A0A093K8F1_STRCA Loading...

Protein fem-1 homolog C

AlphaFold DB , UniProt , Accession A0A093K8F1, Species STRCA (Struthio camelus australis), Gene n/a, Length 617 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
1M58.5Low89.2Confident177 Ų17743.2 Ų43.287%0.87223%0.226SC*.  0124.50-167.9176.3-73.200106.3T5 A6M1-T5 HydrophobicContact CG-CG2 4.05Å; M1-T5 HydrophobicContact SD-CG2 4.21Å; M1-A6 HydrophobicContact SD-CB 4.27Å
2D88.1Confident89.7Confident83 Ų8346.1 Ų46.144%0.44423%0.232SC..  trans-59.3146.5174.258-51.7000110.8K4 T5 A6D2-K4 VanDerWaalsContact C-N 3.25Å; D2-K4 PolarHBondContact O-N 3.19Å; D2-T5 PolarHBondContact O-N 3.2Å; D2-T5 WeakPolarHBondContact OD1-CB 3.41Å; D2-T5 PolarHBondContact OD1-OG1 2.8Å; D2-T5 WeakPolarHBondContact OD2-CB 3.39Å; D2-T5 PolarHBondContact OD2-N 2.95Å; D2-T5 VanDerWaalsContact OD2-N 3.13Å; D2-T5 PolarHBondContact OD2-OG1 3.16Å; D2-A6 PolarHBondContact O-N 3.32Å
3L87.9Confident90.2Very high65 Ų6547.5 Ų47.534%0.3424%0.24SC..Hα-helixtrans-58-39.2-175.2-179.863.2000112A6 V7 L22 L34L3-A6 PolarHBondContact O-N 3.36Å; L3-V7 HydrophobicContact CD1-CG2 4.41Å; L3-V7 WeakPolarHBondContact O-CB 3.39Å; L3-V7 WeakPolarHBondContact O-CG2 3.33Å; L3-V7 PolarHBondContact O-N 2.75Å; L3-L22 HydrophobicContact CD1-CB 4.35Å; L3-L22 HydrophobicContact CD1-CD2 4.22Å; L3-L34 HydrophobicContact CD2-CD1 4.23Å
4K88.7Confident90.6Very high56 Ų5645.9 Ų45.924%0.24324%0.242CC..Hα-helixtrans-55.7-54.6175.2174.6-153.6-176.41350111.8D2 A6 V7 F8 L34 E37 K38 T39D2-K4 VanDerWaalsContact C-N 3.25Å; D2-K4 PolarHBondContact O-N 3.19Å; K4-A6 VanDerWaalsContact C-N 3.28Å; K4-A6 PolarHBondContact O-N 3.19Å; K4-V7 PolarHBondContact O-N 3.32Å; K4-F8 WeakPolarHBondContact O-CB 3.45Å; K4-F8 PolarHBondContact O-N 3.42Å; K4-L34 HydrophobicContact CB-CD2 4.39Å; K4-E37 WeakPolarHBondContact CD-OE2 3.3Å; K4-E37 WeakPolarHBondContact CE-OE2 3.38Å; K4-E37 HydrophobicContact CG-CB 4.4Å; K4-E37 WeakPolarHBondContact CG-OE2 3.48Å; K4-E37 IonicContact NZ-OE2 3.73Å; K4-E37 PolarHBondContact NZ-OE2 3.23Å; K4-K38 WeakPolarHBondContact CE-O 3.3Å; K4-K38 PolarHBondContact NZ-O 3.17Å; K4-T39 WeakPolarHBondContact CE-OG1 3.39Å
5T91.4Very high91Very high31 Ų3149.9 Ų49.919%0.1926%0.257CS..Hα-helixtrans-64.3-34.3179.1-60.70000111.9M1 D2 F8 N9M1-T5 HydrophobicContact CG-CG2 4.05Å; M1-T5 HydrophobicContact SD-CG2 4.21Å; D2-T5 PolarHBondContact O-N 3.2Å; D2-T5 WeakPolarHBondContact OD1-CB 3.41Å; D2-T5 PolarHBondContact OD1-OG1 2.8Å; D2-T5 WeakPolarHBondContact OD2-CB 3.39Å; D2-T5 PolarHBondContact OD2-N 2.95Å; D2-T5 VanDerWaalsContact OD2-N 3.13Å; D2-T5 PolarHBondContact OD2-OG1 3.16Å; T5-F8 PolarHBondContact O-N 3.2Å; T5-N9 WeakPolarHBondContact CG2-ND2 3.27Å; T5-N9 WeakPolarHBondContact O-CB 3.13Å; T5-N9 PolarHBondContact O-N 3.27Å; T5-N9 PolarHBondContact O-ND2 3.41Å; T5-N9 VanDerWaalsContact O-ND2 3.16Å
6A92.9Very high91.3Very high21 Ų2150.1 Ų50.117%0.17426%0.258CS..Hα-helixtrans-65-45.117500000112.4M1 D2 L3 K4 N9 A10 L22M1-A6 HydrophobicContact SD-CB 4.27Å; D2-A6 PolarHBondContact O-N 3.32Å; L3-A6 PolarHBondContact O-N 3.36Å; K4-A6 VanDerWaalsContact C-N 3.28Å; K4-A6 PolarHBondContact O-N 3.19Å; A6-N9 PolarHBondContact O-N 3.02Å; A6-A10 WeakPolarHBondContact O-CB 2.97Å; A6-A10 PolarHBondContact O-N 3.31Å; A6-L22 HydrophobicContact CB-CD1 4.06Å
7V92.8Very high91.4Very high1 Ų159.9 Ų59.91%0.00629%0.291CS..Hα-helixtrans-60.2-48.2174.1161.20000110.9L3 K4 N9 A10 A11 L19 L22 L23 M35 P44L3-V7 HydrophobicContact CD1-CG2 4.41Å; L3-V7 WeakPolarHBondContact O-CB 3.39Å; L3-V7 WeakPolarHBondContact O-CG2 3.33Å; L3-V7 PolarHBondContact O-N 2.75Å; K4-V7 PolarHBondContact O-N 3.32Å; V7-N9 PolarHBondContact O-N 2.86Å; V7-A10 PolarHBondContact O-N 3.44Å; V7-A11 PolarHBondContact O-N 3.41Å; V7-L19 HydrophobicContact CB-CD1 4.14Å; V7-L19 HydrophobicContact CG1-CD1 3.76Å; V7-L19 HydrophobicContact CG2-CD1 4.09Å; V7-L22 HydrophobicContact CG2-CB 4.37Å; V7-L22 HydrophobicContact CG2-CD1 4.39Å; V7-L23 HydrophobicContact CG2-CD2 4Å; V7-M35 HydrophobicContact CG1-CE 3.62Å; V7-M35 HydrophobicContact CG1-SD 4.48Å; V7-P44 HydrophobicContact CG1-CG 4.21Å
8F94.5Very high91.5Very high6 Ų661.1 Ų61.13%0.02630%0.299CS..Hα-helixtrans-58.7-48.7177.6175.7-94.9000112.2K4 T5 A10 A11 R12 T39 A42 M47K4-F8 WeakPolarHBondContact O-CB 3.45Å; K4-F8 PolarHBondContact O-N 3.42Å; T5-F8 PolarHBondContact O-N 3.2Å; F8-A10 VanDerWaalsContact C-N 3.33Å; F8-A10 PolarHBondContact O-N 3.31Å; F8-A11 PolarHBondContact O-N 3.08Å; F8-R12 WeakPolarHBondContact O-CB 3.43Å; F8-R12 PolarHBondContact O-N 2.92Å; F8-T39 HydrophobicContact CB-CG2 4.42Å; F8-T39 HydrophobicContact CD1-CG2 3.78Å; F8-T39 HydrophobicContact CD2-CG2 4.5Å; F8-T39 HydrophobicContact CE1-CG2 4.11Å; F8-T39 WeakPolarHBondContact CE2-O 3.41Å; F8-T39 HydrophobicContact CG-CG2 3.98Å; F8-T39 WeakPolarHBondContact CZ-O 3.4Å; F8-A42 HydrophobicContact CE2-CB 3.91Å; F8-A42 WeakPolarHBondContact CE2-O 3.43Å; F8-A42 HydrophobicContact CZ-CB 4.22Å; F8-M47 HydrophobicContact CD2-CG 4.44Å; F8-M47 HydrophobicContact CE2-CG 3.49Å; F8-M47 VanDerWaalsContact CE2-CG 3.49Å; F8-M47 HydrophobicContact CZ-CG 3.54Å; F8-M47 HydrophobicContact CZ-SD 4.15Å
9N95.1Very high91.6Very high33 Ų3357.9 Ų57.918%0.17628%0.283CS..Hα-helixtrans-64.5-37.7178.2-72.8-29.7000111.8T5 A6 V7 R12 D13T5-N9 WeakPolarHBondContact CG2-ND2 3.27Å; T5-N9 WeakPolarHBondContact O-CB 3.13Å; T5-N9 PolarHBondContact O-N 3.27Å; T5-N9 PolarHBondContact O-ND2 3.41Å; T5-N9 VanDerWaalsContact O-ND2 3.16Å; A6-N9 PolarHBondContact O-N 3.02Å; V7-N9 PolarHBondContact O-N 2.86Å; N9-R12 PolarHBondContact O-N 3.43Å; N9-R12 PolarHBondContact OD1-NH1 2.97Å; N9-D13 VanDerWaalsContact O-CB 3.31Å; N9-D13 WeakPolarHBondContact O-CB 3.5Å; N9-D13 PolarHBondContact O-N 3.33Å
10A95.8Very high91.6Very high2 Ų257.2 Ų57.22%0.01728%0.284CS..Hα-helixtrans-64.3-41.6176.400000112A6 V7 F8 G14 K15 L18 L19 L22A6-A10 WeakPolarHBondContact O-CB 2.97Å; A6-A10 PolarHBondContact O-N 3.31Å; V7-A10 PolarHBondContact O-N 3.44Å; F8-A10 VanDerWaalsContact C-N 3.33Å; F8-A10 PolarHBondContact O-N 3.31Å; A10-G14 PolarHBondContact O-N 3.32Å; A10-G14 VanDerWaalsContact O-N 3.15Å; A10-K15 HydrophobicContact CB-CB 4.5Å; A10-K15 PolarHBondContact O-N 3.28Å; A10-L18 HydrophobicContact CB-CD2 4.24Å; A10-L18 HydrophobicContact CB-CG 4.37Å; A10-L19 HydrophobicContact CB-CB 4.13Å; A10-L19 HydrophobicContact CB-CD1 4.36Å; A10-L22 HydrophobicContact CB-CD1 4.5Å
11A95.3Very high91.6Very high0 Ų062.2 Ų62.20%030%0.304CS..Hα-helixtrans-67-45.4175.500000112.3V7 F8 D13 G14 P44 H53 M56 L60V7-A11 PolarHBondContact O-N 3.41Å; F8-A11 PolarHBondContact O-N 3.08Å; A11-D13 VanDerWaalsContact C-N 3.31Å; A11-D13 PolarHBondContact O-N 3.22Å; A11-G14 PolarHBondContact O-N 2.69Å; A11-P44 HydrophobicContact CB-CB 3.64Å; A11-H53 PolarHBondContact O-CD2 3.41Å; A11-M56 HydrophobicContact CB-CG 4.37Å; A11-M56 HydrophobicContact CB-SD 4.36Å; A11-L60 HydrophobicContact CB-CD1 4.27Å
12R96.1Very high93.1Very high78 Ų7856 Ų5629%0.29427%0.274SS..Hα-helixtrans-58.7-41.2176.8-172.6-162.767.2-159.5-5.5112.7F8 N9 G14 M47 Y51 H53F8-R12 WeakPolarHBondContact O-CB 3.43Å; F8-R12 PolarHBondContact O-N 2.92Å; N9-R12 PolarHBondContact O-N 3.43Å; N9-R12 PolarHBondContact OD1-NH1 2.97Å; R12-G14 VanDerWaalsContact C-N 3.35Å; R12-M47 HydrophobicContact CB-CB 3.94Å; R12-M47 HydrophobicContact CB-CG 4.39Å; R12-M47 HydrophobicContact CG-CB 4.11Å; R12-M47 HydrophobicContact CG-CG 4.33Å; R12-M47 HydrophobicContact CG-SD 4.31Å; R12-Y51 HydrophobicContact CG-CD2 3.82Å; R12-Y51 HydrophobicContact CG-CE2 3.52Å; R12-H53 PolarHBondContact O-CD2 3.02Å; R12-H53 PolarHBondContact O-NE2 3.42Å
13D96.3Very high93.2Very high64 Ų6452.2 Ų52.234%0.34225%0.254SS..THydrogen-bonded Turntrans-89.11.9-177.8-61-6.2000112.9N9 A11 K15N9-D13 VanDerWaalsContact O-CB 3.31Å; N9-D13 WeakPolarHBondContact O-CB 3.5Å; N9-D13 PolarHBondContact O-N 3.33Å; A11-D13 VanDerWaalsContact C-N 3.31Å; A11-D13 PolarHBondContact O-N 3.22Å; D13-K15 VanDerWaalsContact C-N 3.31Å; D13-K15 HydrophobicContact CB-CD 4.18Å; D13-K15 HydrophobicContact CB-CG 4.09Å; D13-K15 PolarHBondContact O-N 2.89Å; D13-K15 IonicContact OD2-NZ 3.59Å; D13-K15 PolarHBondContact OD2-NZ 2.82Å
14G95.6Very high93.1Very high26 Ų2653.3 Ų53.327%0.26827%0.272SS..THydrogen-bonded Turntrans69.520.9179.600000114.8A10 A11 R12 L16 H53A10-G14 PolarHBondContact O-N 3.32Å; A10-G14 VanDerWaalsContact O-N 3.15Å; A11-G14 PolarHBondContact O-N 2.69Å; R12-G14 VanDerWaalsContact C-N 3.35Å; G14-L16 VanDerWaalsContact C-N 3.34Å; G14-L16 PolarHBondContact O-N 2.89Å; G14-H53 PolarHBondContact N-CD2 3.08Å; G14-H53 PolarHBondContact N-NE2 3.25Å
15K96.7Very high92.9Very high106 Ų10655.8 Ų55.846%0.46130%0.297SS..  trans-84.469-175-66.4178.5-179.3158.10112.2A10 D13 R17 L18 L19A10-K15 HydrophobicContact CB-CB 4.5Å; A10-K15 PolarHBondContact O-N 3.28Å; D13-K15 VanDerWaalsContact C-N 3.31Å; D13-K15 HydrophobicContact CB-CD 4.18Å; D13-K15 HydrophobicContact CB-CG 4.09Å; D13-K15 PolarHBondContact O-N 2.89Å; D13-K15 IonicContact OD2-NZ 3.59Å; D13-K15 PolarHBondContact OD2-NZ 2.82Å; K15-R17 PolarHBondContact O-N 2.92Å; K15-L18 HydrophobicContact CB-CB 3.99Å; K15-L18 HydrophobicContact CB-CD2 4.47Å; K15-L18 HydrophobicContact CD-CD2 4.23Å; K15-L18 WeakPolarHBondContact O-CB 3.27Å; K15-L18 PolarHBondContact O-N 2.75Å; K15-L19 PolarHBondContact O-N 3.38Å
16L94.6Very high92.7Very high53 Ų5357.2 Ų57.228%0.27730%0.3SS..Hα-helixtrans-55.2-44-174.9-177.659.5000113.8G14 L18 L19 S20 D55 M56 Y59G14-L16 VanDerWaalsContact C-N 3.34Å; G14-L16 PolarHBondContact O-N 2.89Å; L16-L18 VanDerWaalsContact C-N 3.26Å; L16-L18 PolarHBondContact O-N 3.23Å; L16-L19 PolarHBondContact O-N 3.36Å; L16-S20 PolarHBondContact O-N 3.17Å; L16-S20 PolarHBondContact O-OG 3.09Å; L16-D55 HydrophobicContact CD2-CB 4.11Å; L16-M56 VanDerWaalsContact CA-CE 3.46Å; L16-M56 HydrophobicContact CB-CE 4.03Å; L16-M56 HydrophobicContact CD1-CE 4.35Å; L16-M56 HydrophobicContact CD1-SD 4.2Å; L16-M56 VanDerWaalsContact N-CE 3.32Å; L16-Y59 HydrophobicContact CD1-CD1 3.71Å; L16-Y59 HydrophobicContact CD1-CD2 3.88Å; L16-Y59 HydrophobicContact CD1-CE1 4.38Å; L16-Y59 HydrophobicContact CD1-CG 3.43Å; L16-Y59 VanDerWaalsContact CD1-CG 3.43Å
17R93.7Very high92.5Very high217 Ų21759.9 Ų59.982%0.81932%0.315SS*.Hα-helixtrans-63.3-30.8178.2-63.4-178-172.7167.12.1113.5K15 S20 K21K15-R17 PolarHBondContact O-N 2.92Å; R17-S20 PolarHBondContact O-OG 3.38Å; R17-K21 VanDerWaalsContact O-CG 3.32Å; R17-K21 WeakPolarHBondContact O-CG 3.38Å
18L93.5Very high92.1Very high81 Ų8168 Ų6842%0.42435%0.35SS..Hα-helixtrans-76-46.1176.3177.261.3000109.3A10 K15 L16 S20 K21 L22A10-L18 HydrophobicContact CB-CD2 4.24Å; A10-L18 HydrophobicContact CB-CG 4.37Å; K15-L18 HydrophobicContact CB-CB 3.99Å; K15-L18 HydrophobicContact CB-CD2 4.47Å; K15-L18 HydrophobicContact CD-CD2 4.23Å; K15-L18 WeakPolarHBondContact O-CB 3.27Å; K15-L18 PolarHBondContact O-N 2.75Å; L16-L18 VanDerWaalsContact C-N 3.26Å; L16-L18 PolarHBondContact O-N 3.23Å; L18-S20 PolarHBondContact O-N 2.76Å; L18-K21 PolarHBondContact O-N 2.81Å; L18-L22 HydrophobicContact CD1-CD1 4.43Å; L18-L22 HydrophobicContact CD1-CG 4.36Å; L18-L22 HydrophobicContact CG-CD1 4.13Å; L18-L22 HydrophobicContact CG-CG 4.47Å; L18-L22 WeakPolarHBondContact O-CG 3.47Å; L18-L22 PolarHBondContact O-N 3.29Å
19L92.9Very high91.7Very high0 Ų075.5 Ų75.50%039%0.385CS..Hα-helixtrans-58.3-47.3178.6-176.868.6000111.8V7 A10 K15 L16 K21 L22 L23 M56 Y59 L60V7-L19 HydrophobicContact CB-CD1 4.14Å; V7-L19 HydrophobicContact CG1-CD1 3.76Å; V7-L19 HydrophobicContact CG2-CD1 4.09Å; A10-L19 HydrophobicContact CB-CB 4.13Å; A10-L19 HydrophobicContact CB-CD1 4.36Å; K15-L19 PolarHBondContact O-N 3.38Å; L16-L19 PolarHBondContact O-N 3.36Å; L19-K21 VanDerWaalsContact C-N 3.29Å; L19-K21 PolarHBondContact O-N 3.41Å; L19-L22 WeakPolarHBondContact O-CB 3.29Å; L19-L22 PolarHBondContact O-N 3Å; L19-L22 VanDerWaalsContact O-N 3.08Å; L19-L23 HydrophobicContact CD1-CD1 3.87Å; L19-L23 HydrophobicContact CD1-CG 4.21Å; L19-L23 HydrophobicContact CD2-CD1 4.38Å; L19-L23 HydrophobicContact CG-CD1 3.86Å; L19-L23 HydrophobicContact CG-CG 4.43Å; L19-L23 WeakPolarHBondContact O-CG 3.41Å; L19-L23 PolarHBondContact O-N 3.13Å; L19-M56 HydrophobicContact CB-CE 4.26Å; L19-M56 HydrophobicContact CB-SD 4.49Å; L19-M56 HydrophobicContact CD2-CE 4.09Å; L19-M56 HydrophobicContact CD2-SD 3.26Å; L19-M56 WeakPolarHBondContact CD2-SD 3.48Å; L19-M56 HydrophobicContact CG-SD 4.47Å; L19-Y59 HydrophobicContact CD2-CD1 4.04Å; L19-Y59 HydrophobicContact CD2-CE1 4.12Å; L19-Y59 HydrophobicContact CG-CE1 4.48Å; L19-L60 HydrophobicContact CD2-CD2 3.78Å; L19-L60 HydrophobicContact CD2-CG 4.44Å
20S91.1Very high91.3Very high43 Ų4377.4 Ų77.430%0.30139%0.393SS..Hα-helixtrans-61.3-37.1179.664.50000112.5L16 R17 L18 L23 A24L16-S20 PolarHBondContact O-N 3.17Å; L16-S20 PolarHBondContact O-OG 3.09Å; R17-S20 PolarHBondContact O-OG 3.38Å; L18-S20 PolarHBondContact O-N 2.76Å; S20-L23 PolarHBondContact O-N 3.47Å; S20-A24 WeakPolarHBondContact O-CB 3.47Å; S20-A24 PolarHBondContact O-N 3.24Å
21K92.6Very high90.9Very high164 Ų16478.5 Ų78.571%0.71340%0.398SS*.Hα-helixtrans-66-40.1172.6-73.3178.7-178.4-172.50112.9R17 L18 L19 L23R17-K21 VanDerWaalsContact O-CG 3.32Å; R17-K21 WeakPolarHBondContact O-CG 3.38Å; L18-K21 PolarHBondContact O-N 2.81Å; L19-K21 VanDerWaalsContact C-N 3.29Å; L19-K21 PolarHBondContact O-N 3.41Å; K21-L23 PolarHBondContact O-N 3.27Å
22L90.2Very high90.4Very high46 Ų4680.2 Ų80.224%0.24141%0.412CS..Hα-helixtrans-66.4-28.3178.5-68.2173.9000112.2L3 A6 V7 A10 L18 L19L3-L22 HydrophobicContact CD1-CB 4.35Å; L3-L22 HydrophobicContact CD1-CD2 4.22Å; A6-L22 HydrophobicContact CB-CD1 4.06Å; V7-L22 HydrophobicContact CG2-CB 4.37Å; V7-L22 HydrophobicContact CG2-CD1 4.39Å; A10-L22 HydrophobicContact CB-CD1 4.5Å; L18-L22 HydrophobicContact CD1-CD1 4.43Å; L18-L22 HydrophobicContact CD1-CG 4.36Å; L18-L22 HydrophobicContact CG-CD1 4.13Å; L18-L22 HydrophobicContact CG-CG 4.47Å; L18-L22 WeakPolarHBondContact O-CG 3.47Å; L18-L22 PolarHBondContact O-N 3.29Å; L19-L22 WeakPolarHBondContact O-CB 3.29Å; L19-L22 PolarHBondContact O-N 3Å; L19-L22 VanDerWaalsContact O-N 3.08Å
23L89.1Confident90Very high4 Ų481.4 Ų81.42%0.02142%0.424CS..Hα-helixtrans-99.3-7.7-177.9-60178.9000113.9V7 L19 S20 K21 S25 K26 M31 L34 M35 Y59V7-L23 HydrophobicContact CG2-CD2 4Å; L19-L23 HydrophobicContact CD1-CD1 3.87Å; L19-L23 HydrophobicContact CD1-CG 4.21Å; L19-L23 HydrophobicContact CD2-CD1 4.38Å; L19-L23 HydrophobicContact CG-CD1 3.86Å; L19-L23 HydrophobicContact CG-CG 4.43Å; L19-L23 WeakPolarHBondContact O-CG 3.41Å; L19-L23 PolarHBondContact O-N 3.13Å; S20-L23 PolarHBondContact O-N 3.47Å; K21-L23 PolarHBondContact O-N 3.27Å; L23-S25 PolarHBondContact O-N 3.25Å; L23-S25 VanDerWaalsContact O-N 3.09Å; L23-K26 WeakPolarHBondContact O-CB 3.32Å; L23-K26 PolarHBondContact O-N 3.24Å; L23-M31 HydrophobicContact CB-SD 4.06Å; L23-M31 HydrophobicContact CD2-CG 4.3Å; L23-L34 HydrophobicContact CD2-CD1 4.12Å; L23-M35 HydrophobicContact CD1-CE 3.86Å; L23-M35 HydrophobicContact CD2-CE 4.17Å; L23-Y59 HydrophobicContact CD1-CE1 4.33Å
24A86.4Confident89.6Confident87 Ų8779.4 Ų79.472%0.71941%0.413SS*.THydrogen-bonded Turntrans-58.3-28.2-171.800000115.1S20S20-A24 WeakPolarHBondContact O-CB 3.47Å; S20-A24 PolarHBondContact O-N 3.24Å
25S84.4Confident89.3Confident109 Ų10978.4 Ų78.476%0.76240%0.401SS*.THydrogen-bonded Turntrans-104.412.6-179.371.20000113.5L23L23-S25 PolarHBondContact O-N 3.25Å; L23-S25 VanDerWaalsContact O-N 3.09Å
26K87.8Confident88.8Confident61 Ų6176.1 Ų76.127%0.26540%0.399SS..  trans-101.5143.2-173.7-66.5-56.1-165.2175.90112.1L23 E30 M31L23-K26 WeakPolarHBondContact O-CB 3.32Å; L23-K26 PolarHBondContact O-N 3.24Å; K26-E30 HydrophobicContact CB-CB 4.37Å; K26-E30 HydrophobicContact CD-CB 4.33Å; K26-E30 WeakPolarHBondContact CD-OE2 3.09Å; K26-E30 IonicContact NZ-OE1 2.67Å; K26-E30 PolarHBondContact NZ-OE1 2.92Å; K26-M31 HydrophobicContact CB-CG 3.79Å
27T89Confident88.5Confident77 Ų7776.5 Ų76.547%0.47240%0.399SS..  trans-71.8159.9172.560.60000110.6E29 E30 M31T27-E29 PolarHBondContact O-N 3.34Å; T27-E30 PolarHBondContact N-OE2 2.88Å; T27-E30 PolarHBondContact O-N 3.41Å; T27-E30 WeakPolarHBondContact OG1-CB 3.44Å; T27-E30 VanDerWaalsContact OG1-CG 3.26Å; T27-E30 WeakPolarHBondContact OG1-CG 3.37Å; T27-E30 PolarHBondContact OG1-N 3.16Å; T27-E30 PolarHBondContact OG1-OE2 3.11Å; T27-M31 WeakPolarHBondContact O-CG 3.49Å; T27-M31 PolarHBondContact O-N 3.35Å
28K84.2Confident88.5Confident171 Ų17171 Ų7174%0.74338%0.381SS*.Hα-helixtrans-58.1-36177.2-69.5-173177.4-173.70112.6M31 A32K28-M31 HydrophobicContact CG-CE 4.17Å; K28-M31 PolarHBondContact O-N 2.88Å; K28-A32 WeakPolarHBondContact O-CB 3.4Å; K28-A32 PolarHBondContact O-N 3.41Å
29E84.8Confident88.4Confident164 Ų16467.8 Ų67.877%0.76637%0.365SS*.Hα-helixtrans-68.7-45.1178.2-66.5172.5-171.900111.9T27 M31 A32 L33T27-E29 PolarHBondContact O-N 3.34Å; E29-M31 VanDerWaalsContact C-N 3.32Å; E29-M31 PolarHBondContact O-N 3.47Å; E29-A32 PolarHBondContact O-N 3.15Å; E29-L33 PolarHBondContact O-N 3.29Å
30E87.3Confident88.3Confident72 Ų7274.6 Ų74.634%0.33640%0.401SS..Hα-helixtrans-63-39.1174.4-73.1173.6111.600112K26 T27 L33 L34K26-E30 HydrophobicContact CB-CB 4.37Å; K26-E30 HydrophobicContact CD-CB 4.33Å; K26-E30 WeakPolarHBondContact CD-OE2 3.09Å; K26-E30 IonicContact NZ-OE1 2.67Å; K26-E30 PolarHBondContact NZ-OE1 2.92Å; T27-E30 PolarHBondContact N-OE2 2.88Å; T27-E30 PolarHBondContact O-N 3.41Å; T27-E30 WeakPolarHBondContact OG1-CB 3.44Å; T27-E30 VanDerWaalsContact OG1-CG 3.26Å; T27-E30 WeakPolarHBondContact OG1-CG 3.37Å; T27-E30 PolarHBondContact OG1-N 3.16Å; T27-E30 PolarHBondContact OG1-OE2 3.11Å; E30-L33 PolarHBondContact O-N 2.89Å; E30-L34 WeakPolarHBondContact O-CB 3.46Å; E30-L34 VanDerWaalsContact O-CG 3.3Å; E30-L34 WeakPolarHBondContact O-CG 3.46Å; E30-L34 PolarHBondContact O-N 3.25Å
31M87.6Confident88.3Confident25 Ų2573.7 Ų73.712%0.12340%0.399CS..Hα-helixtrans-63.4-47.3176.2-71.5-169.5-73.500111.1L23 K26 T27 K28 E29 L33 L34 M35L23-M31 HydrophobicContact CB-SD 4.06Å; L23-M31 HydrophobicContact CD2-CG 4.3Å; K26-M31 HydrophobicContact CB-CG 3.79Å; T27-M31 WeakPolarHBondContact O-CG 3.49Å; T27-M31 PolarHBondContact O-N 3.35Å; K28-M31 HydrophobicContact CG-CE 4.17Å; K28-M31 PolarHBondContact O-N 2.88Å; E29-M31 VanDerWaalsContact C-N 3.32Å; E29-M31 PolarHBondContact O-N 3.47Å; M31-L33 VanDerWaalsContact C-N 3.31Å; M31-L33 PolarHBondContact O-N 3.35Å; M31-L34 PolarHBondContact O-N 3.33Å; M31-M35 VanDerWaalsContact O-CG 3.32Å; M31-M35 WeakPolarHBondContact O-CG 3.26Å; M31-M35 PolarHBondContact O-N 2.84Å
32A85.4Confident88.4Confident37 Ų3766 Ų6631%0.30637%0.366SS..Hα-helixtrans-59.7-41.9177.700000111.9K28 E29 M35 S36K28-A32 WeakPolarHBondContact O-CB 3.4Å; K28-A32 PolarHBondContact O-N 3.41Å; E29-A32 PolarHBondContact O-N 3.15Å; A32-M35 PolarHBondContact O-N 3.36Å; A32-S36 PolarHBondContact O-N 3.1Å
33L86.9Confident88.7Confident103 Ų10363.9 Ų63.954%0.53936%0.355SS..Hα-helixtrans-60.4-50.8175.3-175.667.8000110.9E29 E30 M31 M35 S36 E37E29-L33 PolarHBondContact O-N 3.29Å; E30-L33 PolarHBondContact O-N 2.89Å; M31-L33 VanDerWaalsContact C-N 3.31Å; M31-L33 PolarHBondContact O-N 3.35Å; L33-M35 VanDerWaalsContact C-N 3.26Å; L33-M35 PolarHBondContact O-N 3.36Å; L33-S36 PolarHBondContact O-N 3.09Å; L33-S36 PolarHBondContact O-OG 3.23Å; L33-E37 WeakPolarHBondContact O-CG 3.41Å; L33-E37 PolarHBondContact O-N 3.38Å; L33-E37 VanDerWaalsContact O-N 3.16Å
34L88.3Confident89.1Confident22 Ų2263.9 Ų63.912%0.11536%0.355CS..Hα-helixtrans-60-34178.9-72.8170.3000113L3 K4 L23 E30 M31L3-L34 HydrophobicContact CD2-CD1 4.23Å; K4-L34 HydrophobicContact CB-CD2 4.39Å; L23-L34 HydrophobicContact CD2-CD1 4.12Å; E30-L34 WeakPolarHBondContact O-CB 3.46Å; E30-L34 VanDerWaalsContact O-CG 3.3Å; E30-L34 WeakPolarHBondContact O-CG 3.46Å; E30-L34 PolarHBondContact O-N 3.25Å; M31-L34 PolarHBondContact O-N 3.33Å
35M88.8Confident89.6Confident4 Ų459.8 Ų59.82%0.0232%0.321CS..Hα-helixtrans-74.4-29.4175.9-65-44.9121.600113.3V7 L23 M31 A32 L33 P44 L60 C64 A66V7-M35 HydrophobicContact CG1-CE 3.62Å; V7-M35 HydrophobicContact CG1-SD 4.48Å; L23-M35 HydrophobicContact CD1-CE 3.86Å; L23-M35 HydrophobicContact CD2-CE 4.17Å; M31-M35 VanDerWaalsContact O-CG 3.32Å; M31-M35 WeakPolarHBondContact O-CG 3.26Å; M31-M35 PolarHBondContact O-N 2.84Å; A32-M35 PolarHBondContact O-N 3.36Å; L33-M35 VanDerWaalsContact C-N 3.26Å; L33-M35 PolarHBondContact O-N 3.36Å; M35-P44 HydrophobicContact SD-CB 4.12Å; M35-P44 HydrophobicContact SD-CG 4.15Å; M35-L60 HydrophobicContact CE-CD2 4.39Å; M35-L60 HydrophobicContact SD-CD2 3.39Å; M35-L60 WeakPolarHBondContact SD-CD2 3.41Å; M35-C64 HydrophobicContact CE-CB 4.4Å; M35-C64 HydrophobicContact CG-CB 3.6Å; M35-C64 HydrophobicContact SD-CB 4.15Å; M35-A66 HydrophobicContact CB-CB 4.04Å; M35-A66 HydrophobicContact CG-CB 4.19Å
36S86.6Confident90.2Very high58 Ų5854.6 Ų54.641%0.40629%0.285SS..Hα-helixtrans-78.1-21.5178.674.20000113.3A32 L33A32-S36 PolarHBondContact O-N 3.1Å; L33-S36 PolarHBondContact O-N 3.09Å; L33-S36 PolarHBondContact O-OG 3.23Å
37E89Confident90.7Very high61 Ų6152.3 Ų52.329%0.28528%0.275SS..  trans-72.6137.5-177.5-77.4-169.3-148.900113.3K4 L33K4-E37 WeakPolarHBondContact CD-OE2 3.3Å; K4-E37 WeakPolarHBondContact CE-OE2 3.38Å; K4-E37 HydrophobicContact CG-CB 4.4Å; K4-E37 WeakPolarHBondContact CG-OE2 3.48Å; K4-E37 IonicContact NZ-OE2 3.73Å; K4-E37 PolarHBondContact NZ-OE2 3.23Å; L33-E37 WeakPolarHBondContact O-CG 3.41Å; L33-E37 PolarHBondContact O-N 3.38Å; L33-E37 VanDerWaalsContact O-N 3.16Å
38K91.8Very high91.1Very high102 Ų10248.7 Ų48.744%0.44325%0.253SS..  trans-91.9133.6176.3-64.9-178.7175.4-1730111.6K4 A42 T43 G71K4-K38 WeakPolarHBondContact CE-O 3.3Å; K4-K38 PolarHBondContact NZ-O 3.17Å; K38-A42 CarbonylContact C-O 3.55Å; K38-A42 VanDerWaalsContact CA-O 3.31Å; K38-A42 WeakPolarHBondContact CA-O 3.34Å; K38-T43 HydrophobicContact CG-CG2 4.17Å; K38-G71 VanDerWaalsContact CE-O 3.25Å; K38-G71 WeakPolarHBondContact CE-O 3.41Å; K38-G71 PolarHBondContact NZ-O 3.26Å
39T92.8Very high91.8Very high13 Ų1340.5 Ų40.58%0.0822%0.217CC..BIsolated β-bridgetrans-120.7126.7168.8-55.80000107.5K4 F8 G41 A42K4-T39 WeakPolarHBondContact CE-OG1 3.39Å; F8-T39 HydrophobicContact CB-CG2 4.42Å; F8-T39 HydrophobicContact CD1-CG2 3.78Å; F8-T39 HydrophobicContact CD2-CG2 4.5Å; F8-T39 HydrophobicContact CE1-CG2 4.11Å; F8-T39 WeakPolarHBondContact CE2-O 3.41Å; F8-T39 HydrophobicContact CG-CG2 3.98Å; F8-T39 WeakPolarHBondContact CZ-O 3.4Å; T39-G41 PolarHBondContact O-N 3.47Å; T39-A42 PolarHBondContact N-O 3.36Å; T39-A42 PolarHBondContact O-N 3.37Å
40N89.4Confident92.4Very high143 Ų14334.8 Ų34.877%0.76519%0.189SC*.THydrogen-bonded Turntrans51.236.3-171.5-56-27.9000113.2A42N40-A42 VanDerWaalsContact C-N 3.3Å; N40-A42 PolarHBondContact O-N 3.32Å
41G92.3Very high92.9Very high25 Ų2536.5 Ų36.526%0.25819%0.193SC..THydrogen-bonded Turntrans80.4-2.4-179.400000115.8T39 G72 S73T39-G41 PolarHBondContact O-N 3.47Å; G41-G72 CarbonylContact O-C 3.48Å; G41-G72 WeakPolarHBondContact O-CA 3.33Å; G41-S73 PolarHBondContact O-N 3.03Å
42A95.3Very high93.3Very high2 Ų236.5 Ų36.52%0.01720%0.2CC..BIsolated β-bridgetrans-120.7152.5-175.700000113.9F8 K38 T39 N40 L46 M47F8-A42 HydrophobicContact CE2-CB 3.91Å; F8-A42 WeakPolarHBondContact CE2-O 3.43Å; F8-A42 HydrophobicContact CZ-CB 4.22Å; K38-A42 CarbonylContact C-O 3.55Å; K38-A42 VanDerWaalsContact CA-O 3.31Å; K38-A42 WeakPolarHBondContact CA-O 3.34Å; T39-A42 PolarHBondContact N-O 3.36Å; T39-A42 PolarHBondContact O-N 3.37Å; N40-A42 VanDerWaalsContact C-N 3.3Å; N40-A42 PolarHBondContact O-N 3.32Å; A42-L46 HydrophobicContact CB-CD2 3.97Å; A42-M47 HydrophobicContact CB-CE 3.64Å; A42-M47 HydrophobicContact CB-CG 4.03Å; A42-M47 HydrophobicContact CB-SD 4.2Å
43T95.9Very high93.9Very high2 Ų237.3 Ų37.31%0.01220%0.197CC..  trans-89.4160.217263.30000111.3K38 L45 L46 M47 V70K38-T43 HydrophobicContact CG-CG2 4.17Å; T43-L45 VanDerWaalsContact C-N 3.31Å; T43-L45 PolarHBondContact O-N 3.28Å; T43-L46 PolarHBondContact O-N 2.84Å; T43-L46 VanDerWaalsContact OG1-CB 3.28Å; T43-L46 WeakPolarHBondContact OG1-CB 3.39Å; T43-L46 PolarHBondContact OG1-N 3.35Å; T43-M47 PolarHBondContact O-N 3.03Å; T43-M47 VanDerWaalsContact O-N 3.17Å; T43-V70 HydrophobicContact CG2-CB 4.25Å; T43-V70 HydrophobicContact CG2-CG1 3.67Å
44P96.2Very high94.5Very high3 Ų334.2 Ų34.22%0.01918%0.181CC..Hα-helixtrans-54.9-43.3173-27.536.5000113.2V7 A11 M35 M47 A48 L60V7-P44 HydrophobicContact CG1-CG 4.21Å; A11-P44 HydrophobicContact CB-CB 3.64Å; M35-P44 HydrophobicContact SD-CB 4.12Å; M35-P44 HydrophobicContact SD-CG 4.15Å; P44-M47 PolarHBondContact O-N 3.29Å; P44-A48 PolarHBondContact O-N 3.38Å; P44-L60 HydrophobicContact CB-CD1 4.45Å
45L97.4Very high94.9Very high2 Ų238.2 Ų38.21%0.0120%0.202CC..Hα-helixtrans-64.4-42.9178.4179.364000112.2T43 M47 A48 A49 V57 L60 L61 A66 P86T43-L45 VanDerWaalsContact C-N 3.31Å; T43-L45 PolarHBondContact O-N 3.28Å; L45-M47 VanDerWaalsContact C-N 3.3Å; L45-M47 PolarHBondContact O-N 3.32Å; L45-A48 PolarHBondContact O-N 3.45Å; L45-A49 WeakPolarHBondContact O-CB 3.39Å; L45-A49 PolarHBondContact O-N 3.2Å; L45-V57 HydrophobicContact CD1-CB 4.46Å; L45-V57 HydrophobicContact CD1-CG1 4.05Å; L45-V57 HydrophobicContact CD1-CG2 4.36Å; L45-L60 HydrophobicContact CB-CD1 4.36Å; L45-L60 HydrophobicContact CD1-CB 4.21Å; L45-L60 HydrophobicContact CD1-CD1 4.35Å; L45-L61 HydrophobicContact CD1-CD2 4.23Å; L45-L61 HydrophobicContact CD1-CG 4.19Å; L45-L61 HydrophobicContact CD2-CD2 3.78Å; L45-A66 HydrophobicContact CB-CB 4.13Å; L45-A66 HydrophobicContact CD2-CB 4Å; L45-P86 HydrophobicContact CD2-CG 3.98Å; L45-P86 HydrophobicContact CG-CB 4.26Å; L45-P86 HydrophobicContact CG-CG 3.97Å
46L97.8Very high95.3Very high0 Ų038.2 Ų38.20%020%0.202CC..Hα-helixtrans-59.5-42.6177.5177.159.5000111.6A42 T43 R50 G72 V74 A84 A89A42-L46 HydrophobicContact CB-CD2 3.97Å; T43-L46 PolarHBondContact O-N 2.84Å; T43-L46 VanDerWaalsContact OG1-CB 3.28Å; T43-L46 WeakPolarHBondContact OG1-CB 3.39Å; T43-L46 PolarHBondContact OG1-N 3.35Å; L46-R50 WeakPolarHBondContact O-CB 3.5Å; L46-R50 PolarHBondContact O-N 2.97Å; L46-G72 VanDerWaalsContact CD2-CA 3.46Å; L46-V74 HydrophobicContact CD1-CG1 3.72Å; L46-V74 HydrophobicContact CD2-CG1 3.77Å; L46-V74 HydrophobicContact CG-CG1 3.7Å; L46-A84 VanDerWaalsContact CD1-O 3.29Å; L46-A84 WeakPolarHBondContact CD1-O 3.26Å; L46-A89 HydrophobicContact CD1-CB 3.74Å
47M97.3Very high95.8Very high13 Ų1335.4 Ų35.46%0.06418%0.183CC..Hα-helixtrans-69.2-43.2177.2-69.2-66.19700112.3F8 R12 A42 T43 P44 L45 A49 R50 Y51 V74F8-M47 HydrophobicContact CD2-CG 4.44Å; F8-M47 HydrophobicContact CE2-CG 3.49Å; F8-M47 VanDerWaalsContact CE2-CG 3.49Å; F8-M47 HydrophobicContact CZ-CG 3.54Å; F8-M47 HydrophobicContact CZ-SD 4.15Å; R12-M47 HydrophobicContact CB-CB 3.94Å; R12-M47 HydrophobicContact CB-CG 4.39Å; R12-M47 HydrophobicContact CG-CB 4.11Å; R12-M47 HydrophobicContact CG-CG 4.33Å; R12-M47 HydrophobicContact CG-SD 4.31Å; A42-M47 HydrophobicContact CB-CE 3.64Å; A42-M47 HydrophobicContact CB-CG 4.03Å; A42-M47 HydrophobicContact CB-SD 4.2Å; T43-M47 PolarHBondContact O-N 3.03Å; T43-M47 VanDerWaalsContact O-N 3.17Å; P44-M47 PolarHBondContact O-N 3.29Å; L45-M47 VanDerWaalsContact C-N 3.3Å; L45-M47 PolarHBondContact O-N 3.32Å; M47-A49 VanDerWaalsContact C-N 3.28Å; M47-A49 PolarHBondContact O-N 2.8Å; M47-R50 HydrophobicContact CE-CB 4.41Å; M47-R50 PolarHBondContact O-N 3.23Å; M47-Y51 WeakPolarHBondContact O-CD2 3.24Å; M47-Y51 PolarHBondContact O-N 3.33Å; M47-Y51 HydrophobicContact SD-CE2 3.86Å; M47-V74 HydrophobicContact CE-CG1 3.75Å
48A97.8Very high96.2Very high0 Ų036.1 Ų36.10%019%0.186CC..Hα-helixtrans-58-43.1175.100000111.5P44 L45 G52 H53 M56 V57 L60P44-A48 PolarHBondContact O-N 3.38Å; L45-A48 PolarHBondContact O-N 3.45Å; A48-G52 PolarHBondContact O-N 3.03Å; A48-G52 VanDerWaalsContact O-N 3.11Å; A48-H53 PolarHBondContact O-N 3.01Å; A48-M56 HydrophobicContact CB-CB 4.18Å; A48-M56 HydrophobicContact CB-CG 3.66Å; A48-V57 HydrophobicContact CB-CG2 3.78Å; A48-L60 HydrophobicContact CB-CD1 3.95Å
49A98.2Very high96.4Very high0 Ų033.6 Ų33.60%017%0.174CC..Hα-helixtrans-67.4-44.2177.500000112.8L45 M47 Y51 G52 V57 P86 A90 H95 V98 L102L45-A49 WeakPolarHBondContact O-CB 3.39Å; L45-A49 PolarHBondContact O-N 3.2Å; M47-A49 VanDerWaalsContact C-N 3.28Å; M47-A49 PolarHBondContact O-N 2.8Å; A49-Y51 VanDerWaalsContact C-N 3.29Å; A49-Y51 PolarHBondContact O-N 3.17Å; A49-G52 PolarHBondContact O-N 2.86Å; A49-V57 HydrophobicContact CB-CG2 4.34Å; A49-P86 HydrophobicContact CB-CB 3.84Å; A49-A90 HydrophobicContact CB-CB 4.34Å; A49-H95 PolarHBondContact O-CD2 2.93Å; A49-V98 HydrophobicContact CB-CG1 4.01Å; A49-L102 HydrophobicContact CB-CD1 4.17Å
50R97.6Very high96.4Very high43 Ų4333 Ų3316%0.16217%0.17CC..Hα-helixtrans-60.6-34.4178.3171.858.6-173.987.8-4.6113.4L46 M47 N75 F76 A89 A93 H95L46-R50 WeakPolarHBondContact O-CB 3.5Å; L46-R50 PolarHBondContact O-N 2.97Å; M47-R50 HydrophobicContact CE-CB 4.41Å; M47-R50 PolarHBondContact O-N 3.23Å; R50-N75 PolarHBondContact NE-O 3.41Å; R50-N75 PolarHBondContact NH2-O 2.9Å; R50-F76 VanDerWaalsContact CD-CE2 3.48Å; R50-A89 HydrophobicContact CB-CB 4.06Å; R50-A93 WeakPolarHBondContact O-CB 3.21Å; R50-H95 PolarHBondContact O-NE2 3.43Å
51Y97.7Very high96.7Very high108 Ų10827.2 Ų27.242%0.42414%0.139SC..Hα-helixtrans-101.22.1-177.6-67.2-66.3000113.8R12 M47 A49 H53R12-Y51 HydrophobicContact CG-CD2 3.82Å; R12-Y51 HydrophobicContact CG-CE2 3.52Å; M47-Y51 WeakPolarHBondContact O-CD2 3.24Å; M47-Y51 PolarHBondContact O-N 3.33Å; M47-Y51 HydrophobicContact SD-CE2 3.86Å; A49-Y51 VanDerWaalsContact C-N 3.29Å; A49-Y51 PolarHBondContact O-N 3.17Å; Y51-H53 WeakPolarHBondContact CB-NE2 3.27Å
52G97.8Very high96.7Very high26 Ų2630.9 Ų30.927%0.26815%0.153SC..THydrogen-bonded Turntrans812317000000115A48 A49 L54 H95A48-G52 PolarHBondContact O-N 3.03Å; A48-G52 VanDerWaalsContact O-N 3.11Å; A49-G52 PolarHBondContact O-N 2.86Å; G52-L54 PolarHBondContact O-N 3.49Å; G52-H95 WeakPolarHBondContact CA-CD2 3.22Å; G52-H95 VanDerWaalsContact CA-CG 3.48Å; G52-H95 PolarHBondContact N-CD2 3.22Å; G52-H95 VanDerWaalsContact N-CD2 3.26Å; G52-H95 PolarHBondContact N-NE2 3.27Å
53H98.3Very high96.3Very high53 Ų5336.1 Ų36.125%0.24518%0.177CC..  trans-82.881.1-178.2-57.8-48.3000110.9A11 R12 G14 A48 Y51 D55 M56 V57A11-H53 PolarHBondContact O-CD2 3.41Å; R12-H53 PolarHBondContact O-CD2 3.02Å; R12-H53 PolarHBondContact O-NE2 3.42Å; G14-H53 PolarHBondContact N-CD2 3.08Å; G14-H53 PolarHBondContact N-NE2 3.25Å; A48-H53 PolarHBondContact O-N 3.01Å; Y51-H53 WeakPolarHBondContact CB-NE2 3.27Å; H53-D55 PolarHBondContact O-N 3.35Å; H53-M56 HydrophobicContact CB-CB 3.67Å; H53-M56 WeakPolarHBondContact O-CB 3.41Å; H53-M56 PolarHBondContact O-N 3.28Å; H53-M56 VanDerWaalsContact O-N 3.15Å; H53-V57 WeakPolarHBondContact O-CG2 3.38Å; H53-V57 PolarHBondContact O-N 3.3Å
54L98Very high95.7Very high39 Ų3936.1 Ų36.120%0.20418%0.177CC..Hα-helixtrans-53-57.9-175.3179.163.5000113.2G52 M56 V57 E58 K97 V98 C101G52-L54 PolarHBondContact O-N 3.49Å; L54-M56 PolarHBondContact O-N 3.35Å; L54-M56 VanDerWaalsContact O-N 3.09Å; L54-V57 WeakPolarHBondContact O-CA 3.45Å; L54-V57 WeakPolarHBondContact O-CB 3.38Å; L54-V57 PolarHBondContact O-N 3.4Å; L54-E58 HydrophobicContact CD1-CG 4.31Å; L54-E58 PolarHBondContact O-N 2.98Å; L54-K97 HydrophobicContact CD1-CB 4.34Å; L54-K97 HydrophobicContact CD2-CB 4.02Å; L54-K97 HydrophobicContact CD2-CD 4.1Å; L54-V98 HydrophobicContact CB-CG2 4.38Å; L54-V98 HydrophobicContact CD1-CG2 4.43Å; L54-C101 HydrophobicContact CD1-CB 3.81Å
55D97.6Very high95.1Very high106 Ų10640.2 Ų40.257%0.56721%0.206SC*.Hα-helixtrans-58-30.5-178.6-50.6-9.7000112.2L16 H53 Y59L16-D55 HydrophobicContact CD2-CB 4.11Å; H53-D55 PolarHBondContact O-N 3.35Å; D55-Y59 VanDerWaalsContact O-CB 3.28Å; D55-Y59 WeakPolarHBondContact O-CB 3.4Å; D55-Y59 PolarHBondContact O-N 2.97Å; D55-Y59 VanDerWaalsContact O-N 3.08Å
56M97Very high94.5Very high3 Ų340.5 Ų40.52%0.01521%0.209CC..Hα-helixtrans-72.3-43.8175.4-176.763.972.400111.2A11 L16 L19 A48 H53 L54 Y59 L60A11-M56 HydrophobicContact CB-CG 4.37Å; A11-M56 HydrophobicContact CB-SD 4.36Å; L16-M56 VanDerWaalsContact CA-CE 3.46Å; L16-M56 HydrophobicContact CB-CE 4.03Å; L16-M56 HydrophobicContact CD1-CE 4.35Å; L16-M56 HydrophobicContact CD1-SD 4.2Å; L16-M56 VanDerWaalsContact N-CE 3.32Å; L19-M56 HydrophobicContact CB-CE 4.26Å; L19-M56 HydrophobicContact CB-SD 4.49Å; L19-M56 HydrophobicContact CD2-CE 4.09Å; L19-M56 HydrophobicContact CD2-SD 3.26Å; L19-M56 WeakPolarHBondContact CD2-SD 3.48Å; L19-M56 HydrophobicContact CG-SD 4.47Å; A48-M56 HydrophobicContact CB-CB 4.18Å; A48-M56 HydrophobicContact CB-CG 3.66Å; H53-M56 HydrophobicContact CB-CB 3.67Å; H53-M56 WeakPolarHBondContact O-CB 3.41Å; H53-M56 PolarHBondContact O-N 3.28Å; H53-M56 VanDerWaalsContact O-N 3.15Å; L54-M56 PolarHBondContact O-N 3.35Å; L54-M56 VanDerWaalsContact O-N 3.09Å; M56-Y59 PolarHBondContact O-N 3.46Å; M56-L60 HydrophobicContact CG-CD1 3.88Å; M56-L60 HydrophobicContact CG-CG 4.32Å; M56-L60 WeakPolarHBondContact O-CB 3.4Å; M56-L60 WeakPolarHBondContact O-CG 3.47Å; M56-L60 PolarHBondContact O-N 3.38Å; M56-L60 HydrophobicContact SD-CD1 4.26Å; M56-L60 HydrophobicContact SD-CG 4.22Å
57V97.5Very high94.1Very high0 Ų043.5 Ų43.50%023%0.229CC..Hα-helixtrans-60.4-48.9176.71700000110.3L45 A48 A49 H53 L54 Y59 L60 L61 V98 L102L45-V57 HydrophobicContact CD1-CB 4.46Å; L45-V57 HydrophobicContact CD1-CG1 4.05Å; L45-V57 HydrophobicContact CD1-CG2 4.36Å; A48-V57 HydrophobicContact CB-CG2 3.78Å; A49-V57 HydrophobicContact CB-CG2 4.34Å; H53-V57 WeakPolarHBondContact O-CG2 3.38Å; H53-V57 PolarHBondContact O-N 3.3Å; L54-V57 WeakPolarHBondContact O-CA 3.45Å; L54-V57 WeakPolarHBondContact O-CB 3.38Å; L54-V57 PolarHBondContact O-N 3.4Å; V57-Y59 PolarHBondContact O-N 2.95Å; V57-L60 PolarHBondContact O-N 2.84Å; V57-L61 HydrophobicContact CG1-CD1 3.74Å; V57-L61 HydrophobicContact CG1-CG 4.48Å; V57-L61 VanDerWaalsContact O-CG 3.28Å; V57-L61 WeakPolarHBondContact O-CG 3.29Å; V57-L61 PolarHBondContact O-N 3.35Å; V57-V98 HydrophobicContact CG1-CG1 4.49Å; V57-V98 HydrophobicContact CG2-CG1 4.11Å; V57-L102 HydrophobicContact CG1-CD2 4.01Å; V57-L102 HydrophobicContact CG1-CG 4.3Å
58E96.6Very high93.9Very high75 Ų7544.1 Ų44.135%0.3523%0.232SC..Hα-helixtrans-56.7-51176-70.3175.5-179.500111.1L54 L60 L61 D62 C101L54-E58 HydrophobicContact CD1-CG 4.31Å; L54-E58 PolarHBondContact O-N 2.98Å; E58-L60 VanDerWaalsContact C-N 3.33Å; E58-L60 PolarHBondContact O-N 3.01Å; E58-L61 PolarHBondContact O-N 3.21Å; E58-D62 WeakPolarHBondContact O-CB 3.49Å; E58-D62 PolarHBondContact O-N 2.91Å; E58-C101 VanDerWaalsContact CG-SG 3.59Å
59Y95.1Very high93.8Very high49 Ų4947 Ų4719%0.19225%0.246CC..Hα-helixtrans-59.4-42178.9-177.6-93.7000113.1L16 L19 L23 D55 M56 V57 L61 H63 C64L16-Y59 HydrophobicContact CD1-CD1 3.71Å; L16-Y59 HydrophobicContact CD1-CD2 3.88Å; L16-Y59 HydrophobicContact CD1-CE1 4.38Å; L16-Y59 HydrophobicContact CD1-CG 3.43Å; L16-Y59 VanDerWaalsContact CD1-CG 3.43Å; L19-Y59 HydrophobicContact CD2-CD1 4.04Å; L19-Y59 HydrophobicContact CD2-CE1 4.12Å; L19-Y59 HydrophobicContact CG-CE1 4.48Å; L23-Y59 HydrophobicContact CD1-CE1 4.33Å; D55-Y59 VanDerWaalsContact O-CB 3.28Å; D55-Y59 WeakPolarHBondContact O-CB 3.4Å; D55-Y59 PolarHBondContact O-N 2.97Å; D55-Y59 VanDerWaalsContact O-N 3.08Å; M56-Y59 PolarHBondContact O-N 3.46Å; V57-Y59 PolarHBondContact O-N 2.95Å; Y59-L61 VanDerWaalsContact C-N 3.35Å; Y59-H63 HydrophobicContact CD2-CB 4.25Å; Y59-H63 AromaticContact CD2-CG 3.98Å; Y59-H63 AromaticContact CD2-ND1 3.83Å; Y59-H63 HydrophobicContact CE2-CB 4.07Å; Y59-H63 AromaticContact CE2-CG 3.97Å; Y59-H63 VanDerWaalsContact O-CB 3.31Å; Y59-H63 WeakPolarHBondContact O-CB 3.14Å; Y59-H63 PolarHBondContact O-N 2.78Å; Y59-C64 VanDerWaalsContact CE1-SG 3.59Å
60L94.6Very high93.6Very high0 Ų049 Ų490%026%0.258CS..Hα-helixtrans-66.5-36.3179.7-72.8173.7000112.4A11 L19 M35 P44 L45 A48 M56 V57 E58 C64 S65 A66A11-L60 HydrophobicContact CB-CD1 4.27Å; L19-L60 HydrophobicContact CD2-CD2 3.78Å; L19-L60 HydrophobicContact CD2-CG 4.44Å; M35-L60 HydrophobicContact CE-CD2 4.39Å; M35-L60 HydrophobicContact SD-CD2 3.39Å; M35-L60 WeakPolarHBondContact SD-CD2 3.41Å; P44-L60 HydrophobicContact CB-CD1 4.45Å; L45-L60 HydrophobicContact CB-CD1 4.36Å; L45-L60 HydrophobicContact CD1-CB 4.21Å; L45-L60 HydrophobicContact CD1-CD1 4.35Å; A48-L60 HydrophobicContact CB-CD1 3.95Å; M56-L60 HydrophobicContact CG-CD1 3.88Å; M56-L60 HydrophobicContact CG-CG 4.32Å; M56-L60 WeakPolarHBondContact O-CB 3.4Å; M56-L60 WeakPolarHBondContact O-CG 3.47Å; M56-L60 PolarHBondContact O-N 3.38Å; M56-L60 HydrophobicContact SD-CD1 4.26Å; M56-L60 HydrophobicContact SD-CG 4.22Å; V57-L60 PolarHBondContact O-N 2.84Å; E58-L60 VanDerWaalsContact C-N 3.33Å; E58-L60 PolarHBondContact O-N 3.01Å; L60-C64 HydrophobicContact CD2-CB 4.41Å; L60-C64 CarbonylContact O-C 3.31Å; L60-C64 WeakPolarHBondContact O-CB 3.28Å; L60-C64 PolarHBondContact O-N 2.86Å; L60-S65 PolarHBondContact O-N 3.06Å; L60-A66 HydrophobicContact CB-CB 4.16Å; L60-A66 VanDerWaalsContact O-CB 3.3Å; L60-A66 WeakPolarHBondContact O-CB 3.22Å; L60-A66 PolarHBondContact O-N 2.95Å; L60-A66 VanDerWaalsContact O-N 3.16Å
61L94.4Very high93.4Very high23 Ų2347.8 Ų47.812%0.1226%0.259CS..Hα-helixtrans-75.3-50.5178.6-67.2169.7000111.4L45 V57 E58 Y59 I68 L102 H105L45-L61 HydrophobicContact CD1-CD2 4.23Å; L45-L61 HydrophobicContact CD1-CG 4.19Å; L45-L61 HydrophobicContact CD2-CD2 3.78Å; V57-L61 HydrophobicContact CG1-CD1 3.74Å; V57-L61 HydrophobicContact CG1-CG 4.48Å; V57-L61 VanDerWaalsContact O-CG 3.28Å; V57-L61 WeakPolarHBondContact O-CG 3.29Å; V57-L61 PolarHBondContact O-N 3.35Å; E58-L61 PolarHBondContact O-N 3.21Å; Y59-L61 VanDerWaalsContact C-N 3.35Å; L61-I68 HydrophobicContact CD1-CD1 4.46Å; L61-I68 HydrophobicContact CD2-CB 4.23Å; L61-I68 HydrophobicContact CD2-CD1 4.03Å; L61-I68 HydrophobicContact CD2-CG1 4.2Å; L61-L102 HydrophobicContact CD1-CD2 4.14Å; L61-H105 HydrophobicContact CD1-CB 3.96Å
62D92.3Very high93.3Very high102 Ų10242.8 Ų42.855%0.54524%0.24SC..Hα-helixtrans-73.7-39.3-173.9-74.2-26.9000113.5E58 H105E58-D62 WeakPolarHBondContact O-CB 3.49Å; E58-D62 PolarHBondContact O-N 2.91Å; D62-H105 IonicContact OD1-CD2 3.12Å; D62-H105 IonicContact OD1-NE2 3.08Å; D62-H105 PolarHBondContact OD1-NE2 3.48Å
63H87.4Confident93.3Very high112 Ų11242.4 Ų42.452%0.51923%0.234SC..Hα-helixtrans-108.8-23.4-167.8-59.374.8000113.4Y59Y59-H63 HydrophobicContact CD2-CB 4.25Å; Y59-H63 AromaticContact CD2-CG 3.98Å; Y59-H63 AromaticContact CD2-ND1 3.83Å; Y59-H63 HydrophobicContact CE2-CB 4.07Å; Y59-H63 AromaticContact CE2-CG 3.97Å; Y59-H63 VanDerWaalsContact O-CB 3.31Å; Y59-H63 WeakPolarHBondContact O-CB 3.14Å; Y59-H63 PolarHBondContact O-N 2.78Å
64C82.9Confident93.2Very high1 Ų140 Ų401%0.00722%0.222CC..Hα-helixtrans-113.21.4-172.9-510000113.9M35 Y59 L60 A66M35-C64 HydrophobicContact CE-CB 4.4Å; M35-C64 HydrophobicContact CG-CB 3.6Å; M35-C64 HydrophobicContact SD-CB 4.15Å; Y59-C64 VanDerWaalsContact CE1-SG 3.59Å; L60-C64 HydrophobicContact CD2-CB 4.41Å; L60-C64 CarbonylContact O-C 3.31Å; L60-C64 WeakPolarHBondContact O-CB 3.28Å; L60-C64 PolarHBondContact O-N 2.86Å; C64-A66 PolarHBondContact O-N 3.49Å; C64-A66 VanDerWaalsContact O-N 3.17Å
65S84.1Confident93Very high89 Ų8942.1 Ų42.162%0.62223%0.234SC*.  trans49.638-176.8-57.10000113L60 S67L60-S65 PolarHBondContact O-N 3.06Å; S65-S67 PolarHBondContact O-N 3.46Å
66A85.4Confident92.8Very high9 Ų938.2 Ų38.27%0.07421%0.212CC..  trans-62.8133.9-178.300000110.8M35 L45 L60 C64 I68M35-A66 HydrophobicContact CB-CB 4.04Å; M35-A66 HydrophobicContact CG-CB 4.19Å; L45-A66 HydrophobicContact CB-CB 4.13Å; L45-A66 HydrophobicContact CD2-CB 4Å; L60-A66 HydrophobicContact CB-CB 4.16Å; L60-A66 VanDerWaalsContact O-CB 3.3Å; L60-A66 WeakPolarHBondContact O-CB 3.22Å; L60-A66 PolarHBondContact O-N 2.95Å; L60-A66 VanDerWaalsContact O-N 3.16Å; C64-A66 PolarHBondContact O-N 3.49Å; C64-A66 VanDerWaalsContact O-N 3.17Å; A66-I68 PolarHBondContact O-N 3.26Å
67S87.9Confident92.4Very high62 Ų6245.3 Ų45.343%0.43425%0.25SS..  trans-72.8116.4-179.4-1730000111.1S65 E69 V70S65-S67 PolarHBondContact O-N 3.46Å; S67-E69 VanDerWaalsContact C-N 3.3Å; S67-E69 PolarHBondContact O-N 3.29Å; S67-V70 WeakPolarHBondContact OG-CG2 3.41Å
68I93.8Very high91.8Very high26 Ų2648.9 Ų48.913%0.13329%0.287CS..THydrogen-bonded Turntrans-73.3-18.6-172.5-161164.3000114L61 A66 P86 L102 H105 A107L61-I68 HydrophobicContact CD1-CD1 4.46Å; L61-I68 HydrophobicContact CD2-CB 4.23Å; L61-I68 HydrophobicContact CD2-CD1 4.03Å; L61-I68 HydrophobicContact CD2-CG1 4.2Å; A66-I68 PolarHBondContact O-N 3.26Å; I68-P86 VanDerWaalsContact O-CD 3.27Å; I68-P86 WeakPolarHBondContact O-CD 3.35Å; I68-P86 WeakPolarHBondContact O-CG 3.46Å; I68-L102 HydrophobicContact CD1-CB 4.48Å; I68-L102 HydrophobicContact CD1-CD2 3.95Å; I68-L102 VanDerWaalsContact CD1-O 3.31Å; I68-L102 WeakPolarHBondContact CD1-O 3.41Å; I68-L102 HydrophobicContact CG1-CD2 3.9Å; I68-H105 HydrophobicContact CD1-CB 3.86Å; I68-A107 HydrophobicContact CD1-CB 3.69Å; I68-A107 HydrophobicContact CG1-CB 3.94Å
69E95.6Very high91.5Very high62 Ų6252.1 Ų52.129%0.2930%0.302SS..THydrogen-bonded Turntrans-102.7-4.4-174.1-61.1-56.2151.100114.3S67 G71 A107 S108 N111S67-E69 VanDerWaalsContact C-N 3.3Å; S67-E69 PolarHBondContact O-N 3.29Å; E69-G71 PolarHBondContact O-N 3.14Å; E69-A107 WeakPolarHBondContact OE1-CA 3.5Å; E69-S108 PolarHBondContact OE1-N 2.97Å; E69-N111 PolarHBondContact O-ND2 3.11Å; E69-N111 WeakPolarHBondContact OE2-CB 3.41Å; E69-N111 PolarHBondContact OE2-ND2 3.27Å
70V94.2Very high91.4Very high41 Ų4153.6 Ų53.625%0.24832%0.316CS..  trans-71.4110-174.3176.40000110.5T43 S67T43-V70 HydrophobicContact CG2-CB 4.25Å; T43-V70 HydrophobicContact CG2-CG1 3.67Å; S67-V70 WeakPolarHBondContact OG-CG2 3.41Å
71G94.3Very high91.4Very high18 Ų1855.4 Ų55.419%0.18633%0.326CS..  trans-69.6145.4172.500000112.8K38 E69 A84K38-G71 VanDerWaalsContact CE-O 3.25Å; K38-G71 WeakPolarHBondContact CE-O 3.41Å; K38-G71 PolarHBondContact NZ-O 3.26Å; E69-G71 PolarHBondContact O-N 3.14Å; G71-A84 WeakPolarHBondContact CA-O 3.48Å
72G95.4Very high91.5Very high2 Ų258.6 Ų58.62%0.02134%0.34CS..EExtended strand (participates in β ladder)trans-149.6-169.6175.900000113.2G41 L46 G83 A84G41-G72 CarbonylContact O-C 3.48Å; G41-G72 WeakPolarHBondContact O-CA 3.33Å; L46-G72 VanDerWaalsContact CD2-CA 3.46Å; G72-G83 PolarHBondContact O-N 3.24Å; G72-G83 VanDerWaalsContact O-N 3.07Å; G72-A84 PolarHBondContact N-O 3.39Å; G72-A84 PolarHBondContact O-N 3.21Å
73S96.8Very high91.7Very high19 Ų1954.6 Ų54.613%0.13332%0.323CS..EExtended strand (participates in β ladder)trans-90.7126.6-178.7-41.30000110.5G41 I81 E82G41-S73 PolarHBondContact O-N 3.03Å; S73-I81 WeakPolarHBondContact CA-O 3.23Å; S73-E82 WeakPolarHBondContact CB-OE2 3.38Å; S73-E82 VanDerWaalsContact OG-CD 3.28Å; S73-E82 PolarHBondContact OG-OE1 3.45Å; S73-E82 PolarHBondContact OG-OE2 3.37Å
74V96.3Very high92.2Very high1 Ų149.3 Ų49.31%0.00630%0.298CS..EExtended strand (participates in β ladder)trans-132.2149.7176.6-62.50000111.3L46 M47 F76 T80 I81 A84 W88 A89L46-V74 HydrophobicContact CD1-CG1 3.72Å; L46-V74 HydrophobicContact CD2-CG1 3.77Å; L46-V74 HydrophobicContact CG-CG1 3.7Å; M47-V74 HydrophobicContact CE-CG1 3.75Å; V74-F76 HydrophobicContact CB-CE2 4.28Å; V74-F76 HydrophobicContact CG2-CD2 4.04Å; V74-F76 HydrophobicContact CG2-CE2 3.78Å; V74-T80 WeakPolarHBondContact O-CA 3.32Å; V74-I81 HydrophobicContact CG2-CB 4.06Å; V74-I81 PolarHBondContact N-O 2.94Å; V74-I81 PolarHBondContact O-N 3.34Å; V74-A84 HydrophobicContact CG1-CB 4.42Å; V74-A84 HydrophobicContact CG2-CB 3.66Å; V74-W88 HydrophobicContact CG2-CE3 4.5Å; V74-W88 HydrophobicContact CG2-CZ3 4Å; V74-A89 HydrophobicContact CG1-CB 4.27Å
75N94.1Very high93Very high84 Ų8449.3 Ų49.345%0.44930%0.298SS..EExtended strand (participates in β ladder)trans-106.2131.4179.8-68.774.8000111.8R50 E79 T80R50-N75 PolarHBondContact NE-O 3.41Å; R50-N75 PolarHBondContact NH2-O 2.9Å; N75-E79 VanDerWaalsContact CA-O 3.3Å; N75-E79 WeakPolarHBondContact CA-O 3.43Å; N75-T80 PolarHBondContact ND2-OG1 2.82Å
76F92.5Very high93.6Very high24 Ų2445.1 Ų45.111%0.10527%0.269CS..EExtended strand (participates in β ladder)trans-134.9127.7171.2-76.1-94.4000108.1R50 V74 G78 E79 I81 W88 A92 A93R50-F76 VanDerWaalsContact CD-CE2 3.48Å; V74-F76 HydrophobicContact CB-CE2 4.28Å; V74-F76 HydrophobicContact CG2-CD2 4.04Å; V74-F76 HydrophobicContact CG2-CE2 3.78Å; F76-G78 PolarHBondContact O-N 3.42Å; F76-E79 PolarHBondContact N-O 3.01Å; F76-E79 PolarHBondContact O-N 2.79Å; F76-I81 HydrophobicContact CB-CD1 4.35Å; F76-I81 HydrophobicContact CD2-CD1 4.06Å; F76-W88 HydrophobicContact CD2-CZ3 4.21Å; F76-W88 HydrophobicContact CE2-CH2 4.4Å; F76-W88 AromaticContact CE2-CZ3 3.75Å; F76-W88 HydrophobicContact CE2-CZ3 3.75Å; F76-W88 HydrophobicContact CZ-CZ3 4.44Å; F76-A92 HydrophobicContact CD1-CB 4.47Å; F76-A92 HydrophobicContact CE1-CB 3.66Å; F76-A92 HydrophobicContact CE2-CB 4.16Å; F76-A92 HydrophobicContact CZ-CB 3.46Å; F76-A92 VanDerWaalsContact CZ-CB 3.46Å; F76-A93 HydrophobicContact CE1-CB 4.05Å; F76-A93 HydrophobicContact CZ-CB 4.14Å
77D89.3Confident94.3Very high153 Ų15344.9 Ų44.982%0.81827%0.266SS*.THydrogen-bonded Turntrans50.132.5178.7-57.4-28000115.6E79D77-E79 VanDerWaalsContact C-N 3.29Å; D77-E79 PolarHBondContact O-N 3.49Å
