2.64Å; R136-E140 PolarHBondContact NE-OE1 3.44Å; R136-E140 WeakPolarHBondContact O-CG 3.19Å; R136-E140 PolarHBondContact O-N 2.95Å; E140-I142 PolarHBondContact O-N 3.42Å; E140-F143 PolarHBondContact O-N 3.03Å; E140-K144 PolarHBondContact O-N 3.39Å
141F97.5Very high96.7Very high60 Ų6088 Ų8826%0.26340%0.4SS..Hα-helixtrans-60.7-43.4176-175-87.4000112.4L123 K126 F132 V137 L138 M139 K144 K145L123-F141 HydrophobicContact CD2-CD1 3.49Å; L123-F141 VanDerWaalsContact CD2-CD1 3.49Å; L123-F141 HydrophobicContact CD2-CE1 3.47Å; L123-F141 VanDerWaalsContact CD2-CE1 3.47Å; K126-F141 HydrophobicContact CD-CZ 4.45Å; F132-F141 HydrophobicContact CE1-CB 3.73Å; F132-F141 AromaticContact CE1-CD1 3.96Å; F132-F141 HydrophobicContact CE1-CD1 3.96Å; F132-F141 HydrophobicContact CE1-CD2 4.15Å; F132-F141 AromaticContact CE1-CG 3.66Å; F132-F141 HydrophobicContact CE1-CG 3.66Å; F132-F141 AromaticContact CZ-CD1 3.99Å; F132-F141 HydrophobicContact CZ-CD1 3.99Å; F132-F141 HydrophobicContact CZ-CE1 4.44Å; F132-F141 HydrophobicContact CZ-CG 4.17Å; V137-F141 WeakPolarHBondContact O-CB 3.5Å; V137-F141 PolarHBondContact O-N 3Å; L138-F141 PolarHBondContact O-N 3.25Å; M139-F141 VanDerWaalsContact C-N 3.33Å; M139-F141 PolarHBondContact O-N 3.46Å; F141-K144 PolarHBondContact O-N 3.33Å; F141-K145 HydrophobicContact CE1-CB 4.45Å; F141-K145 WeakPolarHBondContact O-CB 3.38Å; F141-K145 PolarHBondContact O-N 3.22Å
142I97Very high96.7Very high1 Ų186.9 Ų86.91%0.00540%0.4CS..Hα-helixtrans-62.7-44.6177.5-70.1166.6000110.6L106 Y109 I115 L123 L138 M139 E140 K145 K146L106-I142 HydrophobicContact CD2-CD1 4.23Å; Y109-I142 HydrophobicContact CD2-CD1 3.92Å; Y109-I142 HydrophobicContact CD2-CG2 4.39Å; Y109-I142 HydrophobicContact CE2-CD1 4.19Å; Y109-I142 HydrophobicContact CE2-CG2 4.48Å; I115-I142 HydrophobicContact CG2-CG2 3.8Å; L123-I142 HydrophobicContact CD1-CD1 3.98Å; L123-I142 HydrophobicContact CD1-CG1 3.61Å; L138-I142 HydrophobicContact CD1-CD1 3.92Å; L138-I142 HydrophobicContact CD1-CG1 4.2Å; L138-I142 HydrophobicContact CG-CD1 4Å; L138-I142 VanDerWaalsContact O-CG1 3.26Å; L138-I142 WeakPolarHBondContact O-CG1 3.45Å; L138-I142 PolarHBondContact O-N 3.08Å; M139-I142 PolarHBondContact O-N 3.49Å; E140-I142 PolarHBondContact O-N 3.42Å; I142-K145 PolarHBondContact O-N 2.75Å; I142-K146 HydrophobicContact CG2-CD 4.06Å; I142-K146 HydrophobicContact CG2-CG 4.33Å; I142-K146 WeakPolarHBondContact O-CB 3.24Å; I142-K146 WeakPolarHBondContact O-CG 3.44Å; I142-K146 PolarHBondContact O-N 3.48Å
143F96.9Very high96.7Very high131 Ų13193.2 Ų93.258%0.57543%0.427SS*.Hα-helixtrans-63-45.7178.9-67-29.2000112M139 E140 K145 K146 G147M139-F143 WeakPolarHBondContact O-CD2 3.43Å; M139-F143 WeakPolarHBondContact O-CG 3.45Å; M139-F143 PolarHBondContact O-N 2.98Å; E140-F143 PolarHBondContact O-N 3.03Å; F143-K145 PolarHBondContact O-N 3.5Å; F143-K146 PolarHBondContact O-N 3.05Å; F143-G147 PolarHBondContact O-N 3.01Å
144K97.2Very high96.7Very high146 Ų14688 Ų8864%0.63542%0.415SS*.Hα-helixtrans-57.3-50.2174.2-175.4176.8177.7177.80111.4E140 F141 K146 G147 E148E140-K144 PolarHBondContact O-N 3.39Å; F141-K144 PolarHBondContact O-N 3.33Å; K144-K146 VanDerWaalsContact C-N 3.34Å; K144-K146 PolarHBondContact O-N 2.97Å; K144-G147 PolarHBondContact O-N 3.02Å; K144-G147 VanDerWaalsContact O-N 3.16Å; K144-E148 VanDerWaalsContact CE-OE1 3.23Å; K144-E148 WeakPolarHBondContact CE-OE1 3.49Å; K144-E148 WeakPolarHBondContact O-CG 3.43Å; K144-E148 PolarHBondContact O-N 3.34Å