78G84.8Confident94.8Very high75 Ų7542.6 Ų42.677%0.77325%0.248SC*.THydrogen-bonded Turntrans83-2.6-178.100000114.9F76F76-G78 PolarHBondContact O-N 3.42Å
79E89.5Confident95Very high142 Ų14241.3 Ų41.366%0.66424%0.242SC*.EExtended strand (participates in β ladder)trans-95.4135.8173.6-60-169170.300111.1N75 F76 D77N75-E79 VanDerWaalsContact CA-O 3.3Å; N75-E79 WeakPolarHBondContact CA-O 3.43Å; F76-E79 PolarHBondContact N-O 3.01Å; F76-E79 PolarHBondContact O-N 2.79Å; D77-E79 VanDerWaalsContact C-N 3.29Å; D77-E79 PolarHBondContact O-N 3.49Å
80T93.6Very high95.2Very high80 Ų8038.4 Ų38.449%0.49123%0.228SC..EExtended strand (participates in β ladder)trans-90.9125.6173-55.20000109.7V74 N75 E82V74-T80 WeakPolarHBondContact O-CA 3.32Å; N75-T80 PolarHBondContact ND2-OG1 2.82Å; T80-E82 VanDerWaalsContact CG2-OE1 3.31Å; T80-E82 WeakPolarHBondContact CG2-OE1 3.36Å
81I95.8Very high95.4Very high39 Ų3936.4 Ų36.420%0.222%0.216CC..EExtended strand (participates in β ladder)trans-108.4123.2178.9-57.9176.2000108.4S73 V74 F76 A84 W88 T113S73-I81 WeakPolarHBondContact CA-O 3.23Å; V74-I81 HydrophobicContact CG2-CB 4.06Å; V74-I81 PolarHBondContact N-O 2.94Å; V74-I81 PolarHBondContact O-N 3.34Å; F76-I81 HydrophobicContact CB-CD1 4.35Å; F76-I81 HydrophobicContact CD2-CD1 4.06Å; I81-A84 HydrophobicContact CG2-CB 4.47Å; I81-W88 HydrophobicContact CD1-CH2 3.39Å; I81-W88 HydrophobicContact CD1-CZ2 4.3Å; I81-W88 HydrophobicContact CD1-CZ3 4.01Å; I81-W88 HydrophobicContact CG2-CH2 4.06Å; I81-W88 HydrophobicContact CG2-CZ3 4.24Å; I81-T113 HydrophobicContact CG2-CG2 4.07Å
82E96.1Very high95.6Very high90 Ų9035.7 Ų35.742%0.42121%0.208SC..EExtended strand (participates in β ladder)trans-95.4146.5-176-64.7-59.4154.400113.1S73 T80 A84 L114S73-E82 WeakPolarHBondContact CB-OE2 3.38Å; S73-E82 VanDerWaalsContact OG-CD 3.28Å; S73-E82 PolarHBondContact OG-OE1 3.45Å; S73-E82 PolarHBondContact OG-OE2 3.37Å; T80-E82 VanDerWaalsContact CG2-OE1 3.31Å; T80-E82 WeakPolarHBondContact CG2-OE1 3.36Å; E82-A84 VanDerWaalsContact C-N 3.29Å; E82-A84 PolarHBondContact O-N 3.36Å; E82-L114 HydrophobicContact CB-CD1 3.72Å; E82-L114 HydrophobicContact CB-CG 4.34Å; E82-L114 PolarHBondContact O-N 3.23Å
83G96.6Very high95.7Very high18 Ų1836.8 Ų36.819%0.18622%0.217CC..EExtended strand (participates in β ladder)trans68.322.917800000114.3G72 P85 T113G72-G83 PolarHBondContact O-N 3.24Å; G72-G83 VanDerWaalsContact O-N 3.07Å; G83-P85 WeakPolarHBondContact O-CD 3.42Å; G83-T113 WeakPolarHBondContact O-CA 3.22Å
84A98.1Very high95.8Very high0 Ų037.1 Ų37.10%022%0.224CC..EExtended strand (participates in β ladder)trans-75.2120.6179.300000111.7L46 G71 G72 V74 I81 E82 W88 T113L46-A84 VanDerWaalsContact CD1-O 3.29Å; L46-A84 WeakPolarHBondContact CD1-O 3.26Å; G71-A84 WeakPolarHBondContact CA-O 3.48Å; G72-A84 PolarHBondContact N-O 3.39Å; G72-A84 PolarHBondContact O-N 3.21Å; V74-A84 HydrophobicContact CG1-CB 4.42Å; V74-A84 HydrophobicContact CG2-CB 3.66Å; I81-A84 HydrophobicContact CG2-CB 4.47Å; E82-A84 VanDerWaalsContact C-N 3.29Å; E82-A84 PolarHBondContact O-N 3.36Å; A84-W88 HydrophobicContact CB-CD2 4.27Å; A84-W88 HydrophobicContact CB-CE3 3.61Å; A84-W88 HydrophobicContact CB-CZ3 4.16Å; A84-T113 HydrophobicContact CB-CG2 4.17Å
85P98.1Very high95.9Very high2 Ų239.7 Ų39.71%0.01324%0.235CC..  trans-74.8160.717229.6-33.5000111.7G83 L87 W88 A89 N111G83-P85 WeakPolarHBondContact O-CD 3.42Å; P85-L87 VanDerWaalsContact C-N 3.31Å; P85-L87 PolarHBondContact O-N 2.64Å; P85-W88 HydrophobicContact CG-CB 3.75Å; P85-W88 WeakPolarHBondContact O-CB 3.46Å; P85-W88 PolarHBondContact O-N 3.3Å; P85-W88 VanDerWaalsContact O-N 3.07Å; P85-A89 PolarHBondContact O-N 2.93Å; P85-A89 VanDerWaalsContact O-N 3.08Å; P85-N111 HydrophobicContact CG-CB 4.32Å
86P98.4Very high96.1Very high0 Ų038.3 Ų38.30%023%0.228CC..Hα-helixtrans-50.5-44.4179-28.734.1000114.2L45 A49 I68 W88 A89 A90 L102L45-P86 HydrophobicContact CD2-CG 3.98Å; L45-P86 HydrophobicContact CG-CB 4.26Å; L45-P86 HydrophobicContact CG-CG 3.97Å; A49-P86 HydrophobicContact CB-CB 3.84Å; I68-P86 VanDerWaalsContact O-CD 3.27Å; I68-P86 WeakPolarHBondContact O-CD 3.35Å; I68-P86 WeakPolarHBondContact O-CG 3.46Å; P86-W88 VanDerWaalsContact C-N 3.33Å; P86-W88 PolarHBondContact O-N 3.12Å; P86-A89 PolarHBondContact O-N 2.75Å; P86-A90 WeakPolarHBondContact O-CB 3.45Å; P86-A90 PolarHBondContact O-N 3.5Å; P86-L102 HydrophobicContact CB-CD1 4.1Å; P86-L102 HydrophobicContact CB-CD2 4.11Å
87L98.8Very high96.4Very high4 Ų444 Ų442%0.02125%0.253CS..Hα-helixtrans-62.5-40.4179.6-179.763.1000112P85 S91 V99 L102 L103 A107 P119 L135P85-L87 VanDerWaalsContact C-N 3.31Å; P85-L87 PolarHBondContact O-N 2.64Å; L87-S91 VanDerWaalsContact O-CB 3.31Å; L87-S91 WeakPolarHBondContact O-CB 3.48Å; L87-S91 PolarHBondContact O-N 3.4Å; L87-S91 PolarHBondContact O-OG 3.23Å; L87-V99 HydrophobicContact CD1-CB 4.36Å; L87-V99 HydrophobicContact CD1-CG1 3.92Å; L87-V99 HydrophobicContact CD1-CG2 4.41Å; L87-L102 HydrophobicContact CB-CD1 4.31Å; L87-L102 HydrophobicContact CD1-CB 4.14Å; L87-L102 HydrophobicContact CD1-CD1 4.43Å; L87-L103 HydrophobicContact CD1-CD2 4.45Å; L87-L103 HydrophobicContact CD1-CG 4.09Å; L87-L103 HydrophobicContact CD2-CD2 3.79Å; L87-L103 HydrophobicContact CD2-CG 4.33Å; L87-A107 HydrophobicContact CB-CB 4.31Å; L87-A107 HydrophobicContact CD2-CB 4.05Å; L87-P119 HydrophobicContact CD2-CB 4.38Å; L87-P119 HydrophobicContact CD2-CG 3.98Å; L87-P119 HydrophobicContact CG-CB 4.06Å; L87-P119 HydrophobicContact CG-CG 3.95Å; L87-L135 HydrophobicContact CD1-CD2 4.48Å
88W98.8Very high96.9Very high14 Ų1436.9 Ų36.95%0.05321%0.214CC..Hα-helixtrans-63.4-47.4176.3-174.196.9000111V74 F76 I81 A84 P85 P86 A90 S91 A92 T113 S117 T118 P119 A122V74-W88 HydrophobicContact CG2-CE3 4.5Å; V74-W88 HydrophobicContact CG2-CZ3 4Å; F76-W88 HydrophobicContact CD2-CZ3 4.21Å; F76-W88 HydrophobicContact CE2-CH2 4.4Å; F76-W88 AromaticContact CE2-CZ3 3.75Å; F76-W88 HydrophobicContact CE2-CZ3 3.75Å; F76-W88 HydrophobicContact CZ-CZ3 4.44Å; I81-W88 HydrophobicContact CD1-CH2 3.39Å; I81-W88 HydrophobicContact CD1-CZ2 4.3Å; I81-W88 HydrophobicContact CD1-CZ3 4.01Å; I81-W88 HydrophobicContact CG2-CH2 4.06Å; I81-W88 HydrophobicContact CG2-CZ3 4.24Å; A84-W88 HydrophobicContact CB-CD2 4.27Å; A84-W88 HydrophobicContact CB-CE3 3.61Å; A84-W88 HydrophobicContact CB-CZ3 4.16Å; P85-W88 HydrophobicContact CG-CB 3.75Å; P85-W88 WeakPolarHBondContact O-CB 3.46Å; P85-W88 PolarHBondContact O-N 3.3Å; P85-W88 VanDerWaalsContact O-N 3.07Å; P86-W88 VanDerWaalsContact C-N 3.33Å; P86-W88 PolarHBondContact O-N 3.12Å; W88-A90 PolarHBondContact O-N 3.36Å; W88-S91 PolarHBondContact O-N 2.77Å; W88-A92 HydrophobicContact CE3-CB 4.42Å; W88-A92 HydrophobicContact CH2-CB 4.06Å; W88-A92 HydrophobicContact CZ3-CB 4.03Å; W88-A92 PolarHBondContact O-N 3Å; W88-T113 HydrophobicContact CD2-CG2 3.54Å; W88-T113 HydrophobicContact CE3-CG2 4.16Å; W88-T113 HydrophobicContact CG-CG2 3.79Å; W88-T113 HydrophobicContact CZ2-CG2 3.96Å; W88-S117 PolarHBondContact NE1-O 2.91Å; W88-S117 PolarHBondContact NE1-OG 3.17Å; W88-T118 VanDerWaalsContact CD1-C 3.43Å; W88-T118 PolarHBondContact NE1-O 3.17Å; W88-P119 HydrophobicContact CB-CG 4.29Å; W88-A122 HydrophobicContact CD2-CB 4.24Å; W88-A122 HydrophobicContact CG-CB 4.46Å; W88-A122 HydrophobicContact CZ2-CB 3.92Å
89A98.4Very high97.5Very high0 Ų033.3 Ų33.30%018%0.177CC..Hα-helixtrans-65.4-40.5-178.400000112.5L46 R50 V74 P85 P86 A93L46-A89 HydrophobicContact CD1-CB 3.74Å; R50-A89 HydrophobicContact CB-CB 4.06Å; V74-A89 HydrophobicContact CG1-CB 4.27Å; P85-A89 PolarHBondContact O-N 2.93Å; P85-A89 VanDerWaalsContact O-N 3.08Å; P86-A89 PolarHBondContact O-N 2.75Å; A89-A93 VanDerWaalsContact O-CB 3.29Å; A89-A93 WeakPolarHBondContact O-CB 3.35Å; A89-A93 PolarHBondContact O-N 2.92Å
90A98.7Very high98Very high0 Ų029.5 Ų29.50%016%0.16CC..Hα-helixtrans-64.8-39.2174.400000112.2A49 P86 W88 A93 G94 H95 V98 V99 L102A49-A90 HydrophobicContact CB-CB 4.34Å; P86-A90 WeakPolarHBondContact O-CB 3.45Å; P86-A90 PolarHBondContact O-N 3.5Å; W88-A90 PolarHBondContact O-N 3.36Å; A90-A93 PolarHBondContact O-N 2.97Å; A90-G94 PolarHBondContact O-N 3.47Å; A90-G94 VanDerWaalsContact O-N 3.14Å; A90-H95 PolarHBondContact O-N 3.28Å; A90-V98 HydrophobicContact CB-CB 4.17Å; A90-V98 HydrophobicContact CB-CG1 3.59Å; A90-V99 HydrophobicContact CB-CG2 3.92Å; A90-L102 HydrophobicContact CB-CD1 4.1Å
91S98.8Very high98.2Very high0 Ų026 Ų260%014%0.139CC..Hα-helixtrans-68-43.6179-59.80000112.2L87 W88 G94 P119 H128L87-S91 VanDerWaalsContact O-CB 3.31Å; L87-S91 WeakPolarHBondContact O-CB 3.48Å; L87-S91 PolarHBondContact O-N 3.4Å; L87-S91 PolarHBondContact O-OG 3.23Å; W88-S91 PolarHBondContact O-N 2.77Å; S91-G94 PolarHBondContact O-N 3.49Å; S91-P119 WeakPolarHBondContact CB-O 3.28Å; S91-H128 PolarHBondContact O-CD2 3.14Å; S91-H128 VanDerWaalsContact O-CD2 3.26Å
92A98.4Very high98.3Very high3 Ų324.2 Ų24.23%0.02513%0.129CC..Hα-helixtrans-62.1-44.517400000111.3F76 W88 G94 A122 H128F76-A92 HydrophobicContact CD1-CB 4.47Å; F76-A92 HydrophobicContact CE1-CB 3.66Å; F76-A92 HydrophobicContact CE2-CB 4.16Å; F76-A92 HydrophobicContact CZ-CB 3.46Å; F76-A92 VanDerWaalsContact CZ-CB 3.46Å; W88-A92 HydrophobicContact CE3-CB 4.42Å; W88-A92 HydrophobicContact CH2-CB 4.06Å; W88-A92 HydrophobicContact CZ3-CB 4.03Å; W88-A92 PolarHBondContact O-N 3Å; A92-G94 PolarHBondContact O-N 3.2Å; A92-A122 HydrophobicContact CB-CB 3.81Å; A92-H128 PolarHBondContact O-CD2 3.25Å; A92-H128 PolarHBondContact O-NE2 3.13Å
93A98.1Very high98.4Very high25 Ų2520.9 Ų20.921%0.20711%0.114CC..THydrogen-bonded Turntrans-76-4.3-17800000114.9R50 F76 A89 A90 H95R50-A93 WeakPolarHBondContact O-CB 3.21Å; F76-A93 HydrophobicContact CE1-CB 4.05Å; F76-A93 HydrophobicContact CZ-CB 4.14Å; A89-A93 VanDerWaalsContact O-CB 3.29Å; A89-A93 WeakPolarHBondContact O-CB 3.35Å; A89-A93 PolarHBondContact O-N 2.92Å; A90-A93 PolarHBondContact O-N 2.97Å; A93-H95 VanDerWaalsContact CB-CD2 3.47Å; A93-H95 WeakPolarHBondContact CB-CD2 3.38Å; A93-H95 WeakPolarHBondContact CB-NE2 3.46Å
94G98.4Very high98.5Very high26 Ų2625.5 Ų25.527%0.26814%0.135SC..THydrogen-bonded Turntrans80.221.2176.400000114.8A90 S91 A92 L96 H128 I131A90-G94 PolarHBondContact O-N 3.47Å; A90-G94 VanDerWaalsContact O-N 3.14Å; S91-G94 PolarHBondContact O-N 3.49Å; A92-G94 PolarHBondContact O-N 3.2Å; G94-L96 PolarHBondContact O-N 3.46Å; G94-H128 VanDerWaalsContact CA-CD2 3.46Å; G94-H128 WeakPolarHBondContact CA-CD2 3.32Å; G94-H128 WeakPolarHBondContact CA-NE2 3.29Å; G94-H128 PolarHBondContact N-NE2 3.35Å; G94-I131 VanDerWaalsContact C-CD1 3.47Å
95H98.7Very high98.4Very high54 Ų5429 Ų2925%0.2515%0.151CC..  trans-90.574.2-175.8-59.9-41.8000112.3A49 R50 G52 A90 A93 K97 V98 V99A49-H95 PolarHBondContact O-CD2 2.93Å; R50-H95 PolarHBondContact O-NE2 3.43Å; G52-H95 WeakPolarHBondContact CA-CD2 3.22Å; G52-H95 VanDerWaalsContact CA-CG 3.48Å; G52-H95 PolarHBondContact N-CD2 3.22Å; G52-H95 VanDerWaalsContact N-CD2 3.26Å; G52-H95 PolarHBondContact N-NE2 3.27Å; A90-H95 PolarHBondContact O-N 3.28Å; A93-H95 VanDerWaalsContact CB-CD2 3.47Å; A93-H95 WeakPolarHBondContact CB-CD2 3.38Å; A93-H95 WeakPolarHBondContact CB-NE2 3.46Å; H95-K97 PolarHBondContact O-N 3.31Å; H95-V98 HydrophobicContact CB-CB 3.97Å; H95-V98 HydrophobicContact CB-CG2 4.12Å; H95-V98 WeakPolarHBondContact O-CB 3.49Å; H95-V98 PolarHBondContact O-N 3Å; H95-V99 PolarHBondContact O-N 3.17Å
96L98.6Very high98.4Very high55 Ų5531.7 Ų31.729%0.28818%0.179SC..Hα-helixtrans-50.7-47.9-175.3177.862.1000113.7G94 V98 V99 Q100 E130 I131G94-L96 PolarHBondContact O-N 3.46Å; L96-V98 VanDerWaalsContact C-N 3.27Å; L96-V98 PolarHBondContact O-N 3.24Å; L96-V99 WeakPolarHBondContact O-CB 3.28Å; L96-V99 PolarHBondContact O-N 2.98Å; L96-V99 VanDerWaalsContact O-N 3.12Å; L96-Q100 HydrophobicContact CD1-CG 4.25Å; L96-Q100 HydrophobicContact CG-CG 4.47Å; L96-Q100 VanDerWaalsContact O-CG 3.31Å; L96-Q100 WeakPolarHBondContact O-CG 3.49Å; L96-Q100 PolarHBondContact O-N 3.31Å; L96-E130 HydrophobicContact CD2-CB 4.11Å; L96-I131 HydrophobicContact CB-CD1 4.4Å; L96-I131 HydrophobicContact CB-CG1 3.99Å; L96-I131 HydrophobicContact CD1-CG1 3.81Å; L96-I131 HydrophobicContact CG-CG1 4.5Å
97K98.8Very high98.3Very high145 Ų14532.1 Ų32.163%0.6318%0.182SC*.Hα-helixtrans-62-35.4-179.7-64.5-174.5177.3-176.30112.9L54 H95 C101L54-K97 HydrophobicContact CD1-CB 4.34Å; L54-K97 HydrophobicContact CD2-CB 4.02Å; L54-K97 HydrophobicContact CD2-CD 4.1Å; H95-K97 PolarHBondContact O-N 3.31Å; K97-C101 WeakPolarHBondContact O-CB 3.27Å; K97-C101 PolarHBondContact O-N 2.95Å
98V98.8Very high98.3Very high2 Ų234.6 Ų34.61%0.01220%0.2CC..Hα-helixtrans-71.2-40175.6173.40000110.6A49 L54 V57 A90 H95 L96 Q100 C101 L102A49-V98 HydrophobicContact CB-CG1 4.01Å; L54-V98 HydrophobicContact CB-CG2 4.38Å; L54-V98 HydrophobicContact CD1-CG2 4.43Å; V57-V98 HydrophobicContact CG1-CG1 4.49Å; V57-V98 HydrophobicContact CG2-CG1 4.11Å; A90-V98 HydrophobicContact CB-CB 4.17Å; A90-V98 HydrophobicContact CB-CG1 3.59Å; H95-V98 HydrophobicContact CB-CB 3.97Å; H95-V98 HydrophobicContact CB-CG2 4.12Å; H95-V98 WeakPolarHBondContact O-CB 3.49Å; H95-V98 PolarHBondContact O-N 3Å; L96-V98 VanDerWaalsContact C-N 3.27Å; L96-V98 PolarHBondContact O-N 3.24Å; V98-Q100 VanDerWaalsContact C-N 3.32Å; V98-Q100 PolarHBondContact O-N 3.27Å; V98-C101 PolarHBondContact O-N 2.98Å; V98-L102 HydrophobicContact CG1-CD1 3.76Å; V98-L102 HydrophobicContact CG1-CG 4.23Å; V98-L102 WeakPolarHBondContact O-CB 3.45Å; V98-L102 VanDerWaalsContact O-CG 3.24Å; V98-L102 WeakPolarHBondContact O-CG 3.4Å; V98-L102 PolarHBondContact O-N 3.03Å
99V98.8Very high98.3Very high0 Ų034.8 Ų34.80%020%0.203CC..Hα-helixtrans-58.4-46173.5169.80000111L87 A90 H95 L96 L102 L103 I131 Y134 L135L87-V99 HydrophobicContact CD1-CB 4.36Å; L87-V99 HydrophobicContact CD1-CG1 3.92Å; L87-V99 HydrophobicContact CD1-CG2 4.41Å; A90-V99 HydrophobicContact CB-CG2 3.92Å; H95-V99 PolarHBondContact O-N 3.17Å; L96-V99 WeakPolarHBondContact O-CB 3.28Å; L96-V99 PolarHBondContact O-N 2.98Å; L96-V99 VanDerWaalsContact O-N 3.12Å; V99-L102 PolarHBondContact O-N 3.49Å; V99-L103 HydrophobicContact CG1-CD1 4.12Å; V99-L103 PolarHBondContact O-N 3.45Å; V99-L103 VanDerWaalsContact O-N 3.09Å; V99-I131 HydrophobicContact CG1-CG2 4.29Å; V99-I131 HydrophobicContact CG2-CD1 4.27Å; V99-I131 HydrophobicContact CG2-CG2 4.17Å; V99-Y134 HydrophobicContact CG1-CD1 4.27Å; V99-L135 HydrophobicContact CG1-CD2 4.09Å; V99-L135 HydrophobicContact CG1-CG 4.5Å
100Q98.7Very high98.3Very high62 Ų6237.2 Ų37.229%0.2922%0.216SC..Hα-helixtrans-57.9-55.4175.8-68.2174-36.200110.7L96 V98 L102 L103 D104 Y134L96-Q100 HydrophobicContact CD1-CG 4.25Å; L96-Q100 HydrophobicContact CG-CG 4.47Å; L96-Q100 VanDerWaalsContact O-CG 3.31Å; L96-Q100 WeakPolarHBondContact O-CG 3.49Å; L96-Q100 PolarHBondContact O-N 3.31Å; V98-Q100 VanDerWaalsContact C-N 3.32Å; V98-Q100 PolarHBondContact O-N 3.27Å; Q100-L102 VanDerWaalsContact C-N 3.33Å; Q100-L102 PolarHBondContact O-N 3.32Å; Q100-L103 PolarHBondContact O-N 2.91Å; Q100-L103 VanDerWaalsContact O-N 3.16Å; Q100-D104 PolarHBondContact O-N 3.07Å; Q100-Y134 HydrophobicContact CB-CE1 4.29Å; Q100-Y134 HydrophobicContact CG-CD1 4.23Å; Q100-Y134 HydrophobicContact CG-CD2 4.27Å; Q100-Y134 HydrophobicContact CG-CE1 3.79Å; Q100-Y134 HydrophobicContact CG-CE2 3.82Å; Q100-Y134 HydrophobicContact CG-CG 4.45Å
101C98.4Very high98.3Very high8 Ų839.6 Ų39.65%0.05423%0.229CC..Hα-helixtrans-53.8-46.3177.9178.90000112.5L54 E58 K97 V98 L103 D104 H105L54-C101 HydrophobicContact CD1-CB 3.81Å; E58-C101 VanDerWaalsContact CG-SG 3.59Å; K97-C101 WeakPolarHBondContact O-CB 3.27Å; K97-C101 PolarHBondContact O-N 2.95Å; V98-C101 PolarHBondContact O-N 2.98Å; C101-L103 PolarHBondContact O-N 3.3Å; C101-D104 PolarHBondContact O-N 3.25Å; C101-H105 PolarHBondContact O-N 3.41Å; C101-H105 VanDerWaalsContact O-N 3.11Å; C101-H105 PolarHBondContact O-ND1 3.45Å
102L98.5Very high98.3Very high0 Ų041 Ų410%024%0.237CC..Hα-helixtrans-64.5-41.1-178.8-72.4167.8000112.1A49 V57 L61 I68 P86 L87 A90 V98 V99 Q100 H105 G106 A107A49-L102 HydrophobicContact CB-CD1 4.17Å; V57-L102 HydrophobicContact CG1-CD2 4.01Å; V57-L102 HydrophobicContact CG1-CG 4.3Å; L61-L102 HydrophobicContact CD1-CD2 4.14Å; I68-L102 HydrophobicContact CD1-CB 4.48Å; I68-L102 HydrophobicContact CD1-CD2 3.95Å; I68-L102 VanDerWaalsContact CD1-O 3.31Å; I68-L102 WeakPolarHBondContact CD1-O 3.41Å; I68-L102 HydrophobicContact CG1-CD2 3.9Å; P86-L102 HydrophobicContact CB-CD1 4.1Å; P86-L102 HydrophobicContact CB-CD2 4.11Å; L87-L102 HydrophobicContact CB-CD1 4.31Å; L87-L102 HydrophobicContact CD1-CB 4.14Å; L87-L102 HydrophobicContact CD1-CD1 4.43Å; A90-L102 HydrophobicContact CB-CD1 4.1Å; V98-L102 HydrophobicContact CG1-CD1 3.76Å; V98-L102 HydrophobicContact CG1-CG 4.23Å; V98-L102 WeakPolarHBondContact O-CB 3.45Å; V98-L102 VanDerWaalsContact O-CG 3.24Å; V98-L102 WeakPolarHBondContact O-CG 3.4Å; V98-L102 PolarHBondContact O-N 3.03Å; V99-L102 PolarHBondContact O-N 3.49Å; Q100-L102 VanDerWaalsContact C-N 3.33Å; Q100-L102 PolarHBondContact O-N 3.32Å; L102-H105 CarbonylContact O-C 3.54Å; L102-H105 PolarHBondContact O-N 3.09Å; L102-G106 PolarHBondContact O-N 3.26Å; L102-A107 HydrophobicContact CB-CB 4.16Å; L102-A107 WeakPolarHBondContact O-CB 3.19Å; L102-A107 PolarHBondContact O-N 2.99Å
103L98.3Very high98.3Very high20 Ų2041.1 Ų41.111%0.10524%0.238CC..Hα-helixtrans-68.8-38.3176.8-74.2171.5000112.3L87 V99 Q100 C101 H105 G106 V109 Y134 L135 H138L87-L103 HydrophobicContact CD1-CD2 4.45Å; L87-L103 HydrophobicContact CD1-CG 4.09Å; L87-L103 HydrophobicContact CD2-CD2 3.79Å; L87-L103 HydrophobicContact CD2-CG 4.33Å; V99-L103 HydrophobicContact CG1-CD1 4.12Å; V99-L103 PolarHBondContact O-N 3.45Å; V99-L103 VanDerWaalsContact O-N 3.09Å; Q100-L103 PolarHBondContact O-N 2.91Å; Q100-L103 VanDerWaalsContact O-N 3.16Å; C101-L103 PolarHBondContact O-N 3.3Å; L103-H105 PolarHBondContact O-N 2.9Å; L103-G106 PolarHBondContact O-N 3.46Å; L103-V109 HydrophobicContact CD2-CB 4.01Å; L103-V109 HydrophobicContact CD2-CG2 4.21Å; L103-Y134 HydrophobicContact CB-CE1 4.45Å; L103-Y134 HydrophobicContact CD1-CD1 3.7Å; L103-Y134 HydrophobicContact CD1-CE1 3.56Å; L103-L135 HydrophobicContact CD1-CD2 4.13Å; L103-H138 HydrophobicContact CD1-CB 4.02Å
104D97.6Very high98.2Very high115 Ų11546.3 Ų46.362%0.61526%0.261SS*.Hα-helixtrans-62-30.1175.4-65.2-20.3000111.6Q100 C101 G106Q100-D104 PolarHBondContact O-N 3.07Å; C101-D104 PolarHBondContact O-N 3.25Å; D104-G106 VanDerWaalsContact C-N 3.28Å; D104-G106 PolarHBondContact O-N 2.88Å
105H97.3Very high98.1Very high74 Ų7447.6 Ų47.634%0.34326%0.264SS..THydrogen-bonded Turntrans-87.211.9173.4-68.975.7000113.8L61 D62 I68 C101 L102 L103L61-H105 HydrophobicContact CD1-CB 3.96Å; D62-H105 IonicContact OD1-CD2 3.12Å; D62-H105 IonicContact OD1-NE2 3.08Å; D62-H105 PolarHBondContact OD1-NE2 3.48Å; I68-H105 HydrophobicContact CD1-CB 3.86Å; C101-H105 PolarHBondContact O-N 3.41Å; C101-H105 VanDerWaalsContact O-N 3.11Å; C101-H105 PolarHBondContact O-ND1 3.45Å; L102-H105 CarbonylContact O-C 3.54Å; L102-H105 PolarHBondContact O-N 3.09Å; L103-H105 PolarHBondContact O-N 2.9Å
106G96.6Very high98.1Very high58 Ų5848.3 Ų48.360%0.59827%0.27SS*.THydrogen-bonded Turntrans84.121.3171.600000115.5L102 L103 D104 S108L102-G106 PolarHBondContact O-N 3.26Å; L103-G106 PolarHBondContact O-N 3.46Å; D104-G106 VanDerWaalsContact C-N 3.28Å; D104-G106 PolarHBondContact O-N 2.88Å; G106-S108 PolarHBondContact O-N 3.17Å
107A97.9Very high98.1Very high9 Ų946.1 Ų46.17%0.07426%0.259CS..  trans-57.2137.8172.400000111.4I68 E69 L87 L102 V109I68-A107 HydrophobicContact CD1-CB 3.69Å; I68-A107 HydrophobicContact CG1-CB 3.94Å; E69-A107 WeakPolarHBondContact OE1-CA 3.5Å; L87-A107 HydrophobicContact CB-CB 4.31Å; L87-A107 HydrophobicContact CD2-CB 4.05Å; L102-A107 HydrophobicContact CB-CB 4.16Å; L102-A107 WeakPolarHBondContact O-CB 3.19Å; L102-A107 PolarHBondContact O-N 2.99Å; A107-V109 PolarHBondContact O-N 3.45Å; A107-V109 VanDerWaalsContact O-N 3.16Å
108S98.3Very high98.1Very high57 Ų5739.2 Ų39.240%0.39923%0.229SC..  trans-70.7109.8174.5178.10000110.7E69 G106 N110 N111E69-S108 PolarHBondContact OE1-N 2.97Å; G106-S108 PolarHBondContact O-N 3.17Å; S108-N110 PolarHBondContact O-N 2.94Å; S108-N111 PolarHBondContact O-N 3.22Å; S108-N111 VanDerWaalsContact O-N 3.09Å
109V98.6Very high98.1Very high18 Ų1839.1 Ų39.111%0.10923%0.228CC..THydrogen-bonded Turntrans-56.9-25.3-17771.90000114L103 A107 P119 L135 A140L103-V109 HydrophobicContact CD2-CB 4.01Å; L103-V109 HydrophobicContact CD2-CG2 4.21Å; A107-V109 PolarHBondContact O-N 3.45Å; A107-V109 VanDerWaalsContact O-N 3.16Å; V109-P119 VanDerWaalsContact O-CD 3.27Å; V109-P119 WeakPolarHBondContact O-CD 3.41Å; V109-P119 WeakPolarHBondContact O-CG 3.47Å; V109-L135 HydrophobicContact CG2-CD2 3.89Å; V109-A140 HydrophobicContact CG2-CB 3.75Å
110N98.4Very high98.1Very high50 Ų5039.1 Ų39.127%0.26723%0.228SC..THydrogen-bonded Turntrans-108.28.7-176.9-66.6-42.5000113.5S108 T112 A140 D141S108-N110 PolarHBondContact O-N 2.94Å; N110-T112 VanDerWaalsContact O-CG2 3.25Å; N110-T112 WeakPolarHBondContact O-CG2 3.42Å; N110-T112 PolarHBondContact O-N 3.08Å; N110-A140 WeakPolarHBondContact OD1-CA 3.11Å; N110-D141 PolarHBondContact OD1-N 2.74Å
111N98.3Very high98.1Very high50 Ų5037.3 Ų37.327%0.26722%0.219SC..  trans-67.8133.1176.1-169.59.9000110.9E69 P85 S108 P119E69-N111 PolarHBondContact O-ND2 3.11Å; E69-N111 WeakPolarHBondContact OE2-CB 3.41Å; E69-N111 PolarHBondContact OE2-ND2 3.27Å; P85-N111 HydrophobicContact CG-CB 4.32Å; S108-N111 PolarHBondContact O-N 3.22Å; S108-N111 VanDerWaalsContact O-N 3.09Å; N111-P119 WeakPolarHBondContact O-CD 3.46Å
112T98.4Very high98.1Very high30 Ų3037.2 Ų37.218%0.18422%0.218CC..  trans-113.5164.6-164.663.90000113.4N110 N116 S117 T118N110-T112 VanDerWaalsContact O-CG2 3.25Å; N110-T112 WeakPolarHBondContact O-CG2 3.42Å; N110-T112 PolarHBondContact O-N 3.08Å; T112-N116 PolarHBondContact OG1-OD1 3.32Å; T112-N116 VanDerWaalsContact OG1-OD1 3.13Å; T112-S117 VanDerWaalsContact CA-O 3.26Å; T112-S117 WeakPolarHBondContact CA-O 3.44Å; T112-S117 WeakPolarHBondContact CB-O 3.44Å; T112-T118 HydrophobicContact CG2-CG2 3.76Å
113T98.3Very high98.1Very high5 Ų537.2 Ų37.23%0.03122%0.218CC..  trans-73.2174.9164.370.70000111.6I81 G83 A84 W88 T115 N116 S117I81-T113 HydrophobicContact CG2-CG2 4.07Å; G83-T113 WeakPolarHBondContact O-CA 3.22Å; A84-T113 HydrophobicContact CB-CG2 4.17Å; W88-T113 HydrophobicContact CD2-CG2 3.54Å; W88-T113 HydrophobicContact CE3-CG2 4.16Å; W88-T113 HydrophobicContact CG-CG2 3.79Å; W88-T113 HydrophobicContact CZ2-CG2 3.96Å; T113-T115 PolarHBondContact O-N 2.7Å; T113-T115 PolarHBondContact OG1-N 3.37Å; T113-T115 PolarHBondContact OG1-OG1 3.16Å; T113-N116 WeakPolarHBondContact O-CA 3.48Å; T113-N116 PolarHBondContact O-N 3.04Å; T113-S117 PolarHBondContact N-O 3.13Å; T113-S117 VanDerWaalsContact N-O 3.09Å; T113-S117 WeakPolarHBondContact OG1-CB 3.5Å; T113-S117 PolarHBondContact OG1-N 3.19Å
114L97.1Very high98.1Very high135 Ų13536.2 Ų36.271%0.70721%0.213SC*.THydrogen-bonded Turntrans-60.8-16.9173.6-64.2-173.7000114.3E82 N116E82-L114 HydrophobicContact CB-CD1 3.72Å; E82-L114 HydrophobicContact CB-CG 4.34Å; E82-L114 PolarHBondContact O-N 3.23Å; L114-N116 VanDerWaalsContact C-N 3.27Å
115T96Very high98.2Very high52 Ų5234.3 Ų34.332%0.31920%0.2SC..THydrogen-bonded Turntrans-91.110174.161.80000112.8T113 S117 N146 R147T113-T115 PolarHBondContact O-N 2.7Å; T113-T115 PolarHBondContact OG1-N 3.37Å; T113-T115 PolarHBondContact OG1-OG1 3.16Å; T115-S117 PolarHBondContact O-N 3.23Å; T115-N146 CarbonylContact O-C 3.57Å; T115-N146 WeakPolarHBondContact O-CA 3.41Å; T115-N146 WeakPolarHBondContact O-CB 3.19Å; T115-R147 PolarHBondContact O-N 3.15Å
116N98.3Very high98.2Very high69 Ų6933.6 Ų33.637%0.36920%0.198SC..  trans59.931.5-172.9-152.352.5000113.3T112 T113 L114 S145 N146T112-N116 PolarHBondContact OG1-OD1 3.32Å; T112-N116 VanDerWaalsContact OG1-OD1 3.13Å; T113-N116 WeakPolarHBondContact O-CA 3.48Å; T113-N116 PolarHBondContact O-N 3.04Å; L114-N116 VanDerWaalsContact C-N 3.27Å; N116-S145 PolarHBondContact ND2-O 3.04Å; N116-N146 WeakPolarHBondContact O-CA 3.36Å
117S98.5Very high98.2Very high9 Ų932.1 Ų32.16%0.06318%0.183CC..  trans-83.7121.8175.9-169.70000110.1W88 T112 T113 T115W88-S117 PolarHBondContact NE1-O 2.91Å; W88-S117 PolarHBondContact NE1-OG 3.17Å; T112-S117 VanDerWaalsContact CA-O 3.26Å; T112-S117 WeakPolarHBondContact CA-O 3.44Å; T112-S117 WeakPolarHBondContact CB-O 3.44Å; T113-S117 PolarHBondContact N-O 3.13Å; T113-S117 VanDerWaalsContact N-O 3.09Å; T113-S117 WeakPolarHBondContact OG1-CB 3.5Å; T113-S117 PolarHBondContact OG1-N 3.19Å; T115-S117 PolarHBondContact O-N 3.23Å
118T98.7Very high98.3Very high0 Ų034.3 Ų34.30%019%0.192CC..  trans-79.1161.4176.557.90000112.2W88 T112 L120 R121 A122 V144W88-T118 VanDerWaalsContact CD1-C 3.43Å; W88-T118 PolarHBondContact NE1-O 3.17Å; T112-T118 HydrophobicContact CG2-CG2 3.76Å; T118-L120 PolarHBondContact O-N 3.46Å; T118-R121 PolarHBondContact O-N 3.34Å; T118-R121 VanDerWaalsContact O-N 3.14Å; T118-R121 WeakPolarHBondContact OG1-CB 3.36Å; T118-R121 PolarHBondContact OG1-N 2.95Å; T118-A122 PolarHBondContact O-N 3.13Å; T118-V144 HydrophobicContact CG2-CB 3.78Å; T118-V144 HydrophobicContact CG2-CG1 3.41Å; T118-V144 VanDerWaalsContact CG2-CG1 3.41Å
119P98.8Very high98.3Very high0 Ų033 Ų330%018%0.18CC..Hα-helixtrans-57.1-37170.1-24.735.7000112L87 W88 S91 V109 N111 A122 A123 L135L87-P119 HydrophobicContact CD2-CB 4.38Å; L87-P119 HydrophobicContact CD2-CG 3.98Å; L87-P119 HydrophobicContact CG-CB 4.06Å; L87-P119 HydrophobicContact CG-CG 3.95Å; W88-P119 HydrophobicContact CB-CG 4.29Å; S91-P119 WeakPolarHBondContact CB-O 3.28Å; V109-P119 VanDerWaalsContact O-CD 3.27Å; V109-P119 WeakPolarHBondContact O-CD 3.41Å; V109-P119 WeakPolarHBondContact O-CG 3.47Å; N111-P119 WeakPolarHBondContact O-CD 3.46Å; P119-A122 WeakPolarHBondContact O-CB 3.32Å; P119-A122 PolarHBondContact O-N 3.43Å; P119-A123 PolarHBondContact O-N 2.97Å; P119-L135 HydrophobicContact CB-CD1 4.15Å; P119-L135 HydrophobicContact CB-CD2 4.23Å
120L98.9Very high98.3Very high0 Ų037 Ų370%020%0.198CC..Hα-helixtrans-60.6-47.1174.3178.362.9000111.3T118 A122 A123 C124 V132 L135 V136 A140 L142 C152T118-L120 PolarHBondContact O-N 3.46Å; L120-A122 VanDerWaalsContact C-N 3.29Å; L120-A122 PolarHBondContact O-N 3.27Å; L120-A123 PolarHBondContact O-N 2.97Å; L120-C124 WeakPolarHBondContact O-CB 3.03Å; L120-C124 PolarHBondContact O-N 2.97Å; L120-C124 PolarHBondContact O-SG 3.09Å; L120-V132 HydrophobicContact CD1-CB 4.33Å; L120-V132 HydrophobicContact CD1-CG1 3.86Å; L120-V132 HydrophobicContact CD1-CG2 4.34Å; L120-L135 HydrophobicContact CB-CD1 4.33Å; L120-L135 HydrophobicContact CD1-CB 4.33Å; L120-V136 HydrophobicContact CD1-CG2 3.81Å; L120-V136 HydrophobicContact CD2-CG2 4.16Å; L120-A140 HydrophobicContact CB-CB 4.14Å; L120-A140 HydrophobicContact CD2-CB 4.01Å; L120-L142 HydrophobicContact CD2-CD2 3.69Å; L120-C152 HydrophobicContact CD2-CB 4.46Å; L120-C152 HydrophobicContact CG-CB 4.44Å
121R98.8Very high98.3Very high25 Ų2534.8 Ų34.89%0.09419%0.186CC..Hα-helixtrans-61.7-37.9176.8-179.6175.9-167.1-361.9111.9T118 C124 F125 H150 I155T118-R121 PolarHBondContact O-N 3.34Å; T118-R121 VanDerWaalsContact O-N 3.14Å; T118-R121 WeakPolarHBondContact OG1-CB 3.36Å; T118-R121 PolarHBondContact OG1-N 2.95Å; R121-C124 PolarHBondContact O-N 3.4Å; R121-F125 PolarHBondContact O-N 2.82Å; R121-H150 PolarHBondContact NH2-ND1 2.69Å; R121-I155 HydrophobicContact CG-CG2 4.26Å
122A98.6Very high98.4Very high5 Ų532.4 Ų32.44%0.04117%0.173CC..Hα-helixtrans-62.3-50.8174.800000112W88 A92 T118 P119 L120 C124 F125 D126W88-A122 HydrophobicContact CD2-CB 4.24Å; W88-A122 HydrophobicContact CG-CB 4.46Å; W88-A122 HydrophobicContact CZ2-CB 3.92Å; A92-A122 HydrophobicContact CB-CB 3.81Å; T118-A122 PolarHBondContact O-N 3.13Å; P119-A122 WeakPolarHBondContact O-CB 3.32Å; P119-A122 PolarHBondContact O-N 3.43Å; L120-A122 VanDerWaalsContact C-N 3.29Å; L120-A122 PolarHBondContact O-N 3.27Å; A122-C124 VanDerWaalsContact C-N 3.27Å; A122-C124 PolarHBondContact O-N 3.33Å; A122-F125 WeakPolarHBondContact O-CB 3.33Å; A122-F125 PolarHBondContact O-N 3.19Å; A122-D126 PolarHBondContact O-N 2.98Å
123A98.8Very high98.4Very high0 Ų033.8 Ų33.80%018%0.176CC..Hα-helixtrans-60.9-37176.700000112.4P119 L120 F125 G127 H128 I131 V132 L135P119-A123 PolarHBondContact O-N 2.97Å; L120-A123 PolarHBondContact O-N 2.97Å; A123-F125 VanDerWaalsContact C-N 3.31Å; A123-F125 PolarHBondContact O-N 3.32Å; A123-G127 PolarHBondContact O-N 3.08Å; A123-H128 HydrophobicContact CB-CB 4.42Å; A123-H128 PolarHBondContact O-N 3.5Å; A123-I131 HydrophobicContact CB-CB 4.12Å; A123-I131 HydrophobicContact CB-CG2 3.64Å; A123-V132 HydrophobicContact CB-CG2 3.71Å; A123-L135 HydrophobicContact CB-CD1 4.19Å
124C98.8Very high98.4Very high0 Ų035.3 Ų35.30%018%0.182CC..Hα-helixtrans-67.5-26.4174.6-68.10000113.6L120 R121 A122 I155 H161 I164L120-C124 WeakPolarHBondContact O-CB 3.03Å; L120-C124 PolarHBondContact O-N 2.97Å; L120-C124 PolarHBondContact O-SG 3.09Å; R121-C124 PolarHBondContact O-N 3.4Å; A122-C124 VanDerWaalsContact C-N 3.27Å; A122-C124 PolarHBondContact O-N 3.33Å; C124-I155 HydrophobicContact CB-CG2 3.87Å; C124-H161 PolarHBondContact O-CD2 3.43Å; C124-H161 VanDerWaalsContact O-CD2 3.23Å; C124-I164 HydrophobicContact CB-CG2 4.4Å
125F98.3Very high98.5Very high75 Ų7528.9 Ų28.933%0.32915%0.148SC..Hα-helixtrans-73.7-44.7179.4179.8-88.7000111.3R121 A122 A123 I155 K159 H161R121-F125 PolarHBondContact O-N 2.82Å; A122-F125 WeakPolarHBondContact O-CB 3.33Å; A122-F125 PolarHBondContact O-N 3.19Å; A123-F125 VanDerWaalsContact C-N 3.31Å; A123-F125 PolarHBondContact O-N 3.32Å; F125-I155 HydrophobicContact CB-CG1 4.15Å; F125-I155 HydrophobicContact CD2-CD1 3.65Å; F125-I155 HydrophobicContact CD2-CG1 3.68Å; F125-I155 HydrophobicContact CE2-CD1 4.15Å; F125-I155 HydrophobicContact CG-CG1 4.35Å; F125-K159 VanDerWaalsContact CD2-CE 3.47Å; F125-K159 VanDerWaalsContact CE1-NZ 3.31Å; F125-K159 VanDerWaalsContact O-CE 3.3Å; F125-K159 WeakPolarHBondContact O-CE 3.49Å; F125-K159 WeakPolarHBondContact O-CG 3.42Å; F125-H161 PolarHBondContact O-NE2 3.43Å
126D97.2Very high98.6Very high58 Ų5827.5 Ų27.531%0.3114%0.14SC..Hα-helixtrans-93.5-5.5-177-74.9-25.6000114.5A122 H128A122-D126 PolarHBondContact O-N 2.98Å; D126-H128 VanDerWaalsContact CB-NE2 3.35Å; D126-H128 WeakPolarHBondContact CB-NE2 3.47Å
127G98.1Very high98.6Very high27 Ų2730.1 Ų30.128%0.27815%0.15SC..THydrogen-bonded Turntrans90.822.5170.300000114.8A123 L129 H161A123-G127 PolarHBondContact O-N 3.08Å; G127-L129 PolarHBondContact O-N 3.5Å; G127-H161 WeakPolarHBondContact CA-NE2 3.04Å; G127-H161 PolarHBondContact N-NE2 3.34Å
128H98.7Very high98.6Very high55 Ų5533 Ų3326%0.25516%0.162SC..  trans-82.376.6-176.6-56.5-51.2000111.9S91 A92 G94 A123 D126 E130 I131 V132S91-H128 PolarHBondContact O-CD2 3.14Å; S91-H128 VanDerWaalsContact O-CD2 3.26Å; A92-H128 PolarHBondContact O-CD2 3.25Å; A92-H128 PolarHBondContact O-NE2 3.13Å; G94-H128 VanDerWaalsContact CA-CD2 3.46Å; G94-H128 WeakPolarHBondContact CA-CD2 3.32Å; G94-H128 WeakPolarHBondContact CA-NE2 3.29Å; G94-H128 PolarHBondContact N-NE2 3.35Å; A123-H128 HydrophobicContact CB-CB 4.42Å; A123-H128 PolarHBondContact O-N 3.5Å; D126-H128 VanDerWaalsContact CB-NE2 3.35Å; D126-H128 WeakPolarHBondContact CB-NE2 3.47Å; H128-E130 VanDerWaalsContact C-N 3.35Å; H128-E130 PolarHBondContact O-N 2.75Å; H128-I131 HydrophobicContact CB-CB 4.01Å; H128-I131 HydrophobicContact CB-CD1 3.89Å; H128-I131 HydrophobicContact CB-CG1 4.16Å; H128-I131 WeakPolarHBondContact O-CB 3.46Å; H128-I131 PolarHBondContact O-N 2.75Å; H128-I131 VanDerWaalsContact O-N 3.09Å; H128-V132 PolarHBondContact O-N 3.44Å
129L98.7Very high98.6Very high30 Ų3041.6 Ų41.616%0.15720%0.199CC..Hα-helixtrans-52.5-45.5-173.517863.2000113.9G127 I131 V132 K133 E163 I164G127-L129 PolarHBondContact O-N 3.5Å; L129-I131 VanDerWaalsContact C-N 3.3Å; L129-I131 PolarHBondContact O-N 3.08Å; L129-V132 WeakPolarHBondContact O-CB 3.43Å; L129-V132 PolarHBondContact O-N 3.25Å; L129-K133 HydrophobicContact CD1-CG 4.4Å; L129-K133 HydrophobicContact CG-CD 4.43Å; L129-K133 WeakPolarHBondContact O-CG 3.5Å; L129-K133 PolarHBondContact O-N 3.16Å; L129-E163 HydrophobicContact CD1-CB 4.48Å; L129-E163 HydrophobicContact CD2-CB 4.04Å; L129-I164 HydrophobicContact CB-CG1 4.16Å; L129-I164 HydrophobicContact CD1-CG1 3.77Å
130E98.8Very high98.6Very high102 Ų10242 Ų4248%0.47720%0.203SC..Hα-helixtrans-67-33.3-178-61.1-53.3120.700112.1L96 H128 K133 Y134L96-E130 HydrophobicContact CD2-CB 4.11Å; H128-E130 VanDerWaalsContact C-N 3.35Å; H128-E130 PolarHBondContact O-N 2.75Å; E130-K133 IonicContact OE1-NZ 2.75Å; E130-K133 PolarHBondContact OE1-NZ 2.91Å; E130-K133 IonicContact OE2-NZ 2.7Å; E130-Y134 WeakPolarHBondContact O-CB 3.48Å; E130-Y134 PolarHBondContact O-N 3.4Å
131I98.9Very high98.5Very high4 Ų445.6 Ų45.62%0.02122%0.222CC..Hα-helixtrans-69.4-42.2172.6-64.3178.3000110.1G94 L96 V99 A123 H128 L129 K133 Y134 L135G94-I131 VanDerWaalsContact C-CD1 3.47Å; L96-I131 HydrophobicContact CB-CD1 4.4Å; L96-I131 HydrophobicContact CB-CG1 3.99Å; L96-I131 HydrophobicContact CD1-CG1 3.81Å; L96-I131 HydrophobicContact CG-CG1 4.5Å; V99-I131 HydrophobicContact CG1-CG2 4.29Å; V99-I131 HydrophobicContact CG2-CD1 4.27Å; V99-I131 HydrophobicContact CG2-CG2 4.17Å; A123-I131 HydrophobicContact CB-CB 4.12Å; A123-I131 HydrophobicContact CB-CG2 3.64Å; H128-I131 HydrophobicContact CB-CB 4.01Å; H128-I131 HydrophobicContact CB-CD1 3.89Å; H128-I131 HydrophobicContact CB-CG1 4.16Å; H128-I131 WeakPolarHBondContact O-CB 3.46Å; H128-I131 PolarHBondContact O-N 2.75Å; H128-I131 VanDerWaalsContact O-N 3.09Å; L129-I131 VanDerWaalsContact C-N 3.3Å; L129-I131 PolarHBondContact O-N 3.08Å; I131-K133 VanDerWaalsContact C-N 3.34Å; I131-K133 PolarHBondContact O-N 3.38Å; I131-Y134 PolarHBondContact O-N 2.68Å; I131-L135 HydrophobicContact CG2-CD1 3.65Å; I131-L135 HydrophobicContact CG2-CG 4.04Å; I131-L135 WeakPolarHBondContact O-CB 3.37Å; I131-L135 WeakPolarHBondContact O-CG 3.44Å; I131-L135 PolarHBondContact O-N 3.39Å
132V98.9Very high98.5Very high0 Ų045.4 Ų45.40%022%0.223CC..Hα-helixtrans-56.6-49.4174.9168.20000110.9L120 A123 H128 L129 Y134 L135 V136 I164 Y167 L168L120-V132 HydrophobicContact CD1-CB 4.33Å; L120-V132 HydrophobicContact CD1-CG1 3.86Å; L120-V132 HydrophobicContact CD1-CG2 4.34Å; A123-V132 HydrophobicContact CB-CG2 3.71Å; H128-V132 PolarHBondContact O-N 3.44Å; L129-V132 WeakPolarHBondContact O-CB 3.43Å; L129-V132 PolarHBondContact O-N 3.25Å; V132-Y134 PolarHBondContact O-N 2.87Å; V132-L135 PolarHBondContact O-N 2.81Å; V132-V136 VanDerWaalsContact O-CG2 3.3Å; V132-V136 WeakPolarHBondContact O-CG2 3.21Å; V132-V136 PolarHBondContact O-N 3.19Å; V132-V136 VanDerWaalsContact O-N 3.08Å; V132-I164 HydrophobicContact CG1-CG2 4.2Å; V132-I164 HydrophobicContact CG2-CD1 4.15Å; V132-I164 HydrophobicContact CG2-CG1 4.49Å; V132-I164 HydrophobicContact CG2-CG2 4.17Å; V132-Y167 HydrophobicContact CG1-CD1 3.87Å; V132-Y167 HydrophobicContact CG1-CE1 4.11Å; V132-L168 HydrophobicContact CG1-CD2 4.29Å
133K98.8Very high98.5Very high58 Ų5847.7 Ų47.725%0.25223%0.232SC..Hα-helixtrans-57.4-51.4177.7-70.4174.2-176.1161.90111.1L129 E130 I131 L135 V136 E137 Y167L129-K133 HydrophobicContact CD1-CG 4.4Å; L129-K133 HydrophobicContact CG-CD 4.43Å; L129-K133 WeakPolarHBondContact O-CG 3.5Å; L129-K133 PolarHBondContact O-N 3.16Å; E130-K133 IonicContact OE1-NZ 2.75Å; E130-K133 PolarHBondContact OE1-NZ 2.91Å; E130-K133 IonicContact OE2-NZ 2.7Å; I131-K133 VanDerWaalsContact C-N 3.34Å; I131-K133 PolarHBondContact O-N 3.38Å; K133-L135 PolarHBondContact O-N 3.44Å; K133-V136 PolarHBondContact O-N 3.01Å; K133-E137 WeakPolarHBondContact O-CG 3.25Å; K133-E137 PolarHBondContact O-N 3.4Å; K133-Y167 HydrophobicContact CB-CE1 4.38Å; K133-Y167 HydrophobicContact CG-CD1 4.32Å; K133-Y167 HydrophobicContact CG-CD2 4.19Å; K133-Y167 HydrophobicContact CG-CE1 4Å; K133-Y167 HydrophobicContact CG-CE2 3.86Å; K133-Y167 HydrophobicContact CG-CG 4.4Å
134Y98.8Very high98.5Very high38 Ų3849.4 Ų49.415%0.14924%0.243CC..Hα-helixtrans-59.6-46.1-178.3-163.5-94.5000112.2V99 Q100 L103 E130 I131 V132 V136 E137 H138V99-Y134 HydrophobicContact CG1-CD1 4.27Å; Q100-Y134 HydrophobicContact CB-CE1 4.29Å; Q100-Y134 HydrophobicContact CG-CD1 4.23Å; Q100-Y134 HydrophobicContact CG-CD2 4.27Å; Q100-Y134 HydrophobicContact CG-CE1 3.79Å; Q100-Y134 HydrophobicContact CG-CE2 3.82Å; Q100-Y134 HydrophobicContact CG-CG 4.45Å; L103-Y134 HydrophobicContact CB-CE1 4.45Å; L103-Y134 HydrophobicContact CD1-CD1 3.7Å; L103-Y134 HydrophobicContact CD1-CE1 3.56Å; E130-Y134 WeakPolarHBondContact O-CB 3.48Å; E130-Y134 PolarHBondContact O-N 3.4Å; I131-Y134 PolarHBondContact O-N 2.68Å; V132-Y134 PolarHBondContact O-N 2.87Å; Y134-V136 PolarHBondContact O-N 3.48Å; Y134-E137 PolarHBondContact O-N 3Å; Y134-H138 AromaticContact CD1-CE1 3.85Å; Y134-H138 AromaticContact CD1-ND1 3.64Å; Y134-H138 AromaticContact CD2-CE1 3.92Å; Y134-H138 AromaticContact CE1-CE1 3.34Å; Y134-H138 WeakPolarHBondContact CE1-CE1 3.32Å; Y134-H138 AromaticContact CE1-ND1 3.52Å; Y134-H138 AromaticContact CE1-NE2 3.76Å; Y134-H138 AromaticContact CE2-CE1 3.43Å; Y134-H138 VanDerWaalsContact CE2-CE1 3.43Å; Y134-H138 WeakPolarHBondContact CE2-CE1 3.47Å; Y134-H138 AromaticContact CG-ND1 3.98Å; Y134-H138 AromaticContact CZ-CE1 3.1Å; Y134-H138 AromaticContact CZ-ND1 3.77Å; Y134-H138 AromaticContact CZ-NE2 3.54Å; Y134-H138 PolarHBondContact O-N 2.9Å; Y134-H138 PolarHBondContact O-ND1 2.89Å; Y134-H138 PolarHBondContact OH-CE1 3.24Å; Y134-H138 PolarHBondContact OH-NE2 2.99Å
135L98.8Very high98.4Very high0 Ų050.5 Ų50.50%025%0.25CS..Hα-helixtrans-60.7-43.9178-71.3171.6000111.6L87 V99 L103 V109 P119 L120 A123 I131 V132 K133 H138 K139 A140L87-L135 HydrophobicContact CD1-CD2 4.48Å; V99-L135 HydrophobicContact CG1-CD2 4.09Å; V99-L135 HydrophobicContact CG1-CG 4.5Å; L103-L135 HydrophobicContact CD1-CD2 4.13Å; V109-L135 HydrophobicContact CG2-CD2 3.89Å; P119-L135 HydrophobicContact CB-CD1 4.15Å; P119-L135 HydrophobicContact CB-CD2 4.23Å; L120-L135 HydrophobicContact CB-CD1 4.33Å; L120-L135 HydrophobicContact CD1-CB 4.33Å; A123-L135 HydrophobicContact CB-CD1 4.19Å; I131-L135 HydrophobicContact CG2-CD1 3.65Å; I131-L135 HydrophobicContact CG2-CG 4.04Å; I131-L135 WeakPolarHBondContact O-CB 3.37Å; I131-L135 WeakPolarHBondContact O-CG 3.44Å; I131-L135 PolarHBondContact O-N 3.39Å; V132-L135 PolarHBondContact O-N 2.81Å; K133-L135 PolarHBondContact O-N 3.44Å; L135-H138 CarbonylContact O-C 3.56Å; L135-H138 VanDerWaalsContact O-C 3.31Å; L135-H138 WeakPolarHBondContact O-CA 3.29Å; L135-H138 PolarHBondContact O-N 3.18Å; L135-H138 VanDerWaalsContact O-N 3.14Å; L135-K139 PolarHBondContact O-N 2.76Å; L135-A140 HydrophobicContact CB-CB 4.03Å; L135-A140 WeakPolarHBondContact O-CB 3.31Å; L135-A140 PolarHBondContact O-N 3.47Å
136V98.6Very high98.4Very high23 Ų2348 Ų4814%0.13924%0.241CC..Hα-helixtrans-66.3-40.4178.4174.10000111.6L120 V132 K133 Y134 H138 K139 L142 Y167 K171L120-V136 HydrophobicContact CD1-CG2 3.81Å; L120-V136 HydrophobicContact CD2-CG2 4.16Å; V132-V136 VanDerWaalsContact O-CG2 3.3Å; V132-V136 WeakPolarHBondContact O-CG2 3.21Å; V132-V136 PolarHBondContact O-N 3.19Å; V132-V136 VanDerWaalsContact O-N 3.08Å; K133-V136 PolarHBondContact O-N 3.01Å; Y134-V136 PolarHBondContact O-N 3.48Å; V136-H138 PolarHBondContact O-N 3.45Å; V136-K139 PolarHBondContact O-N 2.85Å; V136-K139 VanDerWaalsContact O-N 3.09Å; V136-L142 HydrophobicContact CG1-CD2 4.26Å; V136-L142 HydrophobicContact CG2-CD2 3.58Å; V136-Y167 HydrophobicContact CB-CE1 4Å; V136-Y167 HydrophobicContact CG1-CE1 4.23Å; V136-Y167 HydrophobicContact CG2-CE1 4.02Å; V136-K171 HydrophobicContact CG1-CB 4.39Å; V136-K171 HydrophobicContact CG1-CD 4.36Å; V136-K171 HydrophobicContact CG1-CG 4.1Å
137E98.3Very high98.3Very high124 Ų12452.9 Ų52.958%0.57926%0.255SS*.Hα-helixtrans-61.3-29.1173.2-71.6166.2-177.900112K133 Y134 K139K133-E137 WeakPolarHBondContact O-CG 3.25Å; K133-E137 PolarHBondContact O-N 3.4Å; Y134-E137 PolarHBondContact O-N 3Å; E137-K139 VanDerWaalsContact C-N 3.3Å; E137-K139 PolarHBondContact O-N 2.89Å
138H98.3Very high98.2Very high70 Ų7056.4 Ų56.432%0.32426%0.264SS..THydrogen-bonded Turntrans-93.128.1175.2-67.671.5000113.3L103 Y134 L135 V136 A140L103-H138 HydrophobicContact CD1-CB 4.02Å; Y134-H138 AromaticContact CD1-CE1 3.85Å; Y134-H138 AromaticContact CD1-ND1 3.64Å; Y134-H138 AromaticContact CD2-CE1 3.92Å; Y134-H138 AromaticContact CE1-CE1 3.34Å; Y134-H138 WeakPolarHBondContact CE1-CE1 3.32Å; Y134-H138 AromaticContact CE1-ND1 3.52Å; Y134-H138 AromaticContact CE1-NE2 3.76Å; Y134-H138 AromaticContact CE2-CE1 3.43Å; Y134-H138 VanDerWaalsContact CE2-CE1 3.43Å; Y134-H138 WeakPolarHBondContact CE2-CE1 3.47Å; Y134-H138 AromaticContact CG-ND1 3.98Å; Y134-H138 AromaticContact CZ-CE1 3.1Å; Y134-H138 AromaticContact CZ-ND1 3.77Å; Y134-H138 AromaticContact CZ-NE2 3.54Å; Y134-H138 PolarHBondContact O-N 2.9Å; Y134-H138 PolarHBondContact O-ND1 2.89Å; Y134-H138 PolarHBondContact OH-CE1 3.24Å; Y134-H138 PolarHBondContact OH-NE2 2.99Å; L135-H138 CarbonylContact O-C 3.56Å; L135-H138 VanDerWaalsContact O-C 3.31Å; L135-H138 WeakPolarHBondContact O-CA 3.29Å; L135-H138 PolarHBondContact O-N 3.18Å; L135-H138 VanDerWaalsContact O-N 3.14Å; V136-H138 PolarHBondContact O-N 3.45Å; H138-A140 PolarHBondContact O-N 3.18Å
139K98.3Very high98.2Very high180 Ų18054.3 Ų54.378%0.78326%0.257SS*.THydrogen-bonded Turntrans67.230.1172.5-48.9175.5-178.9174.80114.7L135 V136 E137 D141L135-K139 PolarHBondContact O-N 2.76Å; V136-K139 PolarHBondContact O-N 2.85Å; V136-K139 VanDerWaalsContact O-N 3.09Å; E137-K139 VanDerWaalsContact C-N 3.3Å; E137-K139 PolarHBondContact O-N 2.89Å; K139-D141 PolarHBondContact O-N 2.97Å
140A98.6Very high98.2Very high9 Ų954.3 Ų54.37%0.07426%0.256CS..  trans-59.913416500000110.4V109 N110 L120 L135 H138V109-A140 HydrophobicContact CG2-CB 3.75Å; N110-A140 WeakPolarHBondContact OD1-CA 3.11Å; L120-A140 HydrophobicContact CB-CB 4.14Å; L120-A140 HydrophobicContact CD2-CB 4.01Å; L135-A140 HydrophobicContact CB-CB 4.03Å; L135-A140 WeakPolarHBondContact O-CB 3.31Å; L135-A140 PolarHBondContact O-N 3.47Å; H138-A140 PolarHBondContact O-N 3.18Å
141D98.5Very high98.1Very high74 Ų7449.6 Ų49.640%0.39623%0.234SC..  trans-83.1120.4177.7-173-17.8000109.9N110 K139 E143 V144N110-D141 PolarHBondContact OD1-N 2.74Å; K139-D141 PolarHBondContact O-N 2.97Å; D141-E143 PolarHBondContact O-N 3.46Å; D141-E143 WeakPolarHBondContact OD1-CB 3.25Å; D141-E143 PolarHBondContact OD1-N 2.76Å; D141-V144 HydrophobicContact CB-CG2 3.72Å
142L98.2Very high98.1Very high21 Ų2149.5 Ų49.511%0.1123%0.234CC..THydrogen-bonded Turntrans-67.4-26.2-179.3-53.5-175.8000112.3L120 V136 L168 K171 A173L120-L142 HydrophobicContact CD2-CD2 3.69Å; V136-L142 HydrophobicContact CG1-CD2 4.26Å; V136-L142 HydrophobicContact CG2-CD2 3.58Å; L142-L168 HydrophobicContact CD2-CD2 3.79Å; L142-K171 HydrophobicContact CD1-CB 3.87Å; L142-K171 WeakPolarHBondContact CD1-O 3.38Å; L142-A173 HydrophobicContact CD1-CB 4.2Å
143E98.1Very high98.1Very high53 Ų5349.7 Ų49.725%0.24824%0.235CC..THydrogen-bonded Turntrans-97.1-9.1-167-62-53.6134.100113.2D141 S145 A173 D174 R177D141-E143 PolarHBondContact O-N 3.46Å; D141-E143 WeakPolarHBondContact OD1-CB 3.25Å; D141-E143 PolarHBondContact OD1-N 2.76Å; E143-S145 PolarHBondContact O-N 3.5Å; E143-S145 VanDerWaalsContact O-N 3.11Å; E143-A173 WeakPolarHBondContact OE1-CA 3.19Å; E143-D174 PolarHBondContact OE1-N 2.88Å; E143-R177 PolarHBondContact O-NH1 3.12Å; E143-R177 PolarHBondContact O-NH2 3.18Å; E143-R177 WeakPolarHBondContact OE2-CG 3.44Å; E143-R177 IonicContact OE2-CZ 2.66Å; E143-R177 IonicContact OE2-NH1 2.84Å; E143-R177 PolarHBondContact OE2-NH1 2.91Å
144V98.1Very high98.1Very high37 Ų3747 Ų4722%0.22422%0.223CC..  trans-67.5110.1171.9179.10000109.4T118 D141T118-V144 HydrophobicContact CG2-CB 3.78Å; T118-V144 HydrophobicContact CG2-CG1 3.41Å; T118-V144 VanDerWaalsContact CG2-CG1 3.41Å; D141-V144 HydrophobicContact CB-CG2 3.72Å
145S97.6Very high98.1Very high22 Ų2245.5 Ų45.515%0.15422%0.217CC..  trans-97.7160.7178.658.30000112.1N116 E143 G149 H150N116-S145 PolarHBondContact ND2-O 3.04Å; E143-S145 PolarHBondContact O-N 3.5Å; E143-S145 VanDerWaalsContact O-N 3.11Å; S145-G149 VanDerWaalsContact CB-C 3.48Å; S145-H150 WeakPolarHBondContact CA-O 3.23Å; S145-H150 WeakPolarHBondContact CB-O 3.43Å
146N97.9Very high98.1Very high23 Ų2345.5 Ų45.512%0.12322%0.217CC..  trans-64.9175.9169.576.75.1000111.9T115 N116 H148 G149 H150T115-N146 CarbonylContact O-C 3.57Å; T115-N146 WeakPolarHBondContact O-CA 3.41Å; T115-N146 WeakPolarHBondContact O-CB 3.19Å; N116-N146 WeakPolarHBondContact O-CA 3.36Å; N146-H148 PolarHBondContact O-N 3.08Å; N146-H148 WeakPolarHBondContact OD1-CA 3.41Å; N146-H148 WeakPolarHBondContact OD1-CB 3.17Å; N146-H148 PolarHBondContact OD1-N 3.27Å; N146-G149 PolarHBondContact O-N 2.9Å; N146-G149 PolarHBondContact OD1-N 2.85Å; N146-H150 PolarHBondContact N-O 3.09Å; N146-H150 VanDerWaalsContact N-O 3.14Å; N146-H150 VanDerWaalsContact OD1-CB 3.28Å; N146-H150 WeakPolarHBondContact OD1-CB 3.35Å; N146-H150 PolarHBondContact OD1-N 3.38Å
147R96.2Very high98.1Very high161 Ų16144.4 Ų44.461%0.60821%0.211SC*.THydrogen-bonded Turntrans-57.4-15.2179.370.5176.4-175-173.90.4115.2T115T115-R147 PolarHBondContact O-N 3.15Å
148H95.8Very high98.2Very high101 Ų10143.8 Ų43.847%0.46820%0.204SC..THydrogen-bonded Turntrans-98.75.1177.3-58.1-62.6000112.4N146 H150 S179 V180N146-H148 PolarHBondContact O-N 3.08Å; N146-H148 WeakPolarHBondContact OD1-CA 3.41Å; N146-H148 WeakPolarHBondContact OD1-CB 3.17Å; N146-H148 PolarHBondContact OD1-N 3.27Å; H148-H150 VanDerWaalsContact C-N 3.29Å; H148-S179 WeakPolarHBondContact O-CB 3.21Å; H148-V180 WeakPolarHBondContact O-CG2 3.44Å; H148-V180 PolarHBondContact O-N 3.1Å
149G97.5Very high98.2Very high10 Ų1044.4 Ų44.410%0.10321%0.206CC..  trans76.514.1-176.700000113.8S145 N146 S179S145-G149 VanDerWaalsContact CB-C 3.48Å; N146-G149 PolarHBondContact O-N 2.9Å; N146-G149 PolarHBondContact OD1-N 2.85Å; G149-S179 WeakPolarHBondContact O-CA 3.34Å
150H98.4Very high98.1Very high30 Ų3037.4 Ų37.414%0.13919%0.185CC..  trans-84.7118-178.9-159.9-78.7000111.3R121 S145 N146 H148 M154 I155 D188R121-H150 PolarHBondContact NH2-ND1 2.69Å; S145-H150 WeakPolarHBondContact CA-O 3.23Å; S145-H150 WeakPolarHBondContact CB-O 3.43Å; N146-H150 PolarHBondContact N-O 3.09Å; N146-H150 VanDerWaalsContact N-O 3.14Å; N146-H150 VanDerWaalsContact OD1-CB 3.28Å; N146-H150 WeakPolarHBondContact OD1-CB 3.35Å; N146-H150 PolarHBondContact OD1-N 3.38Å; H148-H150 VanDerWaalsContact C-N 3.29Å; H150-M154 HydrophobicContact CB-SD 4.5Å; H150-M154 VanDerWaalsContact CE1-C 3.49Å; H150-M154 WeakPolarHBondContact CE1-CB 3.33Å; H150-I155 PolarHBondContact CE1-N 2.79Å; H150-I155 VanDerWaalsContact CE1-N 3.28Å; H150-D188 IonicContact NE2-OD1 2.84Å; H150-D188 IonicContact NE2-OD2 2.54Å
151T98.6Very high98.2Very high4 Ų439.5 Ų39.53%0.02519%0.193CC..  trans-83.5173.4-173.869.60000112.8M154 I155 R177T151-M154 HydrophobicContact CG2-CE 4.12Å; T151-M154 HydrophobicContact CG2-SD 4.2Å; T151-M154 PolarHBondContact N-SD 2.92Å; T151-M154 VanDerWaalsContact N-SD 3.41Å; T151-M154 VanDerWaalsContact OG1-CG 3.29Å; T151-M154 WeakPolarHBondContact OG1-CG 3.17Å; T151-M154 PolarHBondContact OG1-N 3.06Å; T151-M154 VanDerWaalsContact OG1-N 3.16Å; T151-I155 PolarHBondContact O-N 3.38Å; T151-R177 HydrophobicContact CG2-CB 3.9Å; T151-R177 HydrophobicContact CG2-CG 4.15Å
152C98.7Very high98.2Very high1 Ų140.7 Ų40.71%0.00720%0.195CC..Hα-helixtrans-63-45.3171.3-62.40000111.4L120 M154 I155 S156 L168L120-C152 HydrophobicContact CD2-CB 4.46Å; L120-C152 HydrophobicContact CG-CB 4.44Å; C152-M154 PolarHBondContact O-N 3.34Å; C152-I155 WeakPolarHBondContact O-CG2 3.43Å; C152-I155 PolarHBondContact O-N 2.93Å; C152-S156 PolarHBondContact O-N 3.36Å; C152-S156 PolarHBondContact O-OG 2.8Å; C152-S156 VanDerWaalsContact O-OG 3.05Å; C152-L168 HydrophobicContact CB-CD1 4.18Å
153L98.9Very high98.2Very high4 Ų446 Ų462%0.02122%0.219CC..Hα-helixtrans-60.4-45.5177.3179.361.9000111.9I155 S156 C157 A165 L168 L169 A173 V175 A185 L201L153-I155 VanDerWaalsContact C-N 3.33Å; L153-I155 PolarHBondContact O-N 3.44Å; L153-S156 PolarHBondContact O-N 3.37Å; L153-C157 PolarHBondContact O-N 3.48Å; L153-C157 PolarHBondContact O-SG 3.12Å; L153-A165 HydrophobicContact CD1-CB 4.14Å; L153-L168 HydrophobicContact CB-CD1 4.48Å; L153-L168 HydrophobicContact CD1-CB 4.41Å; L153-L169 HydrophobicContact CD1-CD2 4.3Å; L153-L169 HydrophobicContact CD1-CG 4.06Å; L153-L169 HydrophobicContact CD2-CD2 3.81Å; L153-L169 HydrophobicContact CD2-CG 4.46Å; L153-A173 HydrophobicContact CB-CB 4.42Å; L153-A173 HydrophobicContact CD2-CB 4.3Å; L153-V175 HydrophobicContact CD2-CG2 4.46Å; L153-A185 HydrophobicContact CD2-CB 4.32Å; L153-A185 HydrophobicContact CG-CB 4.19Å; L153-L201 HydrophobicContact CD1-CD2 4.32Å; L153-L201 HydrophobicContact CD2-CD2 4.26Å
154M98.8Very high98.2Very high1 Ų143.7 Ų43.71%0.00521%0.208CC..Hα-helixtrans-54.4-47.6176.2-77.3173.9-169.200111.8H150 T151 C152 C157 Y158 R177 N183 A185 D188H150-M154 HydrophobicContact CB-SD 4.5Å; H150-M154 VanDerWaalsContact CE1-C 3.49Å; H150-M154 WeakPolarHBondContact CE1-CB 3.33Å; T151-M154 HydrophobicContact CG2-CE 4.12Å; T151-M154 HydrophobicContact CG2-SD 4.2Å; T151-M154 PolarHBondContact N-SD 2.92Å; T151-M154 VanDerWaalsContact N-SD 3.41Å; T151-M154 VanDerWaalsContact OG1-CG 3.29Å; T151-M154 WeakPolarHBondContact OG1-CG 3.17Å; T151-M154 PolarHBondContact OG1-N 3.06Å; T151-M154 VanDerWaalsContact OG1-N 3.16Å; C152-M154 PolarHBondContact O-N 3.34Å; M154-C157 WeakPolarHBondContact O-CB 3.34Å; M154-C157 PolarHBondContact O-N 2.77Å; M154-Y158 PolarHBondContact O-N 3.31Å; M154-R177 VanDerWaalsContact CE-C 3.47Å; M154-R177 HydrophobicContact CE-CB 3.9Å; M154-R177 WeakPolarHBondContact CE-O 3.48Å; M154-N183 WeakPolarHBondContact CE-O 3.46Å; M154-A185 HydrophobicContact CG-CB 4.36Å; M154-D188 WeakPolarHBondContact CA-OD2 3.49Å; M154-D188 WeakPolarHBondContact CB-OD2 3.35Å; M154-D188 VanDerWaalsContact CG-OD2 3.26Å; M154-D188 WeakPolarHBondContact CG-OD2 3.38Å; M154-D188 WeakPolarHBondContact O-CB 3.3Å
155I98.7Very high98.3Very high7 Ų742 Ų424%0.03620%0.198CC..Hα-helixtrans-71.5-34.6-177.9-16865.9000112.8R121 C124 F125 H150 T151 C152 L153 C157 Y158 K159R121-I155 HydrophobicContact CG-CG2 4.26Å; C124-I155 HydrophobicContact CB-CG2 3.87Å; F125-I155 HydrophobicContact CB-CG1 4.15Å; F125-I155 HydrophobicContact CD2-CD1 3.65Å; F125-I155 HydrophobicContact CD2-CG1 3.68Å; F125-I155 HydrophobicContact CE2-CD1 4.15Å; F125-I155 HydrophobicContact CG-CG1 4.35Å; H150-I155 PolarHBondContact CE1-N 2.79Å; H150-I155 VanDerWaalsContact CE1-N 3.28Å; T151-I155 PolarHBondContact O-N 3.38Å; C152-I155 WeakPolarHBondContact O-CG2 3.43Å; C152-I155 PolarHBondContact O-N 2.93Å; L153-I155 VanDerWaalsContact C-N 3.33Å; L153-I155 PolarHBondContact O-N 3.44Å; I155-C157 VanDerWaalsContact C-N 3.29Å; I155-C157 PolarHBondContact O-N 3.02Å; I155-Y158 HydrophobicContact CD1-CD1 4.29Å; I155-Y158 PolarHBondContact O-N 3.11Å; I155-K159 HydrophobicContact CD1-CG 4.17Å; I155-K159 HydrophobicContact CG1-CG 4.21Å; I155-K159 WeakPolarHBondContact O-CB 3.14Å; I155-K159 WeakPolarHBondContact O-CG 3.48Å; I155-K159 PolarHBondContact O-N 3.16Å
156S98.8Very high98.3Very high0 Ų044.6 Ų44.60%021%0.208CC..Hα-helixtrans-61.5-40172.6-580000111.6C152 L153 G160 H161 I164C152-S156 PolarHBondContact O-N 3.36Å; C152-S156 PolarHBondContact O-OG 2.8Å; C152-S156 VanDerWaalsContact O-OG 3.05Å; L153-S156 PolarHBondContact O-N 3.37Å; S156-G160 PolarHBondContact O-N 2.98Å; S156-G160 VanDerWaalsContact O-N 3.13Å; S156-H161 PolarHBondContact O-N 2.91Å; S156-I164 WeakPolarHBondContact OG-CG2 3.22Å
157C98.8Very high98.4Very high0 Ų044.5 Ų44.50%021%0.206CC..Hα-helixtrans-64.8-47.1174.3-68.20000112.3L153 M154 I155 K159 G160 D188 S192 S194 I197L153-C157 PolarHBondContact O-N 3.48Å; L153-C157 PolarHBondContact O-SG 3.12Å; M154-C157 WeakPolarHBondContact O-CB 3.34Å; M154-C157 PolarHBondContact O-N 2.77Å; I155-C157 VanDerWaalsContact C-N 3.29Å; I155-C157 PolarHBondContact O-N 3.02Å; C157-K159 VanDerWaalsContact C-N 3.32Å; C157-K159 PolarHBondContact O-N 3.49Å; C157-G160 PolarHBondContact O-N 2.7Å; C157-G160 VanDerWaalsContact O-N 3.17Å; C157-D188 HydrophobicContact CB-CB 3.8Å; C157-S192 PolarHBondContact O-OG 3.42Å; C157-S194 PolarHBondContact O-OG 3.31Å; C157-I197 HydrophobicContact CB-CG2 4.38Å; C157-I197 VanDerWaalsContact SG-CG2 3.55Å
158Y98.6Very high98.5Very high111 Ų11136.9 Ų36.944%0.43518%0.177SC..Hα-helixtrans-64.1-37.5-179.1-175.6-99.6000112.3M154 I155 G160 E191 S192M154-Y158 PolarHBondContact O-N 3.31Å; I155-Y158 HydrophobicContact CD1-CD1 4.29Å; I155-Y158 PolarHBondContact O-N 3.11Å; Y158-G160 VanDerWaalsContact C-N 3.31Å; Y158-E191 HydrophobicContact CD2-CB 4.48Å; Y158-E191 HydrophobicContact CE2-CB 4.24Å; Y158-S192 WeakPolarHBondContact O-CB 3.48Å
159K98.3Very high98.6Very high83 Ų8332.4 Ų32.436%0.36116%0.157SC..Hα-helixtrans-81.6-8.8177.8-70.5-73-154.4163.70113.7F125 I155 C157 H161F125-K159 VanDerWaalsContact CD2-CE 3.47Å; F125-K159 VanDerWaalsContact CE1-NZ 3.31Å; F125-K159 VanDerWaalsContact O-CE 3.3Å; F125-K159 WeakPolarHBondContact O-CE 3.49Å; F125-K159 WeakPolarHBondContact O-CG 3.42Å; I155-K159 HydrophobicContact CD1-CG 4.17Å; I155-K159 HydrophobicContact CG1-CG 4.21Å; I155-K159 WeakPolarHBondContact O-CB 3.14Å; I155-K159 WeakPolarHBondContact O-CG 3.48Å; I155-K159 PolarHBondContact O-N 3.16Å; C157-K159 VanDerWaalsContact C-N 3.32Å; C157-K159 PolarHBondContact O-N 3.49Å; K159-H161 VanDerWaalsContact CB-CD2 3.44Å; K159-H161 WeakPolarHBondContact CB-CD2 3.45Å; K159-H161 WeakPolarHBondContact CB-NE2 3.31Å
160G98.1Very high98.7Very high34 Ų3437.3 Ų37.335%0.35118%0.177SC..THydrogen-bonded Turntrans77.218.6-179.800000114.7S156 C157 Y158 K162 S194S156-G160 PolarHBondContact O-N 2.98Å; S156-G160 VanDerWaalsContact O-N 3.13Å; C157-G160 PolarHBondContact O-N 2.7Å; C157-G160 VanDerWaalsContact O-N 3.17Å; Y158-G160 VanDerWaalsContact C-N 3.31Å; G160-K162 VanDerWaalsContact C-N 3.34Å; G160-K162 PolarHBondContact O-N 3.46Å; G160-S194 WeakPolarHBondContact CA-OG 3.36Å
161H98.7Very high98.7Very high53 Ų5341.1 Ų41.125%0.24519%0.193CC..  trans-80.478.3-178-63.3-40.3000111.4C124 F125 G127 S156 K159 E163 I164 A165C124-H161 PolarHBondContact O-CD2 3.43Å; C124-H161 VanDerWaalsContact O-CD2 3.23Å; F125-H161 PolarHBondContact O-NE2 3.43Å; G127-H161 WeakPolarHBondContact CA-NE2 3.04Å; G127-H161 PolarHBondContact N-NE2 3.34Å; S156-H161 PolarHBondContact O-N 2.91Å; K159-H161 VanDerWaalsContact CB-CD2 3.44Å; K159-H161 WeakPolarHBondContact CB-CD2 3.45Å; K159-H161 WeakPolarHBondContact CB-NE2 3.31Å; H161-E163 PolarHBondContact O-N 3.01Å; H161-I164 HydrophobicContact CB-CB 4.06Å; H161-I164 HydrophobicContact CB-CD1 4.02Å; H161-I164 HydrophobicContact CB-CG1 4.27Å; H161-I164 PolarHBondContact O-N 3.29Å; H161-A165 PolarHBondContact O-N 3.31Å
162K98.6Very high98.6Very high98 Ų9843.7 Ų43.743%0.42622%0.221SC..Hα-helixtrans-54.6-46.8-173.9-178.9-175.7172.7-175.90113.7G160 I164 A165 Q166 E196 I197 M200G160-K162 VanDerWaalsContact C-N 3.34Å; G160-K162 PolarHBondContact O-N 3.46Å; K162-I164 VanDerWaalsContact C-N 3.34Å; K162-I164 PolarHBondContact O-N 3.14Å; K162-A165 PolarHBondContact O-N 2.78Å; K162-Q166 WeakPolarHBondContact O-CB 3.46Å; K162-Q166 PolarHBondContact O-N 3.44Å; K162-E196 HydrophobicContact CD-CB 4.44Å; K162-I197 HydrophobicContact CB-CD1 4.22Å; K162-I197 HydrophobicContact CB-CG1 4.02Å; K162-I197 HydrophobicContact CG-CG1 4.28Å; K162-M200 HydrophobicContact CD-CE 4.46Å; K162-M200 HydrophobicContact CG-CE 3.72Å
163E98.8Very high98.6Very high134 Ų13444.2 Ų44.263%0.62623%0.225SC*.Hα-helixtrans-66.6-37.5-176.5-65.9171.2178.900111.7L129 H161 Y167L129-E163 HydrophobicContact CD1-CB 4.48Å; L129-E163 HydrophobicContact CD2-CB 4.04Å; H161-E163 PolarHBondContact O-N 3.01Å; E163-Y167 WeakPolarHBondContact O-CB 2.89Å; E163-Y167 PolarHBondContact O-N 3.41Å
164I98.9Very high98.6Very high4 Ų447.6 Ų47.62%0.02124%0.243CC..Hα-helixtrans-68.3-49175.1-64.5178.4000110.2C124 L129 V132 S156 H161 K162 Q166 Y167 L168C124-I164 HydrophobicContact CB-CG2 4.4Å; L129-I164 HydrophobicContact CB-CG1 4.16Å; L129-I164 HydrophobicContact CD1-CG1 3.77Å; V132-I164 HydrophobicContact CG1-CG2 4.2Å; V132-I164 HydrophobicContact CG2-CD1 4.15Å; V132-I164 HydrophobicContact CG2-CG1 4.49Å; V132-I164 HydrophobicContact CG2-CG2 4.17Å; S156-I164 WeakPolarHBondContact OG-CG2 3.22Å; H161-I164 HydrophobicContact CB-CB 4.06Å; H161-I164 HydrophobicContact CB-CD1 4.02Å; H161-I164 HydrophobicContact CB-CG1 4.27Å; H161-I164 PolarHBondContact O-N 3.29Å; K162-I164 VanDerWaalsContact C-N 3.34Å; K162-I164 PolarHBondContact O-N 3.14Å; I164-Q166 VanDerWaalsContact C-N 3.26Å; I164-Q166 PolarHBondContact O-N 3.09Å; I164-Y167 PolarHBondContact O-N 3.49Å; I164-L168 HydrophobicContact CG2-CD1 3.89Å; I164-L168 HydrophobicContact CG2-CG 4.23Å; I164-L168 VanDerWaalsContact O-CG 3.28Å; I164-L168 WeakPolarHBondContact O-CG 3.42Å; I164-L168 PolarHBondContact O-N 3.48Å
165A98.8Very high98.6Very high0 Ų048.2 Ų48.20%025%0.246CC..Hα-helixtrans-57.7-42.517800000111.4L153 H161 K162 L168 L169 I197L153-A165 HydrophobicContact CD1-CB 4.14Å; H161-A165 PolarHBondContact O-N 3.31Å; K162-A165 PolarHBondContact O-N 2.78Å; A165-L168 PolarHBondContact O-N 2.91Å; A165-L169 WeakPolarHBondContact O-CD1 3.3Å; A165-L169 VanDerWaalsContact O-CG 3.27Å; A165-L169 WeakPolarHBondContact O-CG 3.38Å; A165-L169 PolarHBondContact O-N 2.87Å; A165-L169 VanDerWaalsContact O-N 3.07Å; A165-I197 HydrophobicContact CB-CG2 3.95Å
166Q98.8Very high98.6Very high77 Ų7750.5 Ų50.536%0.3626%0.259SS..Hα-helixtrans-59.9-50.7174.6-176.1175.2-18.100111.9K162 I164 L168 L169 E170 M200K162-Q166 WeakPolarHBondContact O-CB 3.46Å; K162-Q166 PolarHBondContact O-N 3.44Å; I164-Q166 VanDerWaalsContact C-N 3.26Å; I164-Q166 PolarHBondContact O-N 3.09Å; Q166-L168 VanDerWaalsContact C-N 3.33Å; Q166-L168 PolarHBondContact O-N 3.08Å; Q166-L169 PolarHBondContact O-N 2.96Å; Q166-E170 HydrophobicContact CG-CG 4.49Å; Q166-E170 VanDerWaalsContact CG-OE1 3.3Å; Q166-E170 WeakPolarHBondContact CG-OE1 3.29Å; Q166-E170 PolarHBondContact NE2-OE1 3.3Å; Q166-E170 WeakPolarHBondContact O-CG 3.16Å; Q166-E170 PolarHBondContact O-N 3.49Å; Q166-M200 VanDerWaalsContact CA-SD 3.56Å; Q166-M200 HydrophobicContact CB-CE 3.91Å; Q166-M200 HydrophobicContact CB-SD 3.59Å; Q166-M200 VanDerWaalsContact CB-SD 3.59Å; Q166-M200 HydrophobicContact CG-CE 4.41Å; Q166-M200 HydrophobicContact CG-SD 3.97Å
167Y98.8Very high98.5Very high22 Ų2253.2 Ų53.29%0.08627%0.269CS..Hα-helixtrans-59.5-43.2179.4177.6-103.4000112.1V132 K133 V136 E163 I164 L169 E170 K171V132-Y167 HydrophobicContact CG1-CD1 3.87Å; V132-Y167 HydrophobicContact CG1-CE1 4.11Å; K133-Y167 HydrophobicContact CB-CE1 4.38Å; K133-Y167 HydrophobicContact CG-CD1 4.32Å; K133-Y167 HydrophobicContact CG-CD2 4.19Å; K133-Y167 HydrophobicContact CG-CE1 4Å; K133-Y167 HydrophobicContact CG-CE2 3.86Å; K133-Y167 HydrophobicContact CG-CG 4.4Å; V136-Y167 HydrophobicContact CB-CE1 4Å; V136-Y167 HydrophobicContact CG1-CE1 4.23Å; V136-Y167 HydrophobicContact CG2-CE1 4.02Å; E163-Y167 WeakPolarHBondContact O-CB 2.89Å; E163-Y167 PolarHBondContact O-N 3.41Å; I164-Y167 PolarHBondContact O-N 3.49Å; Y167-L169 PolarHBondContact O-N 2.92Å; Y167-E170 PolarHBondContact O-N 3.18Å; Y167-K171 HydrophobicContact CD1-CG 4.39Å; Y167-K171 HydrophobicContact CD2-CG 4.38Å; Y167-K171 HydrophobicContact CE1-CG 4.01Å; Y167-K171 HydrophobicContact CE2-CD 4.33Å; Y167-K171 HydrophobicContact CE2-CG 3.98Å; Y167-K171 VanDerWaalsContact CZ-CE 3.47Å; Y167-K171 WeakPolarHBondContact O-CB 3.26Å; Y167-K171 VanDerWaalsContact O-CG 3.29Å; Y167-K171 WeakPolarHBondContact O-CG 3.01Å; Y167-K171 PolarHBondContact O-N 2.88Å; Y167-K171 VanDerWaalsContact OH-CE 3.28Å; Y167-K171 WeakPolarHBondContact OH-CE 3.4Å
168L98.8Very high98.5Very high0 Ų057.7 Ų57.70%029%0.289CS..Hα-helixtrans-62.5-41.3177.8-66.6172.7000111.9V132 L142 C152 L153 I164 A165 Q166 K171 G172 A173V132-L168 HydrophobicContact CG1-CD2 4.29Å; L142-L168 HydrophobicContact CD2-CD2 3.79Å; C152-L168 HydrophobicContact CB-CD1 4.18Å; L153-L168 HydrophobicContact CB-CD1 4.48Å; L153-L168 HydrophobicContact CD1-CB 4.41Å; I164-L168 HydrophobicContact CG2-CD1 3.89Å; I164-L168 HydrophobicContact CG2-CG 4.23Å; I164-L168 VanDerWaalsContact O-CG 3.28Å; I164-L168 WeakPolarHBondContact O-CG 3.42Å; I164-L168 PolarHBondContact O-N 3.48Å; A165-L168 PolarHBondContact O-N 2.91Å; Q166-L168 VanDerWaalsContact C-N 3.33Å; Q166-L168 PolarHBondContact O-N 3.08Å; L168-K171 CarbonylContact O-C 3.58Å; L168-K171 PolarHBondContact O-N 2.58Å; L168-G172 PolarHBondContact O-N 3.01Å; L168-A173 HydrophobicContact CB-CB 4.11Å; L168-A173 VanDerWaalsContact O-CB 3.22Å; L168-A173 WeakPolarHBondContact O-CB 3.46Å; L168-A173 PolarHBondContact O-N 3.45Å
169L98.6Very high98.5Very high8 Ų853.2 Ų53.24%0.04227%0.274CS..Hα-helixtrans-64.6-43.4175.6-70.6165.2000111.9L153 A165 Q166 Y167 K171 G172 V175 M200 L201 Y204L153-L169 HydrophobicContact CD1-CD2 4.3Å; L153-L169 HydrophobicContact CD1-CG 4.06Å; L153-L169 HydrophobicContact CD2-CD2 3.81Å; L153-L169 HydrophobicContact CD2-CG 4.46Å; A165-L169 WeakPolarHBondContact O-CD1 3.3Å; A165-L169 VanDerWaalsContact O-CG 3.27Å; A165-L169 WeakPolarHBondContact O-CG 3.38Å; A165-L169 PolarHBondContact O-N 2.87Å; A165-L169 VanDerWaalsContact O-N 3.07Å; Q166-L169 PolarHBondContact O-N 2.96Å; Y167-L169 PolarHBondContact O-N 2.92Å; L169-K171 PolarHBondContact O-N 3.31Å; L169-G172 PolarHBondContact O-N 3.24Å; L169-V175 HydrophobicContact CD2-CB 4.17Å; L169-V175 HydrophobicContact CD2-CG2 4.04Å; L169-M200 HydrophobicContact CD1-CG 4.01Å; L169-M200 HydrophobicContact CD1-SD 3.81Å; L169-L201 HydrophobicContact CD1-CD2 3.94Å; L169-L201 HydrophobicContact CD2-CD2 4.17Å; L169-Y204 HydrophobicContact CB-CD1 4.34Å; L169-Y204 HydrophobicContact CB-CD2 4.34Å; L169-Y204 HydrophobicContact CB-CE1 4.02Å; L169-Y204 HydrophobicContact CB-CE2 4.02Å; L169-Y204 HydrophobicContact CB-CG 4.5Å; L169-Y204 HydrophobicContact CD1-CD2 3.91Å; L169-Y204 HydrophobicContact CD1-CE2 4.06Å; L169-Y204 HydrophobicContact CD1-CG 4.44Å; L169-Y204 HydrophobicContact CD2-CD1 4.41Å; L169-Y204 HydrophobicContact CD2-CD2 4.47Å; L169-Y204 HydrophobicContact CD2-CG 4.19Å; L169-Y204 HydrophobicContact CG-CD2 4.49Å
170E98.5Very high98.4Very high112 Ų11255 Ų5552%0.52329%0.291SS..Hα-helixtrans-62.8-28.9175.7-72.2171.5-173.600112.2Q166 Y167 G172Q166-E170 HydrophobicContact CG-CG 4.49Å; Q166-E170 VanDerWaalsContact CG-OE1 3.3Å; Q166-E170 WeakPolarHBondContact CG-OE1 3.29Å; Q166-E170 PolarHBondContact NE2-OE1 3.3Å; Q166-E170 WeakPolarHBondContact O-CG 3.16Å; Q166-E170 PolarHBondContact O-N 3.49Å; Y167-E170 PolarHBondContact O-N 3.18Å; E170-G172 VanDerWaalsContact C-N 3.3Å
171K98.5Very high98.3Very high110 Ų11059.4 Ų59.448%0.47830%0.301SS..THydrogen-bonded Turntrans-86.65.1174.1-64.1-64.6-179179.30114.1V136 L142 Y167 L168 L169V136-K171 HydrophobicContact CG1-CB 4.39Å; V136-K171 HydrophobicContact CG1-CD 4.36Å; V136-K171 HydrophobicContact CG1-CG 4.1Å; L142-K171 HydrophobicContact CD1-CB 3.87Å; L142-K171 WeakPolarHBondContact CD1-O 3.38Å; Y167-K171 HydrophobicContact CD1-CG 4.39Å; Y167-K171 HydrophobicContact CD2-CG 4.38Å; Y167-K171 HydrophobicContact CE1-CG 4.01Å; Y167-K171 HydrophobicContact CE2-CD 4.33Å; Y167-K171 HydrophobicContact CE2-CG 3.98Å; Y167-K171 VanDerWaalsContact CZ-CE 3.47Å; Y167-K171 WeakPolarHBondContact O-CB 3.26Å; Y167-K171 VanDerWaalsContact O-CG 3.29Å; Y167-K171 WeakPolarHBondContact O-CG 3.01Å; Y167-K171 PolarHBondContact O-N 2.88Å; Y167-K171 VanDerWaalsContact OH-CE 3.28Å; Y167-K171 WeakPolarHBondContact OH-CE 3.4Å; L168-K171 CarbonylContact O-C 3.58Å; L168-K171 PolarHBondContact O-N 2.58Å; L169-K171 PolarHBondContact O-N 3.31Å
172G97.8Very high98.2Very high59 Ų5957.5 Ų57.561%0.60830%0.295SS*.THydrogen-bonded Turntrans89.522.517100000115.3L168 L169 E170 D174L168-G172 PolarHBondContact O-N 3.01Å; L169-G172 PolarHBondContact O-N 3.24Å; E170-G172 VanDerWaalsContact C-N 3.3Å; G172-D174 PolarHBondContact O-N 3.12Å
173A98.4Very high98.2Very high11 Ų1153.7 Ų53.79%0.09128%0.279CS..  trans-59.1135.2172.200000111.5L142 E143 L153 L168 V175L142-A173 HydrophobicContact CD1-CB 4.2Å; E143-A173 WeakPolarHBondContact OE1-CA 3.19Å; L153-A173 HydrophobicContact CB-CB 4.42Å; L153-A173 HydrophobicContact CD2-CB 4.3Å; L168-A173 HydrophobicContact CB-CB 4.11Å; L168-A173 VanDerWaalsContact O-CB 3.22Å; L168-A173 WeakPolarHBondContact O-CB 3.46Å; L168-A173 PolarHBondContact O-N 3.45Å; A173-V175 PolarHBondContact O-N 3.32Å
174D98.6Very high98.2Very high75 Ų7547.6 Ų47.640%0.40125%0.251SS..  trans-73.7110.8-180176.69.8000111.4E143 G172 N176 R177E143-D174 PolarHBondContact OE1-N 2.88Å; G172-D174 PolarHBondContact O-N 3.12Å; D174-N176 PolarHBondContact O-N 3.17Å; D174-N176 PolarHBondContact OD1-N 2.96Å; D174-R177 HydrophobicContact CB-CG 3.75Å; D174-R177 WeakPolarHBondContact O-CG 3.34Å; D174-R177 PolarHBondContact O-N 2.97Å
175V98.4Very high98.2Very high14 Ų1447.5 Ų47.59%0.08525%0.251CS..THydrogen-bonded Turntrans-67.1-21.5-177.8780000113.7L153 L169 A173 L201 A206L153-V175 HydrophobicContact CD2-CG2 4.46Å; L169-V175 HydrophobicContact CD2-CB 4.17Å; L169-V175 HydrophobicContact CD2-CG2 4.04Å; A173-V175 PolarHBondContact O-N 3.32Å; V175-L201 HydrophobicContact CG2-CB 4.06Å; V175-L201 HydrophobicContact CG2-CD2 3.57Å; V175-L201 HydrophobicContact CG2-CG 4.36Å; V175-A206 HydrophobicContact CG1-CB 4.2Å; V175-A206 HydrophobicContact CG2-CB 3.63Å
176N98.4Very high98.2Very high55 Ų5547.7 Ų47.729%0.29425%0.252SS..THydrogen-bonded Turntrans-104.19.2-174.1-68.1-58.2000113.4D174 K207D174-N176 PolarHBondContact O-N 3.17Å; D174-N176 PolarHBondContact OD1-N 2.96Å; N176-K207 PolarHBondContact OD1-N 2.89Å
177R98.4Very high98.2Very high58 Ų5844 Ų4422%0.21924%0.235CC..  trans-53.7142.5172.3-72.6-72.1-60.5-83.91.2110.9E143 T151 M154 D174E143-R177 PolarHBondContact O-NH1 3.12Å; E143-R177 PolarHBondContact O-NH2 3.18Å; E143-R177 WeakPolarHBondContact OE2-CG 3.44Å; E143-R177 IonicContact OE2-CZ 2.66Å; E143-R177 IonicContact OE2-NH1 2.84Å; E143-R177 PolarHBondContact OE2-NH1 2.91Å; T151-R177 HydrophobicContact CG2-CB 3.9Å; T151-R177 HydrophobicContact CG2-CG 4.15Å; M154-R177 VanDerWaalsContact CE-C 3.47Å; M154-R177 HydrophobicContact CE-CB 3.9Å; M154-R177 WeakPolarHBondContact CE-O 3.48Å; D174-R177 HydrophobicContact CB-CG 3.75Å; D174-R177 WeakPolarHBondContact O-CG 3.34Å; D174-R177 PolarHBondContact O-N 2.97Å
178K98.3Very high98.2Very high94 Ų9443.1 Ų43.141%0.40923%0.231SC..  trans-115.8137.3174-71.4-176.7177.5-169.80110.7N183 T184 E209K178-N183 CarbonylContact C-O 3.53Å; K178-N183 WeakPolarHBondContact CA-O 3.46Å; K178-T184 HydrophobicContact CG-CG2 3.85Å; K178-E209 WeakPolarHBondContact CE-OE2 3.41Å; K178-E209 IonicContact NZ-OE2 3.46Å; K178-E209 PolarHBondContact NZ-OE2 3.38Å
179S98.1Very high98.2Very high17 Ų1743.1 Ų43.112%0.11923%0.231CC..  trans-68.6173.5166.677.60000111.2H148 G149 K181 G182 N183H148-S179 WeakPolarHBondContact O-CB 3.21Å; G149-S179 WeakPolarHBondContact O-CA 3.34Å; S179-K181 PolarHBondContact O-N 3.4Å; S179-K181 PolarHBondContact OG-N 3.49Å; S179-G182 PolarHBondContact O-N 2.93Å; S179-G182 PolarHBondContact OG-N 3.34Å; S179-N183 PolarHBondContact N-O 3.38Å; S179-N183 WeakPolarHBondContact OG-CB 3.49Å; S179-N183 PolarHBondContact OG-N 3.29Å
180V96.8Very high98.2Very high119 Ų11942.7 Ų42.772%0.72123%0.229SC*.THydrogen-bonded Turntrans-57.5-31.9175.3173.80000111.8H148H148-V180 WeakPolarHBondContact O-CG2 3.44Å; H148-V180 PolarHBondContact O-N 3.1Å
181K94.7Very high98.2Very high128 Ų12840.4 Ų40.456%0.55722%0.219SC*.THydrogen-bonded Turntrans-93.614176.2-65.3-173.1175.5-171.90113.2S179 N183 G212 Y213S179-K181 PolarHBondContact O-N 3.4Å; S179-K181 PolarHBondContact OG-N 3.49Å; K181-N183 VanDerWaalsContact C-N 3.28Å; K181-N183 PolarHBondContact O-N 3.04Å; K181-G212 WeakPolarHBondContact O-CA 3.43Å; K181-G212 PolarHBondContact O-N 3.02Å; K181-Y213 HydrophobicContact CD-CE2 4.4Å; K181-Y213 PolarHBondContact NZ-OH 3.05Å
182G97.5Very high98.1Very high12 Ų1236.8 Ų36.812%0.12421%0.207CC..  trans79.2-2.3178.700000116S179S179-G182 PolarHBondContact O-N 2.93Å; S179-G182 PolarHBondContact OG-N 3.34Å
183N98.1Very high98.2Very high18 Ų1834.5 Ų34.510%0.09618%0.184CC..  trans-55.1138.3174.6-162.857.4000111.7M154 K178 S179 K181 H187 D188M154-N183 WeakPolarHBondContact CE-O 3.46Å; K178-N183 CarbonylContact C-O 3.53Å; K178-N183 WeakPolarHBondContact CA-O 3.46Å; S179-N183 PolarHBondContact N-O 3.38Å; S179-N183 WeakPolarHBondContact OG-CB 3.49Å; S179-N183 PolarHBondContact OG-N 3.29Å; K181-N183 VanDerWaalsContact C-N 3.28Å; K181-N183 PolarHBondContact O-N 3.04Å; N183-H187 WeakPolarHBondContact OD1-CB 3.35Å; N183-D188 VanDerWaalsContact ND2-CG 3.32Å; N183-D188 PolarHBondContact ND2-OD1 2.99Å; N183-D188 PolarHBondContact ND2-OD2 3.14Å
184T98.6Very high98.2Very high6 Ų635 Ų354%0.03719%0.186CC..  trans-122.8166175.970.30000110.6K178 L186 H187 D188K178-T184 HydrophobicContact CG-CG2 3.85Å; T184-L186 PolarHBondContact O-N 2.85Å; T184-L186 VanDerWaalsContact O-N 3.08Å; T184-L186 PolarHBondContact OG1-N 3.14Å; T184-H187 PolarHBondContact N-ND1 3.26Å; T184-H187 WeakPolarHBondContact O-CA 3.38Å; T184-H187 WeakPolarHBondContact O-CB 3.46Å; T184-H187 PolarHBondContact O-N 3.26Å; T184-H187 PolarHBondContact OG1-ND1 2.99Å; T184-D188 PolarHBondContact O-N 3.28Å; T184-D188 VanDerWaalsContact O-N 3.14Å
185A98.7Very high98.2Very high3 Ų332.9 Ų32.93%0.02518%0.175CC..Hα-helixtrans-57.6-25.817600000113.8L153 M154 C189 L201L153-A185 HydrophobicContact CD2-CB 4.32Å; L153-A185 HydrophobicContact CG-CB 4.19Å; M154-A185 HydrophobicContact CG-CB 4.36Å; A185-C189 PolarHBondContact O-N 3.45Å; A185-C189 VanDerWaalsContact O-N 3.11Å; A185-C189 PolarHBondContact O-SG 3.16Å; A185-L201 HydrophobicContact CB-CD1 3.84Å; A185-L201 HydrophobicContact CB-CD2 4.3Å; A185-L201 WeakPolarHBondContact O-CD1 3.18Å
186L98.8Very high98.2Very high4 Ų436.8 Ų36.82%0.02119%0.192CC..Hα-helixtrans-70.6-36.8172.9-75.9173.9000112.5T184 C189 A190 M198 L201 L202 A206 K207 M208 P217T184-L186 PolarHBondContact O-N 2.85Å; T184-L186 VanDerWaalsContact O-N 3.08Å; T184-L186 PolarHBondContact OG1-N 3.14Å; L186-C189 PolarHBondContact O-N 3.35Å; L186-A190 WeakPolarHBondContact O-CB 3.43Å; L186-A190 PolarHBondContact O-N 3.26Å; L186-M198 HydrophobicContact CD2-CG 3.91Å; L186-L201 HydrophobicContact CD2-CB 3.85Å; L186-L201 HydrophobicContact CD2-CD1 3.94Å; L186-L201 HydrophobicContact CG-CB 4.48Å; L186-L201 HydrophobicContact CG-CD1 4.27Å; L186-L202 HydrophobicContact CD1-CD2 4.28Å; L186-L202 HydrophobicContact CD2-CD2 4.22Å; L186-L202 HydrophobicContact CD2-CG 4.2Å; L186-A206 HydrophobicContact CD1-CB 3.61Å; L186-A206 HydrophobicContact CD2-CB 4.21Å; L186-A206 HydrophobicContact CG-CB 3.85Å; L186-K207 WeakPolarHBondContact CD1-O 3.46Å; L186-M208 HydrophobicContact CD1-CG 3.95Å; L186-P217 HydrophobicContact CB-CB 4.15Å; L186-P217 HydrophobicContact CB-CG 3.68Å
187H98.8Very high98.2Very high0 Ų034.3 Ų34.30%018%0.179CC..Hα-helixtrans-64.7-42.7173-66.587.9000110.3N183 T184 C189 A190 E191 E209 M215N183-H187 WeakPolarHBondContact OD1-CB 3.35Å; T184-H187 PolarHBondContact N-ND1 3.26Å; T184-H187 WeakPolarHBondContact O-CA 3.38Å; T184-H187 WeakPolarHBondContact O-CB 3.46Å; T184-H187 PolarHBondContact O-N 3.26Å; T184-H187 PolarHBondContact OG1-ND1 2.99Å; H187-C189 VanDerWaalsContact C-N 3.3Å; H187-C189 PolarHBondContact O-N 3.25Å; H187-A190 CarbonylContact O-C 3.57Å; H187-A190 WeakPolarHBondContact O-CA 3.47Å; H187-A190 WeakPolarHBondContact O-CB 2.99Å; H187-A190 PolarHBondContact O-N 3.45Å; H187-E191 WeakPolarHBondContact O-CG 3.44Å; H187-E191 PolarHBondContact O-N 2.91Å; H187-E209 PolarHBondContact CE1-O 3Å; H187-E209 PolarHBondContact NE2-O 2.93Å; H187-M215 PolarHBondContact NE2-O 3.29Å
188D98.8Very high98.2Very high2 Ų231.6 Ų31.61%0.01117%0.169CC..Hα-helixtrans-60.3-38.8175.7-66.8-43.3000112.8H150 M154 C157 N183 T184 A190 S192H150-D188 IonicContact NE2-OD1 2.84Å; H150-D188 IonicContact NE2-OD2 2.54Å; M154-D188 WeakPolarHBondContact CA-OD2 3.49Å; M154-D188 WeakPolarHBondContact CB-OD2 3.35Å; M154-D188 VanDerWaalsContact CG-OD2 3.26Å; M154-D188 WeakPolarHBondContact CG-OD2 3.38Å; M154-D188 WeakPolarHBondContact O-CB 3.3Å; C157-D188 HydrophobicContact CB-CB 3.8Å; N183-D188 VanDerWaalsContact ND2-CG 3.32Å; N183-D188 PolarHBondContact ND2-OD1 2.99Å; N183-D188 PolarHBondContact ND2-OD2 3.14Å; T184-D188 PolarHBondContact O-N 3.28Å; T184-D188 VanDerWaalsContact O-N 3.14Å; D188-A190 VanDerWaalsContact C-N 3.35Å; D188-S192 VanDerWaalsContact O-CB 3.32Å; D188-S192 WeakPolarHBondContact O-CB 3.4Å; D188-S192 PolarHBondContact O-N 3.14Å; D188-S192 VanDerWaalsContact O-N 3.13Å; D188-S192 PolarHBondContact O-OG 3.34Å
189C98.8Very high98.2Very high0 Ų030.4 Ų30.40%016%0.164CC..Hα-helixtrans-65.7-39.2172-66.70000112.1A185 L186 H187 S192 G193 S194 M198 L201A185-C189 PolarHBondContact O-N 3.45Å; A185-C189 VanDerWaalsContact O-N 3.11Å; A185-C189 PolarHBondContact O-SG 3.16Å; L186-C189 PolarHBondContact O-N 3.35Å; H187-C189 VanDerWaalsContact C-N 3.3Å; H187-C189 PolarHBondContact O-N 3.25Å; C189-S192 PolarHBondContact O-OG 3.41Å; C189-G193 CarbonylContact O-C 3.35Å; C189-G193 WeakPolarHBondContact O-CA 3.4Å; C189-G193 PolarHBondContact O-N 2.96Å; C189-S194 PolarHBondContact O-N 3.43Å; C189-M198 HydrophobicContact CB-CB 3.84Å; C189-M198 HydrophobicContact CB-CE 3.91Å; C189-L201 WeakPolarHBondContact SG-CD1 3.41Å
190A98.6Very high98.2Very high0 Ų030.6 Ų30.60%016%0.163CC..Hα-helixtrans-66.6-39.917900000112.5L186 H187 D188 M198 P217 A221 T224 H226 I229L186-A190 WeakPolarHBondContact O-CB 3.43Å; L186-A190 PolarHBondContact O-N 3.26Å; H187-A190 CarbonylContact O-C 3.57Å; H187-A190 WeakPolarHBondContact O-CA 3.47Å; H187-A190 WeakPolarHBondContact O-CB 2.99Å; H187-A190 PolarHBondContact O-N 3.45Å; D188-A190 VanDerWaalsContact C-N 3.35Å; A190-M198 HydrophobicContact CB-CE 3.95Å; A190-P217 HydrophobicContact CB-CB 4.14Å; A190-P217 WeakPolarHBondContact CB-O 3.32Å; A190-A221 HydrophobicContact CB-CB 4.07Å; A190-T224 PolarHBondContact O-OG1 3.39Å; A190-H226 PolarHBondContact O-CD2 2.93Å; A190-I229 HydrophobicContact CB-CG2 4.3Å
191E98.4Very high98.3Very high64 Ų6425 Ų2530%0.29913%0.129SC..Hα-helixtrans-77.6-23.8-179.2-69.6-178.6-163.600113.8Y158 H187 T224 H226Y158-E191 HydrophobicContact CD2-CB 4.48Å; Y158-E191 HydrophobicContact CE2-CB 4.24Å; H187-E191 WeakPolarHBondContact O-CG 3.44Å; H187-E191 PolarHBondContact O-N 2.91Å; E191-T224 HydrophobicContact CB-CG2 4.18Å; E191-T224 HydrophobicContact CG-CG2 4.08Å; E191-H226 PolarHBondContact O-CD2 2.72Å; E191-H226 VanDerWaalsContact O-CD2 3.25Å; E191-H226 PolarHBondContact O-NE2 3.39Å
192S98.1Very high98.5Very high34 Ų3420.3 Ų20.324%0.23811%0.11CC..Hα-helixtrans-95.7-15.1176.261.40000113.9C157 Y158 D188 C189 S194C157-S192 PolarHBondContact O-OG 3.42Å; Y158-S192 WeakPolarHBondContact O-CB 3.48Å; D188-S192 VanDerWaalsContact O-CB 3.32Å; D188-S192 WeakPolarHBondContact O-CB 3.4Å; D188-S192 PolarHBondContact O-N 3.14Å; D188-S192 VanDerWaalsContact O-N 3.13Å; D188-S192 PolarHBondContact O-OG 3.34Å; C189-S192 PolarHBondContact O-OG 3.41Å; S192-S194 VanDerWaalsContact C-N 3.33Å; S192-S194 WeakPolarHBondContact OG-CB 3.07Å; S192-S194 PolarHBondContact OG-OG 2.82Å
193G98.3Very high98.5Very high11 Ų1128 Ų2811%0.11314%0.14CC..THydrogen-bonded Turntrans77.117.6-174.300000113.8C189 L195 H226 N228C189-G193 CarbonylContact O-C 3.35Å; C189-G193 WeakPolarHBondContact O-CA 3.4Å; C189-G193 PolarHBondContact O-N 2.96Å; G193-L195 VanDerWaalsContact C-N 3.3Å; G193-L195 PolarHBondContact O-N 2.95Å; G193-H226 PolarHBondContact N-CD2 3.05Å; G193-H226 PolarHBondContact N-NE2 3.33Å; G193-N228 PolarHBondContact O-ND2 3Å
194S98.4Very high98.4Very high21 Ų2132 Ų3215%0.14715%0.154CC..  trans-77.168.5-175.5-620000113C157 G160 C189 S192 E196 I197 M198C157-S194 PolarHBondContact O-OG 3.31Å; G160-S194 WeakPolarHBondContact CA-OG 3.36Å; C189-S194 PolarHBondContact O-N 3.43Å; S192-S194 VanDerWaalsContact C-N 3.33Å; S192-S194 WeakPolarHBondContact OG-CB 3.07Å; S192-S194 PolarHBondContact OG-OG 2.82Å; S194-E196 PolarHBondContact O-N 2.83Å; S194-I197 PolarHBondContact O-N 2.93Å; S194-M198 PolarHBondContact O-N 3.49Å
195L98.6Very high98.3Very high31 Ų3136.5 Ų36.516%0.16219%0.185CC..Hα-helixtrans-58.3-41.5-173.7178.261.1000113.8G193 I197 M198 K199 N228 I229 F232G193-L195 VanDerWaalsContact C-N 3.3Å; G193-L195 PolarHBondContact O-N 2.95Å; L195-I197 VanDerWaalsContact C-N 3.32Å; L195-I197 PolarHBondContact O-N 2.97Å; L195-M198 WeakPolarHBondContact O-CB 3.29Å; L195-M198 PolarHBondContact O-N 3.37Å; L195-K199 HydrophobicContact CD1-CG 4.43Å; L195-K199 HydrophobicContact CG-CD 4.47Å; L195-K199 WeakPolarHBondContact O-CG 3.49Å; L195-K199 PolarHBondContact O-N 3.45Å; L195-N228 HydrophobicContact CD2-CB 4.34Å; L195-I229 VanDerWaalsContact CA-CD1 3.49Å; L195-I229 HydrophobicContact CB-CD1 3.8Å; L195-I229 HydrophobicContact CD1-CD1 3.99Å; L195-F232 HydrophobicContact CD1-CB 3.64Å; L195-F232 HydrophobicContact CD1-CD1 3.71Å; L195-F232 HydrophobicContact CD1-CD2 4.28Å; L195-F232 HydrophobicContact CD1-CE1 4.46Å; L195-F232 HydrophobicContact CD1-CG 3.6Å
196E98.6Very high98.3Very high95 Ų9536.5 Ų36.544%0.44419%0.185SC..Hα-helixtrans-68.6-33.2-178.2-65.2-54.8121.400112.3K162 S194 K199 M200K162-E196 HydrophobicContact CD-CB 4.44Å; S194-E196 PolarHBondContact O-N 2.83Å; E196-K199 IonicContact OE1-NZ 3.04Å; E196-K199 PolarHBondContact OE1-NZ 2.91Å; E196-M200 PolarHBondContact O-N 3.36Å
197I98.8Very high98.2Very high4 Ų442.1 Ų42.12%0.02121%0.209CC..Hα-helixtrans-71.9-42.7173.1-53.3-178.5000109.6C157 K162 A165 S194 L195 K199 M200 L201C157-I197 HydrophobicContact CB-CG2 4.38Å; C157-I197 VanDerWaalsContact SG-CG2 3.55Å; K162-I197 HydrophobicContact CB-CD1 4.22Å; K162-I197 HydrophobicContact CB-CG1 4.02Å; K162-I197 HydrophobicContact CG-CG1 4.28Å; A165-I197 HydrophobicContact CB-CG2 3.95Å; S194-I197 PolarHBondContact O-N 2.93Å; L195-I197 VanDerWaalsContact C-N 3.32Å; L195-I197 PolarHBondContact O-N 2.97Å; I197-K199 VanDerWaalsContact C-N 3.33Å; I197-K199 PolarHBondContact O-N 3.02Å; I197-M200 CarbonylContact O-C 3.59Å; I197-M200 WeakPolarHBondContact O-CA 3.37Å; I197-M200 VanDerWaalsContact O-CB 3.24Å; I197-M200 WeakPolarHBondContact O-CB 3.24Å; I197-M200 PolarHBondContact O-N 3.4Å; I197-L201 HydrophobicContact CG2-CD1 4.46Å; I197-L201 HydrophobicContact CG2-CG 4.33Å; I197-L201 WeakPolarHBondContact O-CG 3.33Å; I197-L201 PolarHBondContact O-N 3.29Å
198M98.8Very high98.1Very high1 Ų144 Ų441%0.00522%0.218CC..Hα-helixtrans-55.5-47.2175.2179.4173.2-73.600112.2L186 C189 A190 S194 L195 M200 L201 L202 I229 F232 L233L186-M198 HydrophobicContact CD2-CG 3.91Å; C189-M198 HydrophobicContact CB-CB 3.84Å; C189-M198 HydrophobicContact CB-CE 3.91Å; A190-M198 HydrophobicContact CB-CE 3.95Å; S194-M198 PolarHBondContact O-N 3.49Å; L195-M198 WeakPolarHBondContact O-CB 3.29Å; L195-M198 PolarHBondContact O-N 3.37Å; M198-M200 PolarHBondContact O-N 3.27Å; M198-L201 PolarHBondContact O-N 3.13Å; M198-L202 HydrophobicContact CG-CD1 4.24Å; M198-L202 WeakPolarHBondContact O-CG 3.43Å; M198-L202 PolarHBondContact O-N 3.49Å; M198-I229 HydrophobicContact CE-CD1 3.99Å; M198-I229 HydrophobicContact CE-CG2 3.55Å; M198-I229 HydrophobicContact SD-CD1 3.99Å; M198-I229 HydrophobicContact SD-CG2 3.77Å; M198-F232 HydrophobicContact CG-CE1 4.49Å; M198-F232 HydrophobicContact SD-CD1 4.19Å; M198-F232 HydrophobicContact SD-CE1 4.38Å; M198-L233 HydrophobicContact CE-CD1 4.14Å; M198-L233 HydrophobicContact SD-CD1 3.84Å; M198-L233 HydrophobicContact SD-CD2 3.88Å; M198-L233 HydrophobicContact SD-CG 3.88Å
199K98.5Very high98Very high68 Ų6847 Ų4730%0.29623%0.232SC..Hα-helixtrans-58.5-38.8175-72.1172.4-176166.20111.6L195 E196 I197 K203 F232L195-K199 HydrophobicContact CD1-CG 4.43Å; L195-K199 HydrophobicContact CG-CD 4.47Å; L195-K199 WeakPolarHBondContact O-CG 3.49Å; L195-K199 PolarHBondContact O-N 3.45Å; E196-K199 IonicContact OE1-NZ 3.04Å; E196-K199 PolarHBondContact OE1-NZ 2.91Å; I197-K199 VanDerWaalsContact C-N 3.33Å; I197-K199 PolarHBondContact O-N 3.02Å; K199-K203 WeakPolarHBondContact O-CG 3.46Å; K199-K203 PolarHBondContact O-N 2.69Å; K199-F232 HydrophobicContact CG-CE1 4.36Å; K199-F232 HydrophobicContact CG-CE2 4.14Å; K199-F232 HydrophobicContact CG-CZ 3.9Å
200M98.6Very high97.9Very high22 Ų2253.2 Ų53.211%0.10826%0.259CS..Hα-helixtrans-64.6-49.8176.2-167.9-171.8-49.700111.4K162 Q166 L169 E196 I197 M198 L202 K203 Y204K162-M200 HydrophobicContact CD-CE 4.46Å; K162-M200 HydrophobicContact CG-CE 3.72Å; Q166-M200 VanDerWaalsContact CA-SD 3.56Å; Q166-M200 HydrophobicContact CB-CE 3.91Å; Q166-M200 HydrophobicContact CB-SD 3.59Å; Q166-M200 VanDerWaalsContact CB-SD 3.59Å; Q166-M200 HydrophobicContact CG-CE 4.41Å; Q166-M200 HydrophobicContact CG-SD 3.97Å; L169-M200 HydrophobicContact CD1-CG 4.01Å; L169-M200 HydrophobicContact CD1-SD 3.81Å; E196-M200 PolarHBondContact O-N 3.36Å; I197-M200 CarbonylContact O-C 3.59Å; I197-M200 WeakPolarHBondContact O-CA 3.37Å; I197-M200 VanDerWaalsContact O-CB 3.24Å; I197-M200 WeakPolarHBondContact O-CB 3.24Å; I197-M200 PolarHBondContact O-N 3.4Å; M198-M200 PolarHBondContact O-N 3.27Å; M200-L202 VanDerWaalsContact C-N 3.29Å; M200-L202 PolarHBondContact O-N 2.67Å; M200-K203 WeakPolarHBondContact O-CA 3.32Å; M200-K203 WeakPolarHBondContact O-CB 3.14Å; M200-K203 PolarHBondContact O-N 3.2Å; M200-Y204 HydrophobicContact CG-CD2 4.41Å; M200-Y204 HydrophobicContact CG-CE2 4.29Å; M200-Y204 WeakPolarHBondContact O-CD2 3.48Å; M200-Y204 PolarHBondContact O-N 3.37Å
201L98.6Very high97.8Very high0 Ų054.3 Ų54.30%027%0.265CS..Hα-helixtrans-57.4-41.5177.8-62.2174.6000111.9L153 L169 V175 A185 L186 C189 I197 M198 K203 Y204 C205 A206L153-L201 HydrophobicContact CD1-CD2 4.32Å; L153-L201 HydrophobicContact CD2-CD2 4.26Å; L169-L201 HydrophobicContact CD1-CD2 3.94Å; L169-L201 HydrophobicContact CD2-CD2 4.17Å; V175-L201 HydrophobicContact CG2-CB 4.06Å; V175-L201 HydrophobicContact CG2-CD2 3.57Å; V175-L201 HydrophobicContact CG2-CG 4.36Å; A185-L201 HydrophobicContact CB-CD1 3.84Å; A185-L201 HydrophobicContact CB-CD2 4.3Å; A185-L201 WeakPolarHBondContact O-CD1 3.18Å; L186-L201 HydrophobicContact CD2-CB 3.85Å; L186-L201 HydrophobicContact CD2-CD1 3.94Å; L186-L201 HydrophobicContact CG-CB 4.48Å; L186-L201 HydrophobicContact CG-CD1 4.27Å; C189-L201 WeakPolarHBondContact SG-CD1 3.41Å; I197-L201 HydrophobicContact CG2-CD1 4.46Å; I197-L201 HydrophobicContact CG2-CG 4.33Å; I197-L201 WeakPolarHBondContact O-CG 3.33Å; I197-L201 PolarHBondContact O-N 3.29Å; M198-L201 PolarHBondContact O-N 3.13Å; L201-K203 VanDerWaalsContact C-N 3.3Å; L201-K203 PolarHBondContact O-N 2.92Å; L201-Y204 CarbonylContact O-C 3.49Å; L201-Y204 WeakPolarHBondContact O-CA 3.28Å; L201-Y204 PolarHBondContact O-N 2.98Å; L201-C205 PolarHBondContact O-N 3.36Å; L201-A206 HydrophobicContact CB-CB 3.92Å; L201-A206 WeakPolarHBondContact O-CB 3.49Å; L201-A206 PolarHBondContact O-N 3.38Å; L201-A206 VanDerWaalsContact O-N 3.08Å
202L97.6Very high97.7Very high31 Ų3154.2 Ų54.216%0.16228%0.281CS..Hα-helixtrans-64.3-33176.5-69.1172000112.8L186 M198 M200 Y204 C205 F232L186-L202 HydrophobicContact CD1-CD2 4.28Å; L186-L202 HydrophobicContact CD2-CD2 4.22Å; L186-L202 HydrophobicContact CD2-CG 4.2Å; M198-L202 HydrophobicContact CG-CD1 4.24Å; M198-L202 WeakPolarHBondContact O-CG 3.43Å; M198-L202 PolarHBondContact O-N 3.49Å; M200-L202 VanDerWaalsContact C-N 3.29Å; M200-L202 PolarHBondContact O-N 2.67Å; L202-Y204 VanDerWaalsContact C-N 3.25Å; L202-Y204 PolarHBondContact O-N 2.95Å; L202-C205 PolarHBondContact O-N 2.68Å; L202-F232 HydrophobicContact CD1-CE1 3.65Å; L202-F232 HydrophobicContact CD1-CZ 3.99Å
203K97.3Very high97.5Very high173 Ų17357.1 Ų57.175%0.75229%0.288SS*.Hα-helixtrans-65.2-30.6171.4-70.2174.4-179-176.50112.3K199 M200 L201 C205K199-K203 WeakPolarHBondContact O-CG 3.46Å; K199-K203 PolarHBondContact O-N 2.69Å; M200-K203 WeakPolarHBondContact O-CA 3.32Å; M200-K203 WeakPolarHBondContact O-CB 3.14Å; M200-K203 PolarHBondContact O-N 3.2Å; L201-K203 VanDerWaalsContact C-N 3.3Å; L201-K203 PolarHBondContact O-N 2.92Å; K203-C205 PolarHBondContact O-N 3.16Å
204Y97.6Very high97.4Very high102 Ų10258.1 Ų58.140%0.430%0.298SS..THydrogen-bonded Turntrans-84.119.8170.9-76.7-94.7000112.8L169 M200 L201 L202 A206L169-Y204 HydrophobicContact CB-CD1 4.34Å; L169-Y204 HydrophobicContact CB-CD2 4.34Å; L169-Y204 HydrophobicContact CB-CE1 4.02Å; L169-Y204 HydrophobicContact CB-CE2 4.02Å; L169-Y204 HydrophobicContact CB-CG 4.5Å; L169-Y204 HydrophobicContact CD1-CD2 3.91Å; L169-Y204 HydrophobicContact CD1-CE2 4.06Å; L169-Y204 HydrophobicContact CD1-CG 4.44Å; L169-Y204 HydrophobicContact CD2-CD1 4.41Å; L169-Y204 HydrophobicContact CD2-CD2 4.47Å; L169-Y204 HydrophobicContact CD2-CG 4.19Å; L169-Y204 HydrophobicContact CG-CD2 4.49Å; M200-Y204 HydrophobicContact CG-CD2 4.41Å; M200-Y204 HydrophobicContact CG-CE2 4.29Å; M200-Y204 WeakPolarHBondContact O-CD2 3.48Å; M200-Y204 PolarHBondContact O-N 3.37Å; L201-Y204 CarbonylContact O-C 3.49Å; L201-Y204 WeakPolarHBondContact O-CA 3.28Å; L201-Y204 PolarHBondContact O-N 2.98Å; L202-Y204 VanDerWaalsContact C-N 3.25Å; L202-Y204 PolarHBondContact O-N 2.95Å; Y204-A206 VanDerWaalsContact C-N 3.29Å; Y204-A206 PolarHBondContact O-N 3.41Å
205C96.5Very high97.3Very high100 Ų10057.5 Ų57.568%0.67629%0.293SS*.THydrogen-bonded Turntrans59.333177-56.60000114.6L201 L202 K203 K207L201-C205 PolarHBondContact O-N 3.36Å; L202-C205 PolarHBondContact O-N 2.68Å; K203-C205 PolarHBondContact O-N 3.16Å; C205-K207 PolarHBondContact O-N 3.28Å
206A97.8Very high97.3Very high3 Ų356.7 Ų56.73%0.02529%0.289CS..  trans-58.6133.5170.200000111.5V175 L186 L201 Y204V175-A206 HydrophobicContact CG1-CB 4.2Å; V175-A206 HydrophobicContact CG2-CB 3.63Å; L186-A206 HydrophobicContact CD1-CB 3.61Å; L186-A206 HydrophobicContact CD2-CB 4.21Å; L186-A206 HydrophobicContact CG-CB 3.85Å; L201-A206 HydrophobicContact CB-CB 3.92Å; L201-A206 WeakPolarHBondContact O-CB 3.49Å; L201-A206 PolarHBondContact O-N 3.38Å; L201-A206 VanDerWaalsContact O-N 3.08Å; Y204-A206 VanDerWaalsContact C-N 3.29Å; Y204-A206 PolarHBondContact O-N 3.41Å
207K97.4Very high97.3Very high123 Ų12352.1 Ų52.154%0.53527%0.268SS..  trans-91.2130.5179.9-62.9178.9-175.9174.70110.8N176 L186 C205 E209N176-K207 PolarHBondContact OD1-N 2.89Å; L186-K207 WeakPolarHBondContact CD1-O 3.46Å; C205-K207 PolarHBondContact O-N 3.28Å; K207-E209 HydrophobicContact CB-CG 3.94Å; K207-E209 PolarHBondContact O-N 3.11Å
208M96.6Very high97.3Very high39 Ų3952 Ų5219%0.19227%0.268CS..  trans-76.3106.2168.8-72.6-168.2-79.200109.4L186 P217 L233 H236 Q238 T239L186-M208 HydrophobicContact CD1-CG 3.95Å; M208-P217 HydrophobicContact CG-CG 4.33Å; M208-L233 HydrophobicContact CE-CD2 4.34Å; M208-L233 HydrophobicContact SD-CD1 4.32Å; M208-L233 HydrophobicContact SD-CD2 3.72Å; M208-H236 WeakPolarHBondContact CE-ND1 3.46Å; M208-Q238 HydrophobicContact CE-CB 3.38Å; M208-Q238 HydrophobicContact CE-CG 4.27Å; M208-T239 HydrophobicContact CE-CG2 4.05Å; M208-T239 HydrophobicContact SD-CG2 4.4Å
209E96Very high97.3Very high65 Ų6553.1 Ų53.130%0.30427%0.273SS..  trans-122165.6-178.8-60.8-163.6-177.200111K178 H187 K207 P217K178-E209 WeakPolarHBondContact CE-OE2 3.41Å; K178-E209 IonicContact NZ-OE2 3.46Å; K178-E209 PolarHBondContact NZ-OE2 3.38Å; H187-E209 PolarHBondContact CE1-O 3Å; H187-E209 PolarHBondContact NE2-O 2.93Å; K207-E209 HydrophobicContact CB-CG 3.94Å; K207-E209 PolarHBondContact O-N 3.11Å; E209-P217 WeakPolarHBondContact O-CD 3.43Å
210K97.4Very high97.3Very high131 Ų13150.1 Ų50.157%0.5726%0.261SS*.  trans-83.4138.1173.7-67.8-178.8178.9-175.50110.9G214 M215 T216K210-G214 WeakPolarHBondContact CD-O 3.38Å; K210-M215 CarbonylContact C-O 3.56Å; K210-M215 WeakPolarHBondContact CA-O 3.34Å; K210-T216 HydrophobicContact CG-CG2 3.74Å
211D97.1Very high97.3Very high22 Ų2249 Ų4912%0.11826%0.256CS..  trans-77.4-174.2168.979.8-6.2000112Y213 G214 M215D211-Y213 PolarHBondContact O-N 3.47Å; D211-Y213 WeakPolarHBondContact OD1-CA 2.99Å; D211-Y213 WeakPolarHBondContact OD1-CB 3.28Å; D211-Y213 PolarHBondContact OD1-N 3.15Å; D211-G214 PolarHBondContact O-N 2.91Å; D211-G214 PolarHBondContact OD1-N 3Å; D211-G214 VanDerWaalsContact OD1-N 3.08Å; D211-M215 PolarHBondContact N-O 2.61Å; D211-M215 VanDerWaalsContact OD1-CB 3.32Å; D211-M215 WeakPolarHBondContact OD1-CB 3.46Å; D211-M215 PolarHBondContact OD1-N 3.32Å
212G94.7Very high97.3Very high62 Ų6249 Ų4964%0.63926%0.256SS*.THydrogen-bonded Turntrans-67-14.8179.400000114.8K181K181-G212 WeakPolarHBondContact O-CA 3.43Å; K181-G212 PolarHBondContact O-N 3.02Å
213Y93.7Very high97.3Very high95 Ų9548.1 Ų48.137%0.37325%0.251SS..THydrogen-bonded Turntrans-94.70.9171.9-60.6-68.4000112.3K181 D211 M215K181-Y213 HydrophobicContact CD-CE2 4.4Å; K181-Y213 PolarHBondContact NZ-OH 3.05Å; D211-Y213 PolarHBondContact O-N 3.47Å; D211-Y213 WeakPolarHBondContact OD1-CA 2.99Å; D211-Y213 WeakPolarHBondContact OD1-CB 3.28Å; D211-Y213 PolarHBondContact OD1-N 3.15Å; Y213-M215 VanDerWaalsContact C-N 3.32Å
214G96.1Very high97.3Very high33 Ų3341.3 Ų41.334%0.3422%0.224SC..SBendtrans81.211.6-175.800000113.9K210 D211K210-G214 WeakPolarHBondContact CD-O 3.38Å; D211-G214 PolarHBondContact O-N 2.91Å; D211-G214 PolarHBondContact OD1-N 3Å; D211-G214 VanDerWaalsContact OD1-N 3.08Å
215M97.9Very high97.3Very high7 Ų736.7 Ų36.73%0.03421%0.207CC..  trans-84131.7-177.2-59-62.4-75.600110.4H187 K210 D211 Y213 L219 V223 L330H187-M215 PolarHBondContact NE2-O 3.29Å; K210-M215 CarbonylContact C-O 3.56Å; K210-M215 WeakPolarHBondContact CA-O 3.34Å; D211-M215 PolarHBondContact N-O 2.61Å; D211-M215 VanDerWaalsContact OD1-CB 3.32Å; D211-M215 WeakPolarHBondContact OD1-CB 3.46Å; D211-M215 PolarHBondContact OD1-N 3.32Å; Y213-M215 VanDerWaalsContact C-N 3.32Å; M215-L219 HydrophobicContact CE-CB 3.55Å; M215-L219 HydrophobicContact SD-CB 4.14Å; M215-L219 HydrophobicContact SD-CD1 4.47Å; M215-V223 HydrophobicContact CE-CB 4.39Å; M215-V223 HydrophobicContact CE-CG2 3.38Å; M215-L330 HydrophobicContact CE-CD2 3.56Å; M215-L330 HydrophobicContact SD-CD2 3.5Å; M215-L330 VanDerWaalsContact SD-CD2 3.5Å
216T98.2Very high97.4Very high14 Ų1434.5 Ų34.59%0.08619%0.187CC..  trans-88163.8164.962.40000109.6K210 L218 L219 S220K210-T216 HydrophobicContact CG-CG2 3.74Å; T216-L218 PolarHBondContact O-N 2.97Å; T216-L218 VanDerWaalsContact O-N 3.09Å; T216-L219 PolarHBondContact O-N 3.37Å; T216-L219 PolarHBondContact OG1-N 3.48Å; T216-S220 PolarHBondContact O-N 2.92Å; T216-S220 PolarHBondContact O-OG 3.29Å