145K95.7Very high96.7Very high77 Ų7790.2 Ų90.234%0.33543%0.427SS..Hα-helixtrans-64.2-36.8-177.9-16562.2173.2174.10112.9L119 F141 I142 F143 E148 K149L119-K145 HydrophobicContact CD1-CG 4.02Å; F141-K145 HydrophobicContact CE1-CB 4.45Å; F141-K145 WeakPolarHBondContact O-CB 3.38Å; F141-K145 PolarHBondContact O-N 3.22Å; I142-K145 PolarHBondContact O-N 2.75Å; F143-K145 PolarHBondContact O-N 3.5Å; K145-E148 WeakPolarHBondContact CD-OE2 3.4Å; K145-E148 IonicContact NZ-OE2 2.81Å; K145-K149 WeakPolarHBondContact O-CB 3.29Å; K145-K149 PolarHBondContact O-N 2.98Å
146K95.3Very high96.7Very high87 Ų8788 Ų8838%0.37843%0.428SS..Hα-helixtrans-67.8-41173.9-76.1-173.566.6166.90112K114 I142 F143 K144 K149 Q150K114-K146 WeakPolarHBondContact O-CD 3.48Å; K114-K146 WeakPolarHBondContact O-CE 3.44Å; K114-K146 PolarHBondContact O-NZ 3.09Å; I142-K146 HydrophobicContact CG2-CD 4.06Å; I142-K146 HydrophobicContact CG2-CG 4.33Å; I142-K146 WeakPolarHBondContact O-CB 3.24Å; I142-K146 WeakPolarHBondContact O-CG 3.44Å; I142-K146 PolarHBondContact O-N 3.48Å; F143-K146 PolarHBondContact O-N 3.05Å; K144-K146 VanDerWaalsContact C-N 3.34Å; K144-K146 PolarHBondContact O-N 2.97Å; K146-K149 PolarHBondContact O-N 3.39Å; K146-Q150 WeakPolarHBondContact O-CB 3.44Å; K146-Q150 PolarHBondContact O-N 3.2Å
147G96.3Very high96.7Very high25 Ų2584.8 Ų84.826%0.25842%0.422SS..Hα-helixtrans-60.1-44.9174.600000112F143 K144 Q150 R151F143-G147 PolarHBondContact O-N 3.01Å; K144-G147 PolarHBondContact O-N 3.02Å; K144-G147 VanDerWaalsContact O-N 3.16Å; G147-Q150 PolarHBondContact O-N 3.36Å; G147-R151 VanDerWaalsContact O-CG 3.31Å; G147-R151 WeakPolarHBondContact O-CG 3.27Å; G147-R151 PolarHBondContact O-N 2.93Å
148E96.2Very high96.6Very high83 Ų8387.4 Ų87.439%0.38843%0.432SS..Hα-helixtrans-58.9-47.5173.3-70.4168.4-171.300111.8K144 K145 Q150 R151 A152K144-E148 VanDerWaalsContact CE-OE1 3.23Å; K144-E148 WeakPolarHBondContact CE-OE1 3.49Å; K144-E148 WeakPolarHBondContact O-CG 3.43Å; K144-E148 PolarHBondContact O-N 3.34Å; K145-E148 WeakPolarHBondContact CD-OE2 3.4Å; K145-E148 IonicContact NZ-OE2 2.81Å; E148-Q150 VanDerWaalsContact C-N 3.34Å; E148-Q150 PolarHBondContact O-N 3.48Å; E148-R151 PolarHBondContact O-N 2.96Å; E148-A152 WeakPolarHBondContact O-CB 3.4Å; E148-A152 PolarHBondContact O-N 2.93Å
149K95Very high96.6Very high125 Ų12589.4 Ų89.454%0.54345%0.448SS..Hα-helixtrans-61.3-41.3178.3-170.8178.7-174.2-176.20112.2D116 K145 K146 K153D116-K149 IonicContact OD2-NZ 2.75Å; D116-K149 PolarHBondContact OD2-NZ 3.01Å; K145-K149 WeakPolarHBondContact O-CB 3.29Å; K145-K149 PolarHBondContact O-N 2.98Å; K146-K149 PolarHBondContact O-N 3.39Å; K149-K153 WeakPolarHBondContact O-CB 3.27Å; K149-K153 PolarHBondContact O-N 3.22Å
150Q95.6Very high96.6Very high149 Ų14991.9 Ų91.970%0.69646%0.459SS*.Hα-helixtrans-66.7-42.8178.6-174.3175.92.100111.8K146 G147 E148 K153 A154K146-Q150 WeakPolarHBondContact O-CB 3.44Å; K146-Q150 PolarHBondContact O-N 3.2Å; G147-Q150 PolarHBondContact O-N 3.36Å; E148-Q150 VanDerWaalsContact C-N 3.34Å; E148-Q150 PolarHBondContact O-N 3.48Å; Q150-K153 PolarHBondContact O-N 3.36Å; Q150-A154 PolarHBondContact O-N 3.25Å