217P98.5Very high97.4Very high0 Ų036.2 Ų36.20%020%0.198CC..Hα-helixtrans-53.7-33.5172.8-28.536.2000113.1L186 A190 M208 E209 A221 L233L186-P217 HydrophobicContact CB-CB 4.15Å; L186-P217 HydrophobicContact CB-CG 3.68Å; A190-P217 HydrophobicContact CB-CB 4.14Å; A190-P217 WeakPolarHBondContact CB-O 3.32Å; M208-P217 HydrophobicContact CG-CG 4.33Å; E209-P217 WeakPolarHBondContact O-CD 3.43Å; P217-A221 PolarHBondContact O-N 3.45Å; P217-A221 VanDerWaalsContact O-N 3.08Å; P217-L233 HydrophobicContact CB-CD1 4.41Å
218L98.6Very high97.5Very high1 Ų133.4 Ų33.41%0.00519%0.188CC..Hα-helixtrans-63.7-45.9174.3173.463.9000112T216 A221 S222 V230 L233 T234 T239 E243 A247T216-L218 PolarHBondContact O-N 2.97Å; T216-L218 VanDerWaalsContact O-N 3.09Å; L218-A221 PolarHBondContact O-N 2.73Å; L218-S222 PolarHBondContact O-N 3.16Å; L218-S222 VanDerWaalsContact O-N 3.16Å; L218-S222 PolarHBondContact O-OG 3.28Å; L218-V230 HydrophobicContact CD1-CB 4.47Å; L218-V230 HydrophobicContact CD1-CG1 4.24Å; L218-V230 HydrophobicContact CD1-CG2 4.47Å; L218-L233 HydrophobicContact CB-CB 4.29Å; L218-L233 HydrophobicContact CB-CD1 3.93Å; L218-L233 HydrophobicContact CD1-CB 3.69Å; L218-L233 HydrophobicContact CD1-CD1 4.45Å; L218-L233 HydrophobicContact CG-CB 4.45Å; L218-T234 HydrophobicContact CD1-CG2 4.05Å; L218-T239 HydrophobicContact CD2-CG2 4.09Å; L218-E243 HydrophobicContact CD2-CB 4.45Å; L218-A247 HydrophobicContact CD1-CB 3.75Å; L218-A247 HydrophobicContact CD2-CB 3.62Å; L218-A247 HydrophobicContact CG-CB 3.48Å; L218-A247 VanDerWaalsContact CG-CB 3.48Å
219L98.4Very high97.6Very high24 Ų2431.5 Ų31.513%0.12618%0.179CC..Hα-helixtrans-69.7-38.2178.4-70.6175.2000111.9M215 T216 A221 S222 V223 A247 L250 I329M215-L219 HydrophobicContact CE-CB 3.55Å; M215-L219 HydrophobicContact SD-CB 4.14Å; M215-L219 HydrophobicContact SD-CD1 4.47Å; T216-L219 PolarHBondContact O-N 3.37Å; T216-L219 PolarHBondContact OG1-N 3.48Å; L219-A221 VanDerWaalsContact C-N 3.28Å; L219-A221 PolarHBondContact O-N 3.49Å; L219-S222 WeakPolarHBondContact O-CB 3.24Å; L219-S222 PolarHBondContact O-N 3.09Å; L219-S222 VanDerWaalsContact O-N 3.08Å; L219-V223 WeakPolarHBondContact O-CG2 3.47Å; L219-V223 PolarHBondContact O-N 2.84Å; L219-A247 HydrophobicContact CD2-CB 4.33Å; L219-L250 HydrophobicContact CD2-CD2 3.95Å; L219-I329 HydrophobicContact CD2-CG2 3.99Å
220S98.4Very high97.7Very high5 Ų528.4 Ų28.44%0.03517%0.165CC..Hα-helixtrans-59.4-39.7174.6-60.80000111.8T216 V223 T224T216-S220 PolarHBondContact O-N 2.92Å; T216-S220 PolarHBondContact O-OG 3.29Å; S220-V223 PolarHBondContact O-N 3.39Å; S220-T224 WeakPolarHBondContact O-CG2 3.31Å; S220-T224 PolarHBondContact O-N 2.62Å; S220-T224 PolarHBondContact O-OG1 2.99Å
221A98.6Very high97.7Very high0 Ų024.7 Ų24.70%015%0.151CC..Hα-helixtrans-64.1-39.317300000112.7A190 P217 L218 L219 T224 G225 H226 I229 V230A190-A221 HydrophobicContact CB-CB 4.07Å; P217-A221 PolarHBondContact O-N 3.45Å; P217-A221 VanDerWaalsContact O-N 3.08Å; L218-A221 PolarHBondContact O-N 2.73Å; L219-A221 VanDerWaalsContact C-N 3.28Å; L219-A221 PolarHBondContact O-N 3.49Å; A221-T224 WeakPolarHBondContact CA-OG1 3.28Å; A221-T224 PolarHBondContact O-OG1 3.04Å; A221-G225 PolarHBondContact O-N 2.83Å; A221-H226 PolarHBondContact O-N 3.09Å; A221-I229 HydrophobicContact CB-CB 3.69Å; A221-I229 HydrophobicContact CB-CG2 3.44Å; A221-I229 VanDerWaalsContact CB-CG2 3.44Å; A221-V230 HydrophobicContact CB-CG2 3.81Å
222S98.6Very high97.8Very high0 Ų026.3 Ų26.30%016%0.157CC..Hα-helixtrans-65.6-40.1175.5-68.90000112.9L218 L219 V230 A247 T254L218-S222 PolarHBondContact O-N 3.16Å; L218-S222 VanDerWaalsContact O-N 3.16Å; L218-S222 PolarHBondContact O-OG 3.28Å; L219-S222 WeakPolarHBondContact O-CB 3.24Å; L219-S222 PolarHBondContact O-N 3.09Å; L219-S222 VanDerWaalsContact O-N 3.08Å; S222-V230 WeakPolarHBondContact OG-CG2 3.34Å; S222-A247 WeakPolarHBondContact CB-O 3.47Å; S222-A247 WeakPolarHBondContact OG-CA 3.44Å; S222-A247 PolarHBondContact OG-O 3.42Å; S222-T254 VanDerWaalsContact O-CB 3.31Å; S222-T254 WeakPolarHBondContact O-CB 3.39Å; S222-T254 PolarHBondContact O-OG1 2.92Å
223V98.2Very high97.9Very high12 Ų1223.4 Ų23.47%0.07313%0.127CC..Hα-helixtrans-64.5-45.3175.7170.80000111.4M215 L219 S220 G225 L250 T254 L330 D336M215-V223 HydrophobicContact CE-CB 4.39Å; M215-V223 HydrophobicContact CE-CG2 3.38Å; L219-V223 WeakPolarHBondContact O-CG2 3.47Å; L219-V223 PolarHBondContact O-N 2.84Å; S220-V223 PolarHBondContact O-N 3.39Å; V223-G225 VanDerWaalsContact C-N 3.34Å; V223-L250 HydrophobicContact CG2-CD2 3.79Å; V223-L250 HydrophobicContact CG2-CG 4.46Å; V223-T254 WeakPolarHBondContact O-CG2 3.38Å; V223-T254 PolarHBondContact O-OG1 3.48Å; V223-L330 HydrophobicContact CG2-CD1 4.01Å; V223-L330 HydrophobicContact CG2-CD2 3.89Å; V223-D336 HydrophobicContact CG1-CB 4.5Å; V223-D336 WeakPolarHBondContact CG1-OD2 3.38Å
224T97.2Very high98.1Very high30 Ų3019.1 Ų19.118%0.18411%0.111CC..Hα-helixtrans-77.7-21-178.251.70000113.1A190 E191 S220 A221 H226 K258A190-T224 PolarHBondContact O-OG1 3.39Å; E191-T224 HydrophobicContact CB-CG2 4.18Å; E191-T224 HydrophobicContact CG-CG2 4.08Å; S220-T224 WeakPolarHBondContact O-CG2 3.31Å; S220-T224 PolarHBondContact O-N 2.62Å; S220-T224 PolarHBondContact O-OG1 2.99Å; A221-T224 WeakPolarHBondContact CA-OG1 3.28Å; A221-T224 PolarHBondContact O-OG1 3.04Å; T224-H226 PolarHBondContact OG1-CD2 3.01Å; T224-K258 PolarHBondContact O-NZ 2.89Å
225G97.8Very high98.1Very high4 Ų424.4 Ų24.44%0.04113%0.126CC..THydrogen-bonded Turntrans90.321.5174.500000114.4A221 V223 T227 K259A221-G225 PolarHBondContact O-N 2.83Å; V223-G225 VanDerWaalsContact C-N 3.34Å; G225-T227 PolarHBondContact O-N 3.08Å; G225-K259 WeakPolarHBondContact O-CE 3.15Å; G225-K259 PolarHBondContact O-NZ 2.94Å
226H98.5Very high97.9Very high54 Ų5426.1 Ų26.125%0.2513%0.134CC..  trans-84.190-179-69.4-55.4000111.3A190 E191 G193 A221 T224 N228 I229 V230A190-H226 PolarHBondContact O-CD2 2.93Å; E191-H226 PolarHBondContact O-CD2 2.72Å; E191-H226 VanDerWaalsContact O-CD2 3.25Å; E191-H226 PolarHBondContact O-NE2 3.39Å; G193-H226 PolarHBondContact N-CD2 3.05Å; G193-H226 PolarHBondContact N-NE2 3.33Å; A221-H226 PolarHBondContact O-N 3.09Å; T224-H226 PolarHBondContact OG1-CD2 3.01Å; H226-N228 VanDerWaalsContact C-N 3.33Å; H226-N228 PolarHBondContact O-N 3.24Å; H226-I229 HydrophobicContact CB-CB 4.48Å; H226-I229 HydrophobicContact CB-CG1 4.19Å; H226-I229 PolarHBondContact O-N 3.07Å; H226-V230 PolarHBondContact O-N 3.31Å
227T98.4Very high97.7Very high40 Ų4031.7 Ų31.725%0.24517%0.168CC..Hα-helixtrans-64.2-35.6-172.3560000113.1G225 I229 V230 D231 L251 F255 Y268G225-T227 PolarHBondContact O-N 3.08Å; T227-I229 VanDerWaalsContact C-N 3.28Å; T227-I229 PolarHBondContact O-N 3.25Å; T227-V230 PolarHBondContact O-N 3.35Å; T227-D231 WeakPolarHBondContact O-CB 3.42Å; T227-D231 PolarHBondContact O-N 3.14Å; T227-L251 HydrophobicContact CG2-CD1 4.39Å; T227-L251 HydrophobicContact CG2-CD2 4.25Å; T227-F255 HydrophobicContact CG2-CE2 3.56Å; T227-F255 HydrophobicContact CG2-CZ 3.56Å; T227-Y268 VanDerWaalsContact CG2-OH 3.29Å; T227-Y268 WeakPolarHBondContact CG2-OH 3.42Å
228N98.4Very high97.3Very high63 Ų6336.9 Ų36.934%0.33719%0.192SC..Hα-helixtrans-58.4-39.1177.460.8-22.2000112.5G193 L195 H226 F232G193-N228 PolarHBondContact O-ND2 3Å; L195-N228 HydrophobicContact CD2-CB 4.34Å; H226-N228 VanDerWaalsContact C-N 3.33Å; H226-N228 PolarHBondContact O-N 3.24Å; N228-F232 WeakPolarHBondContact O-CB 3.34Å; N228-F232 PolarHBondContact O-N 2.87Å
229I98.6Very high97.2Very high0 Ų037.3 Ų37.30%020%0.195CC..Hα-helixtrans-72.3-45.9175.7-58-61.6000110.7A190 L195 M198 A221 H226 T227 D231 F232 L233A190-I229 HydrophobicContact CB-CG2 4.3Å; L195-I229 VanDerWaalsContact CA-CD1 3.49Å; L195-I229 HydrophobicContact CB-CD1 3.8Å; L195-I229 HydrophobicContact CD1-CD1 3.99Å; M198-I229 HydrophobicContact CE-CD1 3.99Å; M198-I229 HydrophobicContact CE-CG2 3.55Å; M198-I229 HydrophobicContact SD-CD1 3.99Å; M198-I229 HydrophobicContact SD-CG2 3.77Å; A221-I229 HydrophobicContact CB-CB 3.69Å; A221-I229 HydrophobicContact CB-CG2 3.44Å; A221-I229 VanDerWaalsContact CB-CG2 3.44Å; H226-I229 HydrophobicContact CB-CB 4.48Å; H226-I229 HydrophobicContact CB-CG1 4.19Å; H226-I229 PolarHBondContact O-N 3.07Å; T227-I229 VanDerWaalsContact C-N 3.28Å; T227-I229 PolarHBondContact O-N 3.25Å; I229-D231 PolarHBondContact O-N 3.14Å; I229-F232 PolarHBondContact O-N 2.97Å; I229-L233 HydrophobicContact CG2-CD1 3.7Å; I229-L233 HydrophobicContact CG2-CG 4.16Å; I229-L233 WeakPolarHBondContact O-CB 3.32Å; I229-L233 WeakPolarHBondContact O-CG 3.47Å; I229-L233 PolarHBondContact O-N 2.85Å
230V98.4Very high97.1Very high0 Ų038.4 Ų38.40%021%0.205CC..Hα-helixtrans-61.5-45.2179.5176.10000111.1L218 A221 S222 H226 T227 F232 L233 T234 L248 L251L218-V230 HydrophobicContact CD1-CB 4.47Å; L218-V230 HydrophobicContact CD1-CG1 4.24Å; L218-V230 HydrophobicContact CD1-CG2 4.47Å; A221-V230 HydrophobicContact CB-CG2 3.81Å; S222-V230 WeakPolarHBondContact OG-CG2 3.34Å; H226-V230 PolarHBondContact O-N 3.31Å; T227-V230 PolarHBondContact O-N 3.35Å; V230-F232 VanDerWaalsContact C-N 3.32Å; V230-F232 PolarHBondContact O-N 3.31Å; V230-L233 PolarHBondContact O-N 3.15Å; V230-T234 HydrophobicContact CG1-CG2 3.89Å; V230-T234 VanDerWaalsContact O-CB 3.27Å; V230-T234 WeakPolarHBondContact O-CB 3.29Å; V230-T234 WeakPolarHBondContact O-CG2 3.35Å; V230-T234 PolarHBondContact O-N 3.5Å; V230-T234 PolarHBondContact O-OG1 3Å; V230-L248 HydrophobicContact CG1-CD2 4.14Å; V230-L251 HydrophobicContact CB-CD2 4.01Å; V230-L251 HydrophobicContact CG1-CD2 3.8Å; V230-L251 HydrophobicContact CG2-CD1 4.49Å; V230-L251 HydrophobicContact CG2-CD2 4.13Å
231D97.9Very high96.9Very high52 Ų5241 Ų4128%0.27822%0.215SC..Hα-helixtrans-63.9-38.2179.2-75.5-34.6000112.1T227 I229 T234 Q235 R271T227-D231 WeakPolarHBondContact O-CB 3.42Å; T227-D231 PolarHBondContact O-N 3.14Å; I229-D231 PolarHBondContact O-N 3.14Å; D231-T234 PolarHBondContact O-OG1 3.41Å; D231-Q235 WeakPolarHBondContact O-CG 3.45Å; D231-Q235 PolarHBondContact O-NE2 3.26Å; D231-R271 IonicContact OD1-NH1 3.63Å; D231-R271 PolarHBondContact OD1-NH1 3.16Å
232F98.4Very high96.7Very high57 Ų5744.1 Ų44.125%0.2523%0.234CC..Hα-helixtrans-67.5-52.5174.6173.4-107.2000112.2L195 M198 K199 L202 N228 I229 V230 T234 Q235 H236L195-F232 HydrophobicContact CD1-CB 3.64Å; L195-F232 HydrophobicContact CD1-CD1 3.71Å; L195-F232 HydrophobicContact CD1-CD2 4.28Å; L195-F232 HydrophobicContact CD1-CE1 4.46Å; L195-F232 HydrophobicContact CD1-CG 3.6Å; M198-F232 HydrophobicContact CG-CE1 4.49Å; M198-F232 HydrophobicContact SD-CD1 4.19Å; M198-F232 HydrophobicContact SD-CE1 4.38Å; K199-F232 HydrophobicContact CG-CE1 4.36Å; K199-F232 HydrophobicContact CG-CE2 4.14Å; K199-F232 HydrophobicContact CG-CZ 3.9Å; L202-F232 HydrophobicContact CD1-CE1 3.65Å; L202-F232 HydrophobicContact CD1-CZ 3.99Å; N228-F232 WeakPolarHBondContact O-CB 3.34Å; N228-F232 PolarHBondContact O-N 2.87Å; I229-F232 PolarHBondContact O-N 2.97Å; V230-F232 VanDerWaalsContact C-N 3.32Å; V230-F232 PolarHBondContact O-N 3.31Å; F232-T234 VanDerWaalsContact C-N 3.34Å; F232-T234 PolarHBondContact O-N 3.32Å; F232-Q235 PolarHBondContact O-N 3.43Å; F232-H236 PolarHBondContact O-N 3.41Å
233L97.9Very high96.6Very high1 Ų147.1 Ų47.11%0.00525%0.248CC..Hα-helixtrans-71.6-26.6-175.2-71-176.8000113.1M198 M208 P217 L218 I229 V230 Q235 H236 T239M198-L233 HydrophobicContact CE-CD1 4.14Å; M198-L233 HydrophobicContact SD-CD1 3.84Å; M198-L233 HydrophobicContact SD-CD2 3.88Å; M198-L233 HydrophobicContact SD-CG 3.88Å; M208-L233 HydrophobicContact CE-CD2 4.34Å; M208-L233 HydrophobicContact SD-CD1 4.32Å; M208-L233 HydrophobicContact SD-CD2 3.72Å; P217-L233 HydrophobicContact CB-CD1 4.41Å; L218-L233 HydrophobicContact CB-CB 4.29Å; L218-L233 HydrophobicContact CB-CD1 3.93Å; L218-L233 HydrophobicContact CD1-CB 3.69Å; L218-L233 HydrophobicContact CD1-CD1 4.45Å; L218-L233 HydrophobicContact CG-CB 4.45Å; I229-L233 HydrophobicContact CG2-CD1 3.7Å; I229-L233 HydrophobicContact CG2-CG 4.16Å; I229-L233 WeakPolarHBondContact O-CB 3.32Å; I229-L233 WeakPolarHBondContact O-CG 3.47Å; I229-L233 PolarHBondContact O-N 2.85Å; V230-L233 PolarHBondContact O-N 3.15Å; L233-Q235 PolarHBondContact O-N 3.11Å; L233-H236 HydrophobicContact CD2-CB 4.42Å; L233-H236 WeakPolarHBondContact O-CB 3.47Å; L233-H236 PolarHBondContact O-N 3.34Å; L233-H236 VanDerWaalsContact O-N 3.16Å; L233-T239 VanDerWaalsContact O-CG2 3.27Å; L233-T239 WeakPolarHBondContact O-CG2 3.47Å; L233-T239 PolarHBondContact O-OG1 2.77Å
234T96.9Very high96.6Very high5 Ų549.3 Ų49.33%0.03126%0.255CS..THydrogen-bonded Turntrans-70.5-15.1174.353.70000113.7L218 V230 D231 F232 R244 L248 R271L218-T234 HydrophobicContact CD1-CG2 4.05Å; V230-T234 HydrophobicContact CG1-CG2 3.89Å; V230-T234 VanDerWaalsContact O-CB 3.27Å; V230-T234 WeakPolarHBondContact O-CB 3.29Å; V230-T234 WeakPolarHBondContact O-CG2 3.35Å; V230-T234 PolarHBondContact O-N 3.5Å; V230-T234 PolarHBondContact O-OG1 3Å; D231-T234 PolarHBondContact O-OG1 3.41Å; F232-T234 VanDerWaalsContact C-N 3.34Å; F232-T234 PolarHBondContact O-N 3.32Å; T234-R244 HydrophobicContact CG2-CB 4.24Å; T234-R244 HydrophobicContact CG2-CG 4.34Å; T234-R244 WeakPolarHBondContact O-CD 3.46Å; T234-R244 VanDerWaalsContact O-CZ 3.29Å; T234-R244 PolarHBondContact O-NE 3.06Å; T234-R244 VanDerWaalsContact O-NE 3.08Å; T234-R244 PolarHBondContact O-NH1 2.94Å; T234-L248 HydrophobicContact CG2-CD2 4.35Å; T234-L248 HydrophobicContact CG2-CG 4.26Å; T234-R271 PolarHBondContact OG1-NH2 3.23Å
235Q95.6Very high96.6Very high144 Ų14448 Ų4867%0.67325%0.247SC*.THydrogen-bonded Turntrans-99.8-10.1173.1-61.3175.229.500112D231 F232 L233D231-Q235 WeakPolarHBondContact O-CG 3.45Å; D231-Q235 PolarHBondContact O-NE2 3.26Å; F232-Q235 PolarHBondContact O-N 3.43Å; L233-Q235 PolarHBondContact O-N 3.11Å
236H95.3Very high96.6Very high42 Ų4250.1 Ų50.119%0.19426%0.257CS..SBendtrans-76.1139.3-175-166-96.2000112.6M208 F232 L233 Q238 T239 R244M208-H236 WeakPolarHBondContact CE-ND1 3.46Å; F232-H236 PolarHBondContact O-N 3.41Å; L233-H236 HydrophobicContact CD2-CB 4.42Å; L233-H236 WeakPolarHBondContact O-CB 3.47Å; L233-H236 PolarHBondContact O-N 3.34Å; L233-H236 VanDerWaalsContact O-N 3.16Å; H236-Q238 VanDerWaalsContact C-N 3.27Å; H236-Q238 PolarHBondContact ND1-N 2.94Å; H236-Q238 PolarHBondContact O-N 3.31Å; H236-T239 PolarHBondContact O-N 3.35Å; H236-T239 VanDerWaalsContact O-N 3.17Å; H236-T239 PolarHBondContact O-OG1 3.46Å; H236-R244 PolarHBondContact O-NH2 3.05Å
237V93.1Very high96.6Very high131 Ų13147.5 Ų47.579%0.79425%0.245SC*.THydrogen-bonded Turntrans-63.1-27.6-172.6-64.40000114.6T239V237-T239 VanDerWaalsContact C-N 3.28Å; V237-T239 PolarHBondContact O-N 3.5Å
238Q91Very high96.6Very high110 Ų11045.6 Ų45.651%0.51423%0.234SC..THydrogen-bonded Turntrans-76.7-9.9-179.8-71.1178.7-13.200113.8M208 H236M208-Q238 HydrophobicContact CE-CB 3.38Å; M208-Q238 HydrophobicContact CE-CG 4.27Å; H236-Q238 VanDerWaalsContact C-N 3.27Å; H236-Q238 PolarHBondContact ND1-N 2.94Å; H236-Q238 PolarHBondContact O-N 3.31Å
239T95.6Very high96.6Very high9 Ų942.8 Ų42.86%0.05522%0.219CC..SBendtrans-97130.317963.20000110.8M208 L218 L233 H236 V237 R244M208-T239 HydrophobicContact CE-CG2 4.05Å; M208-T239 HydrophobicContact SD-CG2 4.4Å; L218-T239 HydrophobicContact CD2-CG2 4.09Å; L233-T239 VanDerWaalsContact O-CG2 3.27Å; L233-T239 WeakPolarHBondContact O-CG2 3.47Å; L233-T239 PolarHBondContact O-OG1 2.77Å; H236-T239 PolarHBondContact O-N 3.35Å; H236-T239 VanDerWaalsContact O-N 3.17Å; H236-T239 PolarHBondContact O-OG1 3.46Å; V237-T239 VanDerWaalsContact C-N 3.28Å; V237-T239 PolarHBondContact O-N 3.5Å; T239-R244 VanDerWaalsContact O-CZ 3.31Å; T239-R244 PolarHBondContact O-NE 3.25Å; T239-R244 PolarHBondContact O-NH2 3.27Å; T239-R244 PolarHBondContact OG1-NE 2.91Å
240S95.6Very high96.6Very high48 Ų4842.8 Ų42.834%0.33622%0.219SC..  trans-76.3160.6178.865.60000112.4T242 E243 R244S240-T242 VanDerWaalsContact C-N 3.27Å; S240-T242 PolarHBondContact O-N 3.08Å; S240-T242 PolarHBondContact OG-OG1 3Å; S240-E243 WeakPolarHBondContact CB-OE2 3.47Å; S240-E243 PolarHBondContact N-OE2 2.84Å; S240-E243 PolarHBondContact O-N 2.84Å; S240-E243 WeakPolarHBondContact OG-CB 3.28Å; S240-E243 VanDerWaalsContact OG-CD 3.23Å; S240-E243 WeakPolarHBondContact OG-CG 3.39Å; S240-E243 PolarHBondContact OG-N 3.26Å; S240-E243 PolarHBondContact OG-OE2 3.33Å; S240-R244 WeakPolarHBondContact O-CG 3.16Å; S240-R244 PolarHBondContact O-N 3.44Å
241K94.9Very high96.6Very high60 Ų6042.8 Ų42.826%0.26122%0.219SC..Hα-helixtrans-56-41178.1-170.7178.9-177.7-177.60112.2R244 I245 M275 S278 L284K241-R244 PolarHBondContact O-N 3.41Å; K241-I245 HydrophobicContact CG-CD1 4.09Å; K241-I245 WeakPolarHBondContact O-CD1 3.5Å; K241-I245 VanDerWaalsContact O-CG1 3.29Å; K241-I245 WeakPolarHBondContact O-CG1 3.12Å; K241-I245 PolarHBondContact O-N 3Å; K241-I245 VanDerWaalsContact O-N 3.14Å; K241-M275 WeakPolarHBondContact CE-O 3.23Å; K241-M275 PolarHBondContact NZ-O 2.82Å; K241-S278 WeakPolarHBondContact CE-OG 3.39Å; K241-S278 PolarHBondContact NZ-OG 3.37Å; K241-L284 HydrophobicContact CB-CD1 4.49Å; K241-L284 HydrophobicContact CD-CD1 4.01Å; K241-L284 HydrophobicContact CG-CD1 4.03Å
242T95.3Very high96.6Very high65 Ų6540.3 Ų40.340%0.39921%0.205SC..Hα-helixtrans-67.1-43.5179.247.30000112.4S240 R244 I245 N246 L284S240-T242 VanDerWaalsContact C-N 3.27Å; S240-T242 PolarHBondContact O-N 3.08Å; S240-T242 PolarHBondContact OG-OG1 3Å; T242-R244 VanDerWaalsContact C-N 3.33Å; T242-R244 PolarHBondContact O-N 3.23Å; T242-I245 PolarHBondContact O-N 3.27Å; T242-N246 PolarHBondContact O-N 2.93Å; T242-L284 HydrophobicContact CG2-CD1 3.74Å; T242-L284 HydrophobicContact CG2-CD2 3.94Å; T242-L284 HydrophobicContact CG2-CG 4.46Å
243E96.2Very high96.6Very high63 Ų6337.6 Ų37.629%0.29419%0.193SC..Hα-helixtrans-62.3-40.9176.3-73166.9138.800111.8L218 S240 N246 A247L218-E243 HydrophobicContact CD2-CB 4.45Å; S240-E243 WeakPolarHBondContact CB-OE2 3.47Å; S240-E243 PolarHBondContact N-OE2 2.84Å; S240-E243 PolarHBondContact O-N 2.84Å; S240-E243 WeakPolarHBondContact OG-CB 3.28Å; S240-E243 VanDerWaalsContact OG-CD 3.23Å; S240-E243 WeakPolarHBondContact OG-CG 3.39Å; S240-E243 PolarHBondContact OG-N 3.26Å; S240-E243 PolarHBondContact OG-OE2 3.33Å; E243-N246 PolarHBondContact O-N 2.85Å; E243-A247 WeakPolarHBondContact O-CB 3.3Å; E243-A247 PolarHBondContact O-N 3.42Å
244R97.6Very high96.6Very high58 Ų5837.6 Ų37.622%0.21919%0.193CC..Hα-helixtrans-61.9-45.3176.9-64.3169.2-175.4-170.14.5111.8T234 H236 T239 S240 K241 T242 A247 L248 M275T234-R244 HydrophobicContact CG2-CB 4.24Å; T234-R244 HydrophobicContact CG2-CG 4.34Å; T234-R244 WeakPolarHBondContact O-CD 3.46Å; T234-R244 VanDerWaalsContact O-CZ 3.29Å; T234-R244 PolarHBondContact O-NE 3.06Å; T234-R244 VanDerWaalsContact O-NE 3.08Å; T234-R244 PolarHBondContact O-NH1 2.94Å; H236-R244 PolarHBondContact O-NH2 3.05Å; T239-R244 VanDerWaalsContact O-CZ 3.31Å; T239-R244 PolarHBondContact O-NE 3.25Å; T239-R244 PolarHBondContact O-NH2 3.27Å; T239-R244 PolarHBondContact OG1-NE 2.91Å; S240-R244 WeakPolarHBondContact O-CG 3.16Å; S240-R244 PolarHBondContact O-N 3.44Å; K241-R244 PolarHBondContact O-N 3.41Å; T242-R244 VanDerWaalsContact C-N 3.33Å; T242-R244 PolarHBondContact O-N 3.23Å; R244-A247 PolarHBondContact O-N 3.07Å; R244-L248 VanDerWaalsContact O-CG 3.28Å; R244-L248 WeakPolarHBondContact O-CG 3.38Å; R244-L248 PolarHBondContact O-N 2.89Å; R244-M275 HydrophobicContact CB-CE 3.77Å
245I97.5Very high96.7Very high1 Ų138 Ų381%0.00520%0.195CC..Hα-helixtrans-61.9-51.8178.2-70.6162.8000110.3K241 T242 A247 L248 E249 A272 M275 R276 L284K241-I245 HydrophobicContact CG-CD1 4.09Å; K241-I245 WeakPolarHBondContact O-CD1 3.5Å; K241-I245 VanDerWaalsContact O-CG1 3.29Å; K241-I245 WeakPolarHBondContact O-CG1 3.12Å; K241-I245 PolarHBondContact O-N 3Å; K241-I245 VanDerWaalsContact O-N 3.14Å; T242-I245 PolarHBondContact O-N 3.27Å; I245-A247 VanDerWaalsContact C-N 3.3Å; I245-A247 PolarHBondContact O-N 3.12Å; I245-L248 PolarHBondContact O-N 3.18Å; I245-E249 WeakPolarHBondContact O-CG 3.19Å; I245-E249 PolarHBondContact O-N 2.74Å; I245-A272 HydrophobicContact CG2-CB 4.33Å; I245-M275 HydrophobicContact CD1-CB 4.05Å; I245-M275 HydrophobicContact CG1-CB 3.7Å; I245-M275 HydrophobicContact CG1-CE 4.33Å; I245-R276 HydrophobicContact CD1-CG 3.9Å; I245-R276 HydrophobicContact CG1-CG 4.44Å; I245-R276 HydrophobicContact CG2-CG 3.77Å; I245-L284 HydrophobicContact CD1-CD1 3.63Å
246N97.8Very high96.8Very high49 Ų4931.3 Ų31.326%0.26216%0.164SC..Hα-helixtrans-60.7-40.7179-72.2-21000111.4T242 E243 L248 E249 L250 R328 I329T242-N246 PolarHBondContact O-N 2.93Å; E243-N246 PolarHBondContact O-N 2.85Å; N246-L248 PolarHBondContact O-N 3.36Å; N246-E249 PolarHBondContact O-N 2.59Å; N246-L250 VanDerWaalsContact O-CB 3.25Å; N246-L250 WeakPolarHBondContact O-CB 3.44Å; N246-L250 PolarHBondContact O-N 3.44Å; N246-R328 PolarHBondContact OD1-NH1 2.91Å; N246-I329 HydrophobicContact CB-CD1 3.98Å; N246-I329 HydrophobicContact CB-CG1 4.3Å; N246-I329 HydrophobicContact CB-CG2 4.4Å; N246-I329 VanDerWaalsContact O-CD1 3.29Å; N246-I329 WeakPolarHBondContact O-CD1 3.5Å
247A98.4Very high96.8Very high0 Ų029.4 Ų29.40%016%0.155CC..Hα-helixtrans-62.6-40.9177.300000112.8L218 L219 S222 E243 R244 I245 L251L218-A247 HydrophobicContact CD1-CB 3.75Å; L218-A247 HydrophobicContact CD2-CB 3.62Å; L218-A247 HydrophobicContact CG-CB 3.48Å; L218-A247 VanDerWaalsContact CG-CB 3.48Å; L219-A247 HydrophobicContact CD2-CB 4.33Å; S222-A247 WeakPolarHBondContact CB-O 3.47Å; S222-A247 WeakPolarHBondContact OG-CA 3.44Å; S222-A247 PolarHBondContact OG-O 3.42Å; E243-A247 WeakPolarHBondContact O-CB 3.3Å; E243-A247 PolarHBondContact O-N 3.42Å; R244-A247 PolarHBondContact O-N 3.07Å; I245-A247 VanDerWaalsContact C-N 3.3Å; I245-A247 PolarHBondContact O-N 3.12Å; A247-L251 VanDerWaalsContact O-CB 3.23Å; A247-L251 WeakPolarHBondContact O-CB 3.22Å; A247-L251 PolarHBondContact O-N 3Å
248L98.4Very high97Very high0 Ų028.3 Ų28.30%014%0.139CC..Hα-helixtrans-69-41.4176.4-69.4169.4000111.9V230 T234 R244 I245 N246 L251 G252 Y268 R271 A272 M275V230-L248 HydrophobicContact CG1-CD2 4.14Å; T234-L248 HydrophobicContact CG2-CD2 4.35Å; T234-L248 HydrophobicContact CG2-CG 4.26Å; R244-L248 VanDerWaalsContact O-CG 3.28Å; R244-L248 WeakPolarHBondContact O-CG 3.38Å; R244-L248 PolarHBondContact O-N 2.89Å; I245-L248 PolarHBondContact O-N 3.18Å; N246-L248 PolarHBondContact O-N 3.36Å; L248-L251 PolarHBondContact O-N 3.26Å; L248-G252 PolarHBondContact O-N 3.35Å; L248-Y268 HydrophobicContact CD2-CD1 3.85Å; L248-R271 HydrophobicContact CD1-CG 4.05Å; L248-A272 HydrophobicContact CB-CB 3.91Å; L248-M275 HydrophobicContact CD1-SD 3.63Å
249E98.4Very high97.2Very high4 Ų427.5 Ų27.52%0.01913%0.134CC..Hα-helixtrans-61.2-48175.6-71.9175.3163.500111.5I245 N246 G252 A253 W269 A272 R276 K286 I325 R328 I329I245-E249 WeakPolarHBondContact O-CG 3.19Å; I245-E249 PolarHBondContact O-N 2.74Å; N246-E249 PolarHBondContact O-N 2.59Å; E249-G252 PolarHBondContact O-N 3.4Å; E249-A253 PolarHBondContact O-N 3.45Å; E249-W269 PolarHBondContact O-NE1 2.81Å; E249-A272 HydrophobicContact CG-CB 3.69Å; E249-R276 VanDerWaalsContact CD-NH2 3.27Å; E249-R276 IonicContact OE1-CZ 2.76Å; E249-R276 VanDerWaalsContact OE1-CZ 3.25Å; E249-R276 IonicContact OE1-NE 2.92Å; E249-R276 PolarHBondContact OE1-NE 3.26Å; E249-R276 IonicContact OE1-NH2 3.93Å; E249-R276 PolarHBondContact OE1-NH2 2.95Å; E249-R276 IonicContact OE2-CZ 3.46Å; E249-R276 IonicContact OE2-NH2 3.18Å; E249-R276 PolarHBondContact OE2-NH2 3.08Å; E249-K286 WeakPolarHBondContact OE1-CE 3.33Å; E249-I325 HydrophobicContact CB-CG2 3.91Å; E249-R328 IonicContact OE2-CZ 3.89Å; E249-R328 IonicContact OE2-NH1 2.74Å; E249-R328 PolarHBondContact OE2-NH1 3Å; E249-R328 IonicContact OE2-NH2 3.4Å; E249-R328 PolarHBondContact OE2-NH2 3.41Å; E249-I329 HydrophobicContact CB-CD1 4.14Å
250L98.6Very high97.1Very high0 Ų035.9 Ų35.90%017%0.165CC..Hα-helixtrans-64.3-39.9177.4-177.562.6000112L219 V223 N246 G252 A253 T254 R326 I329 L330L219-L250 HydrophobicContact CD2-CD2 3.95Å; V223-L250 HydrophobicContact CG2-CD2 3.79Å; V223-L250 HydrophobicContact CG2-CG 4.46Å; N246-L250 VanDerWaalsContact O-CB 3.25Å; N246-L250 WeakPolarHBondContact O-CB 3.44Å; N246-L250 PolarHBondContact O-N 3.44Å; L250-G252 VanDerWaalsContact C-N 3.29Å; L250-G252 PolarHBondContact O-N 3.19Å; L250-A253 WeakPolarHBondContact O-CB 3.5Å; L250-A253 PolarHBondContact O-N 3.49Å; L250-T254 PolarHBondContact O-N 3.12Å; L250-T254 PolarHBondContact O-OG1 3.43Å; L250-R326 HydrophobicContact CD1-CB 4.42Å; L250-R326 HydrophobicContact CD1-CG 4.32Å; L250-I329 HydrophobicContact CB-CD1 3.92Å; L250-I329 HydrophobicContact CB-CG2 4.47Å; L250-I329 HydrophobicContact CD2-CG2 3.99Å; L250-L330 HydrophobicContact CD1-CD1 4.31Å; L250-L330 HydrophobicContact CD1-CD2 4.36Å; L250-L330 HydrophobicContact CD1-CG 4.13Å; L250-L330 HydrophobicContact CD2-CD2 3.72Å; L250-L330 HydrophobicContact CD2-CG 4.38Å
251L98.6Very high97.2Very high0 Ų036.5 Ų36.50%016%0.164CC..Hα-helixtrans-60.7-42.4173.6179.363.8000110.5T227 V230 A247 L248 A253 T254 F255 Y268T227-L251 HydrophobicContact CG2-CD1 4.39Å; T227-L251 HydrophobicContact CG2-CD2 4.25Å; V230-L251 HydrophobicContact CB-CD2 4.01Å; V230-L251 HydrophobicContact CG1-CD2 3.8Å; V230-L251 HydrophobicContact CG2-CD1 4.49Å; V230-L251 HydrophobicContact CG2-CD2 4.13Å; A247-L251 VanDerWaalsContact O-CB 3.23Å; A247-L251 WeakPolarHBondContact O-CB 3.22Å; A247-L251 PolarHBondContact O-N 3Å; L248-L251 PolarHBondContact O-N 3.26Å; L251-A253 VanDerWaalsContact C-N 3.35Å; L251-A253 PolarHBondContact O-N 2.85Å; L251-T254 WeakPolarHBondContact O-CB 3.45Å; L251-T254 PolarHBondContact O-N 3.03Å; L251-T254 VanDerWaalsContact O-N 3.15Å; L251-F255 HydrophobicContact CD1-CD2 3.98Å; L251-F255 HydrophobicContact CD1-CE2 3.79Å; L251-F255 HydrophobicContact CG-CD2 4.08Å; L251-F255 HydrophobicContact CG-CE2 4.03Å; L251-F255 VanDerWaalsContact O-CD2 3.32Å; L251-F255 WeakPolarHBondContact O-CD2 3.47Å; L251-F255 PolarHBondContact O-N 2.76Å; L251-Y268 HydrophobicContact CD2-CD1 3.85Å; L251-Y268 HydrophobicContact CD2-CD2 4.08Å; L251-Y268 HydrophobicContact CD2-CE1 3.63Å; L251-Y268 HydrophobicContact CD2-CE2 3.9Å; L251-Y268 HydrophobicContact CD2-CG 4.07Å; L251-Y268 HydrophobicContact CG-CD2 4.17Å; L251-Y268 HydrophobicContact CG-CE2 4.23Å; L251-Y268 HydrophobicContact CG-CG 4.4Å
252G98.2Very high97.2Very high0 Ų036 Ų360%016%0.164CC..Hα-helixtrans-59.6-43.5173.500000112.4L248 E249 L250 T254 F255 V256 A265L248-G252 PolarHBondContact O-N 3.35Å; E249-G252 PolarHBondContact O-N 3.4Å; L250-G252 VanDerWaalsContact C-N 3.29Å; L250-G252 PolarHBondContact O-N 3.19Å; G252-T254 VanDerWaalsContact C-N 3.31Å; G252-T254 PolarHBondContact O-N 3.44Å; G252-F255 WeakPolarHBondContact O-CB 3.5Å; G252-F255 PolarHBondContact O-N 3.13Å; G252-F255 VanDerWaalsContact O-N 3.08Å; G252-V256 PolarHBondContact O-N 3.42Å; G252-A265 WeakPolarHBondContact O-CB 3.29Å
253A98.3Very high97.1Very high0 Ų038.6 Ų38.60%018%0.175CC..Hα-helixtrans-61.2-37.8173.500000112.5E249 L250 L251 F255 V256 D257 A322 I325 R326E249-A253 PolarHBondContact O-N 3.45Å; L250-A253 WeakPolarHBondContact O-CB 3.5Å; L250-A253 PolarHBondContact O-N 3.49Å; L251-A253 VanDerWaalsContact C-N 3.35Å; L251-A253 PolarHBondContact O-N 2.85Å; A253-F255 VanDerWaalsContact C-N 3.33Å; A253-V256 PolarHBondContact O-N 3.24Å; A253-D257 PolarHBondContact O-N 2.97Å; A253-D257 VanDerWaalsContact O-N 3.09Å; A253-A322 HydrophobicContact CB-CB 3.89Å; A253-I325 HydrophobicContact CB-CB 4.34Å; A253-I325 HydrophobicContact CB-CG2 4.09Å; A253-R326 PolarHBondContact O-NH2 3.12Å; A253-R326 VanDerWaalsContact O-NH2 3.1Å
254T98.4Very high97.1Very high0 Ų036.1 Ų36.10%017%0.166CC..Hα-helixtrans-65.6-35.6173.2-61.40000111.9S222 V223 L250 L251 G252 K258 K259S222-T254 VanDerWaalsContact O-CB 3.31Å; S222-T254 WeakPolarHBondContact O-CB 3.39Å; S222-T254 PolarHBondContact O-OG1 2.92Å; V223-T254 WeakPolarHBondContact O-CG2 3.38Å; V223-T254 PolarHBondContact O-OG1 3.48Å; L250-T254 PolarHBondContact O-N 3.12Å; L250-T254 PolarHBondContact O-OG1 3.43Å; L251-T254 WeakPolarHBondContact O-CB 3.45Å; L251-T254 PolarHBondContact O-N 3.03Å; L251-T254 VanDerWaalsContact O-N 3.15Å; G252-T254 VanDerWaalsContact C-N 3.31Å; G252-T254 PolarHBondContact O-N 3.44Å; T254-K258 HydrophobicContact CG2-CB 3.94Å; T254-K258 HydrophobicContact CG2-CD 4.1Å; T254-K258 WeakPolarHBondContact O-CA 3.41Å; T254-K258 VanDerWaalsContact O-CB 3.23Å; T254-K258 WeakPolarHBondContact O-CB 3.2Å; T254-K258 PolarHBondContact O-N 3.31Å; T254-K259 PolarHBondContact O-N 3.16Å
255F98.1Very high97.1Very high15 Ų1533.4 Ų33.47%0.06616%0.156CC..Iπ-helixtrans-63.9-40174-94.4-111.5000112.1T227 L251 G252 A253 K259 R260 D261 A265 Y268T227-F255 HydrophobicContact CG2-CE2 3.56Å; T227-F255 HydrophobicContact CG2-CZ 3.56Å; L251-F255 HydrophobicContact CD1-CD2 3.98Å; L251-F255 HydrophobicContact CD1-CE2 3.79Å; L251-F255 HydrophobicContact CG-CD2 4.08Å; L251-F255 HydrophobicContact CG-CE2 4.03Å; L251-F255 VanDerWaalsContact O-CD2 3.32Å; L251-F255 WeakPolarHBondContact O-CD2 3.47Å; L251-F255 PolarHBondContact O-N 2.76Å; G252-F255 WeakPolarHBondContact O-CB 3.5Å; G252-F255 PolarHBondContact O-N 3.13Å; G252-F255 VanDerWaalsContact O-N 3.08Å; A253-F255 VanDerWaalsContact C-N 3.33Å; F255-K259 HydrophobicContact CD1-CD 4.04Å; F255-K259 HydrophobicContact CD2-CD 3.97Å; F255-K259 HydrophobicContact CE1-CD 3.85Å; F255-K259 HydrophobicContact CE2-CD 3.8Å; F255-K259 HydrophobicContact CG-CD 4.1Å; F255-K259 HydrophobicContact CZ-CD 3.73Å; F255-K259 CarbonylContact O-C 3.52Å; F255-K259 PolarHBondContact O-N 3.12Å; F255-R260 PolarHBondContact O-N 3Å; F255-D261 HydrophobicContact CD1-CB 3.95Å; F255-D261 WeakPolarHBondContact CD1-OD2 3.44Å; F255-D261 PolarHBondContact O-N 2.9Å; F255-A265 HydrophobicContact CB-CB 3.83Å; F255-Y268 HydrophobicContact CD1-CE2 4.41Å; F255-Y268 HydrophobicContact CD2-CD2 4.27Å; F255-Y268 HydrophobicContact CD2-CE2 4.01Å; F255-Y268 HydrophobicContact CE1-CE2 4.05Å; F255-Y268 HydrophobicContact CE2-CD2 4.29Å; F255-Y268 AromaticContact CE2-CE2 3.59Å; F255-Y268 HydrophobicContact CE2-CE2 3.59Å; F255-Y268 HydrophobicContact CG-CE2 4.4Å; F255-Y268 AromaticContact CZ-CE2 3.62Å; F255-Y268 HydrophobicContact CZ-CE2 3.62Å
256V97.4Very high97Very high3 Ų334 Ų342%0.01816%0.159CC..Iπ-helixtrans-63.7-51.6175.2176.30000111.9G252 A253 L262 A265 W269 R319 A322G252-V256 PolarHBondContact O-N 3.42Å; A253-V256 PolarHBondContact O-N 3.24Å; V256-L262 HydrophobicContact CB-CD2 4.35Å; V256-L262 HydrophobicContact CG1-CD2 3.94Å; V256-L262 HydrophobicContact CG2-CD2 4.02Å; V256-A265 HydrophobicContact CG2-CB 3.45Å; V256-A265 VanDerWaalsContact CG2-CB 3.45Å; V256-W269 HydrophobicContact CG2-CH2 3.71Å; V256-W269 HydrophobicContact CG2-CZ2 4Å; V256-R319 HydrophobicContact CG1-CG 4.21Å; V256-A322 HydrophobicContact CB-CB 3.82Å; V256-A322 HydrophobicContact CG1-CB 3.85Å; V256-A322 HydrophobicContact CG2-CB 4.2Å
257D96.3Very high96.9Very high1 Ų138.5 Ų38.51%0.00518%0.177CC..Iπ-helixtrans-87.9-44.3-169.5-63.3-51.9000113.6A253 A322 R326 Y340 Y343 R344A253-D257 PolarHBondContact O-N 2.97Å; A253-D257 VanDerWaalsContact O-N 3.09Å; D257-A322 WeakPolarHBondContact OD2-CB 3.31Å; D257-R326 IonicContact OD2-CZ 3.69Å; D257-R326 IonicContact OD2-NH1 2.58Å; D257-R326 PolarHBondContact OD2-NH1 2.85Å; D257-R326 IonicContact OD2-NH2 2.7Å; D257-R326 PolarHBondContact OD2-NH2 3.16Å; D257-Y340 HydrophobicContact CB-CD1 3.39Å; D257-Y340 HydrophobicContact CB-CE1 3.62Å; D257-Y340 HydrophobicContact CB-CG 4.16Å; D257-Y343 WeakPolarHBondContact O-CE1 3.48Å; D257-R344 IonicContact OD1-CZ 2.84Å; D257-R344 IonicContact OD1-NE 3.9Å; D257-R344 IonicContact OD1-NH2 3.91Å; D257-R344 PolarHBondContact OD1-NH2 3.4Å
258K95.6Very high96.9Very high109 Ų10939.4 Ų39.447%0.47418%0.18SC..Iπ-helixtrans-88.3-47.2-175.1-169.4178.3-180177.20112.3T224 T254 Y340T224-K258 PolarHBondContact O-NZ 2.89Å; T254-K258 HydrophobicContact CG2-CB 3.94Å; T254-K258 HydrophobicContact CG2-CD 4.1Å; T254-K258 WeakPolarHBondContact O-CA 3.41Å; T254-K258 VanDerWaalsContact O-CB 3.23Å; T254-K258 WeakPolarHBondContact O-CB 3.2Å; T254-K258 PolarHBondContact O-N 3.31Å; K258-Y340 HydrophobicContact CB-CE1 4.34Å
259K95.2Very high96.8Very high93 Ų9339.8 Ų39.840%0.40418%0.181SC..Iπ-helixtrans-88.9-14.2-176.6-58-167.2179.9-175.60113.7G225 T254 F255 D261G225-K259 WeakPolarHBondContact O-CE 3.15Å; G225-K259 PolarHBondContact O-NZ 2.94Å; T254-K259 PolarHBondContact O-N 3.16Å; F255-K259 HydrophobicContact CD1-CD 4.04Å; F255-K259 HydrophobicContact CD2-CD 3.97Å; F255-K259 HydrophobicContact CE1-CD 3.85Å; F255-K259 HydrophobicContact CE2-CD 3.8Å; F255-K259 HydrophobicContact CG-CD 4.1Å; F255-K259 HydrophobicContact CZ-CD 3.73Å; F255-K259 CarbonylContact O-C 3.52Å; F255-K259 PolarHBondContact O-N 3.12Å; K259-D261 HydrophobicContact CB-CB 4.29Å; K259-D261 PolarHBondContact O-N 3.05Å
260R95.1Very high96.7Very high184 Ų18442.7 Ų42.769%0.69419%0.194SC*.  trans53.332.6-174-53.4-178.8-176.7-178.74.5112.6F255 Y343F255-R260 PolarHBondContact O-N 3Å; R260-Y343 VanDerWaalsContact CZ-OH 3.31Å; R260-Y343 PolarHBondContact NE-OH 3.17Å; R260-Y343 PolarHBondContact NH2-OH 3.24Å
261D96.3Very high96.6Very high61 Ų6146.1 Ų46.133%0.32621%0.207SC..  trans-112.894.6-178.8175.412.9000109.9F255 K259 L263 G264 A265F255-D261 HydrophobicContact CD1-CB 3.95Å; F255-D261 WeakPolarHBondContact CD1-OD2 3.44Å; F255-D261 PolarHBondContact O-N 2.9Å; K259-D261 HydrophobicContact CB-CB 4.29Å; K259-D261 PolarHBondContact O-N 3.05Å; D261-L263 PolarHBondContact OD1-N 3.31Å; D261-G264 PolarHBondContact OD1-N 3.26Å; D261-G264 WeakPolarHBondContact OD2-CA 3.38Å; D261-A265 PolarHBondContact O-N 3.19Å; D261-A265 VanDerWaalsContact O-N 3.12Å
262L95.1Very high96.5Very high51 Ų5146.1 Ų46.127%0.26721%0.207SC..Hα-helixtrans-70.4-36.5-179.1-60.9-178.7000112.1V256 A265 L266 P315 M318V256-L262 HydrophobicContact CB-CD2 4.35Å; V256-L262 HydrophobicContact CG1-CD2 3.94Å; V256-L262 HydrophobicContact CG2-CD2 4.02Å; L262-A265 WeakPolarHBondContact O-CB 3.39Å; L262-A265 PolarHBondContact O-N 3.12Å; L262-L266 PolarHBondContact O-N 3.38Å; L262-P315 HydrophobicContact CD1-CB 3.93Å; L262-P315 HydrophobicContact CD1-CG 4.45Å; L262-M318 HydrophobicContact CB-CE 3.98Å; L262-M318 HydrophobicContact CB-SD 3.85Å; L262-M318 HydrophobicContact CD1-SD 4.21Å; L262-M318 HydrophobicContact CD2-CB 4.22Å; L262-M318 HydrophobicContact CD2-CE 4.26Å; L262-M318 HydrophobicContact CD2-SD 4.1Å; L262-M318 HydrophobicContact CG-SD 4.26Å; L262-M318 WeakPolarHBondContact O-CE 3.46Å
263L94.6Very high96.4Very high119 Ų11946.3 Ų46.362%0.62321%0.208SC*.Hα-helixtrans-67.5-43.5-179.7-65.1175.2000110.8D261 A265 L266 K267 I312D261-L263 PolarHBondContact OD1-N 3.31Å; L263-A265 VanDerWaalsContact C-N 3.35Å; L263-L266 PolarHBondContact O-N 3.38Å; L263-K267 PolarHBondContact O-N 2.88Å; L263-K267 VanDerWaalsContact O-N 3.1Å; L263-I312 HydrophobicContact CD2-CD1 3.64Å; L263-I312 HydrophobicContact CD2-CG1 4.39Å
264G95.4Very high96.2Very high11 Ų1152.3 Ų52.311%0.11324%0.236CC..Hα-helixtrans-61.2-42.4172.900000112.2D261 L266 K267 Y268D261-G264 PolarHBondContact OD1-N 3.26Å; D261-G264 WeakPolarHBondContact OD2-CA 3.38Å; G264-L266 PolarHBondContact O-N 2.95Å; G264-K267 WeakPolarHBondContact O-CB 3.35Å; G264-K267 PolarHBondContact O-N 2.85Å; G264-Y268 WeakPolarHBondContact O-CD2 3.41Å; G264-Y268 PolarHBondContact O-N 3.33Å
265A97.1Very high96Very high0 Ų054.3 Ų54.30%025%0.246CC..Hα-helixtrans-58.4-47.8175.400000112.2G252 F255 V256 D261 L262 L263 K267 Y268 W269 M318G252-A265 WeakPolarHBondContact O-CB 3.29Å; F255-A265 HydrophobicContact CB-CB 3.83Å; V256-A265 HydrophobicContact CG2-CB 3.45Å; V256-A265 VanDerWaalsContact CG2-CB 3.45Å; D261-A265 PolarHBondContact O-N 3.19Å; D261-A265 VanDerWaalsContact O-N 3.12Å; L262-A265 WeakPolarHBondContact O-CB 3.39Å; L262-A265 PolarHBondContact O-N 3.12Å; L263-A265 VanDerWaalsContact C-N 3.35Å; A265-K267 VanDerWaalsContact C-N 3.3Å; A265-K267 PolarHBondContact O-N 3.21Å; A265-Y268 PolarHBondContact O-N 3.18Å; A265-Y268 VanDerWaalsContact O-N 3.15Å; A265-W269 PolarHBondContact O-N 3.34Å; A265-M318 HydrophobicContact CB-CE 4.36Å
266L95.8Very high95.9Very high13 Ų1354 Ų547%0.06824%0.244CC..Hα-helixtrans-61.8-38.3-179.3-166.169.6000112L262 L263 G264 Y268 W269 K270 L308 I312 M318L262-L266 PolarHBondContact O-N 3.38Å; L263-L266 PolarHBondContact O-N 3.38Å; G264-L266 PolarHBondContact O-N 2.95Å; L266-Y268 VanDerWaalsContact C-N 3.33Å; L266-Y268 PolarHBondContact O-N 3.11Å; L266-W269 HydrophobicContact CD1-CE3 4.43Å; L266-W269 PolarHBondContact O-N 3.26Å; L266-K270 WeakPolarHBondContact O-CB 3.25Å; L266-K270 WeakPolarHBondContact O-CG 3.28Å; L266-K270 PolarHBondContact O-N 3Å; L266-L308 HydrophobicContact CD1-CD2 3.49Å; L266-L308 VanDerWaalsContact CD1-CD2 3.49Å; L266-L308 HydrophobicContact CD1-CG 3.73Å; L266-L308 WeakPolarHBondContact CD1-O 3.13Å; L266-L308 HydrophobicContact CG-CD2 4.11Å; L266-I312 HydrophobicContact CD2-CB 4.24Å; L266-I312 HydrophobicContact CD2-CD1 4.26Å; L266-M318 HydrophobicContact CB-CE 4.27Å; L266-M318 HydrophobicContact CD1-CE 4.45Å
267K96.2Very high95.7Very high145 Ų14558 Ų5863%0.6326%0.26SS*.Hα-helixtrans-56.5-46.1174.8-179.2-173.3176.1-175.10111.8L263 G264 A265 R271L263-K267 PolarHBondContact O-N 2.88Å; L263-K267 VanDerWaalsContact O-N 3.1Å; G264-K267 WeakPolarHBondContact O-CB 3.35Å; G264-K267 PolarHBondContact O-N 2.85Å; A265-K267 VanDerWaalsContact C-N 3.3Å; A265-K267 PolarHBondContact O-N 3.21Å; K267-R271 PolarHBondContact O-N 3.48Å; K267-R271 VanDerWaalsContact O-N 3.16Å
268Y97.7Very high95.5Very high19 Ų1961.9 Ų61.98%0.07529%0.287CS..Hα-helixtrans-71.5-37.4179.2-66.9-65.8000112.3T227 L248 L251 F255 G264 A265 L266 R271 A272T227-Y268 VanDerWaalsContact CG2-OH 3.29Å; T227-Y268 WeakPolarHBondContact CG2-OH 3.42Å; L248-Y268 HydrophobicContact CD2-CD1 3.85Å; L251-Y268 HydrophobicContact CD2-CD1 3.85Å; L251-Y268 HydrophobicContact CD2-CD2 4.08Å; L251-Y268 HydrophobicContact CD2-CE1 3.63Å; L251-Y268 HydrophobicContact CD2-CE2 3.9Å; L251-Y268 HydrophobicContact CD2-CG 4.07Å; L251-Y268 HydrophobicContact CG-CD2 4.17Å; L251-Y268 HydrophobicContact CG-CE2 4.23Å; L251-Y268 HydrophobicContact CG-CG 4.4Å; F255-Y268 HydrophobicContact CD1-CE2 4.41Å; F255-Y268 HydrophobicContact CD2-CD2 4.27Å; F255-Y268 HydrophobicContact CD2-CE2 4.01Å; F255-Y268 HydrophobicContact CE1-CE2 4.05Å; F255-Y268 HydrophobicContact CE2-CD2 4.29Å; F255-Y268 AromaticContact CE2-CE2 3.59Å; F255-Y268 HydrophobicContact CE2-CE2 3.59Å; F255-Y268 HydrophobicContact CG-CE2 4.4Å; F255-Y268 AromaticContact CZ-CE2 3.62Å; F255-Y268 HydrophobicContact CZ-CE2 3.62Å; G264-Y268 WeakPolarHBondContact O-CD2 3.41Å; G264-Y268 PolarHBondContact O-N 3.33Å; A265-Y268 PolarHBondContact O-N 3.18Å; A265-Y268 VanDerWaalsContact O-N 3.15Å; L266-Y268 VanDerWaalsContact C-N 3.33Å; L266-Y268 PolarHBondContact O-N 3.11Å; Y268-R271 PolarHBondContact O-N 3.41Å; Y268-A272 WeakPolarHBondContact O-CB 3.31Å; Y268-A272 PolarHBondContact O-N 2.89Å
269W97.6Very high95.2Very high7 Ų759.6 Ų59.63%0.02728%0.28CS..Hα-helixtrans-65.3-40.3175-65.8-15.4000112.7E249 V256 A265 L266 A272 M273 L308 L311 M318 Q321 A322 I325E249-W269 PolarHBondContact O-NE1 2.81Å; V256-W269 HydrophobicContact CG2-CH2 3.71Å; V256-W269 HydrophobicContact CG2-CZ2 4Å; A265-W269 PolarHBondContact O-N 3.34Å; L266-W269 HydrophobicContact CD1-CE3 4.43Å; L266-W269 PolarHBondContact O-N 3.26Å; W269-A272 PolarHBondContact O-N 3.09Å; W269-M273 WeakPolarHBondContact O-CB 3.27Å; W269-M273 PolarHBondContact O-N 2.76Å; W269-L308 HydrophobicContact CB-CD1 3.76Å; W269-L308 HydrophobicContact CB-CD2 4.16Å; W269-L311 HydrophobicContact CE3-CD2 3.91Å; W269-L311 HydrophobicContact CZ3-CD2 3.57Å; W269-M318 HydrophobicContact CE3-CE 4.21Å; W269-M318 HydrophobicContact CH2-CE 4.35Å; W269-M318 HydrophobicContact CZ3-CB 4.41Å; W269-M318 HydrophobicContact CZ3-CE 3.61Å; W269-M318 HydrophobicContact CZ3-CG 4.37Å; W269-Q321 HydrophobicContact CH2-CB 3.79Å; W269-Q321 HydrophobicContact CZ2-CB 4.41Å; W269-Q321 HydrophobicContact CZ3-CB 4.16Å; W269-A322 HydrophobicContact CZ2-CB 4.49Å; W269-I325 HydrophobicContact CD2-CD1 4.44Å; W269-I325 HydrophobicContact CZ2-CD1 3.72Å
270K96.3Very high94.7Very high66 Ų6666.3 Ų66.329%0.28730%0.302SS..Hα-helixtrans-58.1-51.8172.1-75.8-170.7177.1-160.30111.1L266 A272 M273 E274 L308 E309L266-K270 WeakPolarHBondContact O-CB 3.25Å; L266-K270 WeakPolarHBondContact O-CG 3.28Å; L266-K270 PolarHBondContact O-N 3Å; K270-A272 VanDerWaalsContact C-N 3.32Å; K270-A272 PolarHBondContact O-N 3.05Å; K270-M273 WeakPolarHBondContact O-CB 3.37Å; K270-M273 PolarHBondContact O-N 3.48Å; K270-M273 VanDerWaalsContact O-N 3.11Å; K270-E274 WeakPolarHBondContact O-CG 3.48Å; K270-E274 PolarHBondContact O-N 3.11Å; K270-L308 HydrophobicContact CB-CD2 4.06Å; K270-L308 HydrophobicContact CD-CD2 4.22Å; K270-L308 HydrophobicContact CG-CD2 3.12Å; K270-E309 IonicContact NZ-OE1 3.98Å
271R95.9Very high94.3Very high72 Ų7263.6 Ų63.627%0.27231%0.307SS..Hα-helixtrans-58.2-42.3178.1-175.5179.8165.9-160.3-6.8112.2D231 T234 L248 K267 Y268 M275D231-R271 IonicContact OD1-NH1 3.63Å; D231-R271 PolarHBondContact OD1-NH1 3.16Å; T234-R271 PolarHBondContact OG1-NH2 3.23Å; L248-R271 HydrophobicContact CD1-CG 4.05Å; K267-R271 PolarHBondContact O-N 3.48Å; K267-R271 VanDerWaalsContact O-N 3.16Å; Y268-R271 PolarHBondContact O-N 3.41Å; R271-M275 VanDerWaalsContact O-CG 3.27Å; R271-M275 WeakPolarHBondContact O-CG 3.33Å; R271-M275 PolarHBondContact O-N 2.93Å; R271-M275 VanDerWaalsContact O-N 3.09Å
272A96.8Very high94Very high0 Ų064.9 Ų64.90%031%0.314CS..Hα-helixtrans-66.1-40.6176.600000112.2I245 L248 E249 Y268 W269 K270 M275 R276I245-A272 HydrophobicContact CG2-CB 4.33Å; L248-A272 HydrophobicContact CB-CB 3.91Å; E249-A272 HydrophobicContact CG-CB 3.69Å; Y268-A272 WeakPolarHBondContact O-CB 3.31Å; Y268-A272 PolarHBondContact O-N 2.89Å; W269-A272 PolarHBondContact O-N 3.09Å; K270-A272 VanDerWaalsContact C-N 3.32Å; K270-A272 PolarHBondContact O-N 3.05Å; A272-M275 WeakPolarHBondContact O-CB 3.4Å; A272-M275 PolarHBondContact O-N 3.28Å; A272-R276 WeakPolarHBondContact O-CG 3.26Å; A272-R276 PolarHBondContact O-N 3.03Å
273M95.4Very high93.8Very high4 Ų466.6 Ų66.62%0.0232%0.322CS..Hα-helixtrans-64.8-44.6178.1-16562.577.300111.7W269 K270 M275 R276 Y277 V302 L308W269-M273 WeakPolarHBondContact O-CB 3.27Å; W269-M273 PolarHBondContact O-N 2.76Å; K270-M273 WeakPolarHBondContact O-CB 3.37Å; K270-M273 PolarHBondContact O-N 3.48Å; K270-M273 VanDerWaalsContact O-N 3.11Å; M273-M275 VanDerWaalsContact C-N 3.28Å; M273-M275 PolarHBondContact O-N 3.42Å; M273-R276 WeakPolarHBondContact O-CB 3.43Å; M273-R276 PolarHBondContact O-N 3.42Å; M273-R276 VanDerWaalsContact O-N 3.13Å; M273-Y277 HydrophobicContact CG-CD2 4.23Å; M273-Y277 HydrophobicContact CG-CE2 4.27Å; M273-Y277 WeakPolarHBondContact O-CD2 3.42Å; M273-Y277 PolarHBondContact O-N 3.09Å; M273-Y277 HydrophobicContact SD-CD2 4.02Å; M273-Y277 HydrophobicContact SD-CE2 3.53Å; M273-Y277 VanDerWaalsContact SD-CE2 3.53Å; M273-V302 HydrophobicContact CE-CG2 4.33Å; M273-V302 WeakPolarHBondContact CE-O 3.49Å; M273-L308 HydrophobicContact CE-CD1 4.28Å
274E95.1Very high93.6Very high126 Ų12662.6 Ų62.659%0.58930%0.301SS*.Hα-helixtrans-57.4-43.1172.3-71.6167.6-171.300111.1K270 R276 Y277 S278K270-E274 WeakPolarHBondContact O-CG 3.48Å; K270-E274 PolarHBondContact O-N 3.11Å; E274-R276 VanDerWaalsContact C-N 3.33Å; E274-R276 PolarHBondContact O-N 3.07Å; E274-Y277 CarbonylContact O-C 3.58Å; E274-Y277 PolarHBondContact O-N 3.26Å; E274-S278 WeakPolarHBondContact O-CA 3.43Å; E274-S278 VanDerWaalsContact O-CB 3.3Å; E274-S278 WeakPolarHBondContact O-CB 3.33Å; E274-S278 PolarHBondContact O-N 3.32Å
275M93.9Very high93.3Very high41 Ų4165.8 Ų65.820%0.20232%0.322CS..Hα-helixtrans-63.4-36.5176.6-72.6178.970.700112.6K241 R244 I245 L248 R271 A272 M273 Y277 S278K241-M275 WeakPolarHBondContact CE-O 3.23Å; K241-M275 PolarHBondContact NZ-O 2.82Å; R244-M275 HydrophobicContact CB-CE 3.77Å; I245-M275 HydrophobicContact CD1-CB 4.05Å; I245-M275 HydrophobicContact CG1-CB 3.7Å; I245-M275 HydrophobicContact CG1-CE 4.33Å; L248-M275 HydrophobicContact CD1-SD 3.63Å; R271-M275 VanDerWaalsContact O-CG 3.27Å; R271-M275 WeakPolarHBondContact O-CG 3.33Å; R271-M275 PolarHBondContact O-N 2.93Å; R271-M275 VanDerWaalsContact O-N 3.09Å; A272-M275 WeakPolarHBondContact O-CB 3.4Å; A272-M275 PolarHBondContact O-N 3.28Å; M273-M275 VanDerWaalsContact C-N 3.28Å; M273-M275 PolarHBondContact O-N 3.42Å; M275-Y277 VanDerWaalsContact C-N 3.34Å; M275-Y277 PolarHBondContact O-N 3.48Å; M275-S278 PolarHBondContact O-OG 3.21Å