151R96.6Very high96.5Very high194 Ų19490.2 Ų90.273%0.73246%0.462SS*.Hα-helixtrans-61.7-46.5174.9-71.3173-178-174-1.1111.7G147 E148 K153 A154 L155G147-R151 VanDerWaalsContact O-CG 3.31Å; G147-R151 WeakPolarHBondContact O-CG 3.27Å; G147-R151 PolarHBondContact O-N 2.93Å; E148-R151 PolarHBondContact O-N 2.96Å; R151-K153 VanDerWaalsContact C-N 3.33Å; R151-K153 PolarHBondContact O-N 3.49Å; R151-A154 PolarHBondContact O-N 3.25Å; R151-L155 WeakPolarHBondContact O-CG 3.4Å; R151-L155 PolarHBondContact O-N 2.87Å; R151-L155 VanDerWaalsContact O-N 3.11Å
152A96.7Very high96.4Very high59 Ų5995 Ų9549%0.48848%0.478SS..Hα-helixtrans-61.2-40.9177.200000112.1E148 L155 A156E148-A152 WeakPolarHBondContact O-CB 3.4Å; E148-A152 PolarHBondContact O-N 2.93Å; A152-L155 PolarHBondContact O-N 3.41Å; A152-A156 WeakPolarHBondContact O-CB 3.31Å; A152-A156 PolarHBondContact O-N 3.17Å
153K96.3Very high96.4Very high135 Ų135102.8 Ų102.859%0.58751%0.508SS*.Hα-helixtrans-61.3-48.7174.7-175.3-177.4175.5-171.40111.5K149 Q150 R151 L155 A156 D157K149-K153 WeakPolarHBondContact O-CB 3.27Å; K149-K153 PolarHBondContact O-N 3.22Å; Q150-K153 PolarHBondContact O-N 3.36Å; R151-K153 VanDerWaalsContact C-N 3.33Å; R151-K153 PolarHBondContact O-N 3.49Å; K153-L155 VanDerWaalsContact C-N 3.3Å; K153-L155 PolarHBondContact O-N 3.32Å; K153-A156 PolarHBondContact O-N 3.01Å; K153-A156 VanDerWaalsContact O-N 3.16Å; K153-D157 VanDerWaalsContact CE-OD2 3.27Å; K153-D157 WeakPolarHBondContact CE-OD2 3.45Å; K153-D157 WeakPolarHBondContact CG-OD2 3.44Å; K153-D157 WeakPolarHBondContact O-CB 3.45Å; K153-D157 PolarHBondContact O-N 3.23Å
154A96.9Very high96.4Very high58 Ų58100.4 Ų100.448%0.47950%0.499SS..Hα-helixtrans-59.3-39.9-179.700000112.7Q150 R151 Q158Q150-A154 PolarHBondContact O-N 3.25Å; R151-A154 PolarHBondContact O-N 3.25Å; A154-Q158 WeakPolarHBondContact O-CB 3.4Å; A154-Q158 PolarHBondContact O-N 3.27Å
155L97.2Very high96.3Very high115 Ų115102.3 Ų102.360%0.60250%0.502SS*.Hα-helixtrans-66.9-41.6175.6-68.8172.3000112.4R151 A152 K153 Q158 A159R151-L155 WeakPolarHBondContact O-CG 3.4Å; R151-L155 PolarHBondContact O-N 2.87Å; R151-L155 VanDerWaalsContact O-N 3.11Å; A152-L155 PolarHBondContact O-N 3.41Å; K153-L155 VanDerWaalsContact C-N 3.3Å; K153-L155 PolarHBondContact O-N 3.32Å; L155-Q158 PolarHBondContact O-N 3.13Å; L155-A159 WeakPolarHBondContact O-CB 3.42Å; L155-A159 PolarHBondContact O-N 2.85Å
156A97Very high96.3Very high57 Ų57103.9 Ų103.947%0.47151%0.514SS..Hα-helixtrans-65.1-45.6176.900000111.7A152 K153 Q158 A159 E160A152-A156 WeakPolarHBondContact O-CB 3.31Å; A152-A156 PolarHBondContact O-N 3.17Å; K153-A156 PolarHBondContact O-N 3.01Å; K153-A156 VanDerWaalsContact O-N 3.16Å; A156-Q158 VanDerWaalsContact C-N 3.3Å; A156-Q158 PolarHBondContact O-N 3.25Å; A156-A159 PolarHBondContact O-N 2.78Å; A156-E160 WeakPolarHBondContact O-CB 3.45Å; A156-E160 PolarHBondContact O-N 3.15Å
157D97Very high96.3Very high90 Ų90106 Ų10648%0.48152%0.523SS..Hα-helixtrans-61.3-40.3177.2-65-12.2000110.6K153 E160 A161K153-D157 VanDerWaalsContact CE-OD2 3.27Å; K153-D157 WeakPolarHBondContact CE-OD2 3.45Å; K153-D157 WeakPolarHBondContact CG-OD2 3.44Å; K153-D157 WeakPolarHBondContact O-CB 3.45Å; K153-D157 PolarHBondContact O-N 3.23Å; D157-E160 PolarHBondContact O-N 3.41Å; D157-A161 WeakPolarHBondContact O-CB 3.5Å; D157-A161 PolarHBondContact O-N 3.49Å