276R94.6Very high93.1Very high10 Ų1066.7 Ų66.74%0.03833%0.326CS..Hα-helixtrans-61.5-39.5176-73.7-179.7175.9-76.6-1.8112.8I245 E249 A272 M273 E274 L284 S285I245-R276 HydrophobicContact CD1-CG 3.9Å; I245-R276 HydrophobicContact CG1-CG 4.44Å; I245-R276 HydrophobicContact CG2-CG 3.77Å; E249-R276 VanDerWaalsContact CD-NH2 3.27Å; E249-R276 IonicContact OE1-CZ 2.76Å; E249-R276 VanDerWaalsContact OE1-CZ 3.25Å; E249-R276 IonicContact OE1-NE 2.92Å; E249-R276 PolarHBondContact OE1-NE 3.26Å; E249-R276 IonicContact OE1-NH2 3.93Å; E249-R276 PolarHBondContact OE1-NH2 2.95Å; E249-R276 IonicContact OE2-CZ 3.46Å; E249-R276 IonicContact OE2-NH2 3.18Å; E249-R276 PolarHBondContact OE2-NH2 3.08Å; A272-R276 WeakPolarHBondContact O-CG 3.26Å; A272-R276 PolarHBondContact O-N 3.03Å; M273-R276 WeakPolarHBondContact O-CB 3.43Å; M273-R276 PolarHBondContact O-N 3.42Å; M273-R276 VanDerWaalsContact O-N 3.13Å; E274-R276 VanDerWaalsContact C-N 3.33Å; E274-R276 PolarHBondContact O-N 3.07Å; R276-L284 WeakPolarHBondContact CD-O 3.47Å; R276-L284 HydrophobicContact CG-CB 4.48Å; R276-L284 WeakPolarHBondContact CG-O 3.43Å; R276-L284 PolarHBondContact NH1-O 3.18Å; R276-L284 PolarHBondContact O-N 3.25Å; R276-S285 PolarHBondContact NH1-O 2.9Å
277Y93.6Very high92.8Very high87 Ų8770 Ų7034%0.34135%0.348SS..Hα-helixtrans-105.13-174.6-65.1-73.7000114.7M273 E274 M275 D279 I283 N303M273-Y277 HydrophobicContact CG-CD2 4.23Å; M273-Y277 HydrophobicContact CG-CE2 4.27Å; M273-Y277 WeakPolarHBondContact O-CD2 3.42Å; M273-Y277 PolarHBondContact O-N 3.09Å; M273-Y277 HydrophobicContact SD-CD2 4.02Å; M273-Y277 HydrophobicContact SD-CE2 3.53Å; M273-Y277 VanDerWaalsContact SD-CE2 3.53Å; E274-Y277 CarbonylContact O-C 3.58Å; E274-Y277 PolarHBondContact O-N 3.26Å; M275-Y277 VanDerWaalsContact C-N 3.34Å; M275-Y277 PolarHBondContact O-N 3.48Å; Y277-D279 VanDerWaalsContact C-N 3.26Å; Y277-D279 PolarHBondContact O-N 3.44Å; Y277-I283 HydrophobicContact CD1-CG1 4.44Å; Y277-I283 HydrophobicContact CD1-CG2 3.68Å; Y277-I283 HydrophobicContact CE1-CG2 3.53Å; Y277-N303 WeakPolarHBondContact CE2-O 3.46Å; Y277-N303 PolarHBondContact OH-ND2 3.33Å; Y277-N303 PolarHBondContact OH-O 3.26Å
278S91.9Very high92.3Very high82 Ų8269.1 Ų69.157%0.57336%0.355SS*.SBendtrans-58.8-32.3179.753.60000114.4K241 E274 M275K241-S278 WeakPolarHBondContact CE-OG 3.39Å; K241-S278 PolarHBondContact NZ-OG 3.37Å; E274-S278 WeakPolarHBondContact O-CA 3.43Å; E274-S278 VanDerWaalsContact O-CB 3.3Å; E274-S278 WeakPolarHBondContact O-CB 3.33Å; E274-S278 PolarHBondContact O-N 3.32Å; M275-S278 PolarHBondContact O-OG 3.21Å
279D89.8Confident91.4Very high61 Ų6171.4 Ų71.433%0.32637%0.371SS..  trans-115.8113.2-179.4-176.6-8000109.2Y277 T281 N282Y277-D279 VanDerWaalsContact C-N 3.26Å; Y277-D279 PolarHBondContact O-N 3.44Å; D279-T281 PolarHBondContact O-N 3.33Å; D279-T281 WeakPolarHBondContact OD1-CB 3.35Å; D279-T281 PolarHBondContact OD1-N 2.97Å; D279-T281 PolarHBondContact OD1-OG1 2.86Å; D279-T281 PolarHBondContact OD2-OG1 2.96Å; D279-N282 CarbonylContact O-C 3.41Å; D279-N282 PolarHBondContact O-N 2.95Å
280R85.3Confident90.5Very high233 Ų23380.6 Ų80.688%0.87942%0.415SS*.THydrogen-bonded Turntrans-66.5-21.2-179.3-65.5-175.5-179.2-176.10112.9
281T86.5Confident90.1Very high128 Ų12882.5 Ų82.579%0.78543%0.432SS*.THydrogen-bonded Turntrans-88.3-22-179.467.60000112.8D279D279-T281 PolarHBondContact O-N 3.33Å; D279-T281 WeakPolarHBondContact OD1-CB 3.35Å; D279-T281 PolarHBondContact OD1-N 2.97Å; D279-T281 PolarHBondContact OD1-OG1 2.86Å; D279-T281 PolarHBondContact OD2-OG1 2.96Å
282N89.6Confident89.8Confident88 Ų8882.6 Ų82.647%0.47144%0.437SS..SBendtrans-137.368.9-177.9-172.819.9000111D279D279-N282 CarbonylContact O-C 3.41Å; D279-N282 PolarHBondContact O-N 2.95Å
283I90.2Very high89.6Confident86 Ų8683.8 Ų83.844%0.44144%0.443SS..  trans-74.1126176.6-65.1171.4000109.2Y277 S285Y277-I283 HydrophobicContact CD1-CG1 4.44Å; Y277-I283 HydrophobicContact CD1-CG2 3.68Å; Y277-I283 HydrophobicContact CE1-CG2 3.53Å; I283-S285 PolarHBondContact O-N 2.9Å
284L90.5Very high89.5Confident35 Ų3588.7 Ų88.718%0.18347%0.468CS..  trans-99.383.7177.4-63.6172.1000109.7K241 T242 I245 R276K241-L284 HydrophobicContact CB-CD1 4.49Å; K241-L284 HydrophobicContact CD-CD1 4.01Å; K241-L284 HydrophobicContact CG-CD1 4.03Å; T242-L284 HydrophobicContact CG2-CD1 3.74Å; T242-L284 HydrophobicContact CG2-CD2 3.94Å; T242-L284 HydrophobicContact CG2-CG 4.46Å; I245-L284 HydrophobicContact CD1-CD1 3.63Å; R276-L284 WeakPolarHBondContact CD-O 3.47Å; R276-L284 HydrophobicContact CG-CB 4.48Å; R276-L284 WeakPolarHBondContact CG-O 3.43Å; R276-L284 PolarHBondContact NH1-O 3.18Å; R276-L284 PolarHBondContact O-N 3.25Å
285S89.8Confident89.4Confident79 Ų7983 Ų8355%0.55244%0.443SS*.PPolyproline II helixtrans-66155.2176.255.90000111.9R276 I283R276-S285 PolarHBondContact NH1-O 2.9Å; I283-S285 PolarHBondContact O-N 2.9Å
286K92.1Very high89.4Confident19 Ų1981.1 Ų81.18%0.08343%0.433CS..PPolyproline II helixtrans-73.3139.7174-70.4-173.1174.6-169.90110.4E249 E301 V302 N303E249-K286 WeakPolarHBondContact OE1-CE 3.33Å; K286-E301 HydrophobicContact CD-CB 3.89Å; K286-E301 WeakPolarHBondContact CD-OE2 3.26Å; K286-E301 WeakPolarHBondContact CE-OE2 3.21Å; K286-E301 IonicContact NZ-OE2 2.81Å; K286-E301 PolarHBondContact NZ-OE2 3.38Å; K286-V302 VanDerWaalsContact CD-O 3.25Å; K286-V302 WeakPolarHBondContact CD-O 3.13Å; K286-V302 WeakPolarHBondContact CE-O 3.35Å; K286-V302 PolarHBondContact NZ-O 3.24Å; K286-N303 PolarHBondContact N-OD1 3.28Å
287P90.3Very high89.3Confident81 Ų8186 Ų8653%0.52646%0.46SS..PPolyproline II helixtrans-68.4138.3174.430.3-33.8000109.6R328P287-R328 VanDerWaalsContact CG-CD 3.4Å; P287-R328 HydrophobicContact CG-CG 4.2Å
288V85.1Confident89.3Confident128 Ų12887.9 Ų87.978%0.77647%0.467SS*.PPolyproline II helixtrans-84.4127.7178.6-175.20000108.8
289P80.4Confident89.4Confident66 Ų6684.5 Ų84.543%0.42944%0.444SS..PPolyproline II helixtrans-65147.2176.526.6-33.1000110.9T291P289-T291 VanDerWaalsContact C-N 3.32Å; P289-T291 PolarHBondContact O-N 3.31Å
290Q78.2Confident89.6Confident201 Ų20187.9 Ų87.994%0.93946%0.456SS*.SBendtrans-65.8-35.8-178.1-66.9-178.2-3.300112.5
291T87.5Confident90Very high105 Ų10578.4 Ų78.464%0.64442%0.422SS*.SBendtrans-137.6146.2-179.453.90000110.2P289P289-T291 VanDerWaalsContact C-N 3.32Å; P289-T291 PolarHBondContact O-N 3.31Å
292L90.5Very high90.4Very high74 Ų7472.9 Ų72.939%0.38739%0.388SS..  trans-81.8135.2172.6-61.2179.3000109.5Y298 K300L292-Y298 HydrophobicContact CB-CD1 3.76Å; L292-Y298 HydrophobicContact CB-CG 4.44Å; L292-K300 HydrophobicContact CD2-CD 4.33Å; L292-K300 HydrophobicContact CD2-CG 3.7Å
293I91.5Very high90.5Very high25 Ų2571.7 Ų71.713%0.12838%0.381CS..  trans-94.5115.7-173.8-62.1161.3000108.4A295 Y296 Y298 Y363I293-A295 HydrophobicContact CG2-CB 3.94Å; I293-A295 PolarHBondContact O-N 2.9Å; I293-Y296 HydrophobicContact CB-CD2 3.71Å; I293-Y296 HydrophobicContact CB-CE2 4.27Å; I293-Y296 HydrophobicContact CB-CG 4.11Å; I293-Y296 HydrophobicContact CD1-CD2 3.57Å; I293-Y296 HydrophobicContact CD1-CE2 3.38Å; I293-Y296 HydrophobicContact CG1-CD2 4.24Å; I293-Y296 HydrophobicContact CG1-CE2 4.42Å; I293-Y296 HydrophobicContact CG2-CD1 4.38Å; I293-Y296 HydrophobicContact CG2-CD2 3.87Å; I293-Y296 HydrophobicContact CG2-CE2 4.18Å; I293-Y296 HydrophobicContact CG2-CG 3.97Å; I293-Y296 CarbonylContact O-C 3.58Å; I293-Y296 PolarHBondContact O-N 3.23Å; I293-Y298 PolarHBondContact O-N 3.3Å; I293-Y298 VanDerWaalsContact O-N 3.12Å; I293-Y363 HydrophobicContact CD1-CE1 4.26Å; I293-Y363 WeakPolarHBondContact CD1-OH 3.4Å; I293-Y363 HydrophobicContact CG1-CE2 4.37Å; I293-Y363 HydrophobicContact CG2-CD1 4.18Å; I293-Y363 HydrophobicContact CG2-CD2 3.94Å; I293-Y363 HydrophobicContact CG2-CE1 3.95Å; I293-Y363 HydrophobicContact CG2-CE2 3.7Å; I293-Y363 HydrophobicContact CG2-CG 4.19Å
294M92.8Very high90.6Very high107 Ų10769.2 Ų69.253%0.52737%0.372SS..G310 helixtrans-55.8-36.9177.1-179.7-170.47000112.2Y296 D297 Y298M294-Y296 PolarHBondContact O-N 2.96Å; M294-D297 PolarHBondContact O-N 2.89Å; M294-Y298 HydrophobicContact CB-CE1 3.82Å; M294-Y298 HydrophobicContact CB-CE2 4.33Å; M294-Y298 HydrophobicContact CG-CE1 4.44Å; M294-Y298 HydrophobicContact CG-CE2 4.13Å; M294-Y298 WeakPolarHBondContact CG-OH 3.32Å
295A93Very high90.5Very high8 Ų870.3 Ų70.37%0.06638%0.383CS..G310 helixtrans-64.6-22.1178.500000113.3I293 D297 L360 Y363I293-A295 HydrophobicContact CG2-CB 3.94Å; I293-A295 PolarHBondContact O-N 2.9Å; A295-D297 VanDerWaalsContact C-N 3.34Å; A295-L360 HydrophobicContact CB-CD2 4.34Å; A295-L360 VanDerWaalsContact O-CD2 3.29Å; A295-L360 WeakPolarHBondContact O-CD2 3.35Å; A295-Y363 HydrophobicContact CB-CD1 4.32Å; A295-Y363 HydrophobicContact CB-CG 3.92Å
296Y95Very high90.5Very high1 Ų173.4 Ų73.40%0.00439%0.388CS..G310 helixtrans-98.320174-56.2-22.5000112.4I293 M294 Y298 A299 L323 L324 E327 I341 L360 Y363I293-Y296 HydrophobicContact CB-CD2 3.71Å; I293-Y296 HydrophobicContact CB-CE2 4.27Å; I293-Y296 HydrophobicContact CB-CG 4.11Å; I293-Y296 HydrophobicContact CD1-CD2 3.57Å; I293-Y296 HydrophobicContact CD1-CE2 3.38Å; I293-Y296 HydrophobicContact CG1-CD2 4.24Å; I293-Y296 HydrophobicContact CG1-CE2 4.42Å; I293-Y296 HydrophobicContact CG2-CD1 4.38Å; I293-Y296 HydrophobicContact CG2-CD2 3.87Å; I293-Y296 HydrophobicContact CG2-CE2 4.18Å; I293-Y296 HydrophobicContact CG2-CG 3.97Å; I293-Y296 CarbonylContact O-C 3.58Å; I293-Y296 PolarHBondContact O-N 3.23Å; M294-Y296 PolarHBondContact O-N 2.96Å; Y296-Y298 PolarHBondContact O-N 3.31Å; Y296-A299 WeakPolarHBondContact O-CB 3.37Å; Y296-A299 PolarHBondContact O-N 3.32Å; Y296-L323 HydrophobicContact CD1-CB 4.21Å; Y296-L323 HydrophobicContact CD1-CD1 3.76Å; Y296-L323 HydrophobicContact CE1-CB 3.83Å; Y296-L323 HydrophobicContact CE1-CD1 3.6Å; Y296-L323 HydrophobicContact CE1-CG 4.32Å; Y296-L323 HydrophobicContact CE2-CB 4.42Å; Y296-L324 HydrophobicContact CD2-CD2 3.63Å; Y296-L324 HydrophobicContact CD2-CG 4.16Å; Y296-L324 HydrophobicContact CE2-CD2 4.18Å; Y296-E327 WeakPolarHBondContact CE2-OE2 3.49Å; Y296-E327 VanDerWaalsContact CZ-OE2 3.28Å; Y296-E327 PolarHBondContact OH-OE2 3.17Å; Y296-I341 HydrophobicContact CE1-CG1 4.28Å; Y296-I341 WeakPolarHBondContact OH-CD1 3.36Å; Y296-L360 HydrophobicContact CD1-CD2 4.02Å; Y296-L360 HydrophobicContact CE1-CD2 4.11Å; Y296-Y363 HydrophobicContact CE1-CD1 4.19Å; Y296-Y363 HydrophobicContact CE1-CE1 4.25Å; Y296-Y363 HydrophobicContact CE2-CE1 4.23Å; Y296-Y363 AromaticContact CZ-CE1 3.71Å; Y296-Y363 WeakPolarHBondContact OH-CE1 3.45Å
297D92.7Very high90.5Very high112 Ų11276.8 Ų76.860%0.59941%0.405SS*.THydrogen-bonded Turntrans57.829.4-178.5-141.619.9000113.2M294 A295 A299M294-D297 PolarHBondContact O-N 2.89Å; A295-D297 VanDerWaalsContact C-N 3.34Å; D297-A299 PolarHBondContact O-N 2.89Å; D297-A299 VanDerWaalsContact O-N 3.15Å
298Y93.4Very high90.5Very high126 Ų12673 Ų7349%0.49438%0.38SS..THydrogen-bonded Turntrans57.721.9-174.5-49.9-79.6000114.3L292 I293 M294 Y296L292-Y298 HydrophobicContact CB-CD1 3.76Å; L292-Y298 HydrophobicContact CB-CG 4.44Å; I293-Y298 PolarHBondContact O-N 3.3Å; I293-Y298 VanDerWaalsContact O-N 3.12Å; M294-Y298 HydrophobicContact CB-CE1 3.82Å; M294-Y298 HydrophobicContact CB-CE2 4.33Å; M294-Y298 HydrophobicContact CG-CE1 4.44Å; M294-Y298 HydrophobicContact CG-CE2 4.13Å; M294-Y298 WeakPolarHBondContact CG-OH 3.32Å; Y296-Y298 PolarHBondContact O-N 3.31Å
299A92.8Very high90.6Very high11 Ų1172.2 Ų72.29%0.09137%0.368CS..  trans-58.1152.917800000112.2Y296 D297 M320 L324Y296-A299 WeakPolarHBondContact O-CB 3.37Å; Y296-A299 PolarHBondContact O-N 3.32Å; D297-A299 PolarHBondContact O-N 2.89Å; D297-A299 VanDerWaalsContact O-N 3.15Å; A299-M320 HydrophobicContact CB-CB 3.8Å; A299-M320 HydrophobicContact CB-CG 4.41Å; A299-L324 HydrophobicContact CB-CD1 3.98Å
300K93.6Very high91Very high133 Ų13374.4 Ų74.458%0.57838%0.376SS*.  trans-125.5146.6176.7-73.4-177.9178.8175.50109.7L292 V302 Q321L292-K300 HydrophobicContact CD2-CD 4.33Å; L292-K300 HydrophobicContact CD2-CG 3.7Å; K300-V302 PolarHBondContact O-N 3.39Å; K300-Q321 PolarHBondContact O-NE2 3.41Å
301E95.1Very high91.5Very high34 Ų3465.2 Ų65.216%0.15933%0.333CS..  trans-64.3133.7177.3-76.5-166.1-128.700112.2K286 N303 Q321 L324 I325 R328K286-E301 HydrophobicContact CD-CB 3.89Å; K286-E301 WeakPolarHBondContact CD-OE2 3.26Å; K286-E301 WeakPolarHBondContact CE-OE2 3.21Å; K286-E301 IonicContact NZ-OE2 2.81Å; K286-E301 PolarHBondContact NZ-OE2 3.38Å; E301-N303 PolarHBondContact O-N 3.34Å; E301-Q321 VanDerWaalsContact CA-OE1 3.23Å; E301-L324 HydrophobicContact CG-CB 3.72Å; E301-L324 HydrophobicContact CG-CD1 4.11Å; E301-I325 HydrophobicContact CG-CG1 4.47Å; E301-I325 WeakPolarHBondContact OE2-CG1 3.34Å; E301-R328 WeakPolarHBondContact OE1-CD 3.43Å; E301-R328 IonicContact OE1-CZ 2.8Å; E301-R328 IonicContact OE1-NE 2.91Å; E301-R328 PolarHBondContact OE1-NE 3.04Å; E301-R328 IonicContact OE1-NH2 3.51Å; E301-R328 PolarHBondContact OE1-NH2 3.45Å; E301-R328 IonicContact OE2-CZ 2.75Å; E301-R328 IonicContact OE2-NE 2.92Å; E301-R328 PolarHBondContact OE2-NE 2.8Å; E301-R328 IonicContact OE2-NH2 3.49Å; E301-R328 PolarHBondContact OE2-NH2 3.04Å
302V93.6Very high91.3Very high12 Ų1264.7 Ų64.77%0.07333%0.325CS..  trans-56.2131.5171.4-66.30000110.3M273 K286 K300 E307 L308 L311M273-V302 HydrophobicContact CE-CG2 4.33Å; M273-V302 WeakPolarHBondContact CE-O 3.49Å; K286-V302 VanDerWaalsContact CD-O 3.25Å; K286-V302 WeakPolarHBondContact CD-O 3.13Å; K286-V302 WeakPolarHBondContact CE-O 3.35Å; K286-V302 PolarHBondContact NZ-O 3.24Å; K300-V302 PolarHBondContact O-N 3.39Å; V302-E307 WeakPolarHBondContact CA-OE2 3.19Å; V302-E307 HydrophobicContact CB-CB 4.14Å; V302-E307 HydrophobicContact CG1-CB 4.09Å; V302-L308 HydrophobicContact CG2-CD1 3.6Å; V302-L311 HydrophobicContact CG1-CD1 3.93Å
303N93.1Very high91.1Very high62 Ų6265.3 Ų65.333%0.33234%0.341SS..  trans-120.5-2.6-174.2-166.254.1000113.3Y277 K286 E301 E307Y277-N303 WeakPolarHBondContact CE2-O 3.46Å; Y277-N303 PolarHBondContact OH-ND2 3.33Å; Y277-N303 PolarHBondContact OH-O 3.26Å; K286-N303 PolarHBondContact N-OD1 3.28Å; E301-N303 PolarHBondContact O-N 3.34Å; N303-E307 PolarHBondContact N-OE2 3.02Å
304S91.6Very high91.2Very high35 Ų3567.8 Ų67.825%0.24536%0.355CS..SBendtrans-130.2162.5175.973.80000112.3E306 E307 L308S304-E306 VanDerWaalsContact C-N 3.31Å; S304-E307 WeakPolarHBondContact OG-CB 3.48Å; S304-E307 VanDerWaalsContact OG-CG 3.26Å; S304-E307 WeakPolarHBondContact OG-CG 3.31Å; S304-E307 PolarHBondContact OG-N 2.85Å; S304-L308 PolarHBondContact O-N 3.01Å
305S89.4Confident91.2Very high58 Ų5865.2 Ų65.241%0.40635%0.346SS..Hα-helixtrans-67.7-32.5174.8-169.60000112.2L308 E309S305-L308 WeakPolarHBondContact O-CB 3.3Å; S305-L308 PolarHBondContact O-N 3.36Å; S305-E309 PolarHBondContact O-N 3.18Å
306E89.8Confident91.2Very high144 Ų14467.4 Ų67.467%0.67336%0.357SS*.Hα-helixtrans-68-45.8179.3-175.5179.6179.200111.4S304 L308 E309 N310S304-E306 VanDerWaalsContact C-N 3.31Å; E306-L308 PolarHBondContact O-N 3.15Å; E306-E309 PolarHBondContact O-N 3.42Å; E306-E309 VanDerWaalsContact O-N 3.09Å; E306-N310 PolarHBondContact O-N 3.21Å; E306-N310 PolarHBondContact O-ND2 2.92Å
307E91.5Very high91.2Very high90 Ų9070.1 Ų70.142%0.42137%0.37SS..Hα-helixtrans-57.3-35.5173.1-74.8166.8-158.500111.9V302 N303 S304 N310 L311V302-E307 WeakPolarHBondContact CA-OE2 3.19Å; V302-E307 HydrophobicContact CB-CB 4.14Å; V302-E307 HydrophobicContact CG1-CB 4.09Å; N303-E307 PolarHBondContact N-OE2 3.02Å; S304-E307 WeakPolarHBondContact OG-CB 3.48Å; S304-E307 VanDerWaalsContact OG-CG 3.26Å; S304-E307 WeakPolarHBondContact OG-CG 3.31Å; S304-E307 PolarHBondContact OG-N 2.85Å; E307-N310 PolarHBondContact O-N 3.49Å; E307-L311 PolarHBondContact O-N 3.39Å
308L91Very high91.4Very high1 Ų164.9 Ų64.91%0.00534%0.341CS..Hα-helixtrans-69.8-31.9179.3-151.6109.8000112.8L266 W269 K270 M273 V302 S304 S305 E306 L311L266-L308 HydrophobicContact CD1-CD2 3.49Å; L266-L308 VanDerWaalsContact CD1-CD2 3.49Å; L266-L308 HydrophobicContact CD1-CG 3.73Å; L266-L308 WeakPolarHBondContact CD1-O 3.13Å; L266-L308 HydrophobicContact CG-CD2 4.11Å; W269-L308 HydrophobicContact CB-CD1 3.76Å; W269-L308 HydrophobicContact CB-CD2 4.16Å; K270-L308 HydrophobicContact CB-CD2 4.06Å; K270-L308 HydrophobicContact CD-CD2 4.22Å; K270-L308 HydrophobicContact CG-CD2 3.12Å; M273-L308 HydrophobicContact CE-CD1 4.28Å; V302-L308 HydrophobicContact CG2-CD1 3.6Å; S304-L308 PolarHBondContact O-N 3.01Å; S305-L308 WeakPolarHBondContact O-CB 3.3Å; S305-L308 PolarHBondContact O-N 3.36Å; E306-L308 PolarHBondContact O-N 3.15Å; L308-L311 VanDerWaalsContact O-CB 3.26Å; L308-L311 WeakPolarHBondContact O-CB 3.15Å; L308-L311 PolarHBondContact O-N 2.79Å
309E87.1Confident91.5Very high111 Ų11162 Ų6252%0.51933%0.33SS..Hα-helixtrans-70.5-35.2177.8-71.7-171160.900112.4K270 S305 E306 L311 I312K270-E309 IonicContact NZ-OE1 3.98Å; S305-E309 PolarHBondContact O-N 3.18Å; E306-E309 PolarHBondContact O-N 3.42Å; E306-E309 VanDerWaalsContact O-N 3.09Å; E309-L311 PolarHBondContact O-N 2.97Å; E309-I312 WeakPolarHBondContact O-CG2 3.34Å
310N88Confident91.7Very high112 Ų11261.6 Ų61.660%0.59933%0.326SS*.Hα-helixtrans-68.6-21.6176.2-65.2-31.4000112.7E306 E307 I312 A313E306-N310 PolarHBondContact O-N 3.21Å; E306-N310 PolarHBondContact O-ND2 2.92Å; E307-N310 PolarHBondContact O-N 3.49Å; N310-I312 VanDerWaalsContact C-N 3.29Å; N310-I312 PolarHBondContact O-N 2.84Å; N310-A313 PolarHBondContact O-N 3.47Å
311L89.1Confident91.8Very high8 Ų855.3 Ų55.34%0.04230%0.298CS..G310 helixtrans-66.2-25.5-173.9-147.973000114.1W269 V302 E307 L308 E309 A313 D314 E317 M318 Q321W269-L311 HydrophobicContact CE3-CD2 3.91Å; W269-L311 HydrophobicContact CZ3-CD2 3.57Å; V302-L311 HydrophobicContact CG1-CD1 3.93Å; E307-L311 PolarHBondContact O-N 3.39Å; L308-L311 VanDerWaalsContact O-CB 3.26Å; L308-L311 WeakPolarHBondContact O-CB 3.15Å; L308-L311 PolarHBondContact O-N 2.79Å; E309-L311 PolarHBondContact O-N 2.97Å; L311-A313 PolarHBondContact O-N 3.02Å; L311-D314 CarbonylContact O-C 3.55Å; L311-D314 PolarHBondContact O-N 2.99Å; L311-E317 HydrophobicContact CD1-CB 4.12Å; L311-E317 HydrophobicContact CD1-CG 3.5Å; L311-M318 HydrophobicContact CB-CG 4.43Å; L311-M318 HydrophobicContact CD2-CG 3.78Å; L311-M318 HydrophobicContact CG-CG 3.64Å; L311-M318 WeakPolarHBondContact O-CG 3.37Å; L311-Q321 HydrophobicContact CD1-CG 4.18Å; L311-Q321 HydrophobicContact CD2-CG 4Å
312I81.9Confident91.9Very high94 Ų9453.7 Ų53.748%0.48229%0.291SS..G310 helixtrans-66.3-25.8-178.4-162.9167.1000112.6L263 L266 E309 N310 D314L263-I312 HydrophobicContact CD2-CD1 3.64Å; L263-I312 HydrophobicContact CD2-CG1 4.39Å; L266-I312 HydrophobicContact CD2-CB 4.24Å; L266-I312 HydrophobicContact CD2-CD1 4.26Å; E309-I312 WeakPolarHBondContact O-CG2 3.34Å; N310-I312 VanDerWaalsContact C-N 3.29Å; N310-I312 PolarHBondContact O-N 2.84Å; I312-D314 VanDerWaalsContact C-N 3.3Å
313A87.7Confident92.1Very high88 Ų8853.2 Ų53.273%0.72729%0.288SS*.G310 helixtrans-77.5-17.5178.800000112.6N310 L311 P315N310-A313 PolarHBondContact O-N 3.47Å; L311-A313 PolarHBondContact O-N 3.02Å; A313-P315 WeakPolarHBondContact O-CD 3.38Å
314D93.4Very high92.3Very high76 Ų7651 Ų5141%0.40628%0.276SS..  trans-123.592-177.4-166.3-24.9000112L311 I312 D316 E317 M318L311-D314 CarbonylContact O-C 3.55Å; L311-D314 PolarHBondContact O-N 2.99Å; I312-D314 VanDerWaalsContact C-N 3.3Å; D314-D316 PolarHBondContact O-N 3.17Å; D314-D316 WeakPolarHBondContact OD1-CA 3.16Å; D314-D316 WeakPolarHBondContact OD1-CB 3.45Å; D314-D316 PolarHBondContact OD1-N 3.4Å; D314-E317 HydrophobicContact CB-CB 3.93Å; D314-E317 PolarHBondContact O-N 3.04Å; D314-E317 PolarHBondContact OD1-N 3Å; D314-M318 PolarHBondContact O-N 3.11Å
315P92.9Very high92.6Very high54 Ų5449.4 Ų49.435%0.35127%0.265SS..Hα-helixtrans-61.3-27175.5-24.634.9000114.1L262 A313 R319L262-P315 HydrophobicContact CD1-CB 3.93Å; L262-P315 HydrophobicContact CD1-CG 4.45Å; A313-P315 WeakPolarHBondContact O-CD 3.38Å; P315-R319 WeakPolarHBondContact O-CD 3.31Å; P315-R319 WeakPolarHBondContact O-CG 3.31Å; P315-R319 PolarHBondContact O-N 2.92Å; P315-R319 PolarHBondContact O-NE 3.5Å
316D93.1Very high93Very high54 Ų5446.8 Ų46.829%0.28925%0.246SC..Hα-helixtrans-75.3-39.7179.8-93.6-30.5000111.3D314 M318 R319 M320 Y348 R356D314-D316 PolarHBondContact O-N 3.17Å; D314-D316 WeakPolarHBondContact OD1-CA 3.16Å; D314-D316 WeakPolarHBondContact OD1-CB 3.45Å; D314-D316 PolarHBondContact OD1-N 3.4Å; D316-M318 PolarHBondContact O-N 2.85Å; D316-R319 WeakPolarHBondContact O-CB 3.4Å; D316-R319 PolarHBondContact O-N 3.34Å; D316-R319 VanDerWaalsContact O-N 3.12Å; D316-R319 IonicContact OD1-CZ 3.25Å; D316-R319 IonicContact OD1-NH1 2.88Å; D316-R319 PolarHBondContact OD1-NH1 2.92Å; D316-M320 PolarHBondContact O-N 3.46Å; D316-M320 VanDerWaalsContact O-N 3.11Å; D316-Y348 VanDerWaalsContact OD1-CE1 3.28Å; D316-Y348 WeakPolarHBondContact OD1-CE1 3.34Å; D316-Y348 PolarHBondContact OD1-OH 2.89Å; D316-R356 IonicContact OD2-NH1 3.88Å
317E94.7Very high93.3Very high58 Ų5841.8 Ų41.827%0.27122%0.223SC..Hα-helixtrans-62-43.9173.3-171.156-14200110.8L311 D314 R319 M320 Q321L311-E317 HydrophobicContact CD1-CB 4.12Å; L311-E317 HydrophobicContact CD1-CG 3.5Å; D314-E317 HydrophobicContact CB-CB 3.93Å; D314-E317 PolarHBondContact O-N 3.04Å; D314-E317 PolarHBondContact OD1-N 3Å; E317-R319 PolarHBondContact O-N 3.34Å; E317-R319 VanDerWaalsContact O-N 3.16Å; E317-M320 PolarHBondContact O-N 3.32Å; E317-Q321 WeakPolarHBondContact O-CG 3.5Å; E317-Q321 PolarHBondContact O-N 3.4Å; E317-Q321 PolarHBondContact OE1-NE2 3.45Å
318M95.9Very high93.5Very high2 Ų240.5 Ų40.51%0.0121%0.214CC..Hα-helixtrans-55.4-35.8173.9-69.2-167.277.500113L262 A265 L266 W269 L311 D314 D316 A322L262-M318 HydrophobicContact CB-CE 3.98Å; L262-M318 HydrophobicContact CB-SD 3.85Å; L262-M318 HydrophobicContact CD1-SD 4.21Å; L262-M318 HydrophobicContact CD2-CB 4.22Å; L262-M318 HydrophobicContact CD2-CE 4.26Å; L262-M318 HydrophobicContact CD2-SD 4.1Å; L262-M318 HydrophobicContact CG-SD 4.26Å; L262-M318 WeakPolarHBondContact O-CE 3.46Å; A265-M318 HydrophobicContact CB-CE 4.36Å; L266-M318 HydrophobicContact CB-CE 4.27Å; L266-M318 HydrophobicContact CD1-CE 4.45Å; W269-M318 HydrophobicContact CE3-CE 4.21Å; W269-M318 HydrophobicContact CH2-CE 4.35Å; W269-M318 HydrophobicContact CZ3-CB 4.41Å; W269-M318 HydrophobicContact CZ3-CE 3.61Å; W269-M318 HydrophobicContact CZ3-CG 4.37Å; L311-M318 HydrophobicContact CB-CG 4.43Å; L311-M318 HydrophobicContact CD2-CG 3.78Å; L311-M318 HydrophobicContact CG-CG 3.64Å; L311-M318 WeakPolarHBondContact O-CG 3.37Å; D314-M318 PolarHBondContact O-N 3.11Å; D316-M318 PolarHBondContact O-N 2.85Å; M318-A322 PolarHBondContact O-N 3.1Å; M318-A322 VanDerWaalsContact O-N 3.11Å
319R96.2Very high93.8Very high66 Ų6641.9 Ų41.925%0.24922%0.221CC..Hα-helixtrans-69.5-39.5177.4-64.8162.3-171.8162.7-0.3111.1V256 P315 D316 E317 A322 L323 R344V256-R319 HydrophobicContact CG1-CG 4.21Å; P315-R319 WeakPolarHBondContact O-CD 3.31Å; P315-R319 WeakPolarHBondContact O-CG 3.31Å; P315-R319 PolarHBondContact O-N 2.92Å; P315-R319 PolarHBondContact O-NE 3.5Å; D316-R319 WeakPolarHBondContact O-CB 3.4Å; D316-R319 PolarHBondContact O-N 3.34Å; D316-R319 VanDerWaalsContact O-N 3.12Å; D316-R319 IonicContact OD1-CZ 3.25Å; D316-R319 IonicContact OD1-NH1 2.88Å; D316-R319 PolarHBondContact OD1-NH1 2.92Å; E317-R319 PolarHBondContact O-N 3.34Å; E317-R319 VanDerWaalsContact O-N 3.16Å; R319-A322 PolarHBondContact O-N 2.89Å; R319-L323 PolarHBondContact O-N 3.23Å; R319-R344 VanDerWaalsContact CD-NH1 3.34Å; R319-R344 VanDerWaalsContact CG-CZ 3.42Å
320M96.2Very high94.2Very high1 Ų137.1 Ų37.11%0.00520%0.199CC..Hα-helixtrans-68.2-39.6176.1-61.1-57.190.400111.4A299 D316 E317 A322 L323 L324 R344 Y348 R356A299-M320 HydrophobicContact CB-CB 3.8Å; A299-M320 HydrophobicContact CB-CG 4.41Å; D316-M320 PolarHBondContact O-N 3.46Å; D316-M320 VanDerWaalsContact O-N 3.11Å; E317-M320 PolarHBondContact O-N 3.32Å; M320-A322 VanDerWaalsContact C-N 3.3Å; M320-A322 PolarHBondContact O-N 3.44Å; M320-L323 HydrophobicContact CE-CD1 3.81Å; M320-L323 PolarHBondContact O-N 3.45Å; M320-L323 VanDerWaalsContact O-N 3.16Å; M320-L323 HydrophobicContact SD-CD1 4.48Å; M320-L324 WeakPolarHBondContact O-CG 3.24Å; M320-L324 PolarHBondContact O-N 3.33Å; M320-R344 HydrophobicContact CE-CG 4.26Å; M320-Y348 HydrophobicContact CE-CE2 4.22Å; M320-R356 PolarHBondContact SD-NH2 2.66Å; M320-R356 VanDerWaalsContact SD-NH2 3.38Å
321Q96.8Very high94.5Very high1 Ų132.6 Ų32.61%0.00518%0.179CC..Hα-helixtrans-55.9-44.2172.1-64.7-58.7-53.200111.8W269 K300 E301 L311 E317 L323 L324 I325W269-Q321 HydrophobicContact CH2-CB 3.79Å; W269-Q321 HydrophobicContact CZ2-CB 4.41Å; W269-Q321 HydrophobicContact CZ3-CB 4.16Å; K300-Q321 PolarHBondContact O-NE2 3.41Å; E301-Q321 VanDerWaalsContact CA-OE1 3.23Å; L311-Q321 HydrophobicContact CD1-CG 4.18Å; L311-Q321 HydrophobicContact CD2-CG 4Å; E317-Q321 WeakPolarHBondContact O-CG 3.5Å; E317-Q321 PolarHBondContact O-N 3.4Å; E317-Q321 PolarHBondContact OE1-NE2 3.45Å; Q321-L323 VanDerWaalsContact C-N 3.33Å; Q321-L323 PolarHBondContact O-N 3.06Å; Q321-L324 PolarHBondContact O-N 3.33Å; Q321-I325 WeakPolarHBondContact O-CB 3.3Å; Q321-I325 WeakPolarHBondContact O-CD1 3.27Å; Q321-I325 WeakPolarHBondContact O-CG1 3.48Å; Q321-I325 PolarHBondContact O-N 3Å
322A97.9Very high94.7Very high0 Ų034.7 Ų34.70%019%0.193CC..Hα-helixtrans-62.1-38.6178.400000112.9A253 V256 D257 W269 M318 R319 M320 R326A253-A322 HydrophobicContact CB-CB 3.89Å; V256-A322 HydrophobicContact CB-CB 3.82Å; V256-A322 HydrophobicContact CG1-CB 3.85Å; V256-A322 HydrophobicContact CG2-CB 4.2Å; D257-A322 WeakPolarHBondContact OD2-CB 3.31Å; W269-A322 HydrophobicContact CZ2-CB 4.49Å; M318-A322 PolarHBondContact O-N 3.1Å; M318-A322 VanDerWaalsContact O-N 3.11Å; R319-A322 PolarHBondContact O-N 2.89Å; M320-A322 VanDerWaalsContact C-N 3.3Å; M320-A322 PolarHBondContact O-N 3.44Å; A322-R326 VanDerWaalsContact O-CB 3.32Å; A322-R326 WeakPolarHBondContact O-CB 3.34Å; A322-R326 PolarHBondContact O-N 2.7Å; A322-R326 VanDerWaalsContact O-N 3.13Å; A322-R326 PolarHBondContact O-NH1 3.38Å
323L97.5Very high95.1Very high3 Ų333.2 Ų33.22%0.01619%0.191CC..Hα-helixtrans-67.8-47.2175.8-63-177000111.7Y296 R319 M320 Q321 I325 R326 E327 I341 R344 L360Y296-L323 HydrophobicContact CD1-CB 4.21Å; Y296-L323 HydrophobicContact CD1-CD1 3.76Å; Y296-L323 HydrophobicContact CE1-CB 3.83Å; Y296-L323 HydrophobicContact CE1-CD1 3.6Å; Y296-L323 HydrophobicContact CE1-CG 4.32Å; Y296-L323 HydrophobicContact CE2-CB 4.42Å; R319-L323 PolarHBondContact O-N 3.23Å; M320-L323 HydrophobicContact CE-CD1 3.81Å; M320-L323 PolarHBondContact O-N 3.45Å; M320-L323 VanDerWaalsContact O-N 3.16Å; M320-L323 HydrophobicContact SD-CD1 4.48Å; Q321-L323 VanDerWaalsContact C-N 3.33Å; Q321-L323 PolarHBondContact O-N 3.06Å; L323-I325 PolarHBondContact O-N 3.23Å; L323-R326 PolarHBondContact O-N 3.48Å; L323-E327 WeakPolarHBondContact O-CB 3.35Å; L323-E327 PolarHBondContact O-N 3.17Å; L323-I341 HydrophobicContact CD2-CG1 4.08Å; L323-R344 HydrophobicContact CD1-CB 4.42Å; L323-R344 HydrophobicContact CD1-CG 4.19Å; L323-R344 HydrophobicContact CD2-CB 4.45Å; L323-L360 HydrophobicContact CD1-CD2 3.85Å
324L96.8Very high95.4Very high16 Ų1629.7 Ų29.78%0.08416%0.159CC..Hα-helixtrans-58.2-49.5177.6-71.5168.1000111.9Y296 A299 E301 M320 Q321 R326 E327 R328Y296-L324 HydrophobicContact CD2-CD2 3.63Å; Y296-L324 HydrophobicContact CD2-CG 4.16Å; Y296-L324 HydrophobicContact CE2-CD2 4.18Å; A299-L324 HydrophobicContact CB-CD1 3.98Å; E301-L324 HydrophobicContact CG-CB 3.72Å; E301-L324 HydrophobicContact CG-CD1 4.11Å; M320-L324 WeakPolarHBondContact O-CG 3.24Å; M320-L324 PolarHBondContact O-N 3.33Å; Q321-L324 PolarHBondContact O-N 3.33Å; L324-R326 VanDerWaalsContact C-N 3.31Å; L324-R326 PolarHBondContact O-N 3.13Å; L324-E327 PolarHBondContact O-N 3.46Å; L324-R328 WeakPolarHBondContact O-CB 3.33Å; L324-R328 PolarHBondContact O-N 2.86Å
325I97.4Very high95.3Very high1 Ų127.8 Ų27.81%0.00515%0.151CC..Hα-helixtrans-58.8-45179.2-72166.7000110.6E249 A253 W269 E301 Q321 L323 R328 I329E249-I325 HydrophobicContact CB-CG2 3.91Å; A253-I325 HydrophobicContact CB-CB 4.34Å; A253-I325 HydrophobicContact CB-CG2 4.09Å; W269-I325 HydrophobicContact CD2-CD1 4.44Å; W269-I325 HydrophobicContact CZ2-CD1 3.72Å; E301-I325 HydrophobicContact CG-CG1 4.47Å; E301-I325 WeakPolarHBondContact OE2-CG1 3.34Å; Q321-I325 WeakPolarHBondContact O-CB 3.3Å; Q321-I325 WeakPolarHBondContact O-CD1 3.27Å; Q321-I325 WeakPolarHBondContact O-CG1 3.48Å; Q321-I325 PolarHBondContact O-N 3Å; L323-I325 PolarHBondContact O-N 3.23Å; I325-R328 PolarHBondContact O-N 3.39Å; I325-I329 HydrophobicContact CG2-CD1 3.67Å; I325-I329 WeakPolarHBondContact O-CB 3.45Å; I325-I329 VanDerWaalsContact O-CG1 3.29Å; I325-I329 WeakPolarHBondContact O-CG1 3.39Å; I325-I329 PolarHBondContact O-N 3.08Å
326R97.9Very high95.4Very high3 Ų327 Ų271%0.01114%0.144CC..Hα-helixtrans-66.5-45.1-178.2-175.1168.6-67.896.7-7.1111.8L250 A253 D257 A322 L323 L324 R328 I329 L330 Y340L250-R326 HydrophobicContact CD1-CB 4.42Å; L250-R326 HydrophobicContact CD1-CG 4.32Å; A253-R326 PolarHBondContact O-NH2 3.12Å; A253-R326 VanDerWaalsContact O-NH2 3.1Å; D257-R326 IonicContact OD2-CZ 3.69Å; D257-R326 IonicContact OD2-NH1 2.58Å; D257-R326 PolarHBondContact OD2-NH1 2.85Å; D257-R326 IonicContact OD2-NH2 2.7Å; D257-R326 PolarHBondContact OD2-NH2 3.16Å; A322-R326 VanDerWaalsContact O-CB 3.32Å; A322-R326 WeakPolarHBondContact O-CB 3.34Å; A322-R326 PolarHBondContact O-N 2.7Å; A322-R326 VanDerWaalsContact O-N 3.13Å; A322-R326 PolarHBondContact O-NH1 3.38Å; L323-R326 PolarHBondContact O-N 3.48Å; L324-R326 VanDerWaalsContact C-N 3.31Å; L324-R326 PolarHBondContact O-N 3.13Å; R326-R328 VanDerWaalsContact C-N 3.35Å; R326-I329 PolarHBondContact O-N 3.33Å; R326-L330 HydrophobicContact CG-CD1 3.54Å; R326-L330 HydrophobicContact CG-CG 4.04Å; R326-L330 VanDerWaalsContact O-CB 3.28Å; R326-L330 WeakPolarHBondContact O-CB 3.39Å; R326-L330 PolarHBondContact O-N 3.37Å; R326-Y340 VanDerWaalsContact NE-CD2 3.33Å
327E96.1Very high95.5Very high38 Ų3824.5 Ų24.518%0.17813%0.131CC..Hα-helixtrans-64.5-40177.7-172.6173.1160.600111.9Y296 L323 L324 I329 G331 T337 Y363 M367Y296-E327 WeakPolarHBondContact CE2-OE2 3.49Å; Y296-E327 VanDerWaalsContact CZ-OE2 3.28Å; Y296-E327 PolarHBondContact OH-OE2 3.17Å; L323-E327 WeakPolarHBondContact O-CB 3.35Å; L323-E327 PolarHBondContact O-N 3.17Å; L324-E327 PolarHBondContact O-N 3.46Å; E327-I329 PolarHBondContact O-N 3.39Å; E327-G331 WeakPolarHBondContact O-CA 3.29Å; E327-G331 PolarHBondContact O-N 3.17Å; E327-T337 HydrophobicContact CB-CG2 3.98Å; E327-T337 HydrophobicContact CG-CG2 4.15Å; E327-Y363 PolarHBondContact OE1-OH 3.39Å; E327-Y363 PolarHBondContact OE2-OH 3.06Å; E327-M367 HydrophobicContact CG-CE 4.21Å
328R95.8Very high95.5Very high63 Ų6322 Ų2224%0.23812%0.119CC..Hα-helixtrans-62.5-42.7175.6173.917553.885.5-6.6112.9N246 E249 P287 E301 L324 I325 R326N246-R328 PolarHBondContact OD1-NH1 2.91Å; E249-R328 IonicContact OE2-CZ 3.89Å; E249-R328 IonicContact OE2-NH1 2.74Å; E249-R328 PolarHBondContact OE2-NH1 3Å; E249-R328 IonicContact OE2-NH2 3.4Å; E249-R328 PolarHBondContact OE2-NH2 3.41Å; P287-R328 VanDerWaalsContact CG-CD 3.4Å; P287-R328 HydrophobicContact CG-CG 4.2Å; E301-R328 WeakPolarHBondContact OE1-CD 3.43Å; E301-R328 IonicContact OE1-CZ 2.8Å; E301-R328 IonicContact OE1-NE 2.91Å; E301-R328 PolarHBondContact OE1-NE 3.04Å; E301-R328 IonicContact OE1-NH2 3.51Å; E301-R328 PolarHBondContact OE1-NH2 3.45Å; E301-R328 IonicContact OE2-CZ 2.75Å; E301-R328 IonicContact OE2-NE 2.92Å; E301-R328 PolarHBondContact OE2-NE 2.8Å; E301-R328 IonicContact OE2-NH2 3.49Å; E301-R328 PolarHBondContact OE2-NH2 3.04Å; L324-R328 WeakPolarHBondContact O-CB 3.33Å; L324-R328 PolarHBondContact O-N 2.86Å; I325-R328 PolarHBondContact O-N 3.39Å; R326-R328 VanDerWaalsContact C-N 3.35Å
329I96.9Very high95.4Very high30 Ų3027.6 Ų27.615%0.15414%0.141CC..Hα-helixtrans-87.4-44.3-171-64172.5000111.8L219 N246 E249 L250 I325 R326 E327L219-I329 HydrophobicContact CD2-CG2 3.99Å; N246-I329 HydrophobicContact CB-CD1 3.98Å; N246-I329 HydrophobicContact CB-CG1 4.3Å; N246-I329 HydrophobicContact CB-CG2 4.4Å; N246-I329 VanDerWaalsContact O-CD1 3.29Å; N246-I329 WeakPolarHBondContact O-CD1 3.5Å; E249-I329 HydrophobicContact CB-CD1 4.14Å; L250-I329 HydrophobicContact CB-CD1 3.92Å; L250-I329 HydrophobicContact CB-CG2 4.47Å; L250-I329 HydrophobicContact CD2-CG2 3.99Å; I325-I329 HydrophobicContact CG2-CD1 3.67Å; I325-I329 WeakPolarHBondContact O-CB 3.45Å; I325-I329 VanDerWaalsContact O-CG1 3.29Å; I325-I329 WeakPolarHBondContact O-CG1 3.39Å; I325-I329 PolarHBondContact O-N 3.08Å; R326-I329 PolarHBondContact O-N 3.33Å; E327-I329 PolarHBondContact O-N 3.39Å
330L96.6Very high95.4Very high12 Ų1225 Ų256%0.06313%0.132CC..Hα-helixtrans-88.6-25.6-178.1-56.7-172000112.8M215 V223 L250 R326 H334 D336M215-L330 HydrophobicContact CE-CD2 3.56Å; M215-L330 HydrophobicContact SD-CD2 3.5Å; M215-L330 VanDerWaalsContact SD-CD2 3.5Å; V223-L330 HydrophobicContact CG2-CD1 4.01Å; V223-L330 HydrophobicContact CG2-CD2 3.89Å; L250-L330 HydrophobicContact CD1-CD1 4.31Å; L250-L330 HydrophobicContact CD1-CD2 4.36Å; L250-L330 HydrophobicContact CD1-CG 4.13Å; L250-L330 HydrophobicContact CD2-CD2 3.72Å; L250-L330 HydrophobicContact CD2-CG 4.38Å; R326-L330 HydrophobicContact CG-CD1 3.54Å; R326-L330 HydrophobicContact CG-CG 4.04Å; R326-L330 VanDerWaalsContact O-CB 3.28Å; R326-L330 WeakPolarHBondContact O-CB 3.39Å; R326-L330 PolarHBondContact O-N 3.37Å; L330-H334 HydrophobicContact CB-CB 3.73Å; L330-H334 WeakPolarHBondContact O-CB 3.28Å; L330-D336 HydrophobicContact CD1-CB 4.12Å
331G94.3Very high95.5Very high16 Ų1625.1 Ų25.117%0.16513%0.132CC..  trans77173.5-17300000113.7E327 S333 T337E327-G331 WeakPolarHBondContact O-CA 3.29Å; E327-G331 PolarHBondContact O-N 3.17Å; G331-S333 VanDerWaalsContact C-N 3.35Å; G331-T337 WeakPolarHBondContact O-CB 3.32Å; G331-T337 PolarHBondContact O-OG1 3.24Å
332P92.3Very high95.4Very high52 Ų5226.6 Ų26.634%0.33814%0.137SC..THydrogen-bonded Turntrans-77.3-17.4-176.330.7-36.5000114.2M367P332-M367 HydrophobicContact CB-CE 4.24Å; P332-M367 HydrophobicContact CB-CG 3.44Å; P332-M367 VanDerWaalsContact CB-CG 3.44Å; P332-M367 HydrophobicContact CB-SD 3.83Å
333S90.2Very high95.2Very high64 Ų6429 Ų2945%0.44815%0.147SC..THydrogen-bonded Turntrans-82.3-22.1179.655.50000113.3G331G331-S333 VanDerWaalsContact C-N 3.35Å
334H94.1Very high95.2Very high14 Ų1429.4 Ų29.47%0.06515%0.148CC..SBendtrans-71.5133179.3-170.8-71000110.6L330 D336 T337L330-H334 HydrophobicContact CB-CB 3.73Å; L330-H334 WeakPolarHBondContact O-CB 3.28Å; H334-D336 VanDerWaalsContact C-N 3.34Å; H334-D336 IonicContact CE1-OD1 2.88Å; H334-D336 WeakPolarHBondContact ND1-CB 3.34Å; H334-D336 PolarHBondContact ND1-N 3.07Å; H334-D336 VanDerWaalsContact ND1-N 3.12Å; H334-D336 PolarHBondContact O-N 2.89Å; H334-T337 PolarHBondContact O-N 3.18Å
335P91.7Very high95.1Very high35 Ų3528.6 Ų28.623%0.22714%0.144CC..Hα-helixtrans-59.7-40.3-172.921.1-33.7000113.9T337 S338 Y339 M378P335-T337 VanDerWaalsContact C-N 3.25Å; P335-T337 PolarHBondContact O-N 3.26Å; P335-S338 PolarHBondContact O-N 3.29Å; P335-S338 PolarHBondContact O-OG 3Å; P335-S338 VanDerWaalsContact O-OG 3.11Å; P335-Y339 WeakPolarHBondContact O-CB 3.4Å; P335-Y339 PolarHBondContact O-N 2.97Å; P335-M378 HydrophobicContact CB-CE 3.61Å; P335-M378 HydrophobicContact CB-SD 3.89Å
336D94.3Very high94.8Very high39 Ų3930.1 Ų30.121%0.20916%0.157CC..Hα-helixtrans-60.3-29.2179.9-7739.4000114.1V223 L330 H334 Y339 Y340V223-D336 HydrophobicContact CG1-CB 4.5Å; V223-D336 WeakPolarHBondContact CG1-OD2 3.38Å; L330-D336 HydrophobicContact CD1-CB 4.12Å; H334-D336 VanDerWaalsContact C-N 3.34Å; H334-D336 IonicContact CE1-OD1 2.88Å; H334-D336 WeakPolarHBondContact ND1-CB 3.34Å; H334-D336 PolarHBondContact ND1-N 3.07Å; H334-D336 VanDerWaalsContact ND1-N 3.12Å; H334-D336 PolarHBondContact O-N 2.89Å; D336-Y339 PolarHBondContact O-N 3.43Å; D336-Y340 HydrophobicContact CB-CD2 4.07Å; D336-Y340 HydrophobicContact CB-CE2 4.12Å; D336-Y340 VanDerWaalsContact O-CD2 3.24Å; D336-Y340 WeakPolarHBondContact O-CD2 3.48Å; D336-Y340 PolarHBondContact O-N 3.49Å
337T95.8Very high94.5Very high1 Ų131.4 Ų31.41%0.00617%0.165CC..Hα-helixtrans-60.7-57.6178.6-53.40000109.7E327 G331 H334 P335 Y339 Y340 I341 M367E327-T337 HydrophobicContact CB-CG2 3.98Å; E327-T337 HydrophobicContact CG-CG2 4.15Å; G331-T337 WeakPolarHBondContact O-CB 3.32Å; G331-T337 PolarHBondContact O-OG1 3.24Å; H334-T337 PolarHBondContact O-N 3.18Å; P335-T337 VanDerWaalsContact C-N 3.25Å; P335-T337 PolarHBondContact O-N 3.26Å; T337-Y339 VanDerWaalsContact C-N 3.3Å; T337-Y339 PolarHBondContact O-N 2.96Å; T337-Y340 PolarHBondContact O-N 3.45Å; T337-I341 HydrophobicContact CG2-CD1 4.18Å; T337-I341 WeakPolarHBondContact O-CD1 3.43Å; T337-I341 VanDerWaalsContact O-CG1 3.23Å; T337-I341 WeakPolarHBondContact O-CG1 3.34Å; T337-I341 PolarHBondContact O-N 3.26Å; T337-M367 HydrophobicContact CG2-CE 4.01Å; T337-M367 HydrophobicContact CG2-SD 3.69Å
338S94.4Very high94.4Very high4 Ų430 Ų303%0.02816%0.158CC..Hα-helixtrans-65-32.3176.972.80000113P335 R342 Q368P335-S338 PolarHBondContact O-N 3.29Å; P335-S338 PolarHBondContact O-OG 3Å; P335-S338 VanDerWaalsContact O-OG 3.11Å; S338-R342 WeakPolarHBondContact O-CG 3.46Å; S338-R342 PolarHBondContact O-N 3.47Å; S338-R342 VanDerWaalsContact O-N 3.12Å; S338-Q368 PolarHBondContact OG-NE2 3Å
339Y94.6Very high94.1Very high120 Ų12027.6 Ų27.647%0.47115%0.152SC..Hα-helixtrans-63.2-51.1176.7177.3-92.7000111.7P335 D336 T337 I341 R342 Y343P335-Y339 WeakPolarHBondContact O-CB 3.4Å; P335-Y339 PolarHBondContact O-N 2.97Å; D336-Y339 PolarHBondContact O-N 3.43Å; T337-Y339 VanDerWaalsContact C-N 3.3Å; T337-Y339 PolarHBondContact O-N 2.96Å; Y339-I341 PolarHBondContact O-N 3.32Å; Y339-R342 PolarHBondContact O-N 3.26Å; Y339-Y343 WeakPolarHBondContact O-CB 3.41Å; Y339-Y343 PolarHBondContact O-N 3.02Å
340Y96.5Very high93.6Very high13 Ų1333 Ų335%0.05118%0.181CC..Hα-helixtrans-71.6-29.7-177.3-77.6-66.1000113D257 K258 R326 D336 T337 Y343 R344D257-Y340 HydrophobicContact CB-CD1 3.39Å; D257-Y340 HydrophobicContact CB-CE1 3.62Å; D257-Y340 HydrophobicContact CB-CG 4.16Å; K258-Y340 HydrophobicContact CB-CE1 4.34Å; R326-Y340 VanDerWaalsContact NE-CD2 3.33Å; D336-Y340 HydrophobicContact CB-CD2 4.07Å; D336-Y340 HydrophobicContact CB-CE2 4.12Å; D336-Y340 VanDerWaalsContact O-CD2 3.24Å; D336-Y340 WeakPolarHBondContact O-CD2 3.48Å; D336-Y340 PolarHBondContact O-N 3.49Å; T337-Y340 PolarHBondContact O-N 3.45Å; Y340-Y343 HydrophobicContact CD1-CD1 4.14Å; Y340-Y343 PolarHBondContact O-N 3.44Å; Y340-R344 VanDerWaalsContact O-CB 3.3Å; Y340-R344 WeakPolarHBondContact O-CB 3.33Å; Y340-R344 PolarHBondContact O-N 2.98Å
341I96.9Very high93.2Very high2 Ų237 Ų371%0.0121%0.209CC..Hα-helixtrans-61.3-46.2169.4-62.6162.5000110.1Y296 L323 T337 Y339 R344 G345 L360 Y363 A364 M367Y296-I341 HydrophobicContact CE1-CG1 4.28Å; Y296-I341 WeakPolarHBondContact OH-CD1 3.36Å; L323-I341 HydrophobicContact CD2-CG1 4.08Å; T337-I341 HydrophobicContact CG2-CD1 4.18Å; T337-I341 WeakPolarHBondContact O-CD1 3.43Å; T337-I341 VanDerWaalsContact O-CG1 3.23Å; T337-I341 WeakPolarHBondContact O-CG1 3.34Å; T337-I341 PolarHBondContact O-N 3.26Å; Y339-I341 PolarHBondContact O-N 3.32Å; I341-R344 PolarHBondContact O-N 2.96Å; I341-G345 PolarHBondContact O-N 2.93Å; I341-L360 HydrophobicContact CG2-CB 3.99Å; I341-L360 HydrophobicContact CG2-CD2 3.98Å; I341-L360 WeakPolarHBondContact CG2-O 3.26Å; I341-Y363 HydrophobicContact CD1-CD1 4.18Å; I341-Y363 HydrophobicContact CD1-CE1 4.25Å; I341-A364 HydrophobicContact CB-CB 4.08Å; I341-A364 HydrophobicContact CG2-CB 3.79Å; I341-M367 HydrophobicContact CD1-CE 3.7Å; I341-M367 HydrophobicContact CD1-SD 4.12Å
342R95.4Very high92.7Very high32 Ų3237.6 Ų37.612%0.12122%0.216CC..Hα-helixtrans-65-45176.3-71.8-175.7-58.8179.67.5112.2S338 Y339 R344 G345 A346 W361 A364 M378 S382S338-R342 WeakPolarHBondContact O-CG 3.46Å; S338-R342 PolarHBondContact O-N 3.47Å; S338-R342 VanDerWaalsContact O-N 3.12Å; Y339-R342 PolarHBondContact O-N 3.26Å; R342-R344 VanDerWaalsContact C-N 3.31Å; R342-R344 PolarHBondContact O-N 3.27Å; R342-G345 WeakPolarHBondContact O-CA 3.37Å; R342-G345 PolarHBondContact O-N 3.16Å; R342-G345 VanDerWaalsContact O-N 3.13Å; R342-A346 PolarHBondContact O-N 2.78Å; R342-W361 HydrophobicContact CG-CG 4.37Å; R342-W361 PolarHBondContact O-NE1 2.9Å; R342-A364 HydrophobicContact CG-CB 3.87Å; R342-M378 PolarHBondContact NH1-O 3.05Å; R342-S382 WeakPolarHBondContact CD-OG 3.29Å; R342-S382 PolarHBondContact NH1-OG 2.62Å
343Y94.3Very high92.6Very high51 Ų5138.5 Ų38.520%0.222%0.218CC..Hα-helixtrans-56.6-46.3176.1172.5-105.8000111.3D257 R260 Y339 Y340 G345 A346 V347D257-Y343 WeakPolarHBondContact O-CE1 3.48Å; R260-Y343 VanDerWaalsContact CZ-OH 3.31Å; R260-Y343 PolarHBondContact NE-OH 3.17Å; R260-Y343 PolarHBondContact NH2-OH 3.24Å; Y339-Y343 WeakPolarHBondContact O-CB 3.41Å; Y339-Y343 PolarHBondContact O-N 3.02Å; Y340-Y343 HydrophobicContact CD1-CD1 4.14Å; Y340-Y343 PolarHBondContact O-N 3.44Å; Y343-G345 VanDerWaalsContact C-N 3.32Å; Y343-G345 PolarHBondContact O-N 2.88Å; Y343-A346 WeakPolarHBondContact O-CB 3.34Å; Y343-A346 PolarHBondContact O-N 3.24Å; Y343-A346 VanDerWaalsContact O-N 3.16Å; Y343-V347 HydrophobicContact CE1-CG2 4.01Å; Y343-V347 HydrophobicContact CE2-CG2 4.04Å; Y343-V347 WeakPolarHBondContact O-CG2 3.49Å; Y343-V347 PolarHBondContact O-N 3.03Å
344R96.3Very high92.4Very high11 Ų1136.1 Ų36.14%0.04220%0.2CC..Hα-helixtrans-61.8-41.2176.6-177.356.458.8-163.31.7111.8D257 R319 M320 L323 Y340 I341 R342 A346 V347 Y348 L360D257-R344 IonicContact OD1-CZ 2.84Å; D257-R344 IonicContact OD1-NE 3.9Å; D257-R344 IonicContact OD1-NH2 3.91Å; D257-R344 PolarHBondContact OD1-NH2 3.4Å; R319-R344 VanDerWaalsContact CD-NH1 3.34Å; R319-R344 VanDerWaalsContact CG-CZ 3.42Å; M320-R344 HydrophobicContact CE-CG 4.26Å; L323-R344 HydrophobicContact CD1-CB 4.42Å; L323-R344 HydrophobicContact CD1-CG 4.19Å; L323-R344 HydrophobicContact CD2-CB 4.45Å; Y340-R344 VanDerWaalsContact O-CB 3.3Å; Y340-R344 WeakPolarHBondContact O-CB 3.33Å; Y340-R344 PolarHBondContact O-N 2.98Å; I341-R344 PolarHBondContact O-N 2.96Å; R342-R344 VanDerWaalsContact C-N 3.31Å; R342-R344 PolarHBondContact O-N 3.27Å; R344-A346 VanDerWaalsContact C-N 3.34Å; R344-A346 PolarHBondContact O-N 2.95Å; R344-V347 PolarHBondContact O-N 3.32Å; R344-Y348 HydrophobicContact CG-CD2 4.05Å; R344-Y348 HydrophobicContact CG-CE2 3.63Å; R344-Y348 VanDerWaalsContact O-CD2 3.22Å; R344-Y348 WeakPolarHBondContact O-CD2 3.42Å; R344-Y348 PolarHBondContact O-N 3.28Å; R344-Y348 VanDerWaalsContact O-N 3.12Å; R344-L360 HydrophobicContact CB-CD1 4.43Å; R344-L360 HydrophobicContact CG-CD1 4.03Å
345G94.6Very high92.2Very high0 Ų043 Ų430%023%0.229CC..Hα-helixtrans-57.4-45.5172.600000112.5I341 R342 Y343 V347 Y348 A349 C357I341-G345 PolarHBondContact O-N 2.93Å; R342-G345 WeakPolarHBondContact O-CA 3.37Å; R342-G345 PolarHBondContact O-N 3.16Å; R342-G345 VanDerWaalsContact O-N 3.13Å; Y343-G345 VanDerWaalsContact C-N 3.32Å; Y343-G345 PolarHBondContact O-N 2.88Å; G345-V347 PolarHBondContact O-N 3.32Å; G345-Y348 WeakPolarHBondContact O-CB 3.42Å; G345-Y348 PolarHBondContact O-N 2.57Å; G345-Y348 VanDerWaalsContact O-N 3.12Å; G345-A349 PolarHBondContact O-N 3.46Å; G345-C357 WeakPolarHBondContact O-CB 3.39Å; G345-C357 PolarHBondContact O-SG 3.29Å
346A91.4Very high92.2Very high32 Ų3243.3 Ų43.326%0.26423%0.226SC..Hα-helixtrans-60.8-43177.200000112.2R342 Y343 R344 Y348 A349 D350 W361R342-A346 PolarHBondContact O-N 2.78Å; Y343-A346 WeakPolarHBondContact O-CB 3.34Å; Y343-A346 PolarHBondContact O-N 3.24Å; Y343-A346 VanDerWaalsContact O-N 3.16Å; R344-A346 VanDerWaalsContact C-N 3.34Å; R344-A346 PolarHBondContact O-N 2.95Å; A346-Y348 VanDerWaalsContact C-N 3.26Å; A346-Y348 PolarHBondContact O-N 2.99Å; A346-A349 WeakPolarHBondContact O-CA 3.41Å; A346-A349 WeakPolarHBondContact O-CB 3.32Å; A346-A349 PolarHBondContact O-N 3.41Å; A346-D350 PolarHBondContact O-N 3.42Å; A346-W361 HydrophobicContact CB-CZ2 4.27Å
347V92.3Very high92.2Very high31 Ų3141.5 Ų41.519%0.18822%0.216CC..Hα-helixtrans-60-36.5175.3174.60000111.9Y343 R344 G345 S351Y343-V347 HydrophobicContact CE1-CG2 4.01Å; Y343-V347 HydrophobicContact CE2-CG2 4.04Å; Y343-V347 WeakPolarHBondContact O-CG2 3.49Å; Y343-V347 PolarHBondContact O-N 3.03Å; R344-V347 PolarHBondContact O-N 3.32Å; G345-V347 PolarHBondContact O-N 3.32Å; V347-S351 PolarHBondContact O-N 3.01Å; V347-S351 PolarHBondContact O-OG 3.38Å
348Y92.6Very high92Very high9 Ų941.8 Ų41.84%0.03522%0.218CC..Hα-helixtrans-70.1-37.2173.4-76-58000112.6D316 M320 R344 G345 A346 S351 G352 N353 R356 L360D316-Y348 VanDerWaalsContact OD1-CE1 3.28Å; D316-Y348 WeakPolarHBondContact OD1-CE1 3.34Å; D316-Y348 PolarHBondContact OD1-OH 2.89Å; M320-Y348 HydrophobicContact CE-CE2 4.22Å; R344-Y348 HydrophobicContact CG-CD2 4.05Å; R344-Y348 HydrophobicContact CG-CE2 3.63Å; R344-Y348 VanDerWaalsContact O-CD2 3.22Å; R344-Y348 WeakPolarHBondContact O-CD2 3.42Å; R344-Y348 PolarHBondContact O-N 3.28Å; R344-Y348 VanDerWaalsContact O-N 3.12Å; G345-Y348 WeakPolarHBondContact O-CB 3.42Å; G345-Y348 PolarHBondContact O-N 2.57Å; G345-Y348 VanDerWaalsContact O-N 3.12Å; A346-Y348 VanDerWaalsContact C-N 3.26Å; A346-Y348 PolarHBondContact O-N 2.99Å; Y348-S351 CarbonylContact O-C 3.45Å; Y348-S351 PolarHBondContact O-N 3.21Å; Y348-G352 PolarHBondContact O-N 3.01Å; Y348-N353 WeakPolarHBondContact O-CA 3.46Å; Y348-N353 PolarHBondContact O-N 3.5Å; Y348-R356 HydrophobicContact CD2-CB 4.35Å; Y348-R356 HydrophobicContact CD2-CG 3.76Å; Y348-R356 HydrophobicContact CE2-CG 3.96Å; Y348-R356 HydrophobicContact CG-CB 4.25Å; Y348-R356 HydrophobicContact CG-CG 4.08Å; Y348-R356 VanDerWaalsContact OH-CZ 3.29Å; Y348-L360 HydrophobicContact CD2-CD1 3.66Å; Y348-L360 HydrophobicContact CE2-CD1 3.89Å
349A89.5Confident91.9Very high12 Ų1243.9 Ų43.910%0.09923%0.228CC..Hα-helixtrans-63.5-41.9174.300000111.9G345 A346 S351 G352 F354 C357 L389G345-A349 PolarHBondContact O-N 3.46Å; A346-A349 WeakPolarHBondContact O-CA 3.41Å; A346-A349 WeakPolarHBondContact O-CB 3.32Å; A346-A349 PolarHBondContact O-N 3.41Å; A349-S351 PolarHBondContact O-N 2.95Å; A349-G352 WeakPolarHBondContact O-CA 3.28Å; A349-G352 PolarHBondContact O-N 2.77Å; A349-F354 HydrophobicContact CB-CD1 4Å; A349-F354 HydrophobicContact CB-CE1 4.13Å; A349-C357 HydrophobicContact CB-CB 3.95Å; A349-L389 HydrophobicContact CB-CD1 4.36Å
350D87.3Confident92Very high143 Ų14338.1 Ų38.177%0.76521%0.206SC*.Hα-helixtrans-60-28.5174.7-67.4-18.7000112.1A346 G352A346-D350 PolarHBondContact O-N 3.42Å; D350-G352 VanDerWaalsContact C-N 3.3Å
351S87.7Confident92Very high95 Ų9538.7 Ų38.766%0.66421%0.208SC*.THydrogen-bonded Turntrans-86.84.3175.1-51.30000113.4V347 Y348 A349V347-S351 PolarHBondContact O-N 3.01Å; V347-S351 PolarHBondContact O-OG 3.38Å; Y348-S351 CarbonylContact O-C 3.45Å; Y348-S351 PolarHBondContact O-N 3.21Å; A349-S351 PolarHBondContact O-N 2.95Å
352G85.1Confident91.9Very high30 Ų3040.8 Ų40.831%0.30922%0.217SC..THydrogen-bonded Turntrans82.91.3-17800000115.5Y348 A349 D350 F354Y348-G352 PolarHBondContact O-N 3.01Å; A349-G352 WeakPolarHBondContact O-CA 3.28Å; A349-G352 PolarHBondContact O-N 2.77Å; D350-G352 VanDerWaalsContact C-N 3.3Å; G352-F354 WeakPolarHBondContact O-CD2 3.29Å; G352-F354 PolarHBondContact O-N 3.02Å
353N88.8Confident91.9Very high70 Ų7042 Ų4237%0.37422%0.222SC..  trans-90.770178.9-167.4-14.6000111.7Y348 K355 R356 C357Y348-N353 WeakPolarHBondContact O-CA 3.46Å; Y348-N353 PolarHBondContact O-N 3.5Å; N353-K355 VanDerWaalsContact C-N 3.31Å; N353-K355 PolarHBondContact O-N 3.46Å; N353-R356 PolarHBondContact O-N 3.04Å; N353-R356 WeakPolarHBondContact OD1-CB 3.49Å; N353-R356 PolarHBondContact OD1-N 3.33Å; N353-R356 VanDerWaalsContact OD1-N 3.17Å; N353-C357 PolarHBondContact O-N 3Å
354F87.6Confident91.9Very high15 Ų1539.6 Ų39.67%0.06621%0.213CC..Hα-helixtrans-64.2-32.8-179-59.6-72.2000113.5A349 G352 R356 C357 I358 L389 M393 L402 T404A349-F354 HydrophobicContact CB-CD1 4Å; A349-F354 HydrophobicContact CB-CE1 4.13Å; G352-F354 WeakPolarHBondContact O-CD2 3.29Å; G352-F354 PolarHBondContact O-N 3.02Å; F354-R356 PolarHBondContact O-N 3.49Å; F354-C357 WeakPolarHBondContact O-CB 3.48Å; F354-C357 PolarHBondContact O-N 3.07Å; F354-I358 VanDerWaalsContact O-CG1 3.31Å; F354-I358 WeakPolarHBondContact O-CG1 3.1Å; F354-I358 PolarHBondContact O-N 3.29Å; F354-L389 HydrophobicContact CD1-CD1 4.23Å; F354-L389 HydrophobicContact CE1-CD1 4.33Å; F354-M393 HydrophobicContact CB-CE 3.69Å; F354-M393 HydrophobicContact CB-SD 4.11Å; F354-M393 HydrophobicContact CD1-CE 4.09Å; F354-M393 HydrophobicContact CD1-CG 4.06Å; F354-M393 HydrophobicContact CD1-SD 3.75Å; F354-M393 HydrophobicContact CD2-CE 3.99Å; F354-M393 HydrophobicContact CE1-CG 4.04Å; F354-M393 HydrophobicContact CE1-SD 4.36Å; F354-M393 HydrophobicContact CG-CE 3.65Å; F354-M393 HydrophobicContact CG-CG 4.5Å; F354-M393 HydrophobicContact CG-SD 3.94Å; F354-M393 HydrophobicContact CZ-CG 4.47Å; F354-L402 HydrophobicContact CE2-CD1 4.43Å; F354-T404 VanDerWaalsContact CD2-OG1 3.24Å; F354-T404 WeakPolarHBondContact CD2-OG1 3.29Å
355K89.3Confident91.9Very high157 Ų15739.1 Ų39.168%0.68321%0.211SC*.Hα-helixtrans-61.4-44.3178.8-172.8174.5-179.1178.10111.3N353 I358 N359N353-K355 VanDerWaalsContact C-N 3.31Å; N353-K355 PolarHBondContact O-N 3.46Å; K355-I358 PolarHBondContact O-N 3.04Å; K355-N359 PolarHBondContact O-N 3.31Å; K355-N359 VanDerWaalsContact O-N 3.1Å
356R91.4Very high91.8Very high43 Ų4342.1 Ų42.116%0.16223%0.227CC..Hα-helixtrans-66.7-39.3176.5-163.3166-171.2165.16.2111.6D316 M320 Y348 N353 F354 N359 L360D316-R356 IonicContact OD2-NH1 3.88Å; M320-R356 PolarHBondContact SD-NH2 2.66Å; M320-R356 VanDerWaalsContact SD-NH2 3.38Å; Y348-R356 HydrophobicContact CD2-CB 4.35Å; Y348-R356 HydrophobicContact CD2-CG 3.76Å; Y348-R356 HydrophobicContact CE2-CG 3.96Å; Y348-R356 HydrophobicContact CG-CB 4.25Å; Y348-R356 HydrophobicContact CG-CG 4.08Å; Y348-R356 VanDerWaalsContact OH-CZ 3.29Å; N353-R356 PolarHBondContact O-N 3.04Å; N353-R356 WeakPolarHBondContact OD1-CB 3.49Å; N353-R356 PolarHBondContact OD1-N 3.33Å; N353-R356 VanDerWaalsContact OD1-N 3.17Å; F354-R356 PolarHBondContact O-N 3.49Å; R356-N359 PolarHBondContact O-N 2.96Å; R356-L360 HydrophobicContact CG-CD1 4.21Å; R356-L360 WeakPolarHBondContact O-CG 3.34Å; R356-L360 PolarHBondContact O-N 3.24Å
357C93.4Very high91.9Very high0 Ų041.1 Ų41.10%022%0.217CC..Hα-helixtrans-56.5-52.8172.8-178.90000112.1G345 A349 N353 F354 N359 L360 W361G345-C357 WeakPolarHBondContact O-CB 3.39Å; G345-C357 PolarHBondContact O-SG 3.29Å; A349-C357 HydrophobicContact CB-CB 3.95Å; N353-C357 PolarHBondContact O-N 3Å; F354-C357 WeakPolarHBondContact O-CB 3.48Å; F354-C357 PolarHBondContact O-N 3.07Å; C357-N359 VanDerWaalsContact C-N 3.33Å; C357-N359 PolarHBondContact O-N 2.89Å; C357-L360 PolarHBondContact O-N 3.4Å; C357-W361 WeakPolarHBondContact O-CB 3.33Å; C357-W361 PolarHBondContact O-N 3.31Å
358I91.9Very high92Very high7 Ų739.8 Ų39.84%0.03621%0.209CC..Hα-helixtrans-60.3-43.3-178.1-68.5164.7000110.8F354 K355 W361 K362 F390F354-I358 VanDerWaalsContact O-CG1 3.31Å; F354-I358 WeakPolarHBondContact O-CG1 3.1Å; F354-I358 PolarHBondContact O-N 3.29Å; K355-I358 PolarHBondContact O-N 3.04Å; I358-W361 PolarHBondContact O-N 3.08Å; I358-K362 HydrophobicContact CG2-CD 3.87Å; I358-K362 HydrophobicContact CG2-CG 4.28Å; I358-K362 VanDerWaalsContact O-CB 3.29Å; I358-K362 WeakPolarHBondContact O-CB 3.47Å; I358-K362 VanDerWaalsContact O-CG 3.28Å; I358-K362 WeakPolarHBondContact O-CG 3.4Å; I358-K362 PolarHBondContact O-N 3.4Å; I358-F390 HydrophobicContact CD1-CE1 4.04Å; I358-F390 HydrophobicContact CG1-CE1 4.24Å
359N93.7Very high91.9Very high48 Ų4839.9 Ų39.926%0.25721%0.209SC..Hα-helixtrans-63.4-46.3178.7-72.9-13.4000112.5K355 R356 C357 K362 Y363K355-N359 PolarHBondContact O-N 3.31Å; K355-N359 VanDerWaalsContact O-N 3.1Å; R356-N359 PolarHBondContact O-N 2.96Å; C357-N359 VanDerWaalsContact C-N 3.33Å; C357-N359 PolarHBondContact O-N 2.89Å; N359-K362 PolarHBondContact O-N 3.07Å; N359-Y363 PolarHBondContact O-N 2.91Å
360L96.1Very high92.1Very high0 Ų043.9 Ų43.90%024%0.236CC..Hα-helixtrans-62.3-45.7176.8-76.3165.2000111.5A295 Y296 L323 I341 R344 Y348 R356 C357 K362 Y363 A364A295-L360 HydrophobicContact CB-CD2 4.34Å; A295-L360 VanDerWaalsContact O-CD2 3.29Å; A295-L360 WeakPolarHBondContact O-CD2 3.35Å; Y296-L360 HydrophobicContact CD1-CD2 4.02Å; Y296-L360 HydrophobicContact CE1-CD2 4.11Å; L323-L360 HydrophobicContact CD1-CD2 3.85Å; I341-L360 HydrophobicContact CG2-CB 3.99Å; I341-L360 HydrophobicContact CG2-CD2 3.98Å; I341-L360 WeakPolarHBondContact CG2-O 3.26Å; R344-L360 HydrophobicContact CB-CD1 4.43Å; R344-L360 HydrophobicContact CG-CD1 4.03Å; Y348-L360 HydrophobicContact CD2-CD1 3.66Å; Y348-L360 HydrophobicContact CE2-CD1 3.89Å; R356-L360 HydrophobicContact CG-CD1 4.21Å; R356-L360 WeakPolarHBondContact O-CG 3.34Å; R356-L360 PolarHBondContact O-N 3.24Å; C357-L360 PolarHBondContact O-N 3.4Å; L360-K362 PolarHBondContact O-N 2.91Å; L360-Y363 PolarHBondContact O-N 3.02Å; L360-A364 PolarHBondContact O-N 2.85Å
361W95.9Very high92.2Very high24 Ų2440.7 Ų40.79%0.09122%0.219CC..Hα-helixtrans-68.1-35.7179.6-72.818.1000112.5R342 A346 C357 I358 Y363 A364 L365 S385 F386 L389R342-W361 HydrophobicContact CG-CG 4.37Å; R342-W361 PolarHBondContact O-NE1 2.9Å; A346-W361 HydrophobicContact CB-CZ2 4.27Å; C357-W361 WeakPolarHBondContact O-CB 3.33Å; C357-W361 PolarHBondContact O-N 3.31Å; I358-W361 PolarHBondContact O-N 3.08Å; W361-Y363 VanDerWaalsContact C-N 3.32Å; W361-A364 PolarHBondContact O-N 3.31Å; W361-L365 WeakPolarHBondContact O-CB 3.32Å; W361-L365 PolarHBondContact O-N 3.33Å; W361-S385 VanDerWaalsContact CZ3-C 3.43Å; W361-S385 WeakPolarHBondContact CZ3-O 3.27Å; W361-F386 VanDerWaalsContact C-CZ 3.48Å; W361-F386 HydrophobicContact CB-CE1 3.69Å; W361-F386 HydrophobicContact CB-CE2 3.67Å; W361-F386 HydrophobicContact CB-CZ 3.15Å; W361-F386 AromaticContact CE3-CD1 3.77Å; W361-F386 HydrophobicContact CE3-CD1 3.77Å; W361-F386 HydrophobicContact CE3-CD2 4.16Å; W361-F386 AromaticContact CE3-CE1 3.89Å; W361-F386 HydrophobicContact CE3-CE1 3.89Å; W361-F386 HydrophobicContact CE3-CE2 4.28Å; W361-F386 AromaticContact CE3-CG 3.93Å; W361-F386 HydrophobicContact CE3-CG 3.93Å; W361-F386 HydrophobicContact CE3-CZ 4.18Å; W361-F386 HydrophobicContact CG-CZ 4.27Å; W361-F386 HydrophobicContact CZ3-CD1 4.42Å; W361-F386 HydrophobicContact CZ3-CG 4.46Å; W361-L389 HydrophobicContact CE3-CD2 4.15Å; W361-L389 HydrophobicContact CH2-CB 4.24Å; W361-L389 HydrophobicContact CH2-CD2 4.17Å; W361-L389 HydrophobicContact CZ3-CB 3.9Å; W361-L389 HydrophobicContact CZ3-CD2 3.76Å; W361-L389 HydrophobicContact CZ3-CG 4.45Å
362K94.4Very high92.2Very high47 Ų4738 Ų3820%0.20420%0.197CC..Hα-helixtrans-61.3-45.7175.2-83.7176.5172.7174.60109.7I358 N359 L360 L365 D366 F386 D410 I414I358-K362 HydrophobicContact CG2-CD 3.87Å; I358-K362 HydrophobicContact CG2-CG 4.28Å; I358-K362 VanDerWaalsContact O-CB 3.29Å; I358-K362 WeakPolarHBondContact O-CB 3.47Å; I358-K362 VanDerWaalsContact O-CG 3.28Å; I358-K362 WeakPolarHBondContact O-CG 3.4Å; I358-K362 PolarHBondContact O-N 3.4Å; N359-K362 PolarHBondContact O-N 3.07Å; L360-K362 PolarHBondContact O-N 2.91Å; K362-L365 PolarHBondContact O-N 2.97Å; K362-D366 PolarHBondContact O-N 3.06Å; K362-F386 HydrophobicContact CG-CZ 4.15Å; K362-D410 IonicContact NZ-OD1 3.84Å; K362-D410 PolarHBondContact NZ-OD1 3.26Å; K362-I414 HydrophobicContact CG-CD1 4.12Å
363Y95.6Very high92.3Very high58 Ų5842.4 Ų42.423%0.22721%0.214CC..Hα-helixtrans-62.2-44.7175.7-175.3-108.3000112.8I293 A295 Y296 E327 I341 N359 L360 W361 L365 D366 M367I293-Y363 HydrophobicContact CD1-CE1 4.26Å; I293-Y363 WeakPolarHBondContact CD1-OH 3.4Å; I293-Y363 HydrophobicContact CG1-CE2 4.37Å; I293-Y363 HydrophobicContact CG2-CD1 4.18Å; I293-Y363 HydrophobicContact CG2-CD2 3.94Å; I293-Y363 HydrophobicContact CG2-CE1 3.95Å; I293-Y363 HydrophobicContact CG2-CE2 3.7Å; I293-Y363 HydrophobicContact CG2-CG 4.19Å; A295-Y363 HydrophobicContact CB-CD1 4.32Å; A295-Y363 HydrophobicContact CB-CG 3.92Å; Y296-Y363 HydrophobicContact CE1-CD1 4.19Å; Y296-Y363 HydrophobicContact CE1-CE1 4.25Å; Y296-Y363 HydrophobicContact CE2-CE1 4.23Å; Y296-Y363 AromaticContact CZ-CE1 3.71Å; Y296-Y363 WeakPolarHBondContact OH-CE1 3.45Å; E327-Y363 PolarHBondContact OE1-OH 3.39Å; E327-Y363 PolarHBondContact OE2-OH 3.06Å; I341-Y363 HydrophobicContact CD1-CD1 4.18Å; I341-Y363 HydrophobicContact CD1-CE1 4.25Å; N359-Y363 PolarHBondContact O-N 2.91Å; L360-Y363 PolarHBondContact O-N 3.02Å; W361-Y363 VanDerWaalsContact C-N 3.32Å; Y363-L365 VanDerWaalsContact C-N 3.31Å; Y363-L365 PolarHBondContact O-N 3.44Å; Y363-D366 PolarHBondContact O-N 3.12Å; Y363-M367 HydrophobicContact CD1-CE 4.33Å; Y363-M367 HydrophobicContact CE1-CE 3.54Å; Y363-M367 WeakPolarHBondContact O-CB 3.14Å; Y363-M367 PolarHBondContact O-N 3.01Å
364A95.6Very high92.3Very high0 Ų039.9 Ų39.90%020%0.201CC..Hα-helixtrans-62-37.8175.700000112.8I341 R342 L360 W361 M367 Q368I341-A364 HydrophobicContact CB-CB 4.08Å; I341-A364 HydrophobicContact CG2-CB 3.79Å; R342-A364 HydrophobicContact CG-CB 3.87Å; L360-A364 PolarHBondContact O-N 2.85Å; W361-A364 PolarHBondContact O-N 3.31Å; A364-M367 WeakPolarHBondContact O-CB 3.36Å; A364-Q368 VanDerWaalsContact O-CG 3.29Å; A364-Q368 WeakPolarHBondContact O-CG 3.25Å; A364-Q368 PolarHBondContact O-N 3.49Å
365L94.8Very high92.3Very high0 Ų039.5 Ų39.50%020%0.2CC..Hα-helixtrans-68.2-42.7177.1179.561.1000111.3W361 K362 Y363 M367 Q368 Q369 T379 L383 F386 I414 K417W361-L365 WeakPolarHBondContact O-CB 3.32Å; W361-L365 PolarHBondContact O-N 3.33Å; K362-L365 PolarHBondContact O-N 2.97Å; Y363-L365 VanDerWaalsContact C-N 3.31Å; Y363-L365 PolarHBondContact O-N 3.44Å; L365-M367 VanDerWaalsContact C-N 3.32Å; L365-M367 PolarHBondContact O-N 2.91Å; L365-Q368 PolarHBondContact O-N 3.48Å; L365-Q369 HydrophobicContact CD1-CG 4.24Å; L365-Q369 WeakPolarHBondContact O-CG 3.47Å; L365-Q369 PolarHBondContact O-N 2.7Å; L365-T379 HydrophobicContact CD1-CG2 3.83Å; L365-L383 HydrophobicContact CD1-CD2 3.87Å; L365-L383 HydrophobicContact CD1-CG 4.15Å; L365-L383 HydrophobicContact CD2-CD2 3.55Å; L365-L383 HydrophobicContact CG-CD2 4.37Å; L365-F386 HydrophobicContact CB-CE2 4.39Å; L365-F386 HydrophobicContact CD2-CD2 4.45Å; L365-F386 HydrophobicContact CD2-CE2 4.01Å; L365-I414 HydrophobicContact CD2-CD1 4.1Å; L365-K417 HydrophobicContact CD2-CB 4.05Å; L365-K417 HydrophobicContact CD2-CD 3.49Å; L365-K417 VanDerWaalsContact CD2-CD 3.49Å; L365-K417 HydrophobicContact CD2-CG 4.42Å; L365-K417 HydrophobicContact CG-CD 4.1Å
366D94.3Very high92.2Very high64 Ų6433 Ų3334%0.34217%0.174SC..Hα-helixtrans-61-42174.6-78.4-35000112.2K362 Y363 Q368 Q369 S370 K417K362-D366 PolarHBondContact O-N 3.06Å; Y363-D366 PolarHBondContact O-N 3.12Å; D366-Q368 PolarHBondContact O-N 2.7Å; D366-Q369 PolarHBondContact O-N 3.32Å; D366-S370 WeakPolarHBondContact O-CB 3.39Å; D366-S370 PolarHBondContact O-N 3.26Å; D366-S370 PolarHBondContact O-OG 3Å; D366-K417 IonicContact OD1-NZ 3.27Å; D366-K417 PolarHBondContact OD1-NZ 2.97Å; D366-K417 IonicContact OD2-NZ 3.93Å; D366-K417 PolarHBondContact OD2-NZ 3.28Å
367M92.9Very high92.1Very high10 Ų1034.8 Ų34.85%0.04919%0.191CC..Hα-helixtrans-58.9-46.5173.4-174.7-175.3-72.100111.4E327 P332 T337 I341 Y363 A364 L365 S370 N371E327-M367 HydrophobicContact CG-CE 4.21Å; P332-M367 HydrophobicContact CB-CE 4.24Å; P332-M367 HydrophobicContact CB-CG 3.44Å; P332-M367 VanDerWaalsContact CB-CG 3.44Å; P332-M367 HydrophobicContact CB-SD 3.83Å; T337-M367 HydrophobicContact CG2-CE 4.01Å; T337-M367 HydrophobicContact CG2-SD 3.69Å; I341-M367 HydrophobicContact CD1-CE 3.7Å; I341-M367 HydrophobicContact CD1-SD 4.12Å; Y363-M367 HydrophobicContact CD1-CE 4.33Å; Y363-M367 HydrophobicContact CE1-CE 3.54Å; Y363-M367 WeakPolarHBondContact O-CB 3.14Å; Y363-M367 PolarHBondContact O-N 3.01Å; A364-M367 WeakPolarHBondContact O-CB 3.36Å; L365-M367 VanDerWaalsContact C-N 3.32Å; L365-M367 PolarHBondContact O-N 2.91Å; M367-S370 PolarHBondContact O-N 2.95Å; M367-N371 PolarHBondContact O-N 3.32Å; M367-N371 PolarHBondContact O-ND2 3.28Å
368Q93.4Very high91.8Very high3 Ų337.2 Ų37.21%0.01420%0.203CC..Hα-helixtrans-65-47178.3-74.2172.2-16.300112.3S338 A364 L365 D366 S370 N371 L372 S382S338-Q368 PolarHBondContact OG-NE2 3Å; A364-Q368 VanDerWaalsContact O-CG 3.29Å; A364-Q368 WeakPolarHBondContact O-CG 3.25Å; A364-Q368 PolarHBondContact O-N 3.49Å; L365-Q368 PolarHBondContact O-N 3.48Å; D366-Q368 PolarHBondContact O-N 2.7Å; Q368-S370 PolarHBondContact O-N 3.05Å; Q368-N371 PolarHBondContact O-N 3.41Å; Q368-L372 HydrophobicContact CB-CD1 4.04Å; Q368-L372 HydrophobicContact CG-CD1 4.03Å; Q368-L372 VanDerWaalsContact O-CB 3.26Å; Q368-L372 WeakPolarHBondContact O-CB 3.5Å; Q368-L372 PolarHBondContact O-N 3.43Å; Q368-S382 PolarHBondContact NE2-OG 3.4Å; Q368-S382 PolarHBondContact OE1-OG 3.29Å
369Q92.3Very high91.7Very high12 Ų1236.9 Ų36.96%0.05620%0.201CC..Hα-helixtrans-65.2-26.8179.9-68.5-169-6100112.8L365 D366 T379 K417 E421 R424L365-Q369 HydrophobicContact CD1-CG 4.24Å; L365-Q369 WeakPolarHBondContact O-CG 3.47Å; L365-Q369 PolarHBondContact O-N 2.7Å; D366-Q369 PolarHBondContact O-N 3.32Å; Q369-T379 HydrophobicContact CG-CG2 3.99Å; Q369-K417 PolarHBondContact NE2-O 3.37Å; Q369-E421 PolarHBondContact NE2-OE2 2.93Å; Q369-R424 PolarHBondContact O-NH1 2.93Å; Q369-R424 PolarHBondContact O-NH2 3.01Å
370S92.5Very high91.6Very high95 Ų9535 Ų3566%0.66419%0.193SC*.Hα-helixtrans-81.6-27.2178.9-56.20000113.5D366 M367 Q368D366-S370 WeakPolarHBondContact O-CB 3.39Å; D366-S370 PolarHBondContact O-N 3.26Å; D366-S370 PolarHBondContact O-OG 3Å; M367-S370 PolarHBondContact O-N 2.95Å; Q368-S370 PolarHBondContact O-N 3.05Å
371N90.1Very high91.3Very high76 Ų7637.2 Ų37.241%0.40621%0.208SC..Hα-helixtrans-118-12-168.8-62.9-81.6000114.5M367 Q368M367-N371 PolarHBondContact O-N 3.32Å; M367-N371 PolarHBondContact O-ND2 3.28Å; Q368-N371 PolarHBondContact O-N 3.41Å
372L87.6Confident91.1Very high38 Ų3836.1 Ų36.120%0.19920%0.204CC..SBendtrans-111.1154.4179.1-58.1177.7000111.6Q368 M378 R424Q368-L372 HydrophobicContact CB-CD1 4.04Å; Q368-L372 HydrophobicContact CG-CD1 4.03Å; Q368-L372 VanDerWaalsContact O-CB 3.26Å; Q368-L372 WeakPolarHBondContact O-CB 3.5Å; Q368-L372 PolarHBondContact O-N 3.43Å; L372-M378 HydrophobicContact CD1-CB 3.96Å; L372-M378 HydrophobicContact CD1-SD 4.17Å; L372-R424 PolarHBondContact O-NH2 3.27Å
373D87.4Confident91.1Very high124 Ų12434.1 Ų34.166%0.66320%0.196SC*.  trans-59.7147.9171.7-67.3-43000111.3S376D373-S376 VanDerWaalsContact O-CB 3.29Å; D373-S376 WeakPolarHBondContact O-CB 3.11Å; D373-S376 PolarHBondContact O-N 3.23Å
374P87.7Confident91Very high17 Ų1732 Ų3211%0.1119%0.189CC..THydrogen-bonded Turntrans-55.3145.1176.4-23.636000112S376 E421 R424 A425 Q428P374-S376 PolarHBondContact O-N 2.95Å; P374-E421 WeakPolarHBondContact CA-OE1 3.4Å; P374-R424 HydrophobicContact CB-CB 3.96Å; P374-R424 HydrophobicContact CG-CB 3.77Å; P374-A425 HydrophobicContact CB-CB 3.92Å; P374-Q428 HydrophobicContact CG-CG 4.32Å
375L87.3Confident90.8Very high7 Ų733.5 Ų33.54%0.03720%0.199CC..THydrogen-bonded Turntrans64.611.9-177.9-55.3173.2000114.8E421 I422 A425 P433 Q437 L438 A441L375-E421 HydrophobicContact CD2-CG 4.36Å; L375-E421 PolarHBondContact N-OE1 3.39Å; L375-I422 HydrophobicContact CD2-CD1 4.04Å; L375-A425 HydrophobicContact CD1-CB 3.63Å; L375-A425 HydrophobicContact CD2-CB 4.3Å; L375-A425 HydrophobicContact CG-CB 3.68Å; L375-P433 HydrophobicContact CD1-CB 3.51Å; L375-Q437 HydrophobicContact CB-CB 4.14Å; L375-Q437 PolarHBondContact O-OE1 3.16Å; L375-L438 HydrophobicContact CD1-CB 3.95Å; L375-L438 HydrophobicContact CD1-CD1 4.09Å; L375-L438 HydrophobicContact CD2-CD1 4.24Å; L375-A441 HydrophobicContact CD2-CB 3.76Å
376S88.8Confident90.7Very high19 Ų1933.6 Ų33.613%0.13320%0.199CC..  trans-46.5133.5175.4172.80000111.5D373 P374 M378 T379 A380D373-S376 VanDerWaalsContact O-CB 3.29Å; D373-S376 WeakPolarHBondContact O-CB 3.11Å; D373-S376 PolarHBondContact O-N 3.23Å; P374-S376 PolarHBondContact O-N 2.95Å; S376-M378 PolarHBondContact O-N 3.41Å; S376-M378 PolarHBondContact OG-N 3.09Å; S376-T379 WeakPolarHBondContact O-CB 3.31Å; S376-T379 PolarHBondContact O-N 3.5Å; S376-A380 PolarHBondContact O-N 3.29Å
377P88.1Confident90.5Very high81 Ų8130.5 Ų30.553%0.52618%0.183SC..Hα-helixtrans-53.6-29178.4-28.334.9000113.5S381P377-S381 WeakPolarHBondContact O-CB 3.31Å; P377-S381 PolarHBondContact O-N 3.03Å
378M86.8Confident90.4Very high51 Ų5132 Ų3225%0.25119%0.19SC..Hα-helixtrans-67.8-45.6177.1-64.9-171.859.600112.4P335 R342 L372 S376 S381 S382P335-M378 HydrophobicContact CB-CE 3.61Å; P335-M378 HydrophobicContact CB-SD 3.89Å; R342-M378 PolarHBondContact NH1-O 3.05Å; L372-M378 HydrophobicContact CD1-CB 3.96Å; L372-M378 HydrophobicContact CD1-SD 4.17Å; S376-M378 PolarHBondContact O-N 3.41Å; S376-M378 PolarHBondContact OG-N 3.09Å; M378-S381 WeakPolarHBondContact O-CB 3.45Å; M378-S381 PolarHBondContact O-N 3.27Å; M378-S382 PolarHBondContact O-N 2.71Å; M378-S382 PolarHBondContact O-OG 2.91Å
379T90.8Very high90.2Very high0 Ų032.8 Ų32.80%019%0.194CC..Hα-helixtrans-64.1-46.5176.4-510000110.2L365 Q369 S376 S381 S382 L383 E421L365-T379 HydrophobicContact CD1-CG2 3.83Å; Q369-T379 HydrophobicContact CG-CG2 3.99Å; S376-T379 WeakPolarHBondContact O-CB 3.31Å; S376-T379 PolarHBondContact O-N 3.5Å; T379-S381 VanDerWaalsContact C-N 3.28Å; T379-S381 PolarHBondContact O-N 3.27Å; T379-S382 WeakPolarHBondContact O-CB 3.42Å; T379-S382 PolarHBondContact O-N 3.18Å; T379-S382 VanDerWaalsContact O-N 3.07Å; T379-L383 HydrophobicContact CG2-CD1 4.41Å; T379-L383 WeakPolarHBondContact O-CG 3.29Å; T379-L383 PolarHBondContact O-N 3.23Å; T379-E421 HydrophobicContact CG2-CG 4.35Å
380A90.8Very high90Very high9 Ų932.2 Ų32.27%0.07419%0.191CC..Hα-helixtrans-59.1-39.8175.800000111.9S376 L383 L384 I444S376-A380 PolarHBondContact O-N 3.29Å; A380-L383 PolarHBondContact O-N 2.9Å; A380-L384 WeakPolarHBondContact O-CB 3.35Å; A380-L384 PolarHBondContact O-N 3.38Å; A380-I444 HydrophobicContact CB-CD1 4.33Å; A380-I444 VanDerWaalsContact O-CD1 3.32Å; A380-I444 WeakPolarHBondContact O-CD1 3.37Å
381S90.4Very high89.8Confident47 Ų4727.9 Ų27.933%0.32916%0.161SC..Hα-helixtrans-63.5-40.5174.2-1740000112.5P377 M378 T379 L384 S385P377-S381 WeakPolarHBondContact O-CB 3.31Å; P377-S381 PolarHBondContact O-N 3.03Å; M378-S381 WeakPolarHBondContact O-CB 3.45Å; M378-S381 PolarHBondContact O-N 3.27Å; T379-S381 VanDerWaalsContact C-N 3.28Å; T379-S381 PolarHBondContact O-N 3.27Å; S381-L384 PolarHBondContact O-N 2.88Å; S381-S385 PolarHBondContact O-N 3.03Å; S381-S385 PolarHBondContact O-OG 3.39Å
382S92.6Very high89.6Confident1 Ų129.2 Ų29.21%0.00716%0.163CC..Hα-helixtrans-61.3-48.2175.5-68.10000111.9R342 Q368 M378 T379 L384 S385 F386R342-S382 WeakPolarHBondContact CD-OG 3.29Å; R342-S382 PolarHBondContact NH1-OG 2.62Å; Q368-S382 PolarHBondContact NE2-OG 3.4Å; Q368-S382 PolarHBondContact OE1-OG 3.29Å; M378-S382 PolarHBondContact O-N 2.71Å; M378-S382 PolarHBondContact O-OG 2.91Å; T379-S382 WeakPolarHBondContact O-CB 3.42Å; T379-S382 PolarHBondContact O-N 3.18Å; T379-S382 VanDerWaalsContact O-N 3.07Å; S382-L384 VanDerWaalsContact C-N 3.31Å; S382-L384 PolarHBondContact O-N 3.04Å; S382-S385 PolarHBondContact O-N 2.83Å; S382-F386 WeakPolarHBondContact O-CD2 3.04Å; S382-F386 PolarHBondContact O-N 3.22Å; S382-F386 VanDerWaalsContact O-N 3.08Å
383L93.8Very high89.4Confident5 Ų528.2 Ų28.23%0.02616%0.158CC..Hα-helixtrans-62.2-40.3-179.4-66.4174.9000111.6L365 T379 A380 F386 A387 I414 S418 I444L365-L383 HydrophobicContact CD1-CD2 3.87Å; L365-L383 HydrophobicContact CD1-CG 4.15Å; L365-L383 HydrophobicContact CD2-CD2 3.55Å; L365-L383 HydrophobicContact CG-CD2 4.37Å; T379-L383 HydrophobicContact CG2-CD1 4.41Å; T379-L383 WeakPolarHBondContact O-CG 3.29Å; T379-L383 PolarHBondContact O-N 3.23Å; A380-L383 PolarHBondContact O-N 2.9Å; L383-F386 WeakPolarHBondContact O-CB 3.4Å; L383-F386 PolarHBondContact O-N 3.23Å; L383-A387 PolarHBondContact O-N 2.86Å; L383-A387 VanDerWaalsContact O-N 3.16Å; L383-I414 HydrophobicContact CD2-CG2 3.96Å; L383-S418 WeakPolarHBondContact CD2-OG 3.5Å; L383-I444 HydrophobicContact CB-CG2 3.93Å
384L92.5Very high89.1Confident14 Ų1423.6 Ų23.67%0.07313%0.133CC..Hα-helixtrans-64.1-45.2174.6179.159.3000111.9A380 S381 S382 F386 A387 E388 I444 V497A380-L384 WeakPolarHBondContact O-CB 3.35Å; A380-L384 PolarHBondContact O-N 3.38Å; S381-L384 PolarHBondContact O-N 2.88Å; S382-L384 VanDerWaalsContact C-N 3.31Å; S382-L384 PolarHBondContact O-N 3.04Å; L384-F386 VanDerWaalsContact C-N 3.25Å; L384-F386 PolarHBondContact O-N 3.21Å; L384-A387 WeakPolarHBondContact O-CB 3.32Å; L384-A387 PolarHBondContact O-N 3.13Å; L384-E388 HydrophobicContact CD1-CG 4.35Å; L384-E388 HydrophobicContact CG-CG 4.48Å; L384-E388 WeakPolarHBondContact O-CG 3.39Å; L384-E388 PolarHBondContact O-N 2.75Å; L384-I444 HydrophobicContact CB-CD1 3.95Å; L384-I444 HydrophobicContact CB-CG1 4.21Å; L384-I444 HydrophobicContact CD1-CG1 4.34Å; L384-V497 HydrophobicContact CD1-CB 4.26Å; L384-V497 HydrophobicContact CD1-CG1 3.83Å; L384-V497 HydrophobicContact CD2-CG1 4.44Å; L384-V497 WeakPolarHBondContact CD2-O 3.39Å
385S91.2Very high88.6Confident31 Ų3127.5 Ų27.522%0.21715%0.15CC..Hα-helixtrans-58.9-38.1177.6-62.40000111.9W361 S381 S382 E388 L389W361-S385 VanDerWaalsContact CZ3-C 3.43Å; W361-S385 WeakPolarHBondContact CZ3-O 3.27Å; S381-S385 PolarHBondContact O-N 3.03Å; S381-S385 PolarHBondContact O-OG 3.39Å; S382-S385 PolarHBondContact O-N 2.83Å; S385-E388 PolarHBondContact O-N 2.84Å; S385-L389 WeakPolarHBondContact O-CB 3.43Å; S385-L389 PolarHBondContact O-N 2.84Å
386F92.6Very high87.4Confident1 Ų128.5 Ų28.50%0.00416%0.155CC..Hα-helixtrans-59.8-46.7171.2-87.2-70.7000112.5W361 K362 L365 S382 L383 L384 E388 L389 F390 I414W361-F386 VanDerWaalsContact C-CZ 3.48Å; W361-F386 HydrophobicContact CB-CE1 3.69Å; W361-F386 HydrophobicContact CB-CE2 3.67Å; W361-F386 HydrophobicContact CB-CZ 3.15Å; W361-F386 AromaticContact CE3-CD1 3.77Å; W361-F386 HydrophobicContact CE3-CD1 3.77Å; W361-F386 HydrophobicContact CE3-CD2 4.16Å; W361-F386 AromaticContact CE3-CE1 3.89Å; W361-F386 HydrophobicContact CE3-CE1 3.89Å; W361-F386 HydrophobicContact CE3-CE2 4.28Å; W361-F386 AromaticContact CE3-CG 3.93Å; W361-F386 HydrophobicContact CE3-CG 3.93Å; W361-F386 HydrophobicContact CE3-CZ 4.18Å; W361-F386 HydrophobicContact CG-CZ 4.27Å; W361-F386 HydrophobicContact CZ3-CD1 4.42Å; W361-F386 HydrophobicContact CZ3-CG 4.46Å; K362-F386 HydrophobicContact CG-CZ 4.15Å; L365-F386 HydrophobicContact CB-CE2 4.39Å; L365-F386 HydrophobicContact CD2-CD2 4.45Å; L365-F386 HydrophobicContact CD2-CE2 4.01Å; S382-F386 WeakPolarHBondContact O-CD2 3.04Å; S382-F386 PolarHBondContact O-N 3.22Å; S382-F386 VanDerWaalsContact O-N 3.08Å; L383-F386 WeakPolarHBondContact O-CB 3.4Å; L383-F386 PolarHBondContact O-N 3.23Å; L384-F386 VanDerWaalsContact C-N 3.25Å; L384-F386 PolarHBondContact O-N 3.21Å; F386-E388 VanDerWaalsContact C-N 3.31Å; F386-E388 PolarHBondContact O-N 2.81Å; F386-L389 PolarHBondContact O-N 3.04Å; F386-F390 HydrophobicContact CB-CD2 4.38Å; F386-F390 HydrophobicContact CB-CE2 4.06Å; F386-F390 AromaticContact CD1-CE2 3.86Å; F386-F390 HydrophobicContact CD1-CE2 3.86Å; F386-F390 AromaticContact CD1-CZ 3.78Å; F386-F390 HydrophobicContact CD1-CZ 3.78Å; F386-F390 HydrophobicContact CE1-CZ 4.36Å; F386-F390 HydrophobicContact CG-CE2 4.38Å; F386-F390 WeakPolarHBondContact O-CB 3.43Å; F386-F390 WeakPolarHBondContact O-CD2 3.46Å; F386-F390 VanDerWaalsContact O-CG 3.29Å; F386-F390 WeakPolarHBondContact O-CG 3.39Å; F386-F390 PolarHBondContact O-N 2.89Å; F386-I414 HydrophobicContact CB-CG1 4.45Å; F386-I414 HydrophobicContact CB-CG2 3.99Å; F386-I414 HydrophobicContact CD1-CD1 4.05Å; F386-I414 HydrophobicContact CD1-CG1 3.91Å; F386-I414 HydrophobicContact CD2-CD1 3.97Å; F386-I414 HydrophobicContact CD2-CG1 4.33Å; F386-I414 HydrophobicContact CD2-CG2 4.3Å; F386-I414 HydrophobicContact CE1-CD1 3.8Å; F386-I414 HydrophobicContact CE1-CG1 4.1Å; F386-I414 HydrophobicContact CE2-CD1 3.71Å; F386-I414 HydrophobicContact CG-CD1 4.1Å; F386-I414 HydrophobicContact CG-CG1 4.01Å; F386-I414 HydrophobicContact CG-CG2 4.19Å; F386-I414 HydrophobicContact CZ-CD1 3.57Å; F386-I414 HydrophobicContact CZ-CG1 4.35Å
387A92.1Very high85.8Confident0 Ų034.2 Ų34.20%017%0.174CC..Hα-helixtrans-61.7-40178.300000111.9L383 L384 S391 L448 L451 V502L383-A387 PolarHBondContact O-N 2.86Å; L383-A387 VanDerWaalsContact O-N 3.16Å; L384-A387 WeakPolarHBondContact O-CB 3.32Å; L384-A387 PolarHBondContact O-N 3.13Å; A387-S391 WeakPolarHBondContact O-CB 3.35Å; A387-S391 PolarHBondContact O-N 2.87Å; A387-L448 HydrophobicContact CB-CD2 3.84Å; A387-L448 HydrophobicContact CB-CG 4.41Å; A387-L451 HydrophobicContact CB-CD1 4.47Å; A387-L451 WeakPolarHBondContact O-CD1 3.37Å; A387-V502 HydrophobicContact CB-CG1 4.29Å; A387-V502 HydrophobicContact CB-CG2 4.38Å
388E90.6Very high84.2Confident41 Ų4134.8 Ų34.819%0.19219%0.185CC..Hα-helixtrans-63.2-48174.2-69176.415700111.6L384 S385 F386 S391 F392 V502L384-E388 HydrophobicContact CD1-CG 4.35Å; L384-E388 HydrophobicContact CG-CG 4.48Å; L384-E388 WeakPolarHBondContact O-CG 3.39Å; L384-E388 PolarHBondContact O-N 2.75Å; S385-E388 PolarHBondContact O-N 2.84Å; F386-E388 VanDerWaalsContact C-N 3.31Å; F386-E388 PolarHBondContact O-N 2.81Å; E388-S391 PolarHBondContact O-N 3.46Å; E388-F392 PolarHBondContact O-N 3.05Å; E388-V502 HydrophobicContact CB-CG2 4.48Å; E388-V502 HydrophobicContact CG-CG2 3.86Å
389L87.8Confident82.8Confident19 Ų1939.2 Ų39.210%0.09920%0.203CC..Hα-helixtrans-60.3-47.9178179.165.2000111.9A349 F354 W361 S385 F386 S391 F392 M393A349-L389 HydrophobicContact CB-CD1 4.36Å; F354-L389 HydrophobicContact CD1-CD1 4.23Å; F354-L389 HydrophobicContact CE1-CD1 4.33Å; W361-L389 HydrophobicContact CE3-CD2 4.15Å; W361-L389 HydrophobicContact CH2-CB 4.24Å; W361-L389 HydrophobicContact CH2-CD2 4.17Å; W361-L389 HydrophobicContact CZ3-CB 3.9Å; W361-L389 HydrophobicContact CZ3-CD2 3.76Å; W361-L389 HydrophobicContact CZ3-CG 4.45Å; S385-L389 WeakPolarHBondContact O-CB 3.43Å; S385-L389 PolarHBondContact O-N 2.84Å; F386-L389 PolarHBondContact O-N 3.04Å; L389-S391 VanDerWaalsContact C-N 3.34Å; L389-S391 PolarHBondContact O-N 2.91Å; L389-F392 WeakPolarHBondContact O-CB 3.42Å; L389-F392 PolarHBondContact O-N 3.44Å; L389-M393 HydrophobicContact CD1-CG 4.46Å; L389-M393 HydrophobicContact CD1-SD 4.42Å; L389-M393 HydrophobicContact CG-SD 4.18Å; L389-M393 WeakPolarHBondContact O-CG 3.49Å; L389-M393 PolarHBondContact O-N 3.16Å
390F89.4Confident81Confident0 Ų042.7 Ų42.70%024%0.239CC..Hα-helixtrans-66.6-36.2179.4-65.1-40.4000112.4I358 F386 M393 L394 V406 D410 L411 I414 L451I358-F390 HydrophobicContact CD1-CE1 4.04Å; I358-F390 HydrophobicContact CG1-CE1 4.24Å; F386-F390 HydrophobicContact CB-CD2 4.38Å; F386-F390 HydrophobicContact CB-CE2 4.06Å; F386-F390 AromaticContact CD1-CE2 3.86Å; F386-F390 HydrophobicContact CD1-CE2 3.86Å; F386-F390 AromaticContact CD1-CZ 3.78Å; F386-F390 HydrophobicContact CD1-CZ 3.78Å; F386-F390 HydrophobicContact CE1-CZ 4.36Å; F386-F390 HydrophobicContact CG-CE2 4.38Å; F386-F390 WeakPolarHBondContact O-CB 3.43Å; F386-F390 WeakPolarHBondContact O-CD2 3.46Å; F386-F390 VanDerWaalsContact O-CG 3.29Å; F386-F390 WeakPolarHBondContact O-CG 3.39Å; F386-F390 PolarHBondContact O-N 2.89Å; F390-M393 HydrophobicContact CD1-SD 4.49Å; F390-M393 PolarHBondContact O-N 3.2Å; F390-L394 WeakPolarHBondContact O-CB 3.46Å; F390-L394 VanDerWaalsContact O-CG 3.28Å; F390-L394 WeakPolarHBondContact O-CG 3.26Å; F390-L394 PolarHBondContact O-N 3.26Å; F390-V406 HydrophobicContact CD1-CG1 3.68Å; F390-V406 HydrophobicContact CD1-CG2 4.01Å; F390-V406 HydrophobicContact CE1-CG1 4.12Å; F390-V406 HydrophobicContact CG-CG1 4.2Å; F390-D410 HydrophobicContact CE1-CB 4.37Å; F390-D410 HydrophobicContact CZ-CB 4.26Å; F390-L411 HydrophobicContact CB-CD2 4.11Å; F390-L411 HydrophobicContact CB-CG 4.41Å; F390-L411 HydrophobicContact CD2-CD2 3.4Å; F390-L411 VanDerWaalsContact CD2-CD2 3.4Å; F390-L411 HydrophobicContact CD2-CG 3.8Å; F390-L411 HydrophobicContact CE2-CD2 4Å; F390-L411 HydrophobicContact CE2-CG 4.15Å; F390-L411 HydrophobicContact CG-CD2 3.95Å; F390-L411 HydrophobicContact CG-CG 4.06Å; F390-I414 HydrophobicContact CE2-CB 4.34Å; F390-I414 HydrophobicContact CE2-CG1 3.84Å; F390-I414 HydrophobicContact CZ-CG1 4.16Å; F390-L451 HydrophobicContact CB-CD1 3.96Å
391S88.8Confident79.1Confident5 Ų547.9 Ų47.94%0.03527%0.265CS..Hα-helixtrans-61.2-46.3172.6-170.70000111.4A387 E388 L389 L394 Q395 V502A387-S391 WeakPolarHBondContact O-CB 3.35Å; A387-S391 PolarHBondContact O-N 2.87Å; E388-S391 PolarHBondContact O-N 3.46Å; L389-S391 VanDerWaalsContact C-N 3.34Å; L389-S391 PolarHBondContact O-N 2.91Å; S391-L394 PolarHBondContact O-N 3.01Å; S391-Q395 WeakPolarHBondContact O-CG 3.28Å; S391-Q395 PolarHBondContact O-N 3.46Å; S391-Q395 PolarHBondContact OG-NE2 2.99Å; S391-V502 PolarHBondContact OG-O 2.99Å
392F85.4Confident77.2Confident104 Ų10450.6 Ų50.646%0.45628%0.275SS..Hα-helixtrans-58.9-49.9177.6177.4-97.6000111.6E388 L389 L394 Q395 D396E388-F392 PolarHBondContact O-N 3.05Å; L389-F392 WeakPolarHBondContact O-CB 3.42Å; L389-F392 PolarHBondContact O-N 3.44Å; F392-L394 VanDerWaalsContact C-N 3.3Å; F392-L394 PolarHBondContact O-N 3.01Å; F392-Q395 PolarHBondContact O-N 2.54Å; F392-Q395 VanDerWaalsContact O-N 3.12Å; F392-D396 VanDerWaalsContact CZ-OD2 3.31Å; F392-D396 WeakPolarHBondContact CZ-OD2 3.48Å; F392-D396 PolarHBondContact O-N 3.27Å
393M83.1Confident75.2Confident16 Ų1654.6 Ų54.68%0.07932%0.317CS..Hα-helixtrans-60.8-36.3178.4-68.7177.970.600112.9F354 L389 F390 R397 V406F354-M393 HydrophobicContact CB-CE 3.69Å; F354-M393 HydrophobicContact CB-SD 4.11Å; F354-M393 HydrophobicContact CD1-CE 4.09Å; F354-M393 HydrophobicContact CD1-CG 4.06Å; F354-M393 HydrophobicContact CD1-SD 3.75Å; F354-M393 HydrophobicContact CD2-CE 3.99Å; F354-M393 HydrophobicContact CE1-CG 4.04Å; F354-M393 HydrophobicContact CE1-SD 4.36Å; F354-M393 HydrophobicContact CG-CE 3.65Å; F354-M393 HydrophobicContact CG-CG 4.5Å; F354-M393 HydrophobicContact CG-SD 3.94Å; F354-M393 HydrophobicContact CZ-CG 4.47Å; L389-M393 HydrophobicContact CD1-CG 4.46Å; L389-M393 HydrophobicContact CD1-SD 4.42Å; L389-M393 HydrophobicContact CG-SD 4.18Å; L389-M393 WeakPolarHBondContact O-CG 3.49Å; L389-M393 PolarHBondContact O-N 3.16Å; F390-M393 HydrophobicContact CD1-SD 4.49Å; F390-M393 PolarHBondContact O-N 3.2Å; M393-R397 PolarHBondContact O-N 3.37Å; M393-V406 HydrophobicContact CB-CG2 3.47Å; M393-V406 VanDerWaalsContact CB-CG2 3.47Å; M393-V406 HydrophobicContact CE-CG2 3.82Å; M393-V406 HydrophobicContact CG-CG2 4.27Å; M393-V406 HydrophobicContact SD-CG2 3.86Å
394L81.1Confident73.5Confident27 Ų2757.6 Ų57.614%0.14134%0.335CS..Hα-helixtrans-72.7-30.2176.6-73.2170.7000113.1F390 S391 F392 V406 L451 K454 V455F390-L394 WeakPolarHBondContact O-CB 3.46Å; F390-L394 VanDerWaalsContact O-CG 3.28Å; F390-L394 WeakPolarHBondContact O-CG 3.26Å; F390-L394 PolarHBondContact O-N 3.26Å; S391-L394 PolarHBondContact O-N 3.01Å; F392-L394 VanDerWaalsContact C-N 3.3Å; F392-L394 PolarHBondContact O-N 3.01Å; L394-V406 HydrophobicContact CD2-CB 4.41Å; L394-V406 HydrophobicContact CG-CG2 4.31Å; L394-L451 HydrophobicContact CD1-CB 4.33Å; L394-L451 HydrophobicContact CD1-CD2 4.07Å; L394-K454 HydrophobicContact CD1-CB 4.49Å; L394-V455 HydrophobicContact CD1-CG2 4.26Å; L394-V455 HydrophobicContact CD2-CG2 4.03Å
395Q76.6Confident72.4Confident99 Ų9961 Ų6146%0.46336%0.357SS..Hα-helixtrans-75-39.9176.5-72.5176.223.800112.5S391 F392 R397 A398S391-Q395 WeakPolarHBondContact O-CG 3.28Å; S391-Q395 PolarHBondContact O-N 3.46Å; S391-Q395 PolarHBondContact OG-NE2 2.99Å; F392-Q395 PolarHBondContact O-N 2.54Å; F392-Q395 VanDerWaalsContact O-N 3.12Å; Q395-R397 VanDerWaalsContact C-N 3.28Å; Q395-R397 PolarHBondContact O-N 3.4Å; Q395-A398 WeakPolarHBondContact O-CB 3.44Å; Q395-A398 PolarHBondContact O-N 3.25Å
396D62.6Low71.8Confident29 Ų2960 Ų6016%0.15535%0.35CS..Hα-helixtrans-67.6-28.8177.9-93.41.6000112.6F392 A398 K399 G400F392-D396 VanDerWaalsContact CZ-OD2 3.31Å; F392-D396 WeakPolarHBondContact CZ-OD2 3.48Å; F392-D396 PolarHBondContact O-N 3.27Å; D396-A398 PolarHBondContact O-N 3.37Å; D396-K399 WeakPolarHBondContact O-CA 3.3Å; D396-K399 PolarHBondContact O-N 3.45Å; D396-K399 IonicContact OD1-NZ 2.69Å; D396-G400 PolarHBondContact O-N 3.37Å
397R55.2Low71.5Confident138 Ų13862.6 Ų62.652%0.52137%0.366SS..Hα-helixtrans-56.5-36.5168.1-170.8-176.5-179.1-166.81112.5M393 Q395 K399 G400M393-R397 PolarHBondContact O-N 3.37Å; Q395-R397 VanDerWaalsContact C-N 3.28Å; Q395-R397 PolarHBondContact O-N 3.4Å; R397-K399 PolarHBondContact O-N 3.35Å; R397-G400 PolarHBondContact O-N 2.89Å
398A54.9Low71.3Confident93 Ų9363.1 Ų63.177%0.76937%0.368SS*.THydrogen-bonded Turntrans-70.6-15.6177.300000112.9Q395 D396Q395-A398 WeakPolarHBondContact O-CB 3.44Å; Q395-A398 PolarHBondContact O-N 3.25Å; D396-A398 PolarHBondContact O-N 3.37Å
399K56.5Low71.3Confident144 Ų14466.3 Ų66.363%0.62639%0.386SS*.THydrogen-bonded Turntrans-100.6-0.9178.4-62.8177.7-175165.30113.7D396 R397 L401D396-K399 WeakPolarHBondContact O-CA 3.3Å; D396-K399 PolarHBondContact O-N 3.45Å; D396-K399 IonicContact OD1-NZ 2.69Å; R397-K399 PolarHBondContact O-N 3.35Å; K399-L401 VanDerWaalsContact C-N 3.27Å; K399-L401 PolarHBondContact O-N 3.13Å
400G52.6Low71.4Confident73 Ų7367 Ų6775%0.75339%0.39SS*.THydrogen-bonded Turntrans73.310.717600000115.4D396 R397D396-G400 PolarHBondContact O-N 3.37Å; R397-G400 PolarHBondContact O-N 2.89Å
401L51.1Low71.5Confident118 Ų11867 Ų6762%0.61839%0.39SS*.  trans-102.8128.6172.6-81.1105.8000109.8K399K399-L401 VanDerWaalsContact C-N 3.27Å; K399-L401 PolarHBondContact O-N 3.13Å
402L50.7Low71.8Confident104 Ų10466.9 Ų66.955%0.54539%0.389SS..  trans88.3121.6174.9-59.9148.2000116.7F354 T404F354-L402 HydrophobicContact CE2-CD1 4.43Å; L402-T404 VanDerWaalsContact C-N 3.3Å; L402-T404 PolarHBondContact O-N 3.22Å
403G51.2Low72.1Confident86 Ų8663 Ų6389%0.88738%0.379SS*.SBendtrans-84.320.5179.800000115.5
404T58.1Low72.7Confident67 Ų6762.3 Ų62.341%0.41138%0.375SS..  trans-110.8103.5178.135.40000110.5F354 L402F354-T404 VanDerWaalsContact CD2-OG1 3.24Å; F354-T404 WeakPolarHBondContact CD2-OG1 3.29Å; L402-T404 VanDerWaalsContact C-N 3.3Å; L402-T404 PolarHBondContact O-N 3.22Å
405T67.9Low73.4Confident85 Ų8561 Ų6152%0.52137%0.369SS..PPolyproline II helixtrans-86134.2179.653.10000111.1T407T405-T407 PolarHBondContact O-N 3.29Å
406V79.6Confident74.3Confident11 Ų1158.4 Ų58.47%0.06736%0.361CS..PPolyproline II helixtrans-59.2125.6165.1-176.90000108.7F390 M393 L394 L411F390-V406 HydrophobicContact CD1-CG1 3.68Å; F390-V406 HydrophobicContact CD1-CG2 4.01Å; F390-V406 HydrophobicContact CE1-CG1 4.12Å; F390-V406 HydrophobicContact CG-CG1 4.2Å; M393-V406 HydrophobicContact CB-CG2 3.47Å; M393-V406 VanDerWaalsContact CB-CG2 3.47Å; M393-V406 HydrophobicContact CE-CG2 3.82Å; M393-V406 HydrophobicContact CG-CG2 4.27Å; M393-V406 HydrophobicContact SD-CG2 3.86Å; L394-V406 HydrophobicContact CD2-CB 4.41Å; L394-V406 HydrophobicContact CG-CG2 4.31Å; V406-L411 HydrophobicContact CG1-CD1 3.55Å; V406-L411 HydrophobicContact CG1-CG 3.83Å
407T85.9Confident75.8Confident56 Ų5659 Ų5934%0.34436%0.362SS..PPolyproline II helixtrans-87153.9178.371.60000110.8T405 D409 D410 L411T405-T407 PolarHBondContact O-N 3.29Å; T407-D409 PolarHBondContact O-N 3.4Å; T407-D410 PolarHBondContact O-N 3.28Å; T407-D410 WeakPolarHBondContact OG1-CB 3.5Å; T407-D410 PolarHBondContact OG1-N 2.95Å; T407-D410 VanDerWaalsContact OG1-N 3.13Å; T407-D410 PolarHBondContact OG1-OD2 2.95Å; T407-L411 PolarHBondContact O-N 3Å
408F89.2Confident77.7Confident11 Ų1152.5 Ų52.55%0.04834%0.338CS..Hα-helixtrans-55.7-43.9171.5176.1-89.9000110.8D410 L411 M412 L452 V455 C457 Q461 F464 K465F408-D410 VanDerWaalsContact C-N 3.32Å; F408-D410 PolarHBondContact O-N 2.91Å; F408-L411 PolarHBondContact O-N 3.46Å; F408-M412 HydrophobicContact CD1-CB 4.12Å; F408-M412 HydrophobicContact CE1-CB 3.79Å; F408-M412 HydrophobicContact CE1-CG 3.79Å; F408-M412 HydrophobicContact CE1-SD 4.43Å; F408-M412 HydrophobicContact CZ-CB 4.09Å; F408-M412 HydrophobicContact CZ-CG 3.93Å; F408-M412 HydrophobicContact CZ-SD 3.96Å; F408-M412 WeakPolarHBondContact O-CB 3.48Å; F408-M412 PolarHBondContact O-N 2.98Å; F408-L452 HydrophobicContact CD2-CD2 3.88Å; F408-L452 HydrophobicContact CE2-CD2 3.92Å; F408-V455 HydrophobicContact CB-CG1 4.38Å; F408-C457 HydrophobicContact CD2-CB 3.83Å; F408-C457 HydrophobicContact CE2-CB 4.07Å; F408-Q461 HydrophobicContact CD1-CB 3.87Å; F408-Q461 HydrophobicContact CD1-CG 3.62Å; F408-Q461 HydrophobicContact CD2-CB 4.28Å; F408-Q461 HydrophobicContact CE1-CB 3.58Å; F408-Q461 HydrophobicContact CE1-CG 3.67Å; F408-Q461 HydrophobicContact CE2-CB 4.01Å; F408-Q461 HydrophobicContact CG-CB 4.22Å; F408-Q461 HydrophobicContact CG-CG 4.21Å; F408-Q461 HydrophobicContact CZ-CB 3.67Å; F408-Q461 HydrophobicContact CZ-CG 4.28Å; F408-Q461 WeakPolarHBondContact CZ-O 3.29Å; F408-F464 HydrophobicContact CE1-CD1 4.42Å; F408-K465 HydrophobicContact CE2-CB 4.38Å; F408-K465 HydrophobicContact CZ-CB 4.22Å
409D89.6Confident79.6Confident108 Ų10848.4 Ų48.458%0.57830%0.303SS*.Hα-helixtrans-64.6-33.8-176.5-59.7-41.5000113T407 G413T407-D409 PolarHBondContact O-N 3.4Å; D409-G413 PolarHBondContact O-N 3.31Å
410D89.4Confident81.3Confident32 Ų3245 Ų4517%0.17129%0.292CS..Hα-helixtrans-67.3-51.4176.1-71.9-46.1000111.9K362 F390 T407 F408 G413 I414K362-D410 IonicContact NZ-OD1 3.84Å; K362-D410 PolarHBondContact NZ-OD1 3.26Å; F390-D410 HydrophobicContact CE1-CB 4.37Å; F390-D410 HydrophobicContact CZ-CB 4.26Å; T407-D410 PolarHBondContact O-N 3.28Å; T407-D410 WeakPolarHBondContact OG1-CB 3.5Å; T407-D410 PolarHBondContact OG1-N 2.95Å; T407-D410 VanDerWaalsContact OG1-N 3.13Å; T407-D410 PolarHBondContact OG1-OD2 2.95Å; F408-D410 VanDerWaalsContact C-N 3.32Å; F408-D410 PolarHBondContact O-N 2.91Å; D410-G413 PolarHBondContact O-N 3.31Å; D410-I414 WeakPolarHBondContact O-CG1 3.22Å; D410-I414 PolarHBondContact O-N 3.46Å
411L91.6Very high83.2Confident0 Ų041.8 Ų41.80%026%0.257CS..Hα-helixtrans-64.1-44.4177.5-96.9162.6000111.5F390 V406 T407 F408 G413 I414 L415 L448 L451 L452 V455F390-L411 HydrophobicContact CB-CD2 4.11Å; F390-L411 HydrophobicContact CB-CG 4.41Å; F390-L411 HydrophobicContact CD2-CD2 3.4Å; F390-L411 VanDerWaalsContact CD2-CD2 3.4Å; F390-L411 HydrophobicContact CD2-CG 3.8Å; F390-L411 HydrophobicContact CE2-CD2 4Å; F390-L411 HydrophobicContact CE2-CG 4.15Å; F390-L411 HydrophobicContact CG-CD2 3.95Å; F390-L411 HydrophobicContact CG-CG 4.06Å; V406-L411 HydrophobicContact CG1-CD1 3.55Å; V406-L411 HydrophobicContact CG1-CG 3.83Å; T407-L411 PolarHBondContact O-N 3Å; F408-L411 PolarHBondContact O-N 3.46Å; L411-G413 VanDerWaalsContact C-N 3.33Å; L411-G413 PolarHBondContact O-N 3.35Å; L411-I414 PolarHBondContact O-N 3.48Å; L411-L415 PolarHBondContact O-N 3.03Å; L411-L448 HydrophobicContact CD2-CD2 4.1Å; L411-L451 HydrophobicContact CD1-CB 4.29Å; L411-L451 HydrophobicContact CD2-CB 3.94Å; L411-L451 HydrophobicContact CD2-CD1 4.27Å; L411-L452 HydrophobicContact CB-CD2 3.57Å; L411-L452 HydrophobicContact CB-CG 4.01Å; L411-L452 HydrophobicContact CD1-CD2 4.4Å; L411-V455 HydrophobicContact CD1-CG2 3.69Å
412M94.3Very high85.2Confident3 Ų336.1 Ų36.12%0.01523%0.227CC..Hα-helixtrans-64.3-39.7-179.9-169.763.8-165.500111.2F408 I414 L415 C416 L452 F464 K465 T468F408-M412 HydrophobicContact CD1-CB 4.12Å; F408-M412 HydrophobicContact CE1-CB 3.79Å; F408-M412 HydrophobicContact CE1-CG 3.79Å; F408-M412 HydrophobicContact CE1-SD 4.43Å; F408-M412 HydrophobicContact CZ-CB 4.09Å; F408-M412 HydrophobicContact CZ-CG 3.93Å; F408-M412 HydrophobicContact CZ-SD 3.96Å; F408-M412 WeakPolarHBondContact O-CB 3.48Å; F408-M412 PolarHBondContact O-N 2.98Å; M412-I414 VanDerWaalsContact C-N 3.31Å; M412-I414 PolarHBondContact O-N 2.73Å; M412-L415 HydrophobicContact CE-CD2 4.35Å; M412-L415 PolarHBondContact O-N 3.34Å; M412-L415 HydrophobicContact SD-CD2 3.99Å; M412-C416 PolarHBondContact O-N 2.84Å; M412-C416 PolarHBondContact O-SG 3.16Å; M412-C416 VanDerWaalsContact O-SG 3.34Å; M412-L452 HydrophobicContact SD-CD1 4.2Å; M412-F464 HydrophobicContact CE-CD1 3.58Å; M412-F464 HydrophobicContact CE-CE1 3.52Å; M412-F464 HydrophobicContact CE-CG 4.21Å; M412-F464 HydrophobicContact CE-CZ 4.09Å; M412-F464 HydrophobicContact CG-CD1 3.72Å; M412-F464 HydrophobicContact CG-CE1 3.49Å; M412-F464 VanDerWaalsContact CG-CE1 3.49Å; M412-F464 HydrophobicContact SD-CD1 4.28Å; M412-F464 HydrophobicContact SD-CE1 4.34Å; M412-K465 HydrophobicContact SD-CB 4.39Å; M412-T468 VanDerWaalsContact CE-CB 3.45Å; M412-T468 HydrophobicContact CE-CG2 3.86Å; M412-T468 WeakPolarHBondContact CE-OG1 3.5Å
413G92.9Very high87.2Confident24 Ų2433.4 Ų33.425%0.24721%0.211CC..Hα-helixtrans-58.7-41.1173.900000112.8D409 D410 L411 K417D409-G413 PolarHBondContact O-N 3.31Å; D410-G413 PolarHBondContact O-N 3.31Å; L411-G413 VanDerWaalsContact C-N 3.33Å; L411-G413 PolarHBondContact O-N 3.35Å; G413-K417 WeakPolarHBondContact O-CG 3.43Å; G413-K417 PolarHBondContact O-N 3.28Å; G413-K417 VanDerWaalsContact O-N 3.13Å
414I95Very high89.1Confident0 Ų032.1 Ų32.10%018%0.18CC..Hα-helixtrans-72.6-36.5176.2-58.2-50.9000111.8K362 L365 L383 F386 F390 D410 L411 M412 K417 S418 L448K362-I414 HydrophobicContact CG-CD1 4.12Å; L365-I414 HydrophobicContact CD2-CD1 4.1Å; L383-I414 HydrophobicContact CD2-CG2 3.96Å; F386-I414 HydrophobicContact CB-CG1 4.45Å; F386-I414 HydrophobicContact CB-CG2 3.99Å; F386-I414 HydrophobicContact CD1-CD1 4.05Å; F386-I414 HydrophobicContact CD1-CG1 3.91Å; F386-I414 HydrophobicContact CD2-CD1 3.97Å; F386-I414 HydrophobicContact CD2-CG1 4.33Å; F386-I414 HydrophobicContact CD2-CG2 4.3Å; F386-I414 HydrophobicContact CE1-CD1 3.8Å; F386-I414 HydrophobicContact CE1-CG1 4.1Å; F386-I414 HydrophobicContact CE2-CD1 3.71Å; F386-I414 HydrophobicContact CG-CD1 4.1Å; F386-I414 HydrophobicContact CG-CG1 4.01Å; F386-I414 HydrophobicContact CG-CG2 4.19Å; F386-I414 HydrophobicContact CZ-CD1 3.57Å; F386-I414 HydrophobicContact CZ-CG1 4.35Å; F390-I414 HydrophobicContact CE2-CB 4.34Å; F390-I414 HydrophobicContact CE2-CG1 3.84Å; F390-I414 HydrophobicContact CZ-CG1 4.16Å; D410-I414 WeakPolarHBondContact O-CG1 3.22Å; D410-I414 PolarHBondContact O-N 3.46Å; L411-I414 PolarHBondContact O-N 3.48Å; M412-I414 VanDerWaalsContact C-N 3.31Å; M412-I414 PolarHBondContact O-N 2.73Å; I414-K417 HydrophobicContact CD1-CD 4.44Å; I414-K417 PolarHBondContact O-N 2.84Å; I414-S418 WeakPolarHBondContact O-CB 3.11Å; I414-S418 PolarHBondContact O-N 3.1Å; I414-S418 PolarHBondContact O-OG 3.06Å; I414-L448 HydrophobicContact CG2-CD1 3.94Å; I414-L448 HydrophobicContact CG2-CD2 4.27Å