158Q96.7Very high96.3Very high99 Ų99109 Ų10946%0.46353%0.53SS..Hα-helixtrans-64.9-43175.3-172.6-177.322.200112.4A154 L155 A156 R162A154-Q158 WeakPolarHBondContact O-CB 3.4Å; A154-Q158 PolarHBondContact O-N 3.27Å; L155-Q158 PolarHBondContact O-N 3.13Å; A156-Q158 VanDerWaalsContact C-N 3.3Å; A156-Q158 PolarHBondContact O-N 3.25Å; Q158-R162 WeakPolarHBondContact O-CG 3.36Å; Q158-R162 PolarHBondContact O-N 3.49Å; Q158-R162 VanDerWaalsContact O-N 3.15Å
159A96.9Very high96.2Very high42 Ų42107.2 Ų107.235%0.34753%0.53SS..Hα-helixtrans-64.8-41.2177.500000111.6L155 A156 R162 R163L155-A159 WeakPolarHBondContact O-CB 3.42Å; L155-A159 PolarHBondContact O-N 2.85Å; A156-A159 PolarHBondContact O-N 2.78Å; A159-R162 PolarHBondContact O-N 3.02Å; A159-R163 WeakPolarHBondContact O-CG 3.11Å; A159-R163 PolarHBondContact O-N 3.3Å
160E96.2Very high96.2Very high98 Ų98108.8 Ų108.846%0.45853%0.532SS..Hα-helixtrans-67.7-41.5178.2-165.660-161.100111.8A156 D157 R162 R163 Q164A156-E160 WeakPolarHBondContact O-CB 3.45Å; A156-E160 PolarHBondContact O-N 3.15Å; D157-E160 PolarHBondContact O-N 3.41Å; E160-R162 VanDerWaalsContact C-N 3.29Å; E160-R162 PolarHBondContact O-N 3.4Å; E160-R163 WeakPolarHBondContact O-CB 3.31Å; E160-R163 PolarHBondContact O-N 2.87Å; E160-R163 VanDerWaalsContact O-N 3.14Å; E160-R163 IonicContact OE2-NH1 3.41Å; E160-Q164 WeakPolarHBondContact O-CB 3.45Å; E160-Q164 PolarHBondContact O-N 3.03Å
161A96.6Very high96.2Very high63 Ų63107.5 Ų107.552%0.52153%0.525SS..Hα-helixtrans-58.5-40.1173.500000112.3D157 R165D157-A161 WeakPolarHBondContact O-CB 3.5Å; D157-A161 PolarHBondContact O-N 3.49Å; A161-R165 WeakPolarHBondContact O-CB 3.45Å; A161-R165 PolarHBondContact O-N 2.85Å
162R96.1Very high96.1Very high160 Ų160104.9 Ų104.960%0.60452%0.515SS*.Hα-helixtrans-65.3-43.5174.2-71.4178.9-172.6-176.54.2111.9Q158 A159 E160 R165 N166Q158-R162 WeakPolarHBondContact O-CG 3.36Å; Q158-R162 PolarHBondContact O-N 3.49Å; Q158-R162 VanDerWaalsContact O-N 3.15Å; A159-R162 PolarHBondContact O-N 3.02Å; E160-R162 VanDerWaalsContact C-N 3.29Å; E160-R162 PolarHBondContact O-N 3.4Å; R162-R165 PolarHBondContact O-N 3.27Å; R162-N166 VanDerWaalsContact O-CG 3.31Å; R162-N166 PolarHBondContact O-N 2.98Å
163R96Very high96Very high166 Ų166110 Ų11063%0.62652%0.522SS*.Hα-helixtrans-61.8-45.3177-73.4172.3179.7177.6-2.3111.7A159 E160 N166 K167A159-R163 WeakPolarHBondContact O-CG 3.11Å; A159-R163 PolarHBondContact O-N 3.3Å; E160-R163 WeakPolarHBondContact O-CB 3.31Å; E160-R163 PolarHBondContact O-N 2.87Å; E160-R163 VanDerWaalsContact O-N 3.14Å; E160-R163 IonicContact OE2-NH1 3.41Å; R163-N166 PolarHBondContact O-N 2.88Å; R163-K167 WeakPolarHBondContact O-CB 3.44Å; R163-K167 PolarHBondContact O-N 3.01Å
164Q96.2Very high95.9Very high81 Ų81108.3 Ų108.338%0.37952%0.516SS..Hα-helixtrans-64-45179.2-175.360.317.300111.4E160 N166 K167 E168E160-Q164 WeakPolarHBondContact O-CB 3.45Å; E160-Q164 PolarHBondContact O-N 3.03Å; Q164-N166 VanDerWaalsContact C-N 3.31Å; Q164-N166 PolarHBondContact O-N 3.4Å; Q164-K167 PolarHBondContact O-N 3.11Å; Q164-E168 WeakPolarHBondContact CG-OE1 3.36Å; Q164-E168 PolarHBondContact NE2-OE1 2.78Å; Q164-E168 WeakPolarHBondContact O-CB 3.38Å; Q164-E168 WeakPolarHBondContact O-CG 3.39Å; Q164-E168 PolarHBondContact O-N 3.23Å