415L95.3Very high90.6Very high1 Ų129 Ų291%0.00516%0.161CC..Hα-helixtrans-59.6-48172.4179.965.1000110.8L411 M412 K417 S418 V419 I445 L448 I449 L452 T468L411-L415 PolarHBondContact O-N 3.03Å; M412-L415 HydrophobicContact CE-CD2 4.35Å; M412-L415 PolarHBondContact O-N 3.34Å; M412-L415 HydrophobicContact SD-CD2 3.99Å; L415-K417 VanDerWaalsContact C-N 3.34Å; L415-K417 PolarHBondContact O-N 3.02Å; L415-S418 WeakPolarHBondContact O-CB 3.48Å; L415-S418 PolarHBondContact O-N 2.89Å; L415-S418 VanDerWaalsContact O-N 3.1Å; L415-V419 HydrophobicContact CD1-CG2 4.36Å; L415-V419 WeakPolarHBondContact O-CG2 3.34Å; L415-V419 PolarHBondContact O-N 3.32Å; L415-I445 HydrophobicContact CD1-CG2 3.91Å; L415-L448 HydrophobicContact CD1-CB 4.26Å; L415-I449 HydrophobicContact CD1-CG1 4.02Å; L415-I449 HydrophobicContact CD2-CG1 4.32Å; L415-L452 HydrophobicContact CB-CD1 4.2Å; L415-L452 HydrophobicContact CD2-CD1 3.54Å; L415-L452 HydrophobicContact CG-CD1 4.43Å; L415-T468 HydrophobicContact CD2-CG2 4.42Å; L415-T468 HydrophobicContact CG-CG2 4.45Å
416C95.9Very high91.5Very high44 Ų4428.2 Ų28.230%0.29715%0.152SC..Hα-helixtrans-56.8-45.4176.5-72.60000112M412 S418 V419 L420M412-C416 PolarHBondContact O-N 2.84Å; M412-C416 PolarHBondContact O-SG 3.16Å; M412-C416 VanDerWaalsContact O-SG 3.34Å; C416-S418 VanDerWaalsContact C-N 3.32Å; C416-S418 PolarHBondContact O-N 2.85Å; C416-V419 PolarHBondContact O-N 3.29Å; C416-L420 WeakPolarHBondContact O-CB 3.09Å; C416-L420 PolarHBondContact O-N 3Å
417K94.6Very high91.8Very high41 Ų4135.1 Ų35.118%0.17818%0.181CC..Hα-helixtrans-64.5-36.1176.4-70.3178.9-170.4-630112.4L365 D366 Q369 G413 I414 L415 L420 E421L365-K417 HydrophobicContact CD2-CB 4.05Å; L365-K417 HydrophobicContact CD2-CD 3.49Å; L365-K417 VanDerWaalsContact CD2-CD 3.49Å; L365-K417 HydrophobicContact CD2-CG 4.42Å; L365-K417 HydrophobicContact CG-CD 4.1Å; D366-K417 IonicContact OD1-NZ 3.27Å; D366-K417 PolarHBondContact OD1-NZ 2.97Å; D366-K417 IonicContact OD2-NZ 3.93Å; D366-K417 PolarHBondContact OD2-NZ 3.28Å; Q369-K417 PolarHBondContact NE2-O 3.37Å; G413-K417 WeakPolarHBondContact O-CG 3.43Å; G413-K417 PolarHBondContact O-N 3.28Å; G413-K417 VanDerWaalsContact O-N 3.13Å; I414-K417 HydrophobicContact CD1-CD 4.44Å; I414-K417 PolarHBondContact O-N 2.84Å; L415-K417 VanDerWaalsContact C-N 3.34Å; L415-K417 PolarHBondContact O-N 3.02Å; K417-L420 PolarHBondContact O-N 3.15Å; K417-E421 PolarHBondContact O-N 3.27Å; K417-E421 VanDerWaalsContact O-N 3.13Å
418S94.7Very high91.6Very high2 Ų236.5 Ų36.51%0.01418%0.184CC..Hα-helixtrans-66.7-43.1176.1-53.80000111.7L383 I414 L415 C416 E421 I422 L448L383-S418 WeakPolarHBondContact CD2-OG 3.5Å; I414-S418 WeakPolarHBondContact O-CB 3.11Å; I414-S418 PolarHBondContact O-N 3.1Å; I414-S418 PolarHBondContact O-OG 3.06Å; L415-S418 WeakPolarHBondContact O-CB 3.48Å; L415-S418 PolarHBondContact O-N 2.89Å; L415-S418 VanDerWaalsContact O-N 3.1Å; C416-S418 VanDerWaalsContact C-N 3.32Å; C416-S418 PolarHBondContact O-N 2.85Å; S418-E421 WeakPolarHBondContact O-CB 3.33Å; S418-E421 PolarHBondContact O-N 3.25Å; S418-I422 PolarHBondContact O-N 3.25Å; S418-L448 VanDerWaalsContact OG-CD1 3.28Å; S418-L448 WeakPolarHBondContact OG-CD1 3.43Å
419V94.8Very high90.2Very high6 Ų642.7 Ų42.74%0.03622%0.223CC..Hα-helixtrans-66.2-40.9175.9174.50000111L415 C416 E421 I422 E423 T468 F472L415-V419 HydrophobicContact CD1-CG2 4.36Å; L415-V419 WeakPolarHBondContact O-CG2 3.34Å; L415-V419 PolarHBondContact O-N 3.32Å; C416-V419 PolarHBondContact O-N 3.29Å; V419-E421 PolarHBondContact O-N 3.13Å; V419-I422 WeakPolarHBondContact O-CB 3.48Å; V419-I422 PolarHBondContact O-N 3.48Å; V419-E423 PolarHBondContact O-N 3.07Å; V419-T468 HydrophobicContact CG2-CG2 4.21Å; V419-F472 HydrophobicContact CG1-CB 3.9Å; V419-F472 HydrophobicContact CG2-CB 3.86Å; V419-F472 HydrophobicContact CG2-CD2 4.32Å; V419-F472 HydrophobicContact CG2-CG 4.24Å
420L93.6Very high88.9Confident74 Ų7446.9 Ų46.939%0.38724%0.239SC..Hα-helixtrans-57-36.3174-179.764.6000111.7C416 K417 I422 E423 R424C416-L420 WeakPolarHBondContact O-CB 3.09Å; C416-L420 PolarHBondContact O-N 3Å; K417-L420 PolarHBondContact O-N 3.15Å; L420-I422 VanDerWaalsContact C-N 3.34Å; L420-I422 PolarHBondContact O-N 3.39Å; L420-E423 WeakPolarHBondContact O-CB 3.4Å; L420-E423 PolarHBondContact O-N 2.98Å; L420-R424 HydrophobicContact CD1-CG 4.44Å; L420-R424 HydrophobicContact CG-CG 4.41Å; L420-R424 WeakPolarHBondContact O-CB 3.49Å; L420-R424 VanDerWaalsContact O-CG 3.25Å; L420-R424 WeakPolarHBondContact O-CG 3.42Å; L420-R424 PolarHBondContact O-N 3.47Å
421E92.4Very high87.7Confident4 Ų449.3 Ų49.32%0.01926%0.257CS..Hα-helixtrans-63.5-40.4176.6-162.366.4-176.100112.2Q369 P374 L375 T379 K417 S418 V419 R424 A425Q369-E421 PolarHBondContact NE2-OE2 2.93Å; P374-E421 WeakPolarHBondContact CA-OE1 3.4Å; L375-E421 HydrophobicContact CD2-CG 4.36Å; L375-E421 PolarHBondContact N-OE1 3.39Å; T379-E421 HydrophobicContact CG2-CG 4.35Å; K417-E421 PolarHBondContact O-N 3.27Å; K417-E421 VanDerWaalsContact O-N 3.13Å; S418-E421 WeakPolarHBondContact O-CB 3.33Å; S418-E421 PolarHBondContact O-N 3.25Å; V419-E421 PolarHBondContact O-N 3.13Å; E421-R424 PolarHBondContact O-N 2.85Å; E421-R424 IonicContact OE1-NH1 3.37Å; E421-R424 PolarHBondContact OE1-NH1 3.48Å; E421-R424 IonicContact OE2-CZ 3.53Å; E421-R424 IonicContact OE2-NH1 3.4Å; E421-R424 PolarHBondContact OE2-NH1 3.37Å; E421-A425 WeakPolarHBondContact O-CB 3.41Å; E421-A425 PolarHBondContact O-N 3.01Å
422I92.6Very high86.7Confident0 Ų054.6 Ų54.60%029%0.292CS..Hα-helixtrans-65.5-44.1173.2-53.8-57.7000110.4L375 S418 V419 L420 R424 A425 M426 L438 A441 L442 I445 F472 L475 P477L375-I422 HydrophobicContact CD2-CD1 4.04Å; S418-I422 PolarHBondContact O-N 3.25Å; V419-I422 WeakPolarHBondContact O-CB 3.48Å; V419-I422 PolarHBondContact O-N 3.48Å; L420-I422 VanDerWaalsContact C-N 3.34Å; L420-I422 PolarHBondContact O-N 3.39Å; I422-R424 VanDerWaalsContact C-N 3.33Å; I422-R424 PolarHBondContact O-N 3.31Å; I422-A425 PolarHBondContact O-N 3.36Å; I422-M426 HydrophobicContact CG2-CG 4.16Å; I422-M426 VanDerWaalsContact O-CG 3.29Å; I422-M426 WeakPolarHBondContact O-CG 3.25Å; I422-M426 PolarHBondContact O-N 3.46Å; I422-L438 HydrophobicContact CD1-CD1 3.67Å; I422-A441 HydrophobicContact CD1-CB 3.78Å; I422-L442 HydrophobicContact CD1-CD2 4.16Å; I422-I445 HydrophobicContact CD1-CD1 4.09Å; I422-I445 HydrophobicContact CG1-CD1 3.52Å; I422-F472 HydrophobicContact CG1-CE2 4.28Å; I422-L475 HydrophobicContact CB-CD1 4.33Å; I422-L475 HydrophobicContact CG2-CD1 3.93Å; I422-P477 HydrophobicContact CG2-CB 4.02Å; I422-P477 HydrophobicContact CG2-CG 4.46Å
423E92.4Very high85.8Confident46 Ų4656.1 Ų56.122%0.21530%0.302CS..Hα-helixtrans-59.3-43.3176.9-70.9-175.4174.100112.2V419 L420 A425 M426 K427 L475V419-E423 PolarHBondContact O-N 3.07Å; L420-E423 WeakPolarHBondContact O-CB 3.4Å; L420-E423 PolarHBondContact O-N 2.98Å; E423-A425 VanDerWaalsContact C-N 3.33Å; E423-M426 PolarHBondContact O-N 3.1Å; E423-K427 VanDerWaalsContact O-CG 3.27Å; E423-K427 WeakPolarHBondContact O-CG 3.35Å; E423-K427 PolarHBondContact O-N 2.9Å; E423-K427 VanDerWaalsContact O-N 3.14Å; E423-L475 HydrophobicContact CB-CD1 4.38Å; E423-L475 HydrophobicContact CG-CD1 3.47Å; E423-L475 VanDerWaalsContact CG-CD1 3.47Å; E423-L475 HydrophobicContact CG-CD2 4.09Å; E423-L475 HydrophobicContact CG-CG 4.36Å
424R90.9Very high85.2Confident60 Ų6058 Ų5823%0.22631%0.306CS..Hα-helixtrans-61.6-43.2176.3-71.6172.569.1-140.7-1.6110.8Q369 L372 P374 L420 E421 I422 K427Q369-R424 PolarHBondContact O-NH1 2.93Å; Q369-R424 PolarHBondContact O-NH2 3.01Å; L372-R424 PolarHBondContact O-NH2 3.27Å; P374-R424 HydrophobicContact CB-CB 3.96Å; P374-R424 HydrophobicContact CG-CB 3.77Å; L420-R424 HydrophobicContact CD1-CG 4.44Å; L420-R424 HydrophobicContact CG-CG 4.41Å; L420-R424 WeakPolarHBondContact O-CB 3.49Å; L420-R424 VanDerWaalsContact O-CG 3.25Å; L420-R424 WeakPolarHBondContact O-CG 3.42Å; L420-R424 PolarHBondContact O-N 3.47Å; E421-R424 PolarHBondContact O-N 2.85Å; E421-R424 IonicContact OE1-NH1 3.37Å; E421-R424 PolarHBondContact OE1-NH1 3.48Å; E421-R424 IonicContact OE2-CZ 3.53Å; E421-R424 IonicContact OE2-NH1 3.4Å; E421-R424 PolarHBondContact OE2-NH1 3.37Å; I422-R424 VanDerWaalsContact C-N 3.33Å; I422-R424 PolarHBondContact O-N 3.31Å; R424-K427 PolarHBondContact O-N 3.48Å
425A89.8Confident84.7Confident2 Ų261.3 Ų61.32%0.01733%0.328CS..Hα-helixtrans-66-43178.600000112.8P374 L375 E421 I422 E423 K427 Q428 P433P374-A425 HydrophobicContact CB-CB 3.92Å; L375-A425 HydrophobicContact CD1-CB 3.63Å; L375-A425 HydrophobicContact CD2-CB 4.3Å; L375-A425 HydrophobicContact CG-CB 3.68Å; E421-A425 WeakPolarHBondContact O-CB 3.41Å; E421-A425 PolarHBondContact O-N 3.01Å; I422-A425 PolarHBondContact O-N 3.36Å; E423-A425 VanDerWaalsContact C-N 3.33Å; A425-K427 VanDerWaalsContact C-N 3.28Å; A425-K427 PolarHBondContact O-N 2.9Å; A425-Q428 PolarHBondContact O-N 3.39Å; A425-P433 HydrophobicContact CB-CB 4.45Å
426M86.8Confident84.2Confident67 Ų6767 Ų6733%0.3336%0.357SS..Hα-helixtrans-69.6-24.1179.9-65.5-59.7111.500113.1I422 E423 Q428 P433 L438 L475I422-M426 HydrophobicContact CG2-CG 4.16Å; I422-M426 VanDerWaalsContact O-CG 3.29Å; I422-M426 WeakPolarHBondContact O-CG 3.25Å; I422-M426 PolarHBondContact O-N 3.46Å; E423-M426 PolarHBondContact O-N 3.1Å; M426-Q428 VanDerWaalsContact C-N 3.35Å; M426-P433 HydrophobicContact CE-CB 4.44Å; M426-P433 HydrophobicContact CE-CG 3.65Å; M426-L438 HydrophobicContact CE-CD1 4.11Å; M426-L438 HydrophobicContact CE-CD2 3.69Å; M426-L475 HydrophobicContact CG-CB 4.43Å
427K86.4Confident83.8Confident157 Ų15767.8 Ų67.868%0.68336%0.356SS*.THydrogen-bonded Turntrans-79.9-14.7176.8-74.6173.2-174.9171.50113.4E423 R424 A425 T429E423-K427 VanDerWaalsContact O-CG 3.27Å; E423-K427 WeakPolarHBondContact O-CG 3.35Å; E423-K427 PolarHBondContact O-N 2.9Å; E423-K427 VanDerWaalsContact O-N 3.14Å; R424-K427 PolarHBondContact O-N 3.48Å; A425-K427 VanDerWaalsContact C-N 3.28Å; A425-K427 PolarHBondContact O-N 2.9Å; K427-T429 PolarHBondContact O-N 3.34Å
428Q81.6Confident83.6Confident85 Ų8566 Ų6640%0.39735%0.348SS..  trans-74.7112.4178.7-74.7-173.8-30.700110.5P374 A425 M426P374-Q428 HydrophobicContact CG-CG 4.32Å; A425-Q428 PolarHBondContact O-N 3.39Å; M426-Q428 VanDerWaalsContact C-N 3.35Å
429T60.4Low83.4Confident140 Ų14067.5 Ų67.586%0.85936%0.357SS*.  trans-85.4-16.9-17932.90000114.2K427K427-T429 PolarHBondContact O-N 3.34Å
430Q61Low83.3Confident197 Ų19771.4 Ų71.492%0.92137%0.373SS*.SBendtrans-89.4-22.2-169.4-70.8-179.4-4.700114.4
431C64.4Low83.2Confident83 Ų8368.2 Ų68.256%0.56136%0.358SS*.SBendtrans-149.5129.8176.4-172.70000109.2
432P69.9Low83.3Confident110 Ų11068 Ų6871%0.71436%0.357SS*.  trans-61.3143.817327.1-33.2000109.5
433P75.9Confident83.4Confident36 Ų3668.3 Ų68.323%0.23436%0.359CS..  trans-62.3140.317924.4-32.5000110.6L375 A425 M426 P435 L438L375-P433 HydrophobicContact CD1-CB 3.51Å; A425-P433 HydrophobicContact CB-CB 4.45Å; M426-P433 HydrophobicContact CE-CB 4.44Å; M426-P433 HydrophobicContact CE-CG 3.65Å; P433-P435 WeakPolarHBondContact O-CD 3.33Å; P433-P435 VanDerWaalsContact O-N 3.1Å; P433-L438 HydrophobicContact CB-CD2 4.26Å; P433-L438 HydrophobicContact CG-CD2 3.9Å
434D81.4Confident83.4Confident62 Ų6266.1 Ų66.133%0.33235%0.348SS..  trans-56.7115.6174.3173.84.4000109.4I436 Q437 L438D434-I436 PolarHBondContact O-N 3.17Å; D434-I436 VanDerWaalsContact O-N 3.1Å; D434-I436 WeakPolarHBondContact OD1-CB 3.1Å; D434-I436 PolarHBondContact OD1-N 3.19Å; D434-Q437 HydrophobicContact CB-CB 4.16Å; D434-Q437 HydrophobicContact CB-CG 4.24Å; D434-Q437 PolarHBondContact O-N 3.13Å; D434-Q437 VanDerWaalsContact O-N 3.15Å; D434-Q437 WeakPolarHBondContact OD2-CG 3.4Å; D434-Q437 PolarHBondContact OD2-NE2 3.07Å; D434-L438 WeakPolarHBondContact O-CB 3.46Å; D434-L438 PolarHBondContact O-N 3.13Å
435P83.5Confident83.7Confident70 Ų7063.3 Ų63.346%0.45534%0.338SS..Hα-helixtrans-57.4-29.1-177-25.834.9000113.3P433 N439P433-P435 WeakPolarHBondContact O-CD 3.33Å; P433-P435 VanDerWaalsContact O-N 3.1Å; P435-N439 WeakPolarHBondContact O-CB 3.45Å; P435-N439 PolarHBondContact O-N 2.9Å
436I85.1Confident83.9Confident120 Ų12063.2 Ų63.262%0.61534%0.337SS*.Hα-helixtrans-72-47.8179.7-62171.8000110.3D434 N439 K440D434-I436 PolarHBondContact O-N 3.17Å; D434-I436 VanDerWaalsContact O-N 3.1Å; D434-I436 WeakPolarHBondContact OD1-CB 3.1Å; D434-I436 PolarHBondContact OD1-N 3.19Å; I436-N439 PolarHBondContact O-N 3.17Å; I436-K440 PolarHBondContact O-N 3.23Å
437Q87.7Confident84.3Confident61 Ų6160.1 Ų60.129%0.28532%0.322SS..Hα-helixtrans-66.2-40.6177.8-70.217243.600111.2L375 D434 K440 A441L375-Q437 HydrophobicContact CB-CB 4.14Å; L375-Q437 PolarHBondContact O-OE1 3.16Å; D434-Q437 HydrophobicContact CB-CB 4.16Å; D434-Q437 HydrophobicContact CB-CG 4.24Å; D434-Q437 PolarHBondContact O-N 3.13Å; D434-Q437 VanDerWaalsContact O-N 3.15Å; D434-Q437 WeakPolarHBondContact OD2-CG 3.4Å; D434-Q437 PolarHBondContact OD2-NE2 3.07Å; Q437-K440 PolarHBondContact O-N 3.39Å; Q437-A441 PolarHBondContact O-N 3.26Å
438L90.6Very high84.7Confident3 Ų352.7 Ų52.72%0.01629%0.289CS..Hα-helixtrans-61.7-47174.7-176.153.1000111L375 I422 M426 P433 D434 K440 A441 L442 R478L375-L438 HydrophobicContact CD1-CB 3.95Å; L375-L438 HydrophobicContact CD1-CD1 4.09Å; L375-L438 HydrophobicContact CD2-CD1 4.24Å; I422-L438 HydrophobicContact CD1-CD1 3.67Å; M426-L438 HydrophobicContact CE-CD1 4.11Å; M426-L438 HydrophobicContact CE-CD2 3.69Å; P433-L438 HydrophobicContact CB-CD2 4.26Å; P433-L438 HydrophobicContact CG-CD2 3.9Å; D434-L438 WeakPolarHBondContact O-CB 3.46Å; D434-L438 PolarHBondContact O-N 3.13Å; L438-K440 VanDerWaalsContact C-N 3.29Å; L438-K440 PolarHBondContact O-N 2.98Å; L438-A441 PolarHBondContact O-N 2.72Å; L438-A441 VanDerWaalsContact O-N 3.14Å; L438-L442 HydrophobicContact CD1-CD2 4.47Å; L438-L442 HydrophobicContact CD1-CG 4.27Å; L438-L442 HydrophobicContact CG-CD1 4.31Å; L438-L442 HydrophobicContact CG-CG 4.48Å; L438-L442 VanDerWaalsContact O-CG 3.28Å; L438-L442 WeakPolarHBondContact O-CG 3.18Å; L438-L442 PolarHBondContact O-N 3.14Å; L438-R478 WeakPolarHBondContact CD2-O 3.31Å
439N91.2Very high85.3Confident35 Ų3548.6 Ų48.619%0.18727%0.27CS..Hα-helixtrans-55.1-46.1175.7-167.983.5000111.8P435 I436 A441 L442 S443 K480P435-N439 WeakPolarHBondContact O-CB 3.45Å; P435-N439 PolarHBondContact O-N 2.9Å; I436-N439 PolarHBondContact O-N 3.17Å; N439-A441 PolarHBondContact O-N 3.13Å; N439-L442 PolarHBondContact O-N 3.38Å; N439-S443 PolarHBondContact O-N 3.45Å; N439-S443 PolarHBondContact O-OG 3.22Å; N439-S443 VanDerWaalsContact O-OG 3.07Å; N439-K480 HydrophobicContact CB-CB 4.04Å; N439-K480 PolarHBondContact OD1-N 3.05Å
440K90.8Very high86.8Confident87 Ų8742.5 Ų42.538%0.37823%0.233SC..Hα-helixtrans-61-44.6177.9-172.3174.1-177.6176.50111.7I436 Q437 L438 S443 I444I436-K440 PolarHBondContact O-N 3.23Å; Q437-K440 PolarHBondContact O-N 3.39Å; L438-K440 VanDerWaalsContact C-N 3.29Å; L438-K440 PolarHBondContact O-N 2.98Å; K440-S443 PolarHBondContact O-N 2.88Å; K440-I444 HydrophobicContact CG-CD1 4.19Å; K440-I444 VanDerWaalsContact O-CG1 3.27Å; K440-I444 WeakPolarHBondContact O-CG1 2.99Å; K440-I444 PolarHBondContact O-N 3.41Å
441A93.1Very high88.3Confident8 Ų833.2 Ų33.27%0.06619%0.19CC..Hα-helixtrans-62.4-42.617700000112.1L375 I422 Q437 L438 N439 I444 I445L375-A441 HydrophobicContact CD2-CB 3.76Å; I422-A441 HydrophobicContact CD1-CB 3.78Å; Q437-A441 PolarHBondContact O-N 3.26Å; L438-A441 PolarHBondContact O-N 2.72Å; L438-A441 VanDerWaalsContact O-N 3.14Å; N439-A441 PolarHBondContact O-N 3.13Å; A441-I444 PolarHBondContact O-N 3.27Å; A441-I445 WeakPolarHBondContact O-CG1 3.47Å; A441-I445 PolarHBondContact O-N 2.76Å
442L93.7Very high89.6Confident0 Ų029.3 Ų29.30%016%0.164CC..Hα-helixtrans-61.8-45.6175.5-63.7176.7000111.7I422 L438 N439 I444 I445 L446 F472 P477 L488I422-L442 HydrophobicContact CD1-CD2 4.16Å; L438-L442 HydrophobicContact CD1-CD2 4.47Å; L438-L442 HydrophobicContact CD1-CG 4.27Å; L438-L442 HydrophobicContact CG-CD1 4.31Å; L438-L442 HydrophobicContact CG-CG 4.48Å; L438-L442 VanDerWaalsContact O-CG 3.28Å; L438-L442 WeakPolarHBondContact O-CG 3.18Å; L438-L442 PolarHBondContact O-N 3.14Å; N439-L442 PolarHBondContact O-N 3.38Å; L442-I444 VanDerWaalsContact C-N 3.32Å; L442-I444 PolarHBondContact O-N 3.34Å; L442-I445 PolarHBondContact O-N 3.5Å; L442-L446 WeakPolarHBondContact O-CG 3.03Å; L442-L446 PolarHBondContact O-N 3.5Å; L442-L446 VanDerWaalsContact O-N 3.08Å; L442-F472 HydrophobicContact CD2-CE2 3.54Å; L442-F472 HydrophobicContact CD2-CZ 3.62Å; L442-P477 HydrophobicContact CD1-CB 4.25Å; L442-P477 HydrophobicContact CD2-CB 3.71Å; L442-P477 HydrophobicContact CD2-CG 3.64Å; L442-L488 HydrophobicContact CB-CD1 3.59Å; L442-L488 HydrophobicContact CD1-CD1 4.06Å; L442-L488 HydrophobicContact CG-CD1 4.49Å
443S93.8Very high90.5Very high6 Ų627.6 Ų27.64%0.04215%0.146CC..Hα-helixtrans-59-43.5175.5-570000111.3N439 K440 I445 L446 H447N439-S443 PolarHBondContact O-N 3.45Å; N439-S443 PolarHBondContact O-OG 3.22Å; N439-S443 VanDerWaalsContact O-OG 3.07Å; K440-S443 PolarHBondContact O-N 2.88Å; S443-I445 PolarHBondContact O-N 3.43Å; S443-L446 PolarHBondContact O-N 2.91Å; S443-H447 PolarHBondContact O-N 3.45Å; S443-H447 VanDerWaalsContact O-N 3.13Å; S443-H447 PolarHBondContact O-ND1 3.13Å
444I94.4Very high91Very high0 Ų031.3 Ų31.30%016%0.158CC..Hα-helixtrans-60.2-44.4176.8-65.3161.7000111.3A380 L383 L384 K440 A441 L442 L446 H447 L448 V497A380-I444 HydrophobicContact CB-CD1 4.33Å; A380-I444 VanDerWaalsContact O-CD1 3.32Å; A380-I444 WeakPolarHBondContact O-CD1 3.37Å; L383-I444 HydrophobicContact CB-CG2 3.93Å; L384-I444 HydrophobicContact CB-CD1 3.95Å; L384-I444 HydrophobicContact CB-CG1 4.21Å; L384-I444 HydrophobicContact CD1-CG1 4.34Å; K440-I444 HydrophobicContact CG-CD1 4.19Å; K440-I444 VanDerWaalsContact O-CG1 3.27Å; K440-I444 WeakPolarHBondContact O-CG1 2.99Å; K440-I444 PolarHBondContact O-N 3.41Å; A441-I444 PolarHBondContact O-N 3.27Å; L442-I444 VanDerWaalsContact C-N 3.32Å; L442-I444 PolarHBondContact O-N 3.34Å; I444-L446 VanDerWaalsContact C-N 3.32Å; I444-L446 PolarHBondContact O-N 2.98Å; I444-H447 WeakPolarHBondContact O-CB 3.28Å; I444-H447 PolarHBondContact O-N 2.96Å; I444-H447 VanDerWaalsContact O-N 3.14Å; I444-L448 HydrophobicContact CG2-CD1 4.21Å; I444-L448 HydrophobicContact CG2-CG 4.46Å; I444-L448 WeakPolarHBondContact O-CG 3.4Å; I444-L448 PolarHBondContact O-N 2.9Å; I444-V497 HydrophobicContact CG1-CG1 3.68Å
445I95.4Very high91.3Very high1 Ų128.9 Ų28.91%0.00515%0.146CC..Hα-helixtrans-58-44.7177.3-71.6167.6000111.2L415 I422 A441 L442 S443 H447 L448 I449 F472L415-I445 HydrophobicContact CD1-CG2 3.91Å; I422-I445 HydrophobicContact CD1-CD1 4.09Å; I422-I445 HydrophobicContact CG1-CD1 3.52Å; A441-I445 WeakPolarHBondContact O-CG1 3.47Å; A441-I445 PolarHBondContact O-N 2.76Å; L442-I445 PolarHBondContact O-N 3.5Å; S443-I445 PolarHBondContact O-N 3.43Å; I445-H447 VanDerWaalsContact C-N 3.29Å; I445-H447 PolarHBondContact O-N 3.26Å; I445-L448 PolarHBondContact O-N 3.23Å; I445-L448 VanDerWaalsContact O-N 3.17Å; I445-I449 HydrophobicContact CG2-CD1 3.89Å; I445-I449 HydrophobicContact CG2-CG1 4.46Å; I445-I449 WeakPolarHBondContact O-CG1 3.44Å; I445-I449 PolarHBondContact O-N 2.94Å; I445-F472 HydrophobicContact CD1-CD2 4.17Å; I445-F472 HydrophobicContact CD1-CE2 3.72Å; I445-F472 HydrophobicContact CD1-CZ 4.24Å; I445-F472 HydrophobicContact CG2-CD1 4.31Å; I445-F472 HydrophobicContact CG2-CE1 3.94Å; I445-F472 HydrophobicContact CG2-CE2 4.3Å; I445-F472 HydrophobicContact CG2-CZ 3.93Å
446L95.1Very high91.3Very high0 Ų030.1 Ų30.10%015%0.154CC..Hα-helixtrans-62.6-36.7178-65.1-179.4000112.4L442 S443 I444 I449 C450 P485 L488 A489 T494 F505 V510 L514L442-L446 WeakPolarHBondContact O-CG 3.03Å; L442-L446 PolarHBondContact O-N 3.5Å; L442-L446 VanDerWaalsContact O-N 3.08Å; S443-L446 PolarHBondContact O-N 2.91Å; I444-L446 VanDerWaalsContact C-N 3.32Å; I444-L446 PolarHBondContact O-N 2.98Å; L446-I449 HydrophobicContact CD2-CD1 4.48Å; L446-I449 PolarHBondContact O-N 3.05Å; L446-C450 WeakPolarHBondContact O-CB 3.46Å; L446-C450 PolarHBondContact O-N 3.38Å; L446-P485 HydrophobicContact CD2-CB 4.45Å; L446-L488 HydrophobicContact CD1-CB 3.46Å; L446-L488 VanDerWaalsContact CD1-CB 3.46Å; L446-A489 HydrophobicContact CD1-CB 4.33Å; L446-T494 HydrophobicContact CD1-CG2 4.2Å; L446-F505 HydrophobicContact CB-CE1 4.08Å; L446-F505 HydrophobicContact CB-CZ 3.8Å; L446-V510 HydrophobicContact CD2-CG1 4Å; L446-L514 HydrophobicContact CD2-CD1 3.82Å; L446-L514 HydrophobicContact CD2-CD2 4.42Å
447H94.6Very high91.4Very high2 Ų226.8 Ų26.81%0.00914%0.141CC..Hα-helixtrans-66.3-41.7174.2-73.775.3000111.8S443 I444 I445 I449 C450 L451 T494 V497 V502 C503 F505S443-H447 PolarHBondContact O-N 3.45Å; S443-H447 VanDerWaalsContact O-N 3.13Å; S443-H447 PolarHBondContact O-ND1 3.13Å; I444-H447 WeakPolarHBondContact O-CB 3.28Å; I444-H447 PolarHBondContact O-N 2.96Å; I444-H447 VanDerWaalsContact O-N 3.14Å; I445-H447 VanDerWaalsContact C-N 3.29Å; I445-H447 PolarHBondContact O-N 3.26Å; H447-I449 VanDerWaalsContact C-N 3.35Å; H447-I449 PolarHBondContact O-N 2.81Å; H447-C450 WeakPolarHBondContact O-CB 3.27Å; H447-C450 PolarHBondContact O-N 3.47Å; H447-L451 WeakPolarHBondContact O-CG 3.28Å; H447-L451 PolarHBondContact O-N 2.04Å; H447-T494 PolarHBondContact CE1-O 3.4Å; H447-V497 WeakPolarHBondContact CE1-CG2 3.42Å; H447-V502 HydrophobicContact CB-CB 4.46Å; H447-V502 HydrophobicContact CB-CG1 3.85Å; H447-C503 PolarHBondContact CD2-N 3.48Å; H447-C503 PolarHBondContact NE2-O 3.48Å; H447-F505 AromaticContact CD2-CE2 3.77Å; H447-F505 AromaticContact CE1-CD2 3.72Å; H447-F505 AromaticContact CE1-CE2 3.31Å; H447-F505 WeakPolarHBondContact CE1-CE2 3.09Å; H447-F505 AromaticContact CG-CE2 3.95Å; H447-F505 AromaticContact ND1-CE2 3.67Å; H447-F505 AromaticContact NE2-CD2 3.76Å; H447-F505 AromaticContact NE2-CE2 3.4Å; H447-F505 WeakPolarHBondContact NE2-CE2 3.44Å
448L94.3Very high91.6Very high0 Ų026.5 Ų26.50%015%0.145CC..Hα-helixtrans-63-40.8175.4-67.5171.9000111.8A387 L411 I414 L415 S418 I444 I445 L451 L452A387-L448 HydrophobicContact CB-CD2 3.84Å; A387-L448 HydrophobicContact CB-CG 4.41Å; L411-L448 HydrophobicContact CD2-CD2 4.1Å; I414-L448 HydrophobicContact CG2-CD1 3.94Å; I414-L448 HydrophobicContact CG2-CD2 4.27Å; L415-L448 HydrophobicContact CD1-CB 4.26Å; S418-L448 VanDerWaalsContact OG-CD1 3.28Å; S418-L448 WeakPolarHBondContact OG-CD1 3.43Å; I444-L448 HydrophobicContact CG2-CD1 4.21Å; I444-L448 HydrophobicContact CG2-CG 4.46Å; I444-L448 WeakPolarHBondContact O-CG 3.4Å; I444-L448 PolarHBondContact O-N 2.9Å; I445-L448 PolarHBondContact O-N 3.23Å; I445-L448 VanDerWaalsContact O-N 3.17Å; L448-L451 PolarHBondContact O-N 3.19Å; L448-L452 PolarHBondContact O-N 3.41Å
449I94.6Very high91.6Very high0 Ų031.3 Ų31.30%018%0.179CC..Hα-helixtrans-61-45.8173-66.4167.9000110.3L415 I445 L446 H447 L451 L452 E453 I469 V510 I513 L514L415-I449 HydrophobicContact CD1-CG1 4.02Å; L415-I449 HydrophobicContact CD2-CG1 4.32Å; I445-I449 HydrophobicContact CG2-CD1 3.89Å; I445-I449 HydrophobicContact CG2-CG1 4.46Å; I445-I449 WeakPolarHBondContact O-CG1 3.44Å; I445-I449 PolarHBondContact O-N 2.94Å; L446-I449 HydrophobicContact CD2-CD1 4.48Å; L446-I449 PolarHBondContact O-N 3.05Å; H447-I449 VanDerWaalsContact C-N 3.35Å; H447-I449 PolarHBondContact O-N 2.81Å; I449-L451 VanDerWaalsContact C-N 3.29Å; I449-L451 PolarHBondContact O-N 3.43Å; I449-L452 WeakPolarHBondContact O-CB 3.21Å; I449-L452 PolarHBondContact O-N 3.26Å; I449-E453 PolarHBondContact O-N 3.29Å; I449-E453 VanDerWaalsContact O-N 3.12Å; I449-I469 HydrophobicContact CD1-CD1 4.19Å; I449-I469 HydrophobicContact CD1-CG1 4.03Å; I449-I469 HydrophobicContact CG1-CD1 4.21Å; I449-I469 HydrophobicContact CG1-CG1 4.31Å; I449-I469 HydrophobicContact CG2-CD1 4.11Å; I449-V510 HydrophobicContact CG2-CG1 4.3Å; I449-I513 HydrophobicContact CG2-CG2 3.8Å; I449-L514 HydrophobicContact CD1-CD2 4.34Å
450C93.2Very high91.7Very high12 Ų1237.5 Ų37.58%0.08121%0.207CC..Hα-helixtrans-58.2-39175.7172.50000113.1L446 H447 C503 F505 V510L446-C450 WeakPolarHBondContact O-CB 3.46Å; L446-C450 PolarHBondContact O-N 3.38Å; H447-C450 WeakPolarHBondContact O-CB 3.27Å; H447-C450 PolarHBondContact O-N 3.47Å; C450-C503 HydrophobicContact CB-CB 3.78Å; C450-C503 WeakPolarHBondContact CB-SG 3.19Å; C450-C503 WeakPolarHBondContact SG-CB 3.39Å; C450-C503 CovalentContact SG-SG 2.04Å; C450-C503 PolarHBondContact SG-SG 3.09Å; C450-F505 HydrophobicContact CB-CZ 4.42Å; C450-V510 HydrophobicContact CB-CG2 3.67Å
451L91.2Very high91.7Very high1 Ų135.8 Ų35.81%0.00520%0.2CC..Hα-helixtrans-70.5-38.1176.6-66177.2000111.9A387 F390 L394 L411 H447 L448 I449 E453 K454 V502A387-L451 HydrophobicContact CB-CD1 4.47Å; A387-L451 WeakPolarHBondContact O-CD1 3.37Å; F390-L451 HydrophobicContact CB-CD1 3.96Å; L394-L451 HydrophobicContact CD1-CB 4.33Å; L394-L451 HydrophobicContact CD1-CD2 4.07Å; L411-L451 HydrophobicContact CD1-CB 4.29Å; L411-L451 HydrophobicContact CD2-CB 3.94Å; L411-L451 HydrophobicContact CD2-CD1 4.27Å; H447-L451 WeakPolarHBondContact O-CG 3.28Å; H447-L451 PolarHBondContact O-N 2.04Å; L448-L451 PolarHBondContact O-N 3.19Å; I449-L451 VanDerWaalsContact C-N 3.29Å; I449-L451 PolarHBondContact O-N 3.43Å; L451-E453 VanDerWaalsContact C-N 3.3Å; L451-E453 PolarHBondContact O-N 3.46Å; L451-K454 WeakPolarHBondContact O-CB 3.1Å; L451-K454 PolarHBondContact O-N 3.14Å; L451-V502 HydrophobicContact CD1-CG1 3.85Å; L451-V502 HydrophobicContact CD2-CG1 4.14Å; L451-V502 HydrophobicContact CG-CG1 4.07Å
452L91.2Very high91.6Very high2 Ų238.8 Ų38.81%0.0121%0.213CC..Hα-helixtrans-61.6-35.7176-83.1165.8000112.8F408 L411 M412 L415 L448 I449 K454 V455 K465F408-L452 HydrophobicContact CD2-CD2 3.88Å; F408-L452 HydrophobicContact CE2-CD2 3.92Å; L411-L452 HydrophobicContact CB-CD2 3.57Å; L411-L452 HydrophobicContact CB-CG 4.01Å; L411-L452 HydrophobicContact CD1-CD2 4.4Å; M412-L452 HydrophobicContact SD-CD1 4.2Å; L415-L452 HydrophobicContact CB-CD1 4.2Å; L415-L452 HydrophobicContact CD2-CD1 3.54Å; L415-L452 HydrophobicContact CG-CD1 4.43Å; L448-L452 PolarHBondContact O-N 3.41Å; I449-L452 WeakPolarHBondContact O-CB 3.21Å; I449-L452 PolarHBondContact O-N 3.26Å; L452-K454 PolarHBondContact O-N 3.47Å; L452-V455 PolarHBondContact O-N 2.89Å; L452-V455 VanDerWaalsContact O-N 3.13Å; L452-K465 HydrophobicContact CB-CD 4.39Å
453E90Very high91.6Very high74 Ų7445 Ų4535%0.34624%0.242SC..THydrogen-bonded Turntrans-63.4-18.6174.1-69.1-55.3117.400113.5I449 L451 K465 I513I449-E453 PolarHBondContact O-N 3.29Å; I449-E453 VanDerWaalsContact O-N 3.12Å; L451-E453 VanDerWaalsContact C-N 3.3Å; L451-E453 PolarHBondContact O-N 3.46Å; E453-K465 IonicContact OE1-NZ 3.04Å; E453-K465 PolarHBondContact OE1-NZ 3.2Å; E453-K465 IonicContact OE2-NZ 3.19Å; E453-I513 WeakPolarHBondContact OE1-CD1 3.43Å
454K87.3Confident91.6Very high114 Ų11449 Ų4950%0.49626%0.259SS..THydrogen-bonded Turntrans-90.8-8177.9-60.4176.1-175.81750113.1L394 L451 L452L394-K454 HydrophobicContact CD1-CB 4.49Å; L451-K454 WeakPolarHBondContact O-CB 3.1Å; L451-K454 PolarHBondContact O-N 3.14Å; L452-K454 PolarHBondContact O-N 3.47Å
455V86.6Confident91.6Very high10 Ų1049.3 Ų49.36%0.06126%0.26CS..SBendtrans-101.9131.5-177.4179.80000109.3L394 F408 L411 L452 C457L394-V455 HydrophobicContact CD1-CG2 4.26Å; L394-V455 HydrophobicContact CD2-CG2 4.03Å; F408-V455 HydrophobicContact CB-CG1 4.38Å; L411-V455 HydrophobicContact CD1-CG2 3.69Å; L452-V455 PolarHBondContact O-N 2.89Å; L452-V455 VanDerWaalsContact O-N 3.13Å; V455-C457 PolarHBondContact O-N 3.05Å
456P83.5Confident91.5Very high97 Ų9752.1 Ų52.163%0.6327%0.272SS*.  trans-63.6134.1176.127.2-34.2000110.4
457C87.7Confident91.5Very high50 Ų5056 Ų5634%0.33829%0.29SS..  trans-132.9151.1179.861.70000111.8F408 V455 Q461F408-C457 HydrophobicContact CD2-CB 3.83Å; F408-C457 HydrophobicContact CE2-CB 4.07Å; V455-C457 PolarHBondContact O-N 3.05Å; C457-Q461 HydrophobicContact CB-CB 3.9Å
458S91.8Very high91.5Very high55 Ų5556.4 Ų56.439%0.38529%0.293SS..  trans-75165.516972.30000111.5E460 Q461 E462S458-E460 PolarHBondContact O-N 3.34Å; S458-Q461 PolarHBondContact O-N 2.9Å; S458-Q461 VanDerWaalsContact O-N 3.17Å; S458-Q461 WeakPolarHBondContact OG-CG 3.43Å; S458-Q461 PolarHBondContact OG-N 2.9Å; S458-E462 PolarHBondContact O-N 3.42Å
459S90.6Very high91.6Very high104 Ų10456.5 Ų56.573%0.72729%0.293SS*.Hα-helixtrans-58.3-35.4176.2-530000112.9H463S459-H463 PolarHBondContact O-N 2.93Å
460E91.9Very high91.6Very high164 Ų16462.3 Ų62.377%0.76632%0.316SS*.Hα-helixtrans-68.2-43.4176.2-66.1-178.9174.500111.8S458 E462 H463 F464S458-E460 PolarHBondContact O-N 3.34Å; E460-E462 VanDerWaalsContact C-N 3.35Å; E460-H463 WeakPolarHBondContact O-CB 3.14Å; E460-H463 PolarHBondContact O-N 3.06Å; E460-F464 PolarHBondContact O-N 3.4Å
461Q92.2Very high91.6Very high52 Ų5266.4 Ų66.424%0.24333%0.332CS..Hα-helixtrans-64.3-40.3175.7-74.9175-28.600111.5F408 C457 S458 H463 F464 K465F408-Q461 HydrophobicContact CD1-CB 3.87Å; F408-Q461 HydrophobicContact CD1-CG 3.62Å; F408-Q461 HydrophobicContact CD2-CB 4.28Å; F408-Q461 HydrophobicContact CE1-CB 3.58Å; F408-Q461 HydrophobicContact CE1-CG 3.67Å; F408-Q461 HydrophobicContact CE2-CB 4.01Å; F408-Q461 HydrophobicContact CG-CB 4.22Å; F408-Q461 HydrophobicContact CG-CG 4.21Å; F408-Q461 HydrophobicContact CZ-CB 3.67Å; F408-Q461 HydrophobicContact CZ-CG 4.28Å; F408-Q461 WeakPolarHBondContact CZ-O 3.29Å; C457-Q461 HydrophobicContact CB-CB 3.9Å; S458-Q461 PolarHBondContact O-N 2.9Å; S458-Q461 VanDerWaalsContact O-N 3.17Å; S458-Q461 WeakPolarHBondContact OG-CG 3.43Å; S458-Q461 PolarHBondContact OG-N 2.9Å; Q461-H463 VanDerWaalsContact C-N 3.35Å; Q461-H463 PolarHBondContact O-N 3.14Å; Q461-F464 PolarHBondContact O-N 2.93Å; Q461-K465 WeakPolarHBondContact O-CB 3.11Å; Q461-K465 PolarHBondContact O-N 3.41Å
462E91.2Very high91.8Very high71 Ų7166.3 Ų66.333%0.33233%0.332SS..Hα-helixtrans-62.2-42.9174.7-166-171.6161.600111.4S458 E460 F464 K465 K466S458-E462 PolarHBondContact O-N 3.42Å; E460-E462 VanDerWaalsContact C-N 3.35Å; E462-F464 PolarHBondContact O-N 3.28Å; E462-K465 WeakPolarHBondContact O-CB 3.19Å; E462-K465 PolarHBondContact O-N 3.27Å; E462-K466 WeakPolarHBondContact O-CG 3.5Å; E462-K466 PolarHBondContact O-N 2.66Å; E462-K466 WeakPolarHBondContact OE1-CE 3.4Å; E462-K466 IonicContact OE1-NZ 2.68Å; E462-K466 PolarHBondContact OE1-NZ 3.29Å
463H93.1Very high91.9Very high129 Ų12967.2 Ų67.260%0.59734%0.337SS*.Hα-helixtrans-60.7-45.1174.8-176.676.3000111.8S459 E460 Q461 K465 K466 Q467S459-H463 PolarHBondContact O-N 2.93Å; E460-H463 WeakPolarHBondContact O-CB 3.14Å; E460-H463 PolarHBondContact O-N 3.06Å; Q461-H463 VanDerWaalsContact C-N 3.35Å; Q461-H463 PolarHBondContact O-N 3.14Å; H463-K465 PolarHBondContact O-N 3.43Å; H463-K466 PolarHBondContact O-N 3.25Å; H463-Q467 WeakPolarHBondContact O-CB 3.5Å; H463-Q467 PolarHBondContact O-N 3.08Å
464F93.9Very high92.1Very high91 Ų9171 Ų7140%0.39935%0.352SS..Hα-helixtrans-63.5-40178.1-178.2-123.1000112.9F408 M412 E460 Q461 E462 Q467 T468F408-F464 HydrophobicContact CE1-CD1 4.42Å; M412-F464 HydrophobicContact CE-CD1 3.58Å; M412-F464 HydrophobicContact CE-CE1 3.52Å; M412-F464 HydrophobicContact CE-CG 4.21Å; M412-F464 HydrophobicContact CE-CZ 4.09Å; M412-F464 HydrophobicContact CG-CD1 3.72Å; M412-F464 HydrophobicContact CG-CE1 3.49Å; M412-F464 VanDerWaalsContact CG-CE1 3.49Å; M412-F464 HydrophobicContact SD-CD1 4.28Å; M412-F464 HydrophobicContact SD-CE1 4.34Å; E460-F464 PolarHBondContact O-N 3.4Å; Q461-F464 PolarHBondContact O-N 2.93Å; E462-F464 PolarHBondContact O-N 3.28Å; F464-Q467 PolarHBondContact O-N 2.92Å; F464-T468 PolarHBondContact O-N 3.17Å; F464-T468 PolarHBondContact O-OG1 2.92Å
465K94Very high92.3Very high7 Ų768.1 Ų68.13%0.0334%0.342CS..Hα-helixtrans-56.7-54.3171175.3-174.361.6173.70110.7F408 M412 L452 E453 Q461 E462 H463 Q467 T468 I469 I513F408-K465 HydrophobicContact CE2-CB 4.38Å; F408-K465 HydrophobicContact CZ-CB 4.22Å; M412-K465 HydrophobicContact SD-CB 4.39Å; L452-K465 HydrophobicContact CB-CD 4.39Å; E453-K465 IonicContact OE1-NZ 3.04Å; E453-K465 PolarHBondContact OE1-NZ 3.2Å; E453-K465 IonicContact OE2-NZ 3.19Å; Q461-K465 WeakPolarHBondContact O-CB 3.11Å; Q461-K465 PolarHBondContact O-N 3.41Å; E462-K465 WeakPolarHBondContact O-CB 3.19Å; E462-K465 PolarHBondContact O-N 3.27Å; H463-K465 PolarHBondContact O-N 3.43Å; K465-Q467 VanDerWaalsContact C-N 3.33Å; K465-Q467 PolarHBondContact O-N 3.44Å; K465-T468 PolarHBondContact O-N 2.96Å; K465-T468 VanDerWaalsContact O-N 3.16Å; K465-I469 HydrophobicContact CG-CD1 3.94Å; K465-I469 WeakPolarHBondContact O-CG1 3.23Å; K465-I469 PolarHBondContact O-N 3.12Å; K465-I513 HydrophobicContact CD-CD1 3.92Å; K465-I513 HydrophobicContact CG-CD1 4.36Å
466K94Very high92.5Very high59 Ų5974.2 Ų74.226%0.25737%0.37SS..Hα-helixtrans-61-40.2-180-70.2-175.7-177.6-176.60112.1E462 H463 T468 I469 Y470 I513 E516E462-K466 WeakPolarHBondContact O-CG 3.5Å; E462-K466 PolarHBondContact O-N 2.66Å; E462-K466 WeakPolarHBondContact OE1-CE 3.4Å; E462-K466 IonicContact OE1-NZ 2.68Å; E462-K466 PolarHBondContact OE1-NZ 3.29Å; H463-K466 PolarHBondContact O-N 3.25Å; K466-T468 VanDerWaalsContact C-N 3.32Å; K466-T468 PolarHBondContact O-N 3.13Å; K466-I469 PolarHBondContact O-N 3.17Å; K466-Y470 WeakPolarHBondContact O-CB 3.43Å; K466-Y470 PolarHBondContact O-N 3.34Å; K466-I513 HydrophobicContact CG-CD1 4.47Å; K466-E516 WeakPolarHBondContact CE-OE2 3.41Å; K466-E516 IonicContact NZ-OE2 3.34Å; K466-E516 PolarHBondContact NZ-OE2 2.75Å
467Q95.2Very high92.8Very high83 Ų8369.6 Ų69.639%0.38834%0.34SS..Hα-helixtrans-61.1-40.4176-169.8-171.258.400112.3H463 F464 K465 Y470 K471H463-Q467 WeakPolarHBondContact O-CB 3.5Å; H463-Q467 PolarHBondContact O-N 3.08Å; F464-Q467 PolarHBondContact O-N 2.92Å; K465-Q467 VanDerWaalsContact C-N 3.33Å; K465-Q467 PolarHBondContact O-N 3.44Å; Q467-Y470 PolarHBondContact O-N 3.48Å; Q467-K471 WeakPolarHBondContact O-CG 3.36Å; Q467-K471 PolarHBondContact O-N 3.37Å
468T94.8Very high92.9Very high9 Ų971.1 Ų71.16%0.05534%0.338CS..Hα-helixtrans-70.8-41.3179.2-58.40000111.6M412 L415 V419 F464 K465 K466 Y470 K471 F472M412-T468 VanDerWaalsContact CE-CB 3.45Å; M412-T468 HydrophobicContact CE-CG2 3.86Å; M412-T468 WeakPolarHBondContact CE-OG1 3.5Å; L415-T468 HydrophobicContact CD2-CG2 4.42Å; L415-T468 HydrophobicContact CG-CG2 4.45Å; V419-T468 HydrophobicContact CG2-CG2 4.21Å; F464-T468 PolarHBondContact O-N 3.17Å; F464-T468 PolarHBondContact O-OG1 2.92Å; K465-T468 PolarHBondContact O-N 2.96Å; K465-T468 VanDerWaalsContact O-N 3.16Å; K466-T468 VanDerWaalsContact C-N 3.32Å; K466-T468 PolarHBondContact O-N 3.13Å; T468-Y470 VanDerWaalsContact C-N 3.34Å; T468-K471 PolarHBondContact O-N 2.92Å; T468-F472 WeakPolarHBondContact O-CB 3.02Å; T468-F472 PolarHBondContact O-N 2.87Å
469I95.1Very high92.7Very high2 Ų268.7 Ų68.71%0.0132%0.322CS..Hα-helixtrans-63.2-41.5174.4-64.2170.6000110.6I449 K465 K466 K471 F472 L473 I513 L514 C517I449-I469 HydrophobicContact CD1-CD1 4.19Å; I449-I469 HydrophobicContact CD1-CG1 4.03Å; I449-I469 HydrophobicContact CG1-CD1 4.21Å; I449-I469 HydrophobicContact CG1-CG1 4.31Å; I449-I469 HydrophobicContact CG2-CD1 4.11Å; K465-I469 HydrophobicContact CG-CD1 3.94Å; K465-I469 WeakPolarHBondContact O-CG1 3.23Å; K465-I469 PolarHBondContact O-N 3.12Å; K466-I469 PolarHBondContact O-N 3.17Å; I469-K471 PolarHBondContact O-N 3.36Å; I469-F472 WeakPolarHBondContact O-CB 3.41Å; I469-F472 PolarHBondContact O-N 3.5Å; I469-L473 HydrophobicContact CG2-CD1 3.96Å; I469-L473 HydrophobicContact CG2-CG 4.35Å; I469-L473 WeakPolarHBondContact O-CG 3.48Å; I469-L473 PolarHBondContact O-N 2.95Å; I469-I513 HydrophobicContact CD1-CD1 3.73Å; I469-I513 HydrophobicContact CD1-CG1 3.89Å; I469-I513 HydrophobicContact CD1-CG2 4.49Å; I469-L514 HydrophobicContact CG2-CD2 3.83Å; I469-C517 HydrophobicContact CB-CB 4.2Å; I469-C517 HydrophobicContact CG2-CB 3.65Å
470Y95.2Very high92.5Very high123 Ų12369.3 Ų69.348%0.48231%0.312SS..Hα-helixtrans-59.9-46.1174.8177.5-93.5000112.1K466 Q467 T468 F472 L473 K474 C517K466-Y470 WeakPolarHBondContact O-CB 3.43Å; K466-Y470 PolarHBondContact O-N 3.34Å; Q467-Y470 PolarHBondContact O-N 3.48Å; T468-Y470 VanDerWaalsContact C-N 3.34Å; Y470-F472 VanDerWaalsContact C-N 3.32Å; Y470-F472 PolarHBondContact O-N 3.17Å; Y470-L473 PolarHBondContact O-N 3.24Å; Y470-K474 HydrophobicContact CE1-CD 4.31Å; Y470-K474 WeakPolarHBondContact O-CB 3.45Å; Y470-K474 PolarHBondContact O-N 3.04Å; Y470-C517 VanDerWaalsContact CD2-O 3.29Å; Y470-C517 WeakPolarHBondContact CD2-O 3.37Å
471K94Very high92.3Very high97 Ų9765.3 Ų65.342%0.42230%0.296SS..Hα-helixtrans-58.4-45.6175.1-74.4173.8-177.6171.90111.4Q467 T468 I469 K474 L475Q467-K471 WeakPolarHBondContact O-CG 3.36Å; Q467-K471 PolarHBondContact O-N 3.37Å; T468-K471 PolarHBondContact O-N 2.92Å; I469-K471 PolarHBondContact O-N 3.36Å; K471-K474 PolarHBondContact O-N 3.39Å; K471-L475 PolarHBondContact O-N 2.66Å
472F94.7Very high92.1Very high0 Ų065.9 Ų65.90%030%0.3CS..Hα-helixtrans-58-47.1175.7164.5-116.3000112.6V419 I422 L442 I445 T468 I469 Y470 K474 L475 P477 P485V419-F472 HydrophobicContact CG1-CB 3.9Å; V419-F472 HydrophobicContact CG2-CB 3.86Å; V419-F472 HydrophobicContact CG2-CD2 4.32Å; V419-F472 HydrophobicContact CG2-CG 4.24Å; I422-F472 HydrophobicContact CG1-CE2 4.28Å; L442-F472 HydrophobicContact CD2-CE2 3.54Å; L442-F472 HydrophobicContact CD2-CZ 3.62Å; I445-F472 HydrophobicContact CD1-CD2 4.17Å; I445-F472 HydrophobicContact CD1-CE2 3.72Å; I445-F472 HydrophobicContact CD1-CZ 4.24Å; I445-F472 HydrophobicContact CG2-CD1 4.31Å; I445-F472 HydrophobicContact CG2-CE1 3.94Å; I445-F472 HydrophobicContact CG2-CE2 4.3Å; I445-F472 HydrophobicContact CG2-CZ 3.93Å; T468-F472 WeakPolarHBondContact O-CB 3.02Å; T468-F472 PolarHBondContact O-N 2.87Å; I469-F472 WeakPolarHBondContact O-CB 3.41Å; I469-F472 PolarHBondContact O-N 3.5Å; Y470-F472 VanDerWaalsContact C-N 3.32Å; Y470-F472 PolarHBondContact O-N 3.17Å; F472-K474 VanDerWaalsContact C-N 3.35Å; F472-K474 PolarHBondContact O-N 3.27Å; F472-L475 WeakPolarHBondContact O-CB 3.45Å; F472-L475 PolarHBondContact O-N 3.28Å; F472-P477 HydrophobicContact CD2-CG 4.47Å; F472-P477 HydrophobicContact CE2-CG 3.83Å; F472-P477 HydrophobicContact CZ-CG 4.21Å; F472-P485 HydrophobicContact CE1-CB 3.8Å; F472-P485 HydrophobicContact CE1-CG 3.74Å; F472-P485 HydrophobicContact CE2-CG 4.5Å; F472-P485 HydrophobicContact CZ-CB 3.99Å; F472-P485 HydrophobicContact CZ-CG 3.57Å
473L94Very high92.2Very high21 Ų2163.6 Ų63.611%0.1129%0.289CS..Hα-helixtrans-66.6-35.2179.3-72.2172.3000112.6I469 Y470 L475 Q476 P485 L514 C517 A519I469-L473 HydrophobicContact CG2-CD1 3.96Å; I469-L473 HydrophobicContact CG2-CG 4.35Å; I469-L473 WeakPolarHBondContact O-CG 3.48Å; I469-L473 PolarHBondContact O-N 2.95Å; Y470-L473 PolarHBondContact O-N 3.24Å; L473-L475 PolarHBondContact O-N 2.88Å; L473-Q476 PolarHBondContact O-N 3.14Å; L473-P485 HydrophobicContact CD2-CB 4.14Å; L473-P485 HydrophobicContact CD2-CG 4.18Å; L473-L514 HydrophobicContact CD1-CD2 4.32Å; L473-L514 WeakPolarHBondContact CD1-O 3.5Å; L473-L514 HydrophobicContact CD2-CD2 4.22Å; L473-C517 HydrophobicContact CD1-CB 3.86Å; L473-A519 HydrophobicContact CD1-CB 3.95Å; L473-A519 HydrophobicContact CD2-CB 4.1Å
474K93.8Very high92.2Very high153 Ų15357.7 Ų57.767%0.66526%0.263SS*.Hα-helixtrans-62.2-24.2177.9-171.8175.1179.3178.60113.2Y470 K471 F472 Q476Y470-K474 HydrophobicContact CE1-CD 4.31Å; Y470-K474 WeakPolarHBondContact O-CB 3.45Å; Y470-K474 PolarHBondContact O-N 3.04Å; K471-K474 PolarHBondContact O-N 3.39Å; F472-K474 VanDerWaalsContact C-N 3.35Å; F472-K474 PolarHBondContact O-N 3.27Å; K474-Q476 PolarHBondContact O-N 3.29Å
475L90.5Very high92.2Very high54 Ų5453.6 Ų53.628%0.28325%0.245SC..THydrogen-bonded Turntrans-69.9-13174.1-58.7169.3000113I422 E423 M426 K471 F472 L473I422-L475 HydrophobicContact CB-CD1 4.33Å; I422-L475 HydrophobicContact CG2-CD1 3.93Å; E423-L475 HydrophobicContact CB-CD1 4.38Å; E423-L475 HydrophobicContact CG-CD1 3.47Å; E423-L475 VanDerWaalsContact CG-CD1 3.47Å; E423-L475 HydrophobicContact CG-CD2 4.09Å; E423-L475 HydrophobicContact CG-CG 4.36Å; M426-L475 HydrophobicContact CG-CB 4.43Å; K471-L475 PolarHBondContact O-N 2.66Å; F472-L475 WeakPolarHBondContact O-CB 3.45Å; F472-L475 PolarHBondContact O-N 3.28Å; L473-L475 PolarHBondContact O-N 2.88Å
476Q91.6Very high92.2Very high137 Ų13753.3 Ų53.364%0.6424%0.244SC*.  trans48.448.9-177-59.1-174.6-11.300113.9L473 K474L473-Q476 PolarHBondContact O-N 3.14Å; K474-Q476 PolarHBondContact O-N 3.29Å
477P89.5Confident92.3Very high0 Ų050.5 Ų50.50%023%0.232CC..  trans-66.2142.9-176.430.4-35.3000111.2I422 L442 F472 P485I422-P477 HydrophobicContact CG2-CB 4.02Å; I422-P477 HydrophobicContact CG2-CG 4.46Å; L442-P477 HydrophobicContact CD1-CB 4.25Å; L442-P477 HydrophobicContact CD2-CB 3.71Å; L442-P477 HydrophobicContact CD2-CG 3.64Å; F472-P477 HydrophobicContact CD2-CG 4.47Å; F472-P477 HydrophobicContact CE2-CG 3.83Å; F472-P477 HydrophobicContact CZ-CG 4.21Å; P477-P485 HydrophobicContact CG-CG 3.84Å
478R89.6Confident92.1Very high82 Ų8246.8 Ų46.831%0.30921%0.214SC..  trans-125.2114.5-179.3-63.8-63.1-170.9-127.41.2109.9L438 N482 V523L438-R478 WeakPolarHBondContact CD2-O 3.31Å; R478-N482 VanDerWaalsContact CB-OD1 3.29Å; R478-N482 WeakPolarHBondContact CB-OD1 3.18Å; R478-N482 WeakPolarHBondContact CD-O 3.46Å; R478-N482 WeakPolarHBondContact CD-OD1 3.13Å; R478-N482 WeakPolarHBondContact CG-OD1 3.4Å; R478-V523 VanDerWaalsContact CZ-CG2 3.44Å
479G87.2Confident92.1Very high5 Ų546.3 Ų46.35%0.05221%0.212CC..  trans-83.3-149.4178.800000112.9N482 F483G479-N482 PolarHBondContact O-N 3.27Å; G479-F483 PolarHBondContact N-O 3.48Å
480K87.4Confident92Very high117 Ų11746.2 Ų46.251%0.50921%0.211SC..G310 helixtrans-62.4143.2174.6-174.7178.3176.8-175.90109.6N439 N482 F483N439-K480 HydrophobicContact CB-CB 4.04Å; N439-K480 PolarHBondContact OD1-N 3.05Å; K480-N482 PolarHBondContact O-N 3.28Å; K480-N482 VanDerWaalsContact O-N 3.14Å; K480-F483 WeakPolarHBondContact O-CB 3.21Å; K480-F483 WeakPolarHBondContact O-CG 3.45Å; K480-F483 PolarHBondContact O-N 3.32Å
481N87.1Confident91.8Very high80 Ų8041.2 Ų41.243%0.42819%0.193SC..G310 helixtrans55.326.7-176.5-56.9-7.2000113.8F483 D525 S526N481-F483 HydrophobicContact CB-CD1 3.77Å; N481-F483 HydrophobicContact CB-CE1 3.77Å; N481-F483 PolarHBondContact O-N 3.07Å; N481-D525 WeakPolarHBondContact O-CB 3.34Å; N481-S526 PolarHBondContact O-N 3.14Å; N481-S526 PolarHBondContact O-OG 2.89Å
482N88.9Confident91.5Very high63 Ų6342.3 Ų42.334%0.33720%0.197SC..G310 helixtrans61.224.9-175.6-156.236000113.7R478 G479 K480 S484 R524 S526R478-N482 VanDerWaalsContact CB-OD1 3.29Å; R478-N482 WeakPolarHBondContact CB-OD1 3.18Å; R478-N482 WeakPolarHBondContact CD-O 3.46Å; R478-N482 WeakPolarHBondContact CD-OD1 3.13Å; R478-N482 WeakPolarHBondContact CG-OD1 3.4Å; G479-N482 PolarHBondContact O-N 3.27Å; K480-N482 PolarHBondContact O-N 3.28Å; K480-N482 VanDerWaalsContact O-N 3.14Å; N482-S484 PolarHBondContact O-N 2.88Å; N482-R524 PolarHBondContact ND2-O 3.34Å; N482-S526 WeakPolarHBondContact CB-OG 3.34Å
483F91.9Very high91.1Very high24 Ų2447.4 Ų47.411%0.10523%0.225CC..  trans-65131.7179.6-82.625.2000111.1G479 K480 N481 H487 L488 D491 D525 I534G479-F483 PolarHBondContact N-O 3.48Å; K480-F483 WeakPolarHBondContact O-CB 3.21Å; K480-F483 WeakPolarHBondContact O-CG 3.45Å; K480-F483 PolarHBondContact O-N 3.32Å; N481-F483 HydrophobicContact CB-CD1 3.77Å; N481-F483 HydrophobicContact CB-CE1 3.77Å; N481-F483 PolarHBondContact O-N 3.07Å; F483-H487 HydrophobicContact CB-CB 4.01Å; F483-H487 HydrophobicContact CD2-CB 4Å; F483-H487 HydrophobicContact CG-CB 3.94Å; F483-L488 HydrophobicContact CB-CD2 4.29Å; F483-L488 HydrophobicContact CB-CG 4.17Å; F483-L488 HydrophobicContact CD2-CD2 3.85Å; F483-L488 HydrophobicContact CD2-CG 4.35Å; F483-D491 HydrophobicContact CE2-CB 4.45Å; F483-D525 HydrophobicContact CD1-CB 3.82Å; F483-D525 HydrophobicContact CE1-CB 3.92Å; F483-D525 WeakPolarHBondContact CE1-OD2 3.29Å; F483-I534 HydrophobicContact CZ-CD1 4.37Å
484S93.9Very high90.8Very high5 Ų546.6 Ų46.64%0.03522%0.221CC..  trans-82.4165.3170.575.60000110.9N482 L486 H487 L488 V523N482-S484 PolarHBondContact O-N 2.88Å; S484-L486 PolarHBondContact O-N 3.26Å; S484-L486 VanDerWaalsContact O-N 3.14Å; S484-L486 PolarHBondContact OG-N 3.33Å; S484-H487 PolarHBondContact N-ND1 3.44Å; S484-H487 WeakPolarHBondContact O-CB 3.35Å; S484-H487 PolarHBondContact O-N 2.98Å; S484-H487 PolarHBondContact OG-N 2.89Å; S484-H487 PolarHBondContact OG-ND1 3.2Å; S484-L488 PolarHBondContact O-N 3.49Å; S484-V523 WeakPolarHBondContact OG-CG1 3.43Å
485P94.4Very high90.4Very high4 Ų440.9 Ų40.93%0.02620%0.199CC..Hα-helixtrans-53.9-32.7171.4-27.836.4000113.2L446 F472 L473 P477 L488 A489L446-P485 HydrophobicContact CD2-CB 4.45Å; F472-P485 HydrophobicContact CE1-CB 3.8Å; F472-P485 HydrophobicContact CE1-CG 3.74Å; F472-P485 HydrophobicContact CE2-CG 4.5Å; F472-P485 HydrophobicContact CZ-CB 3.99Å; F472-P485 HydrophobicContact CZ-CG 3.57Å; L473-P485 HydrophobicContact CD2-CB 4.14Å; L473-P485 HydrophobicContact CD2-CG 4.18Å; P477-P485 HydrophobicContact CG-CG 3.84Å; P485-L488 PolarHBondContact O-N 3.49Å; P485-A489 WeakPolarHBondContact O-CB 3.43Å; P485-A489 PolarHBondContact O-N 3.36Å