165R95.4Very high95.8Very high185 Ų185109.4 Ų109.470%0.69851%0.511SS*.Hα-helixtrans-57.4-43.6174.3-174.6-180179.3-175.10.2112.1A161 R162 A169A161-R165 WeakPolarHBondContact O-CB 3.45Å; A161-R165 PolarHBondContact O-N 2.85Å; R162-R165 PolarHBondContact O-N 3.27Å; R165-A169 WeakPolarHBondContact O-CB 3.48Å; R165-A169 PolarHBondContact O-N 3.25Å
166N95.8Very high95.6Very high111 Ų111112.7 Ų112.759%0.59452%0.515SS*.Hα-helixtrans-67.7-41.1178.1-72.7-8.4000112R162 R163 Q164 A169 R170R162-N166 VanDerWaalsContact O-CG 3.31Å; R162-N166 PolarHBondContact O-N 2.98Å; R163-N166 PolarHBondContact O-N 2.88Å; Q164-N166 VanDerWaalsContact C-N 3.31Å; Q164-N166 PolarHBondContact O-N 3.4Å; N166-A169 PolarHBondContact O-N 3.45Å; N166-R170 WeakPolarHBondContact O-CB 3.19Å; N166-R170 PolarHBondContact O-N 3.42Å
167K96Very high95.3Very high131 Ų131115.2 Ų115.257%0.5752%0.517SS*.Hα-helixtrans-62.3-44.7176.1-173.3179.9178.6-177.70111.4R163 Q164 R170 K171R163-K167 WeakPolarHBondContact O-CB 3.44Å; R163-K167 PolarHBondContact O-N 3.01Å; Q164-K167 PolarHBondContact O-N 3.11Å; K167-R170 PolarHBondContact O-N 2.83Å; K167-K171 WeakPolarHBondContact O-CB 3.27Å; K167-K171 PolarHBondContact O-N 2.84Å
168E95.6Very high95.1Very high87 Ų87113.9 Ų113.941%0.40752%0.519SS..Hα-helixtrans-67.5-37.1176.4-72.3170.8-172.900112.8Q164 R172Q164-E168 WeakPolarHBondContact CG-OE1 3.36Å; Q164-E168 PolarHBondContact NE2-OE1 2.78Å; Q164-E168 WeakPolarHBondContact O-CB 3.38Å; Q164-E168 WeakPolarHBondContact O-CG 3.39Å; Q164-E168 PolarHBondContact O-N 3.23Å; E168-R172 WeakPolarHBondContact O-CB 3.14Å; E168-R172 VanDerWaalsContact O-CG 3.28Å; E168-R172 WeakPolarHBondContact O-CG 3.32Å; E168-R172 PolarHBondContact O-N 3.12Å; E168-R172 PolarHBondContact O-NE 3.38Å; E168-R172 VanDerWaalsContact O-NE 3.16Å
169A95.2Very high94.9Very high47 Ų47115.7 Ų115.739%0.38853%0.527SS..Hα-helixtrans-65.6-40.8173.700000111.6R165 N166 R173R165-A169 WeakPolarHBondContact O-CB 3.48Å; R165-A169 PolarHBondContact O-N 3.25Å; N166-A169 PolarHBondContact O-N 3.45Å; A169-R173 PolarHBondContact O-N 3.24Å
170R94.7Very high94.7Very high157 Ų157120.4 Ų120.459%0.59254%0.54SS*.Hα-helixtrans-63.7-48.6175.1-166.7-178.973.7-164.20.4111.4N166 K167 R172 R173 E174N166-R170 WeakPolarHBondContact O-CB 3.19Å; N166-R170 PolarHBondContact O-N 3.42Å; K167-R170 PolarHBondContact O-N 2.83Å; R170-R172 PolarHBondContact O-N 3.2Å; R170-R173 WeakPolarHBondContact O-CB 3.41Å; R170-R173 PolarHBondContact O-N 3.35Å; R170-R173 VanDerWaalsContact O-N 3.07Å; R170-E174 WeakPolarHBondContact CG-OE1 3.32Å; R170-E174 IonicContact NE-OE1 3.3Å; R170-E174 PolarHBondContact NE-OE1 3.23Å; R170-E174 WeakPolarHBondContact O-CG 3.14Å; R170-E174 PolarHBondContact O-N 3.04Å
171K95.7Very high94.3Very high122 Ų122118.4 Ų118.453%0.5354%0.541SS..Hα-helixtrans-57.3-46.4176.7-164.6-166.8-177.4-134.50111.6K167 R173 E174 E175K167-K171 WeakPolarHBondContact O-CB 3.27Å; K167-K171 PolarHBondContact O-N 2.84Å; K171-R173 VanDerWaalsContact C-N 3.3Å; K171-R173 PolarHBondContact O-N 3.35Å; K171-E174 PolarHBondContact O-N 3.43Å; K171-E175 WeakPolarHBondContact CD-OE1 3.4Å; K171-E175 WeakPolarHBondContact CE-OE1 3.46Å; K171-E175 IonicContact NZ-OE1 2.71Å; K171-E175 PolarHBondContact NZ-OE1 2.87Å; K171-E175 WeakPolarHBondContact O-CB 3.36Å; K171-E175 VanDerWaalsContact O-CG 3.31Å; K171-E175 WeakPolarHBondContact O-CG 3.42Å; K171-E175 PolarHBondContact O-N 3.07Å
172R94.1Very high94Very high139 Ų139117.9 Ų117.953%0.52554%0.536SS..Hα-helixtrans-61.4-34.8175.7-77.5-179.1-75.2177.9-9.4113.2E168 R170 R176E168-R172 WeakPolarHBondContact O-CB 3.14Å; E168-R172 VanDerWaalsContact O-CG 3.28Å; E168-R172 WeakPolarHBondContact O-CG 3.32Å; E168-R172 PolarHBondContact O-N 3.12Å; E168-R172 PolarHBondContact O-NE 3.38Å; E168-R172 VanDerWaalsContact O-NE 3.16Å; R170-R172 PolarHBondContact O-N 3.2Å; R172-R176 WeakPolarHBondContact O-CB 3.42Å; R172-R176 PolarHBondContact O-N 3.45Å
173R94.1Very high93.5Very high167 Ų167114.8 Ų114.863%0.6353%0.529SS*.Hα-helixtrans-69.8-45.3175.9-177.9-179.3177177.81.4111.3A169 R170 K171 R176 Q177A169-R173 PolarHBondContact O-N 3.24Å; R170-R173 WeakPolarHBondContact O-CB 3.41Å; R170-R173 PolarHBondContact O-N 3.35Å; R170-R173 VanDerWaalsContact O-N 3.07Å; K171-R173 VanDerWaalsContact C-N 3.3Å; K171-R173 PolarHBondContact O-N 3.35Å; R173-R176 PolarHBondContact O-N 3.49Å; R173-Q177 WeakPolarHBondContact O-CB 3.49Å; R173-Q177 WeakPolarHBondContact O-CG 3.37Å; R173-Q177 PolarHBondContact O-N 3.17Å
174E94.1Very high92.9Very high100 Ų100113.1 Ų113.147%0.46753%0.529SS..Hα-helixtrans-60.7-47.7176-71165.6-171.100110.7R170 K171 R176 Q177 A178R170-E174 WeakPolarHBondContact CG-OE1 3.32Å; R170-E174 IonicContact NE-OE1 3.3Å; R170-E174 PolarHBondContact NE-OE1 3.23Å; R170-E174 WeakPolarHBondContact O-CG 3.14Å; R170-E174 PolarHBondContact O-N 3.04Å; K171-E174 PolarHBondContact O-N 3.43Å; E174-R176 PolarHBondContact O-N 3Å; E174-Q177 PolarHBondContact O-N 3.44Å; E174-A178 WeakPolarHBondContact O-CB 3.48Å; E174-A178 PolarHBondContact O-N 3.43Å
175E94.7Very high92.3Very high81 Ų81114.5 Ų114.538%0.37954%0.543SS..Hα-helixtrans-58.3-44.2175.5-73.2167.9177.500111.5K171 A178 Q179K171-E175 WeakPolarHBondContact CD-OE1 3.4Å; K171-E175 WeakPolarHBondContact CE-OE1 3.46Å; K171-E175 IonicContact NZ-OE1 2.71Å; K171-E175 PolarHBondContact NZ-OE1 2.87Å; K171-E175 WeakPolarHBondContact O-CB 3.36Å; K171-E175 VanDerWaalsContact O-CG 3.31Å; K171-E175 WeakPolarHBondContact O-CG 3.42Å; K171-E175 PolarHBondContact O-N 3.07Å; E175-A178 PolarHBondContact O-N 2.88Å; E175-Q179 WeakPolarHBondContact O-CB 3.22Å; E175-Q179 VanDerWaalsContact O-CG 3.28Å; E175-Q179 WeakPolarHBondContact O-CG 3.29Å; E175-Q179 PolarHBondContact O-N 3.38Å
176R93Very high91.6Very high183 Ų183115.2 Ų115.269%0.69155%0.546SS*.Hα-helixtrans-64.9-41.4176.5-171.8-172.3-59.2178.7-1.2112.7R172 R173 E174 K180R172-R176 WeakPolarHBondContact O-CB 3.42Å; R172-R176 PolarHBondContact O-N 3.45Å; R173-R176 PolarHBondContact O-N 3.49Å; E174-R176 PolarHBondContact O-N 3Å; R176-K180 WeakPolarHBondContact O-CB 3.26Å; R176-K180 PolarHBondContact O-N 3.49Å
177Q92.1Very high90.7Very high110 Ų110117.6 Ų117.651%0.51455%0.546SS..Hα-helixtrans-66.3-41.8177.8-76.2177.4-29.700111.3R173 E174 K180 A181R173-Q177 WeakPolarHBondContact O-CB 3.49Å; R173-Q177 WeakPolarHBondContact O-CG 3.37Å; R173-Q177 PolarHBondContact O-N 3.17Å; E174-Q177 PolarHBondContact O-N 3.44Å; Q177-K180 PolarHBondContact O-N 3.06Å; Q177-A181 WeakPolarHBondContact O-CB 3.37Å; Q177-A181 PolarHBondContact O-N 3.16Å
178A92.7Very high89.6Confident63 Ų63113.4 Ų113.452%0.52154%0.54SS..Hα-helixtrans-64-43.6175.600000112E174 E175 A181 A182E174-A178 WeakPolarHBondContact O-CB 3.48Å; E174-A178 PolarHBondContact O-N 3.43Å; E175-A178 PolarHBondContact O-N 2.88Å; A178-A181 PolarHBondContact O-N 3.27Å; A178-A182 WeakPolarHBondContact O-CB 3.34Å; A178-A182 PolarHBondContact O-N 3.31Å
179Q91.7Very high88.1Confident136 Ų136111.9 Ų111.964%0.63654%0.543SS*.Hα-helixtrans-60.4-46.1174.1-75.4173.60.600111.9E175 A181 A182 E183E175-Q179 WeakPolarHBondContact O-CB 3.22Å; E175-Q179 VanDerWaalsContact O-CG 3.28Å; E175-Q179 WeakPolarHBondContact O-CG 3.29Å; E175-Q179 PolarHBondContact O-N 3.38Å; Q179-A181 PolarHBondContact O-N 3.05Å; Q179-A182 PolarHBondContact O-N 3.02Å; Q179-E183 WeakPolarHBondContact O-CB 3.29Å; Q179-E183 PolarHBondContact O-N 3.15Å
180K91.7Very high86.6Confident141 Ų141111 Ų11161%0.61354%0.538SS*.Hα-helixtrans-63.1-40.6177.7-172.5178-179-178.50112.1R176 Q177 E183 M184R176-K180 WeakPolarHBondContact O-CB 3.26Å; R176-K180 PolarHBondContact O-N 3.49Å; Q177-K180 PolarHBondContact O-N 3.06Å; K180-E183 PolarHBondContact O-N 3.05Å; K180-M184 WeakPolarHBondContact O-CG 3.46Å; K180-M184 PolarHBondContact O-N 3.11Å
181A89.5Confident84.8Confident57 Ų57108.7 Ų108.747%0.47154%0.537SS..Hα-helixtrans-64.4-44.2175.900000111.5Q177 A178 Q179 E183 M184 V185Q177-A181 WeakPolarHBondContact O-CB 3.37Å; Q177-A181 PolarHBondContact O-N 3.16Å; A178-A181 PolarHBondContact O-N 3.27Å; Q179-A181 PolarHBondContact O-N 3.05Å; A181-E183 VanDerWaalsContact C-N 3.35Å; A181-E183 PolarHBondContact O-N 3.12Å; A181-M184 PolarHBondContact O-N 3.26Å; A181-V185 WeakPolarHBondContact O-CG2 3.43Å; A181-V185 PolarHBondContact O-N 3.46Å; A181-V185 VanDerWaalsContact O-N 3.12Å
182A88.7Confident82.9Confident51 Ų51105.7 Ų105.742%0.42154%0.535SS..Hα-helixtrans-63.3-38.5175.500000112.6A178 Q179 R186A178-A182 WeakPolarHBondContact O-CB 3.34Å; A178-A182 PolarHBondContact O-N 3.31Å; Q179-A182 PolarHBondContact O-N 3.02Å; A182-R186 WeakPolarHBondContact O-CG 3.39Å; A182-R186 PolarHBondContact O-N 3.14Å; A182-R186 VanDerWaalsContact O-N 3.08Å
183E87.2Confident81Confident96 Ų96106.9 Ų106.945%0.44955%0.547SS..Hα-helixtrans-66.3-41.6175.8-169.3-173.616600112.2Q179 K180 A181 R186 R187Q179-E183 WeakPolarHBondContact O-CB 3.29Å; Q179-E183 PolarHBondContact O-N 3.15Å; K180-E183 PolarHBondContact O-N 3.05Å; A181-E183 VanDerWaalsContact C-N 3.35Å; A181-E183 PolarHBondContact O-N 3.12Å; E183-R186 PolarHBondContact O-N 3.48Å; E183-R187 PolarHBondContact O-N 3.4Å; E183-R187 IonicContact OE1-CZ 3.26Å; E183-R187 VanDerWaalsContact OE1-CZ 3.26Å; E183-R187 IonicContact OE1-NE 3.61Å; E183-R187 IonicContact OE1-NH2 2.71Å; E183-R187 PolarHBondContact OE1-NH2 2.94Å
184M83.5Confident79.1Confident131 Ų131107.3 Ų107.365%0.64555%0.553SS**Hα-helixtrans-61.3-43.6176.2-72-97-70.400111.9K180 A181 R187 G188K180-M184 WeakPolarHBondContact O-CG 3.46Å; K180-M184 PolarHBondContact O-N 3.11Å; A181-M184 PolarHBondContact O-N 3.26Å; M184-R187 PolarHBondContact O-N 3.25Å; M184-G188 PolarHBondContact O-N 3.31Å
185V83.5Confident77Confident109 Ų109111.3 Ų111.366%0.66157%0.569SS**Hα-helixtrans-62.9-42.1175.7173.60000111A181 G188 A189A181-V185 WeakPolarHBondContact O-CG2 3.43Å; A181-V185 PolarHBondContact O-N 3.46Å; A181-V185 VanDerWaalsContact O-N 3.12Å; V185-G188 PolarHBondContact O-N 3.07Å; V185-A189 WeakPolarHBondContact O-CB 3.46Å; V185-A189 PolarHBondContact O-N 3.12Å
186R80.3Confident74.5Confident201 Ų201117.5 Ų117.576%0.75861%0.605SS**Hα-helixtrans-63.5-40.8175.9-75.5-179.7-176.5-177.40.5113.1A182 E183 A189 G190A182-R186 WeakPolarHBondContact O-CG 3.39Å; A182-R186 PolarHBondContact O-N 3.14Å; A182-R186 VanDerWaalsContact O-N 3.08Å; E183-R186 PolarHBondContact O-N 3.48Å; R186-A189 PolarHBondContact O-N 3.2Å; R186-G190 PolarHBondContact O-N 3.21Å; R186-G190 VanDerWaalsContact O-N 3.08Å
187R76.9Confident73.6Confident161 Ų161114.2 Ų114.261%0.60860%0.6SS**Hα-helixtrans-65-45.7175.9-75.2-173.8-178.31686.2111.7E183 M184 A189 G190 D191E183-R187 PolarHBondContact O-N 3.4Å; E183-R187 IonicContact OE1-CZ 3.26Å; E183-R187 VanDerWaalsContact OE1-CZ 3.26Å; E183-R187 IonicContact OE1-NE 3.61Å; E183-R187 IonicContact OE1-NH2 2.71Å; E183-R187 PolarHBondContact OE1-NH2 2.94Å; M184-R187 PolarHBondContact O-N 3.25Å; R187-A189 VanDerWaalsContact C-N 3.3Å; R187-A189 PolarHBondContact O-N 3.37Å; R187-G190 PolarHBondContact O-N 3Å; R187-D191 PolarHBondContact O-N 3.25Å
188G72.6Confident72.6Confident43 Ų43114.4 Ų114.444%0.44361%0.605SS.*Hα-helixtrans-61.4-36.4176.900000113.5M184 V185 A192M184-G188 PolarHBondContact O-N 3.31Å; V185-G188 PolarHBondContact O-N 3.07Å; G188-A192 PolarHBondContact O-N 3.24Å; G188-A192 VanDerWaalsContact O-N 3.17Å
189A65.3Low71.5Confident55 Ų55117.3 Ų117.346%0.45561%0.61SS.*Hα-helixtrans-67.8-40.8174.100000112.4V185 R186 R187 D191 A192 E193V185-A189 WeakPolarHBondContact O-CB 3.46Å; V185-A189 PolarHBondContact O-N 3.12Å; R186-A189 PolarHBondContact O-N 3.2Å; R187-A189 VanDerWaalsContact C-N 3.3Å; R187-A189 PolarHBondContact O-N 3.37Å; A189-D191 VanDerWaalsContact C-N 3.31Å; A189-D191 PolarHBondContact O-N 3.12Å; A189-A192 PolarHBondContact O-N 3.27Å; A189-E193 PolarHBondContact O-N 3Å
190G61.9Low70.3Confident28 Ų28116.2 Ų116.229%0.28961%0.608SS.*Hα-helixtrans-69.3-25.8176.600000114.3R186 R187 K194R186-G190 PolarHBondContact O-N 3.21Å; R186-G190 VanDerWaalsContact O-N 3.08Å; R187-G190 PolarHBondContact O-N 3Å; G190-K194 WeakPolarHBondContact O-CG 3.35Å
191D57.7Low69Low108 Ų108114.6 Ų114.658%0.57861%0.608SS**Hα-helixtrans-80.1-23.9172.8-69.7-30.6000112.4R187 A189R187-D191 PolarHBondContact O-N 3.25Å; A189-D191 VanDerWaalsContact C-N 3.31Å; A189-D191 PolarHBondContact O-N 3.12Å
192A56.5Low67.6Low59 Ų59118.5 Ų118.549%0.48862%0.617SS.*Hα-helixtrans-76.8-41.7172.100000111.7G188 A189 K194 K195G188-A192 PolarHBondContact O-N 3.24Å; G188-A192 VanDerWaalsContact O-N 3.17Å; A189-A192 PolarHBondContact O-N 3.27Å; A192-K194 PolarHBondContact O-N 2.89Å; A192-K195 PolarHBondContact O-N 3.14Å; A192-K195 VanDerWaalsContact O-N 3.16Å
193E54.3Low66.1Low165 Ų165123.3 Ų123.377%0.77163%0.631SS**THydrogen-bonded Turntrans-65.4-16.1175.2-100.3178.7169.100114.2A189A189-E193 PolarHBondContact O-N 3Å
194K53.9Low64.5Low176 Ų176125.4 Ų125.477%0.76565%0.645SS**THydrogen-bonded Turntrans-95.8-1.5176.5-76.3-178179.6179.40114.1G190 A192G190-K194 WeakPolarHBondContact O-CG 3.35Å; A192-K194 PolarHBondContact O-N 2.89Å
195K49.4Very low62.9Low183 Ų183124.9 Ų124.980%0.79665%0.645SS**  trans-109.61.4-175.5-96.6-174.5177-176.40114.7A192A192-K195 PolarHBondContact O-N 3.14Å; A192-K195 VanDerWaalsContact O-N 3.16Å
196D42.7Very low61Low211 Ų211126.4 Ų126.4100%1.12864%0.643SS**  trans-1080165.5-65.7-35.4000109.6

Retrieved 196 of 196 residues in 63.4 ms (Link to these results)

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