486L94.4Very high89.8Confident2 Ų243.6 Ų43.61%0.0122%0.221CC..Hα-helixtrans-72.4-39.7177.3-168.959.5000112.2S484 L488 A489 V490 T511 L514 V515 A519 V521 P531 L547S484-L486 PolarHBondContact O-N 3.26Å; S484-L486 VanDerWaalsContact O-N 3.14Å; S484-L486 PolarHBondContact OG-N 3.33Å; L486-L488 VanDerWaalsContact C-N 3.32Å; L486-L488 PolarHBondContact O-N 3.14Å; L486-A489 PolarHBondContact O-N 3.49Å; L486-V490 WeakPolarHBondContact O-CG2 3.38Å; L486-V490 PolarHBondContact O-N 3Å; L486-T511 HydrophobicContact CD1-CG2 3.82Å; L486-L514 HydrophobicContact CD1-CB 4.33Å; L486-L514 HydrophobicContact CD1-CD1 4.38Å; L486-V515 HydrophobicContact CD1-CG2 4.06Å; L486-V515 HydrophobicContact CD2-CG2 4.31Å; L486-A519 HydrophobicContact CB-CB 4.4Å; L486-A519 HydrophobicContact CD2-CB 4.12Å; L486-V521 HydrophobicContact CD2-CG1 4.17Å; L486-P531 HydrophobicContact CB-CG 4.19Å; L486-P531 HydrophobicContact CD2-CB 4.14Å; L486-P531 HydrophobicContact CD2-CG 3.85Å; L486-P531 HydrophobicContact CG-CB 3.93Å; L486-P531 HydrophobicContact CG-CG 3.87Å; L486-L547 HydrophobicContact CD1-CD2 4.39Å; L486-L547 HydrophobicContact CD2-CD2 4.06Å; L486-L547 HydrophobicContact CG-CD2 4.46Å
487H94.4Very high89.2Confident0 Ų038.1 Ų38.10%020%0.197CC..Hα-helixtrans-58.4-45171.2-72.8103.7000111.4F483 S484 A489 V490 D491 V523 N529 P531F483-H487 HydrophobicContact CB-CB 4.01Å; F483-H487 HydrophobicContact CD2-CB 4Å; F483-H487 HydrophobicContact CG-CB 3.94Å; S484-H487 PolarHBondContact N-ND1 3.44Å; S484-H487 WeakPolarHBondContact O-CB 3.35Å; S484-H487 PolarHBondContact O-N 2.98Å; S484-H487 PolarHBondContact OG-N 2.89Å; S484-H487 PolarHBondContact OG-ND1 3.2Å; H487-A489 PolarHBondContact O-N 3.31Å; H487-V490 VanDerWaalsContact O-CG2 3.3Å; H487-V490 WeakPolarHBondContact O-CG2 3.48Å; H487-V490 PolarHBondContact O-N 3.47Å; H487-D491 WeakPolarHBondContact O-CB 3.33Å; H487-D491 PolarHBondContact O-N 3.49Å; H487-D491 VanDerWaalsContact O-N 3.14Å; H487-V523 PolarHBondContact CE1-O 3.4Å; H487-N529 PolarHBondContact NE2-O 2.9Å; H487-N529 VanDerWaalsContact NE2-O 3.13Å; H487-P531 WeakPolarHBondContact NE2-CD 3.45Å
488L92.4Very high88.5Confident4 Ų439.9 Ų39.92%0.02122%0.215CC..Hα-helixtrans-66.1-37179.1-69.6170.8000112.2L442 L446 F483 S484 P485 L486 V490 D491 T494L442-L488 HydrophobicContact CB-CD1 3.59Å; L442-L488 HydrophobicContact CD1-CD1 4.06Å; L442-L488 HydrophobicContact CG-CD1 4.49Å; L446-L488 HydrophobicContact CD1-CB 3.46Å; L446-L488 VanDerWaalsContact CD1-CB 3.46Å; F483-L488 HydrophobicContact CB-CD2 4.29Å; F483-L488 HydrophobicContact CB-CG 4.17Å; F483-L488 HydrophobicContact CD2-CD2 3.85Å; F483-L488 HydrophobicContact CD2-CG 4.35Å; S484-L488 PolarHBondContact O-N 3.49Å; P485-L488 PolarHBondContact O-N 3.49Å; L486-L488 VanDerWaalsContact C-N 3.32Å; L486-L488 PolarHBondContact O-N 3.14Å; L488-V490 PolarHBondContact O-N 3.14Å; L488-D491 PolarHBondContact O-N 3.27Å; L488-T494 WeakPolarHBondContact CA-OG1 3.28Å; L488-T494 HydrophobicContact CB-CG2 4.38Å; L488-T494 VanDerWaalsContact O-CB 3.23Å; L488-T494 WeakPolarHBondContact O-CB 3.35Å; L488-T494 WeakPolarHBondContact O-CG2 3.22Å; L488-T494 PolarHBondContact O-OG1 3.16Å
489A93.6Very high87.7Confident0 Ų046 Ų460%024%0.238CC..Hα-helixtrans-64.3-23.1177.700000113.6L446 P485 L486 H487 F505 P506 S507 V510 L514L446-A489 HydrophobicContact CD1-CB 4.33Å; P485-A489 WeakPolarHBondContact O-CB 3.43Å; P485-A489 PolarHBondContact O-N 3.36Å; L486-A489 PolarHBondContact O-N 3.49Å; H487-A489 PolarHBondContact O-N 3.31Å; A489-F505 WeakPolarHBondContact O-CD1 3.15Å; A489-P506 WeakPolarHBondContact O-CA 3.44Å; A489-S507 PolarHBondContact O-N 3.39Å; A489-S507 VanDerWaalsContact O-N 3.13Å; A489-V510 HydrophobicContact CB-CG1 4.17Å; A489-L514 HydrophobicContact CB-CD1 3.74Å
490V93Very high87.2Confident0 Ų052.7 Ų52.70%026%0.263CS..THydrogen-bonded Turntrans-107.54.5180-53.20000113.7L486 H487 L488 P506 T511 P531 I534 A535 N538 I543L486-V490 WeakPolarHBondContact O-CG2 3.38Å; L486-V490 PolarHBondContact O-N 3Å; H487-V490 VanDerWaalsContact O-CG2 3.3Å; H487-V490 WeakPolarHBondContact O-CG2 3.48Å; H487-V490 PolarHBondContact O-N 3.47Å; L488-V490 PolarHBondContact O-N 3.14Å; V490-P506 WeakPolarHBondContact O-CG 3.49Å; V490-T511 HydrophobicContact CG1-CG2 4.11Å; V490-P531 HydrophobicContact CG2-CB 4.23Å; V490-P531 WeakPolarHBondContact CG2-O 3.4Å; V490-I534 HydrophobicContact CG2-CB 3.91Å; V490-I534 HydrophobicContact CG2-CG2 3.91Å; V490-A535 HydrophobicContact CB-CB 4.23Å; V490-N538 PolarHBondContact O-ND2 2.88Å; V490-I543 HydrophobicContact CB-CG2 4.21Å; V490-I543 HydrophobicContact CG1-CG2 3.46Å; V490-I543 VanDerWaalsContact CG1-CG2 3.46Å
491D91.4Very high86.7Confident17 Ų1751.7 Ų51.79%0.09127%0.268CS..  trans-100.5135.2177.2-175.242000112.2F483 H487 L488 N493 T494 F505 I534F483-D491 HydrophobicContact CE2-CB 4.45Å; H487-D491 WeakPolarHBondContact O-CB 3.33Å; H487-D491 PolarHBondContact O-N 3.49Å; H487-D491 VanDerWaalsContact O-N 3.14Å; L488-D491 PolarHBondContact O-N 3.27Å; D491-N493 VanDerWaalsContact C-N 3.32Å; D491-N493 PolarHBondContact O-N 2.86Å; D491-N493 PolarHBondContact OD1-ND2 3.37Å; D491-N493 WeakPolarHBondContact OD2-CB 3.34Å; D491-N493 PolarHBondContact OD2-N 3.49Å; D491-N493 PolarHBondContact OD2-ND2 3Å; D491-T494 WeakPolarHBondContact O-CB 3.48Å; D491-T494 PolarHBondContact O-N 3.05Å; D491-T494 PolarHBondContact O-OG1 3.5Å; D491-F505 WeakPolarHBondContact O-CB 3.45Å; D491-I534 HydrophobicContact CB-CG2 3.91Å
492K88.3Confident86.5Confident120 Ų12048.3 Ų48.352%0.52225%0.25SS..G310 helixtrans-67-31.4178.867.9-175.4167-165.60113.3T494 T495 F505 N538K492-T494 PolarHBondContact O-N 3.32Å; K492-T495 WeakPolarHBondContact O-CB 3.44Å; K492-T495 PolarHBondContact O-N 2.91Å; K492-T495 VanDerWaalsContact O-N 3.13Å; K492-T495 PolarHBondContact O-OG1 3.03Å; K492-T495 VanDerWaalsContact O-OG1 3.07Å; K492-F505 WeakPolarHBondContact CA-O 3.3Å; K492-N538 WeakPolarHBondContact CB-OD1 3.28Å; K492-N538 WeakPolarHBondContact CD-OD1 3.35Å; K492-N538 WeakPolarHBondContact CG-OD1 3.47Å
493N86.4Confident86.4Confident108 Ų10845.6 Ų45.658%0.57824%0.236SC*.G310 helixtrans-69.4-21-176.4-48.9-59.3000111.7D491 T495 C496D491-N493 VanDerWaalsContact C-N 3.32Å; D491-N493 PolarHBondContact O-N 2.86Å; D491-N493 PolarHBondContact OD1-ND2 3.37Å; D491-N493 WeakPolarHBondContact OD2-CB 3.34Å; D491-N493 PolarHBondContact OD2-N 3.49Å; D491-N493 PolarHBondContact OD2-ND2 3Å; N493-T495 PolarHBondContact O-N 3.22Å; N493-T495 VanDerWaalsContact O-N 3.17Å; N493-C496 PolarHBondContact O-N 3.42Å
494T87.1Confident86.3Confident4 Ų452.7 Ų52.73%0.02527%0.267CS..G310 helixtrans-57.9-26.9173-57.10000112.1L446 H447 L488 D491 K492 C496 V497 F505L446-T494 HydrophobicContact CD1-CG2 4.2Å; H447-T494 PolarHBondContact CE1-O 3.4Å; L488-T494 WeakPolarHBondContact CA-OG1 3.28Å; L488-T494 HydrophobicContact CB-CG2 4.38Å; L488-T494 VanDerWaalsContact O-CB 3.23Å; L488-T494 WeakPolarHBondContact O-CB 3.35Å; L488-T494 WeakPolarHBondContact O-CG2 3.22Å; L488-T494 PolarHBondContact O-OG1 3.16Å; D491-T494 WeakPolarHBondContact O-CB 3.48Å; D491-T494 PolarHBondContact O-N 3.05Å; D491-T494 PolarHBondContact O-OG1 3.5Å; K492-T494 PolarHBondContact O-N 3.32Å; T494-C496 PolarHBondContact O-N 2.7Å; T494-V497 WeakPolarHBondContact O-CG2 3.24Å; T494-F505 HydrophobicContact CG2-CB 4.39Å; T494-F505 HydrophobicContact CG2-CD1 4.31Å; T494-F505 HydrophobicContact CG2-CD2 3.9Å; T494-F505 HydrophobicContact CG2-CE2 4.29Å; T494-F505 HydrophobicContact CG2-CG 3.92Å
495T84.6Confident86.1Confident33 Ų3352.9 Ų52.920%0.20227%0.267CS..G310 helixtrans-57.8-31.3177.7-57.40000113.2K492 N493 V497 F505K492-T495 WeakPolarHBondContact O-CB 3.44Å; K492-T495 PolarHBondContact O-N 2.91Å; K492-T495 VanDerWaalsContact O-N 3.13Å; K492-T495 PolarHBondContact O-OG1 3.03Å; K492-T495 VanDerWaalsContact O-OG1 3.07Å; N493-T495 PolarHBondContact O-N 3.22Å; N493-T495 VanDerWaalsContact O-N 3.17Å; T495-V497 PolarHBondContact O-N 3.5Å; T495-F505 PolarHBondContact OG1-N 3.37Å; T495-F505 PolarHBondContact OG1-O 3.18Å
496C78.4Confident86Confident111 Ų11154 Ų5475%0.7528%0.275SS*.  trans-94.772.9-171.8-64.40000112.2N493 T494N493-C496 PolarHBondContact O-N 3.42Å; T494-C496 PolarHBondContact O-N 2.7Å
497V78.6Confident85.8Confident22 Ų2254.3 Ų54.313%0.13328%0.277CS..SBendtrans-97.8-26.3-179.8-169.30000113.4L384 I444 H447 T494 T495L384-V497 HydrophobicContact CD1-CB 4.26Å; L384-V497 HydrophobicContact CD1-CG1 3.83Å; L384-V497 HydrophobicContact CD2-CG1 4.44Å; L384-V497 WeakPolarHBondContact CD2-O 3.39Å; I444-V497 HydrophobicContact CG1-CG1 3.68Å; H447-V497 WeakPolarHBondContact CE1-CG2 3.42Å; T494-V497 WeakPolarHBondContact O-CG2 3.24Å; T495-V497 PolarHBondContact O-N 3.5Å
498G75.3Confident85.7Confident37 Ų3757.2 Ų57.238%0.38129%0.292SS..SBendtrans-146-171.9-174.100000112.8Y500G498-Y500 VanDerWaalsContact C-N 3.32Å
499R73.9Confident85.7Confident211 Ų21162.8 Ų62.880%0.79632%0.318SS*.SBendtrans-71.9-32.8177.5-176.3178.8-70.6-177.3-2111
500Y75.9Confident85.7Confident145 Ų14562.8 Ų62.857%0.56932%0.318SS*.SBendtrans-109.1135.3-178.1-57.5-75.9000110.7G498 V502G498-Y500 VanDerWaalsContact C-N 3.32Å; Y500-V502 PolarHBondContact O-N 3.34Å
501P76.3Confident85.8Confident95 Ų9562.8 Ų62.862%0.61732%0.318SS*.  trans-69.7119.117828-32.8000110.1
502V83.9Confident85.9Confident9 Ų963.1 Ų63.16%0.05532%0.323CS..  trans-88.1-56.1178170.50000110.9A387 E388 S391 H447 L451 Y500A387-V502 HydrophobicContact CB-CG1 4.29Å; A387-V502 HydrophobicContact CB-CG2 4.38Å; E388-V502 HydrophobicContact CB-CG2 4.48Å; E388-V502 HydrophobicContact CG-CG2 3.86Å; S391-V502 PolarHBondContact OG-O 2.99Å; H447-V502 HydrophobicContact CB-CB 4.46Å; H447-V502 HydrophobicContact CB-CG1 3.85Å; L451-V502 HydrophobicContact CD1-CG1 3.85Å; L451-V502 HydrophobicContact CD2-CG1 4.14Å; L451-V502 HydrophobicContact CG-CG1 4.07Å; Y500-V502 PolarHBondContact O-N 3.34Å
503C87.4Confident86.2Confident6 Ų657.8 Ų57.84%0.04130%0.3CS..  trans-140157.8176-81.50000109.8H447 C450 F505H447-C503 PolarHBondContact CD2-N 3.48Å; H447-C503 PolarHBondContact NE2-O 3.48Å; C450-C503 HydrophobicContact CB-CB 3.78Å; C450-C503 WeakPolarHBondContact CB-SG 3.19Å; C450-C503 WeakPolarHBondContact SG-CB 3.39Å; C450-C503 CovalentContact SG-SG 2.04Å; C450-C503 PolarHBondContact SG-SG 3.09Å; C503-F505 HydrophobicContact CB-CE2 3.94Å
504K88.4Confident86.6Confident174 Ų17452.6 Ų52.676%0.75727%0.272SS*.  trans-96.9134.6174.9-66.2-174.2179.3-177.30109.7
505F90.3Very high86.9Confident9 Ų953.6 Ų53.64%0.03928%0.278CS..SBendtrans-119.4145.8171.5-68.7-89.4000109L446 H447 C450 A489 D491 K492 T494 T495 C503 V510L446-F505 HydrophobicContact CB-CE1 4.08Å; L446-F505 HydrophobicContact CB-CZ 3.8Å; H447-F505 AromaticContact CD2-CE2 3.77Å; H447-F505 AromaticContact CE1-CD2 3.72Å; H447-F505 AromaticContact CE1-CE2 3.31Å; H447-F505 WeakPolarHBondContact CE1-CE2 3.09Å; H447-F505 AromaticContact CG-CE2 3.95Å; H447-F505 AromaticContact ND1-CE2 3.67Å; H447-F505 AromaticContact NE2-CD2 3.76Å; H447-F505 AromaticContact NE2-CE2 3.4Å; H447-F505 WeakPolarHBondContact NE2-CE2 3.44Å; C450-F505 HydrophobicContact CB-CZ 4.42Å; A489-F505 WeakPolarHBondContact O-CD1 3.15Å; D491-F505 WeakPolarHBondContact O-CB 3.45Å; K492-F505 WeakPolarHBondContact CA-O 3.3Å; T494-F505 HydrophobicContact CG2-CB 4.39Å; T494-F505 HydrophobicContact CG2-CD1 4.31Å; T494-F505 HydrophobicContact CG2-CD2 3.9Å; T494-F505 HydrophobicContact CG2-CE2 4.29Å; T494-F505 HydrophobicContact CG2-CG 3.92Å; T495-F505 PolarHBondContact OG1-N 3.37Å; T495-F505 PolarHBondContact OG1-O 3.18Å; C503-F505 HydrophobicContact CB-CE2 3.94Å; F505-V510 HydrophobicContact CE1-CB 4.18Å; F505-V510 HydrophobicContact CE1-CG1 4.15Å; F505-V510 HydrophobicContact CE1-CG2 4.09Å; F505-V510 HydrophobicContact CZ-CG2 4.35Å
506P91.6Very high87.3Confident28 Ų2858 Ų5818%0.18230%0.297CS..SBendcis-63.5143.53.7-22.635.4000114.1A489 V490 N538 I543A489-P506 WeakPolarHBondContact O-CA 3.44Å; V490-P506 WeakPolarHBondContact O-CG 3.49Å; P506-N538 HydrophobicContact CG-CB 3.87Å; P506-I543 HydrophobicContact CB-CD1 3.39Å
507S91.8Very high88.1Confident8 Ų853.2 Ų53.26%0.05626%0.264CS..  trans-123.7118.8179.6174.20000111.5A489 Q509 V510 T511A489-S507 PolarHBondContact O-N 3.39Å; A489-S507 VanDerWaalsContact O-N 3.13Å; S507-Q509 PolarHBondContact OG-OE1 3.28Å; S507-V510 PolarHBondContact OG-N 3.37Å; S507-T511 WeakPolarHBondContact O-CB 3.44Å; S507-T511 PolarHBondContact O-N 3.5Å; S507-T511 PolarHBondContact O-OG1 3.36Å
508L92.2Very high88.6Confident60 Ų6054.8 Ų54.831%0.31429%0.285SS..Hα-helixtrans-63-42.7177.5-17766.4000111.8T511 A512 D542 I543 L546L508-T511 PolarHBondContact O-N 2.96Å; L508-A512 WeakPolarHBondContact O-CB 3.49Å; L508-A512 PolarHBondContact O-N 2.88Å; L508-D542 HydrophobicContact CD1-CB 4.3Å; L508-D542 HydrophobicContact CD2-CB 4.21Å; L508-I543 HydrophobicContact CB-CG1 4.19Å; L508-I543 HydrophobicContact CD1-CG1 3.88Å; L508-L546 HydrophobicContact CD1-CB 4.22Å; L508-L546 HydrophobicContact CD1-CD2 3.78Å
509Q91.8Very high89.5Confident122 Ų12253.6 Ų53.657%0.5727%0.271SS*.Hα-helixtrans-63.5-47.2-178.7-62.883.4-0.300111.6S507 T511 A512 I513S507-Q509 PolarHBondContact OG-OE1 3.28Å; Q509-T511 VanDerWaalsContact C-N 3.34Å; Q509-T511 PolarHBondContact O-N 3.29Å; Q509-A512 PolarHBondContact O-N 3.12Å; Q509-I513 PolarHBondContact O-N 2.97Å; Q509-I513 VanDerWaalsContact O-N 3.12Å
510V93.6Very high90.3Very high0 Ų048.2 Ų48.20%026%0.258CS..Hα-helixtrans-65.5-40.6177.7-179.80000110.6L446 I449 C450 A489 F505 S507 A512 I513 L514L446-V510 HydrophobicContact CD2-CG1 4Å; I449-V510 HydrophobicContact CG2-CG1 4.3Å; C450-V510 HydrophobicContact CB-CG2 3.67Å; A489-V510 HydrophobicContact CB-CG1 4.17Å; F505-V510 HydrophobicContact CE1-CB 4.18Å; F505-V510 HydrophobicContact CE1-CG1 4.15Å; F505-V510 HydrophobicContact CE1-CG2 4.09Å; F505-V510 HydrophobicContact CZ-CG2 4.35Å; S507-V510 PolarHBondContact OG-N 3.37Å; V510-A512 PolarHBondContact O-N 3.4Å; V510-I513 VanDerWaalsContact O-CG2 3.28Å; V510-I513 WeakPolarHBondContact O-CG2 3.49Å; V510-I513 PolarHBondContact O-N 3.44Å; V510-L514 HydrophobicContact CG1-CD1 4.06Å; V510-L514 HydrophobicContact CG1-CG 4.31Å; V510-L514 VanDerWaalsContact O-CG 3.22Å; V510-L514 WeakPolarHBondContact O-CG 3.44Å; V510-L514 PolarHBondContact O-N 2.87Å; V510-L514 VanDerWaalsContact O-N 3.09Å
511T94.1Very high91Very high0 Ų041.9 Ų41.90%024%0.235CC..Hα-helixtrans-60.7-46.3176.7-55.80000111.1L486 V490 S507 L508 Q509 L514 V515 I543 L546 L547L486-T511 HydrophobicContact CD1-CG2 3.82Å; V490-T511 HydrophobicContact CG1-CG2 4.11Å; S507-T511 WeakPolarHBondContact O-CB 3.44Å; S507-T511 PolarHBondContact O-N 3.5Å; S507-T511 PolarHBondContact O-OG1 3.36Å; L508-T511 PolarHBondContact O-N 2.96Å; Q509-T511 VanDerWaalsContact C-N 3.34Å; Q509-T511 PolarHBondContact O-N 3.29Å; T511-L514 PolarHBondContact O-N 3.01Å; T511-V515 VanDerWaalsContact O-CG2 3.31Å; T511-V515 WeakPolarHBondContact O-CG2 3.45Å; T511-V515 PolarHBondContact O-N 2.89Å; T511-I543 HydrophobicContact CG2-CG2 4.2Å; T511-L546 HydrophobicContact CG2-CD2 3.89Å; T511-L547 HydrophobicContact CG2-CD2 4.2Å
512A94.3Very high91.5Very high24 Ų2438.8 Ų38.820%0.19821%0.213CC..Hα-helixtrans-58.8-50.2178.900000112.2L508 Q509 V510 L514 V515 E516 L546L508-A512 WeakPolarHBondContact O-CB 3.49Å; L508-A512 PolarHBondContact O-N 2.88Å; Q509-A512 PolarHBondContact O-N 3.12Å; V510-A512 PolarHBondContact O-N 3.4Å; A512-L514 VanDerWaalsContact C-N 3.34Å; A512-L514 PolarHBondContact O-N 3.16Å; A512-V515 PolarHBondContact O-N 3.41Å; A512-E516 WeakPolarHBondContact O-CG 3.17Å; A512-E516 PolarHBondContact O-N 2.97Å; A512-L546 HydrophobicContact CB-CD2 3.86Å
513I93.9Very high91.9Very high7 Ų738.7 Ų38.74%0.03621%0.213CC..Hα-helixtrans-66.7-34.8-178.8-168161.2000112.8I449 E453 K465 K466 I469 Q509 V510 C517I449-I513 HydrophobicContact CG2-CG2 3.8Å; E453-I513 WeakPolarHBondContact OE1-CD1 3.43Å; K465-I513 HydrophobicContact CD-CD1 3.92Å; K465-I513 HydrophobicContact CG-CD1 4.36Å; K466-I513 HydrophobicContact CG-CD1 4.47Å; I469-I513 HydrophobicContact CD1-CD1 3.73Å; I469-I513 HydrophobicContact CD1-CG1 3.89Å; I469-I513 HydrophobicContact CD1-CG2 4.49Å; Q509-I513 PolarHBondContact O-N 2.97Å; Q509-I513 VanDerWaalsContact O-N 3.12Å; V510-I513 VanDerWaalsContact O-CG2 3.28Å; V510-I513 WeakPolarHBondContact O-CG2 3.49Å; V510-I513 PolarHBondContact O-N 3.44Å; I513-C517 WeakPolarHBondContact O-CB 3.39Å; I513-C517 PolarHBondContact O-N 3.26Å; I513-C517 PolarHBondContact O-SG 3.29Å
514L95.1Very high92Very high0 Ų040.2 Ų40.20%022%0.217CC..Hα-helixtrans-63.7-43.3175-70.2177000111.3L446 I449 I469 L473 L486 A489 V510 T511 A512 C517 G518 A519L446-L514 HydrophobicContact CD2-CD1 3.82Å; L446-L514 HydrophobicContact CD2-CD2 4.42Å; I449-L514 HydrophobicContact CD1-CD2 4.34Å; I469-L514 HydrophobicContact CG2-CD2 3.83Å; L473-L514 HydrophobicContact CD1-CD2 4.32Å; L473-L514 WeakPolarHBondContact CD1-O 3.5Å; L473-L514 HydrophobicContact CD2-CD2 4.22Å; L486-L514 HydrophobicContact CD1-CB 4.33Å; L486-L514 HydrophobicContact CD1-CD1 4.38Å; A489-L514 HydrophobicContact CB-CD1 3.74Å; V510-L514 HydrophobicContact CG1-CD1 4.06Å; V510-L514 HydrophobicContact CG1-CG 4.31Å; V510-L514 VanDerWaalsContact O-CG 3.22Å; V510-L514 WeakPolarHBondContact O-CG 3.44Å; V510-L514 PolarHBondContact O-N 2.87Å; V510-L514 VanDerWaalsContact O-N 3.09Å; T511-L514 PolarHBondContact O-N 3.01Å; A512-L514 VanDerWaalsContact C-N 3.34Å; A512-L514 PolarHBondContact O-N 3.16Å; L514-C517 CarbonylContact O-C 3.53Å; L514-C517 PolarHBondContact O-N 3Å; L514-G518 PolarHBondContact O-N 3.41Å; L514-A519 HydrophobicContact CB-CB 4.12Å; L514-A519 WeakPolarHBondContact O-CB 3.06Å; L514-A519 PolarHBondContact O-N 3.16Å
515V94.2Very high92.1Very high25 Ų2532.3 Ų32.315%0.15218%0.184CC..Hα-helixtrans-67.7-43.5178.1173.60000111.3L486 T511 A512 C517 G518 V521 L547 S550L486-V515 HydrophobicContact CD1-CG2 4.06Å; L486-V515 HydrophobicContact CD2-CG2 4.31Å; T511-V515 VanDerWaalsContact O-CG2 3.31Å; T511-V515 WeakPolarHBondContact O-CG2 3.45Å; T511-V515 PolarHBondContact O-N 2.89Å; A512-V515 PolarHBondContact O-N 3.41Å; V515-C517 PolarHBondContact O-N 3.4Å; V515-G518 PolarHBondContact O-N 2.96Å; V515-V521 HydrophobicContact CG1-CG1 4.26Å; V515-V521 HydrophobicContact CG2-CG1 4.01Å; V515-L547 HydrophobicContact CG2-CD2 4.35Å; V515-S550 VanDerWaalsContact CG1-OG 3.32Å; V515-S550 WeakPolarHBondContact CG1-OG 3.19Å
516E93.4Very high92.1Very high126 Ų12635.5 Ų35.559%0.58921%0.207SC*.Hα-helixtrans-56.9-35.4172.2-75.6-179.8-159.600112.2K466 A512 G518K466-E516 WeakPolarHBondContact CE-OE2 3.41Å; K466-E516 IonicContact NZ-OE2 3.34Å; K466-E516 PolarHBondContact NZ-OE2 2.75Å; A512-E516 WeakPolarHBondContact O-CG 3.17Å; A512-E516 PolarHBondContact O-N 2.97Å; E516-G518 PolarHBondContact O-N 3.31Å
517C94Very high91.9Very high9 Ų937.9 Ų37.96%0.06122%0.218CC..THydrogen-bonded Turntrans-84.612.7177-62.70000113.6I469 Y470 L473 I513 L514 V515I469-C517 HydrophobicContact CB-CB 4.2Å; I469-C517 HydrophobicContact CG2-CB 3.65Å; Y470-C517 VanDerWaalsContact CD2-O 3.29Å; Y470-C517 WeakPolarHBondContact CD2-O 3.37Å; L473-C517 HydrophobicContact CD1-CB 3.86Å; I513-C517 WeakPolarHBondContact O-CB 3.39Å; I513-C517 PolarHBondContact O-N 3.26Å; I513-C517 PolarHBondContact O-SG 3.29Å; L514-C517 CarbonylContact O-C 3.53Å; L514-C517 PolarHBondContact O-N 3Å; V515-C517 PolarHBondContact O-N 3.4Å
518G90.6Very high91.7Very high55 Ų5539.6 Ų39.657%0.56723%0.227SC*.THydrogen-bonded Turntrans8626.6172.100000115.4L514 V515 E516 D520L514-G518 PolarHBondContact O-N 3.41Å; V515-G518 PolarHBondContact O-N 2.96Å; E516-G518 PolarHBondContact O-N 3.31Å; G518-D520 PolarHBondContact O-N 3.06Å
519A92.8Very high91.5Very high12 Ų1237.3 Ų37.310%0.09922%0.215CC..  trans-63.4132.7169.600000110.7L473 L486 L514 V521L473-A519 HydrophobicContact CD1-CB 3.95Å; L473-A519 HydrophobicContact CD2-CB 4.1Å; L486-A519 HydrophobicContact CB-CB 4.4Å; L486-A519 HydrophobicContact CD2-CB 4.12Å; L514-A519 HydrophobicContact CB-CB 4.12Å; L514-A519 WeakPolarHBondContact O-CB 3.06Å; L514-A519 PolarHBondContact O-N 3.16Å; A519-V521 PolarHBondContact O-N 3.35Å
520D90.6Very high91.5Very high98 Ų9831.5 Ų31.552%0.52419%0.188SC..  trans-69113.4174.8178.38.9000110.3G518 N522 V523G518-D520 PolarHBondContact O-N 3.06Å; D520-N522 VanDerWaalsContact C-N 3.29Å; D520-N522 PolarHBondContact O-N 2.89Å; D520-N522 PolarHBondContact OD1-N 3.13Å; D520-V523 HydrophobicContact CB-CB 4.24Å; D520-V523 WeakPolarHBondContact O-CG1 3.47Å; D520-V523 PolarHBondContact OD1-N 3.17Å
521V90.5Very high91.4Very high12 Ų1231.5 Ų31.57%0.07319%0.188CC..THydrogen-bonded Turntrans-74.1-17.6-179.5-640000113.4L486 V515 A519 P531 L547L486-V521 HydrophobicContact CD2-CG1 4.17Å; V515-V521 HydrophobicContact CG1-CG1 4.26Å; V515-V521 HydrophobicContact CG2-CG1 4.01Å; A519-V521 PolarHBondContact O-N 3.35Å; V521-P531 WeakPolarHBondContact O-CD 3.47Å; V521-L547 HydrophobicContact CB-CD2 4.5Å; V521-L547 HydrophobicContact CG1-CD2 4.14Å
522N88.4Confident91.2Very high31 Ų3131.5 Ų31.517%0.16619%0.188CC..THydrogen-bonded Turntrans-1078.1-176.9-71-54.6000113.5D520 R524 G551 S552 H553D520-N522 VanDerWaalsContact C-N 3.29Å; D520-N522 PolarHBondContact O-N 2.89Å; D520-N522 PolarHBondContact OD1-N 3.13Å; N522-R524 PolarHBondContact O-NE 3.22Å; N522-R524 VanDerWaalsContact O-NE 3.08Å; N522-G551 PolarHBondContact ND2-O 3.18Å; N522-S552 WeakPolarHBondContact OD1-CA 3.44Å; N522-H553 VanDerWaalsContact CG-CD2 3.43Å; N522-H553 PolarHBondContact ND2-CD2 3.48Å; N522-H553 PolarHBondContact OD1-CD2 3.21Å; N522-H553 PolarHBondContact OD1-N 2.84Å
523V90.7Very high91Very high7 Ų730.4 Ų30.44%0.04218%0.179CC..  trans-54145.2175.662.90000112R478 S484 H487 D520 S530 P531R478-V523 VanDerWaalsContact CZ-CG2 3.44Å; S484-V523 WeakPolarHBondContact OG-CG1 3.43Å; H487-V523 PolarHBondContact CE1-O 3.4Å; D520-V523 HydrophobicContact CB-CB 4.24Å; D520-V523 WeakPolarHBondContact O-CG1 3.47Å; D520-V523 PolarHBondContact OD1-N 3.17Å; V523-S530 WeakPolarHBondContact O-CA 3.31Å; V523-P531 HydrophobicContact CG1-CG 3.69Å; V523-P531 WeakPolarHBondContact O-CD 3.41Å
524R89.6Confident90.8Very high37 Ų3730.5 Ų30.514%0.1418%0.179CC..  trans-114135.7-175.3-56.4-63.7166.3162.6-2.6112.7N482 N522 N528 N529N482-R524 PolarHBondContact ND2-O 3.34Å; N522-R524 PolarHBondContact O-NE 3.22Å; N522-R524 VanDerWaalsContact O-NE 3.08Å; R524-N528 WeakPolarHBondContact CD-O 3.4Å; R524-N528 VanDerWaalsContact CD-OD1 3.31Å; R524-N528 WeakPolarHBondContact CD-OD1 3.36Å; R524-N528 VanDerWaalsContact CG-OD1 3.31Å; R524-N528 WeakPolarHBondContact CG-OD1 3.29Å; R524-N528 PolarHBondContact NH1-O 3.06Å; R524-N529 WeakPolarHBondContact CA-O 3.35Å
525D91Very high90.5Very high9 Ų930.5 Ų30.55%0.04818%0.179CC..  trans-82.2-171.8170.178.8-2.7000111.8N481 F483 D527 N528 N529N481-D525 WeakPolarHBondContact O-CB 3.34Å; F483-D525 HydrophobicContact CD1-CB 3.82Å; F483-D525 HydrophobicContact CE1-CB 3.92Å; F483-D525 WeakPolarHBondContact CE1-OD2 3.29Å; D525-D527 VanDerWaalsContact C-N 3.28Å; D525-D527 PolarHBondContact O-N 3.4Å; D525-D527 VanDerWaalsContact OD1-C 3.31Å; D525-D527 WeakPolarHBondContact OD1-CA 3.48Å; D525-D527 PolarHBondContact OD1-N 3.23Å; D525-N528 PolarHBondContact O-N 2.94Å; D525-N528 PolarHBondContact OD1-N 3.27Å; D525-N529 PolarHBondContact N-O 2.93Å; D525-N529 WeakPolarHBondContact OD1-CB 3.43Å; D525-N529 PolarHBondContact OD1-N 3.46Å; D525-N529 WeakPolarHBondContact OD2-CB 3.22Å; D525-N529 PolarHBondContact OD2-ND2 2.96Å
526S89.4Confident90.2Very high76 Ų7629.3 Ų29.353%0.53117%0.172SC..THydrogen-bonded Turntrans-64.6-27.4178.7-69.10000114.5N481 N482 N528N481-S526 PolarHBondContact O-N 3.14Å; N481-S526 PolarHBondContact O-OG 2.89Å; N482-S526 WeakPolarHBondContact CB-OG 3.34Å; S526-N528 VanDerWaalsContact C-N 3.33Å
527D87.6Confident89.9Confident77 Ų7727.3 Ų27.341%0.41216%0.164SC..THydrogen-bonded Turntrans-9813179.4-63.6-42.5000111.4D525 N529 S559D525-D527 VanDerWaalsContact C-N 3.28Å; D525-D527 PolarHBondContact O-N 3.4Å; D525-D527 VanDerWaalsContact OD1-C 3.31Å; D525-D527 WeakPolarHBondContact OD1-CA 3.48Å; D525-D527 PolarHBondContact OD1-N 3.23Å; D527-N529 WeakPolarHBondContact CB-ND2 3.18Å; D527-N529 PolarHBondContact O-N 2.97Å; D527-S559 VanDerWaalsContact O-CB 3.28Å; D527-S559 WeakPolarHBondContact O-CB 3.44Å; D527-S559 PolarHBondContact O-N 2.95Å; D527-S559 PolarHBondContact O-OG 3.27Å
528N87.5Confident89.6Confident44 Ų4428.2 Ų28.224%0.23517%0.169CC..SBendtrans63.217.3-177-156.735.1000114.5R524 D525 S526 T557 S559R524-N528 WeakPolarHBondContact CD-O 3.4Å; R524-N528 VanDerWaalsContact CD-OD1 3.31Å; R524-N528 WeakPolarHBondContact CD-OD1 3.36Å; R524-N528 VanDerWaalsContact CG-OD1 3.31Å; R524-N528 WeakPolarHBondContact CG-OD1 3.29Å; R524-N528 PolarHBondContact NH1-O 3.06Å; D525-N528 PolarHBondContact O-N 2.94Å; D525-N528 PolarHBondContact OD1-N 3.27Å; S526-N528 VanDerWaalsContact C-N 3.33Å; N528-T557 PolarHBondContact ND2-O 3.41Å; N528-S559 WeakPolarHBondContact CB-OG 3.46Å
529N88.6Confident89.2Confident13 Ų1328.2 Ų28.27%0.0716%0.156CC..  trans-69.2143.4169.6-57.5-59.7000109.5H487 R524 D525 D527 H533 I534 N558H487-N529 PolarHBondContact NE2-O 2.9Å; H487-N529 VanDerWaalsContact NE2-O 3.13Å; R524-N529 WeakPolarHBondContact CA-O 3.35Å; D525-N529 PolarHBondContact N-O 2.93Å; D525-N529 WeakPolarHBondContact OD1-CB 3.43Å; D525-N529 PolarHBondContact OD1-N 3.46Å; D525-N529 WeakPolarHBondContact OD2-CB 3.22Å; D525-N529 PolarHBondContact OD2-ND2 2.96Å; D527-N529 WeakPolarHBondContact CB-ND2 3.18Å; D527-N529 PolarHBondContact O-N 2.97Å; N529-H533 HydrophobicContact CB-CB 3.87Å; N529-I534 HydrophobicContact CB-CD1 3.98Å; N529-I534 HydrophobicContact CB-CG1 4.43Å; N529-N558 WeakPolarHBondContact OD1-CB 3.33Å; N529-N558 PolarHBondContact OD1-ND2 2.97Å; N529-N558 VanDerWaalsContact OD1-ND2 3.16Å
530S91.4Very high88.8Confident0 Ų030 Ų300%016%0.162CC..  trans-95.7167165.472.40000110.8V523 L532 H533 I534V523-S530 WeakPolarHBondContact O-CA 3.31Å; S530-L532 PolarHBondContact O-N 3.4Å; S530-L532 PolarHBondContact OG-N 3.21Å; S530-H533 PolarHBondContact N-ND1 3.33Å; S530-H533 WeakPolarHBondContact O-CB 3.39Å; S530-H533 PolarHBondContact O-N 3.39Å; S530-H533 PolarHBondContact OG-ND1 3.06Å; S530-I534 PolarHBondContact O-N 2.97Å
531P92.1Very high88.4Confident0 Ų026.5 Ų26.50%015%0.145CC..Hα-helixtrans-52.5-30.7171.9-28.435.6000113.3L486 H487 V490 V521 V523 I534 A535 L547L486-P531 HydrophobicContact CB-CG 4.19Å; L486-P531 HydrophobicContact CD2-CB 4.14Å; L486-P531 HydrophobicContact CD2-CG 3.85Å; L486-P531 HydrophobicContact CG-CB 3.93Å; L486-P531 HydrophobicContact CG-CG 3.87Å; H487-P531 WeakPolarHBondContact NE2-CD 3.45Å; V490-P531 HydrophobicContact CG2-CB 4.23Å; V490-P531 WeakPolarHBondContact CG2-O 3.4Å; V521-P531 WeakPolarHBondContact O-CD 3.47Å; V523-P531 HydrophobicContact CG1-CG 3.69Å; V523-P531 WeakPolarHBondContact O-CD 3.41Å; P531-I534 PolarHBondContact O-N 3.26Å; P531-A535 WeakPolarHBondContact O-CB 3.32Å; P531-A535 PolarHBondContact O-N 3.18Å; P531-L547 HydrophobicContact CB-CD1 4.1Å; P531-L547 HydrophobicContact CB-CD2 4.48Å
532L90.1Very high88.2Confident0 Ų030.3 Ų30.30%017%0.165CC..Hα-helixtrans-65.4-38.4175.2-175.165.4000112.6S530 A535 A536 M544 L547 I548 S552 F554 A564S530-L532 PolarHBondContact O-N 3.4Å; S530-L532 PolarHBondContact OG-N 3.21Å; L532-A535 PolarHBondContact O-N 2.94Å; L532-A536 WeakPolarHBondContact O-CB 3.48Å; L532-A536 PolarHBondContact O-N 3.24Å; L532-M544 HydrophobicContact CD1-CB 3.83Å; L532-M544 HydrophobicContact CD1-CE 4.05Å; L532-M544 HydrophobicContact CD1-CG 3.96Å; L532-L547 HydrophobicContact CB-CD1 4.43Å; L532-L547 HydrophobicContact CD1-CB 4.33Å; L532-L547 HydrophobicContact CD1-CD1 4.47Å; L532-I548 HydrophobicContact CD1-CD1 4.35Å; L532-I548 HydrophobicContact CD1-CG1 4.06Å; L532-I548 HydrophobicContact CD2-CG1 4.29Å; L532-S552 WeakPolarHBondContact CB-OG 3.5Å; L532-S552 WeakPolarHBondContact CD2-OG 3.44Å; L532-F554 HydrophobicContact CD2-CD2 4.19Å; L532-A564 HydrophobicContact CD2-CB 3.9Å; L532-A564 HydrophobicContact CG-CB 3.69Å
533H90.1Very high88.1Confident1 Ų128.9 Ų28.91%0.00516%0.157CC..Hα-helixtrans-65.2-43.7175.3-66.184.3000111.1N529 S530 A536 L537 A556 Q562 L567N529-H533 HydrophobicContact CB-CB 3.87Å; S530-H533 PolarHBondContact N-ND1 3.33Å; S530-H533 WeakPolarHBondContact O-CB 3.39Å; S530-H533 PolarHBondContact O-N 3.39Å; S530-H533 PolarHBondContact OG-ND1 3.06Å; H533-A536 WeakPolarHBondContact O-CB 3.4Å; H533-A536 PolarHBondContact O-N 3.19Å; H533-L537 WeakPolarHBondContact O-CG 3.45Å; H533-L537 PolarHBondContact O-N 3.2Å; H533-A556 PolarHBondContact CE1-O 3.23Å; H533-A556 PolarHBondContact NE2-O 3.27Å; H533-Q562 PolarHBondContact NE2-O 3.23Å; H533-L567 HydrophobicContact CB-CD1 3.84Å
534I89.8Confident88Confident8 Ų828.5 Ų28.54%0.04116%0.155CC..Hα-helixtrans-67.4-38.5178-56.1-52.9000111.4F483 V490 D491 N529 S530 P531 A536 L537 N538F483-I534 HydrophobicContact CZ-CD1 4.37Å; V490-I534 HydrophobicContact CG2-CB 3.91Å; V490-I534 HydrophobicContact CG2-CG2 3.91Å; D491-I534 HydrophobicContact CB-CG2 3.91Å; N529-I534 HydrophobicContact CB-CD1 3.98Å; N529-I534 HydrophobicContact CB-CG1 4.43Å; S530-I534 PolarHBondContact O-N 2.97Å; P531-I534 PolarHBondContact O-N 3.26Å; I534-A536 VanDerWaalsContact C-N 3.32Å; I534-A536 PolarHBondContact O-N 2.86Å; I534-L537 HydrophobicContact CD1-CD1 4.13Å; I534-L537 PolarHBondContact O-N 3.1Å; I534-N538 PolarHBondContact O-N 3.38Å; I534-N538 VanDerWaalsContact O-N 3.14Å; I534-N538 PolarHBondContact O-ND2 3.4Å
535A89.2Confident87.8Confident0 Ų029 Ų290%016%0.16CC..Hα-helixtrans-63.6-37.6173.800000112.2V490 P531 L532 N538 N539 H540 I543 M544 L547V490-A535 HydrophobicContact CB-CB 4.23Å; P531-A535 WeakPolarHBondContact O-CB 3.32Å; P531-A535 PolarHBondContact O-N 3.18Å; L532-A535 PolarHBondContact O-N 2.94Å; A535-N538 PolarHBondContact O-N 3.43Å; A535-N539 PolarHBondContact O-N 3.29Å; A535-H540 PolarHBondContact O-N 3.27Å; A535-I543 HydrophobicContact CB-CG2 3.86Å; A535-M544 HydrophobicContact CB-CG 3.82Å; A535-L547 HydrophobicContact CB-CD1 4.21Å
536A87.1Confident87.7Confident0 Ų030.5 Ų30.50%017%0.168CC..Hα-helixtrans-65.9-46.3174.300000112L532 H533 I534 N538 N539 M544 A564 L567 L568L532-A536 WeakPolarHBondContact O-CB 3.48Å; L532-A536 PolarHBondContact O-N 3.24Å; H533-A536 WeakPolarHBondContact O-CB 3.4Å; H533-A536 PolarHBondContact O-N 3.19Å; I534-A536 VanDerWaalsContact C-N 3.32Å; I534-A536 PolarHBondContact O-N 2.86Å; A536-N538 PolarHBondContact O-N 3.23Å; A536-N539 PolarHBondContact O-N 3.5Å; A536-N539 PolarHBondContact O-OD1 3.04Å; A536-M544 HydrophobicContact CB-CE 3.84Å; A536-M544 HydrophobicContact CB-SD 4.04Å; A536-A564 HydrophobicContact CB-CB 4.24Å; A536-A564 WeakPolarHBondContact CB-O 3.36Å; A536-L567 HydrophobicContact CB-CB 4.22Å; A536-L568 HydrophobicContact CB-CD2 4.04Å; A536-L568 HydrophobicContact CB-CG 4.22Å
537L87.9Confident87.6Confident84 Ų8426.9 Ų26.944%0.4414%0.143SC..Hα-helixtrans-58.5-29.2175.6-76.5170.5000113.5H533 I534 L567H533-L537 WeakPolarHBondContact O-CG 3.45Å; H533-L537 PolarHBondContact O-N 3.2Å; I534-L537 HydrophobicContact CD1-CD1 4.13Å; I534-L537 PolarHBondContact O-N 3.1Å; L537-L567 HydrophobicContact CD1-CD1 4.34Å; L537-L567 HydrophobicContact CD2-CB 4.06Å; L537-L567 HydrophobicContact CD2-CD1 4.3Å; L537-L567 HydrophobicContact CD2-CD2 4.05Å; L537-L567 HydrophobicContact CD2-CG 4.36Å; L537-L567 HydrophobicContact CG-CB 4.22Å; L537-L567 HydrophobicContact CG-CD1 4.01Å
538N86.3Confident87.5Confident28 Ų2824.1 Ų24.115%0.1513%0.128CC..THydrogen-bonded Turntrans-93.75.9176.8-70.5-66.9000113.3V490 K492 P506 I534 A535 A536 H540V490-N538 PolarHBondContact O-ND2 2.88Å; K492-N538 WeakPolarHBondContact CB-OD1 3.28Å; K492-N538 WeakPolarHBondContact CD-OD1 3.35Å; K492-N538 WeakPolarHBondContact CG-OD1 3.47Å; P506-N538 HydrophobicContact CG-CB 3.87Å; I534-N538 PolarHBondContact O-N 3.38Å; I534-N538 VanDerWaalsContact O-N 3.14Å; I534-N538 PolarHBondContact O-ND2 3.4Å; A535-N538 PolarHBondContact O-N 3.43Å; A536-N538 PolarHBondContact O-N 3.23Å; N538-H540 PolarHBondContact O-N 3.29Å
539N83.5Confident87.5Confident55 Ų5530.7 Ų30.729%0.29415%0.154SC..THydrogen-bonded Turntrans52.145.5177.4-67.9-37.2000114.2A535 A536 P541A535-N539 PolarHBondContact O-N 3.29Å; A536-N539 PolarHBondContact O-N 3.5Å; A536-N539 PolarHBondContact O-OD1 3.04Å; N539-P541 VanDerWaalsContact O-CD 3.24Å; N539-P541 WeakPolarHBondContact O-CD 3.31Å
540H82.8Confident87.4Confident49 Ų4932.5 Ų32.523%0.22717%0.168CC..  trans-11185.9-178.3-154.2-46.6000112.8A535 N538 D542 I543 M544A535-H540 PolarHBondContact O-N 3.27Å; N538-H540 PolarHBondContact O-N 3.29Å; H540-D542 PolarHBondContact O-N 2.88Å; H540-I543 HydrophobicContact CB-CB 4.35Å; H540-I543 HydrophobicContact CB-CD1 4.17Å; H540-I543 HydrophobicContact CB-CG1 4.5Å; H540-I543 PolarHBondContact O-N 3.07Å; H540-M544 PolarHBondContact O-N 3.29Å
541P82.8Confident87Confident26 Ų2634.5 Ų34.517%0.16919%0.188CC..Hα-helixtrans-64.5-33.7-169.324.8-34.6000114.1N539 I543 M544 N545 A574 L577 I578N539-P541 VanDerWaalsContact O-CD 3.24Å; N539-P541 WeakPolarHBondContact O-CD 3.31Å; P541-I543 VanDerWaalsContact C-N 3.33Å; P541-I543 PolarHBondContact O-N 2.74Å; P541-M544 WeakPolarHBondContact O-CB 3.31Å; P541-M544 PolarHBondContact O-N 2.95Å; P541-N545 WeakPolarHBondContact O-CB 3.38Å; P541-N545 PolarHBondContact O-N 3.47Å; P541-N545 PolarHBondContact O-ND2 2.84Å; P541-A574 HydrophobicContact CB-CB 4.42Å; P541-L577 HydrophobicContact CB-CD1 4.35Å; P541-L577 HydrophobicContact CG-CD1 4.35Å; P541-I578 HydrophobicContact CB-CD1 4.45Å
542D85.8Confident86.6Confident92 Ų9234.9 Ų34.949%0.49219%0.191SC..Hα-helixtrans-64.5-38.5179-60.6-40.5000112.7L508 H540 N545 L546L508-D542 HydrophobicContact CD1-CB 4.3Å; L508-D542 HydrophobicContact CD2-CB 4.21Å; H540-D542 PolarHBondContact O-N 2.88Å; D542-N545 PolarHBondContact O-N 3.32Å; D542-L546 PolarHBondContact O-N 2.96Å
543I87.7Confident86.1Confident0 Ų037.1 Ų37.10%020%0.202CC..Hα-helixtrans-69.3-41.5176.6-70.2177.1000109.7V490 P506 L508 T511 A535 H540 P541 N545 L546 L547V490-I543 HydrophobicContact CB-CG2 4.21Å; V490-I543 HydrophobicContact CG1-CG2 3.46Å; V490-I543 VanDerWaalsContact CG1-CG2 3.46Å; P506-I543 HydrophobicContact CB-CD1 3.39Å; L508-I543 HydrophobicContact CB-CG1 4.19Å; L508-I543 HydrophobicContact CD1-CG1 3.88Å; T511-I543 HydrophobicContact CG2-CG2 4.2Å; A535-I543 HydrophobicContact CB-CG2 3.86Å; H540-I543 HydrophobicContact CB-CB 4.35Å; H540-I543 HydrophobicContact CB-CD1 4.17Å; H540-I543 HydrophobicContact CB-CG1 4.5Å; H540-I543 PolarHBondContact O-N 3.07Å; P541-I543 VanDerWaalsContact C-N 3.33Å; P541-I543 PolarHBondContact O-N 2.74Å; I543-N545 PolarHBondContact O-N 2.9Å; I543-L546 WeakPolarHBondContact O-CB 3.39Å; I543-L546 PolarHBondContact O-N 2.9Å; I543-L547 HydrophobicContact CG2-CD1 4.1Å; I543-L547 HydrophobicContact CG2-CG 4.47Å; I543-L547 WeakPolarHBondContact O-CG 3.45Å; I543-L547 PolarHBondContact O-N 3.07Å
544M87.8Confident85.4Confident0 Ų037.3 Ų37.30%020%0.202CC..Hα-helixtrans-60-46.7174.5-64.6179.268.800111.4L532 A535 A536 H540 P541 L546 L547 I548 A564 L568 I578L532-M544 HydrophobicContact CD1-CB 3.83Å; L532-M544 HydrophobicContact CD1-CE 4.05Å; L532-M544 HydrophobicContact CD1-CG 3.96Å; A535-M544 HydrophobicContact CB-CG 3.82Å; A536-M544 HydrophobicContact CB-CE 3.84Å; A536-M544 HydrophobicContact CB-SD 4.04Å; H540-M544 PolarHBondContact O-N 3.29Å; P541-M544 WeakPolarHBondContact O-CB 3.31Å; P541-M544 PolarHBondContact O-N 2.95Å; M544-L546 VanDerWaalsContact C-N 3.3Å; M544-L546 PolarHBondContact O-N 3.43Å; M544-L547 PolarHBondContact O-N 3.28Å; M544-I548 WeakPolarHBondContact O-CB 3.47Å; M544-I548 WeakPolarHBondContact O-CD1 3.37Å; M544-I548 WeakPolarHBondContact O-CG1 3.33Å; M544-I548 PolarHBondContact O-N 3.46Å; M544-A564 HydrophobicContact CE-CB 4.5Å; M544-L568 HydrophobicContact CE-CD1 4.17Å; M544-L568 HydrophobicContact CE-CD2 4.21Å; M544-L568 HydrophobicContact CE-CG 4.38Å; M544-L568 HydrophobicContact SD-CD2 3.83Å; M544-I578 HydrophobicContact CB-CD1 3.57Å; M544-I578 HydrophobicContact CE-CD1 3.72Å; M544-I578 HydrophobicContact CG-CD1 4.29Å; M544-I578 HydrophobicContact SD-CD1 3.76Å
545N86.1Confident84.8Confident47 Ų4737 Ų3725%0.25120%0.201SC..Hα-helixtrans-59.1-41177.2-79-28.8000112.3P541 D542 I543 K549P541-N545 WeakPolarHBondContact O-CB 3.38Å; P541-N545 PolarHBondContact O-N 3.47Å; P541-N545 PolarHBondContact O-ND2 2.84Å; D542-N545 PolarHBondContact O-N 3.32Å; I543-N545 PolarHBondContact O-N 2.9Å; N545-K549 WeakPolarHBondContact O-CB 3.5Å; N545-K549 VanDerWaalsContact O-CG 3.27Å; N545-K549 WeakPolarHBondContact O-CG 3.41Å; N545-K549 PolarHBondContact O-N 3.01Å
546L88Confident84.3Confident41 Ų4137 Ų3722%0.21520%0.201CC..Hα-helixtrans-62-51.1174.3176.367000111.3L508 T511 A512 D542 I543 M544 I548 K549 S550L508-L546 HydrophobicContact CD1-CB 4.22Å; L508-L546 HydrophobicContact CD1-CD2 3.78Å; T511-L546 HydrophobicContact CG2-CD2 3.89Å; A512-L546 HydrophobicContact CB-CD2 3.86Å; D542-L546 PolarHBondContact O-N 2.96Å; I543-L546 WeakPolarHBondContact O-CB 3.39Å; I543-L546 PolarHBondContact O-N 2.9Å; M544-L546 VanDerWaalsContact C-N 3.3Å; M544-L546 PolarHBondContact O-N 3.43Å; L546-I548 VanDerWaalsContact C-N 3.32Å; L546-I548 PolarHBondContact O-N 3.36Å; L546-K549 PolarHBondContact O-N 3.31Å; L546-S550 WeakPolarHBondContact O-CB 3.2Å; L546-S550 PolarHBondContact O-N 3.03Å; L546-S550 PolarHBondContact O-OG 3.17Å; L546-S550 VanDerWaalsContact O-OG 3.06Å
547L88.2Confident84.1Confident0 Ų037.7 Ų37.70%021%0.205CC..Hα-helixtrans-60.5-40.4179.8-69.5172.7000112.4L486 T511 V515 V521 P531 L532 A535 I543 M544 S550 G551 S552L486-L547 HydrophobicContact CD1-CD2 4.39Å; L486-L547 HydrophobicContact CD2-CD2 4.06Å; L486-L547 HydrophobicContact CG-CD2 4.46Å; T511-L547 HydrophobicContact CG2-CD2 4.2Å; V515-L547 HydrophobicContact CG2-CD2 4.35Å; V521-L547 HydrophobicContact CB-CD2 4.5Å; V521-L547 HydrophobicContact CG1-CD2 4.14Å; P531-L547 HydrophobicContact CB-CD1 4.1Å; P531-L547 HydrophobicContact CB-CD2 4.48Å; L532-L547 HydrophobicContact CB-CD1 4.43Å; L532-L547 HydrophobicContact CD1-CB 4.33Å; L532-L547 HydrophobicContact CD1-CD1 4.47Å; A535-L547 HydrophobicContact CB-CD1 4.21Å; I543-L547 HydrophobicContact CG2-CD1 4.1Å; I543-L547 HydrophobicContact CG2-CG 4.47Å; I543-L547 WeakPolarHBondContact O-CG 3.45Å; I543-L547 PolarHBondContact O-N 3.07Å; M544-L547 PolarHBondContact O-N 3.28Å; L547-S550 CarbonylContact O-C 3.59Å; L547-S550 PolarHBondContact O-N 3.08Å; L547-G551 PolarHBondContact O-N 3.47Å; L547-S552 WeakPolarHBondContact O-CB 3.18Å; L547-S552 PolarHBondContact O-N 2.91Å
548I85.8Confident84Confident18 Ų1833.9 Ų33.99%0.09219%0.185CC..Hα-helixtrans-64.5-47.9176.9-67.7163.5000110.5L532 M544 L546 S550 G551 F554 I578 H583L532-I548 HydrophobicContact CD1-CD1 4.35Å; L532-I548 HydrophobicContact CD1-CG1 4.06Å; L532-I548 HydrophobicContact CD2-CG1 4.29Å; M544-I548 WeakPolarHBondContact O-CB 3.47Å; M544-I548 WeakPolarHBondContact O-CD1 3.37Å; M544-I548 WeakPolarHBondContact O-CG1 3.33Å; M544-I548 PolarHBondContact O-N 3.46Å; L546-I548 VanDerWaalsContact C-N 3.32Å; L546-I548 PolarHBondContact O-N 3.36Å; I548-S550 PolarHBondContact O-N 3.41Å; I548-G551 PolarHBondContact O-N 3Å; I548-F554 HydrophobicContact CD1-CD2 3.71Å; I548-F554 HydrophobicContact CD1-CE2 4.04Å; I548-F554 HydrophobicContact CG1-CD2 4.18Å; I548-I578 HydrophobicContact CD1-CG2 3.83Å; I548-H583 HydrophobicContact CG2-CB 4.09Å; I548-H583 WeakPolarHBondContact CG2-ND1 3.4Å
549K85.8Confident84Confident182 Ų18236.1 Ų36.179%0.79120%0.203SC*.Hα-helixtrans-59-31.3175.8-76.7176.6-179.5179.70112.4N545 L546 G551N545-K549 WeakPolarHBondContact O-CB 3.5Å; N545-K549 VanDerWaalsContact O-CG 3.27Å; N545-K549 WeakPolarHBondContact O-CG 3.41Å; N545-K549 PolarHBondContact O-N 3.01Å; L546-K549 PolarHBondContact O-N 3.31Å; K549-G551 VanDerWaalsContact C-N 3.3Å
550S86.6Confident84Confident51 Ų5139.7 Ų39.736%0.35722%0.217SC..THydrogen-bonded Turntrans-86.26.7178.5-600000114.4V515 L546 L547 I548V515-S550 VanDerWaalsContact CG1-OG 3.32Å; V515-S550 WeakPolarHBondContact CG1-OG 3.19Å; L546-S550 WeakPolarHBondContact O-CB 3.2Å; L546-S550 PolarHBondContact O-N 3.03Å; L546-S550 PolarHBondContact O-OG 3.17Å; L546-S550 VanDerWaalsContact O-OG 3.06Å; L547-S550 CarbonylContact O-C 3.59Å; L547-S550 PolarHBondContact O-N 3.08Å; I548-S550 PolarHBondContact O-N 3.41Å
551G83.5Confident83.9Confident42 Ų4244.8 Ų44.843%0.43324%0.239SC..THydrogen-bonded Turntrans97.919.3171.400000115.6N522 L547 I548 K549N522-G551 PolarHBondContact ND2-O 3.18Å; L547-G551 PolarHBondContact O-N 3.47Å; I548-G551 PolarHBondContact O-N 3Å; K549-G551 VanDerWaalsContact C-N 3.3Å
552S83.6Confident83.9Confident9 Ų947 Ų476%0.06325%0.247CC..  trans-65.7132.3171.1-174.90000111N522 L532 L547 F554N522-S552 WeakPolarHBondContact OD1-CA 3.44Å; L532-S552 WeakPolarHBondContact CB-OG 3.5Å; L532-S552 WeakPolarHBondContact CD2-OG 3.44Å; L547-S552 WeakPolarHBondContact O-CB 3.18Å; L547-S552 PolarHBondContact O-N 2.91Å; S552-F554 PolarHBondContact O-N 3.47Å; S552-F554 VanDerWaalsContact O-N 3.15Å
553H80.2Confident83.9Confident46 Ų4643.5 Ų43.521%0.21323%0.229CC..  trans-69.9109.7173.7-67.7-61.7000109.9N522 D555 A556 F612N522-H553 VanDerWaalsContact CG-CD2 3.43Å; N522-H553 PolarHBondContact ND2-CD2 3.48Å; N522-H553 PolarHBondContact OD1-CD2 3.21Å; N522-H553 PolarHBondContact OD1-N 2.84Å; H553-D555 PolarHBondContact O-N 3.08Å; H553-A556 HydrophobicContact CB-CB 4Å; H553-F612 AromaticContact CE1-CE2 3.49Å; H553-F612 VanDerWaalsContact CE1-CE2 3.49Å; H553-F612 WeakPolarHBondContact CE1-CE2 3.49Å; H553-F612 AromaticContact ND1-CE2 3.87Å
554F76Confident83.6Confident5 Ų543.5 Ų43.52%0.02223%0.229CC..THydrogen-bonded Turntrans-64.9-29.4-176.9-173.7-94.6000112.9L532 I548 S552 I578 P580 H583L532-F554 HydrophobicContact CD2-CD2 4.19Å; I548-F554 HydrophobicContact CD1-CD2 3.71Å; I548-F554 HydrophobicContact CD1-CE2 4.04Å; I548-F554 HydrophobicContact CG1-CD2 4.18Å; S552-F554 PolarHBondContact O-N 3.47Å; S552-F554 VanDerWaalsContact O-N 3.15Å; F554-I578 HydrophobicContact CD2-CG2 4.39Å; F554-I578 HydrophobicContact CE2-CG2 3.51Å; F554-I578 HydrophobicContact CZ-CG2 4.05Å; F554-P580 HydrophobicContact CD1-CB 4.34Å; F554-P580 HydrophobicContact CE1-CB 3.6Å; F554-P580 HydrophobicContact CE1-CG 3.84Å; F554-P580 HydrophobicContact CZ-CB 4.29Å; F554-P580 HydrophobicContact CZ-CG 4.12Å; F554-H583 HydrophobicContact CB-CB 4.12Å; F554-H583 HydrophobicContact CD2-CB 4.46Å; F554-H583 HydrophobicContact CG-CB 4.18Å
555D75.4Confident83.1Confident3 Ų344.6 Ų44.62%0.01624%0.237CC..THydrogen-bonded Turntrans-110.59.3-172.367.2-35.2000115.1H553 C588 R592 H616H553-D555 PolarHBondContact O-N 3.08Å; D555-C588 PolarHBondContact OD1-SG 3.23Å; D555-C588 WeakPolarHBondContact OD2-CB 3.32Å; D555-R592 IonicContact OD2-CZ 2.62Å; D555-R592 IonicContact OD2-NE 3.23Å; D555-R592 PolarHBondContact OD2-NE 3.12Å; D555-R592 IonicContact OD2-NH2 3.65Å; D555-H616 VanDerWaalsContact CG-NE2 3.34Å; D555-H616 IonicContact OD1-CD2 3.67Å; D555-H616 IonicContact OD1-NE2 3.42Å; D555-H616 PolarHBondContact OD1-NE2 3.01Å; D555-H616 IonicContact OD2-CD2 3.83Å; D555-H616 PolarHBondContact OD2-CD2 3.46Å; D555-H616 IonicContact OD2-NE2 3.92Å; D555-H616 PolarHBondContact OD2-NE2 3.28Å
556A80.4Confident82.9Confident0 Ų046.9 Ų46.90%025%0.249CC..  trans-63.4143.6167.900000109.7H533 H553 L615H533-A556 PolarHBondContact CE1-O 3.23Å; H533-A556 PolarHBondContact NE2-O 3.27Å; H553-A556 HydrophobicContact CB-CB 4Å; A556-L615 VanDerWaalsContact CA-O 3.28Å; A556-L615 WeakPolarHBondContact CA-O 3.47Å; A556-L615 HydrophobicContact CB-CB 4.35Å
557T82.8Confident82.5Confident14 Ų1446.1 Ų46.19%0.08625%0.245CC..  trans-103.8148.5-178.446.40000111.6N528 Q562 T563 L615 R617N528-T557 PolarHBondContact ND2-O 3.41Å; T557-Q562 WeakPolarHBondContact CA-O 3.45Å; T557-T563 HydrophobicContact CG2-CG2 3.99Å; T557-L615 PolarHBondContact N-O 3.38Å; T557-R617 PolarHBondContact OG1-OXT 2.98Å
558N85.9Confident82Confident4 Ų446.5 Ų46.52%0.02125%0.247CC..  trans-80.8-178.4166.771.75.5000111.4N529 H560 K561 Q562N529-N558 WeakPolarHBondContact OD1-CB 3.33Å; N529-N558 PolarHBondContact OD1-ND2 2.97Å; N529-N558 VanDerWaalsContact OD1-ND2 3.16Å; N558-H560 PolarHBondContact O-N 3.27Å; N558-H560 WeakPolarHBondContact OD1-CA 3.42Å; N558-H560 WeakPolarHBondContact OD1-CB 3.27Å; N558-H560 PolarHBondContact OD1-N 2.94Å; N558-K561 PolarHBondContact O-N 2.89Å; N558-K561 PolarHBondContact OD1-N 3.29Å; N558-Q562 PolarHBondContact N-O 3.34Å; N558-Q562 WeakPolarHBondContact OD1-CB 3.28Å; N558-Q562 PolarHBondContact OD1-N 3.43Å; N558-Q562 PolarHBondContact OD1-O 3.37Å
559S85.5Confident81.1Confident74 Ų7449.3 Ų49.352%0.51726%0.263SS..THydrogen-bonded Turntrans-62.5-16.4179.6-58.30000114.1D527 N528D527-S559 VanDerWaalsContact O-CB 3.28Å; D527-S559 WeakPolarHBondContact O-CB 3.44Å; D527-S559 PolarHBondContact O-N 2.95Å; D527-S559 PolarHBondContact O-OG 3.27Å; N528-S559 WeakPolarHBondContact CB-OG 3.46Å
560H83.3Confident79.7Confident130 Ų13048.2 Ų48.260%0.60226%0.26SS*.THydrogen-bonded Turntrans-93.58.3174.6-57.5-60.2000113.1N558 Q562N558-H560 PolarHBondContact O-N 3.27Å; N558-H560 WeakPolarHBondContact OD1-CA 3.42Å; N558-H560 WeakPolarHBondContact OD1-CB 3.27Å; N558-H560 PolarHBondContact OD1-N 2.94Å; H560-Q562 HydrophobicContact CB-CG 4.07Å; H560-Q562 PolarHBondContact O-N 3.21Å
561K82Confident78.2Confident157 Ų15755 Ų5568%0.68328%0.283SS*.SBendtrans61.625-176.4-55.1-179177.6-1790113.9N558N558-K561 PolarHBondContact O-N 2.89Å; N558-K561 PolarHBondContact OD1-N 3.29Å
562Q82.3Confident76.8Confident71 Ų7158.3 Ų58.333%0.33229%0.287SS..  trans-96.1135.5177.4-58.9175.2-67.700109.3H533 T557 N558 H560 D566 L567H533-Q562 PolarHBondContact NE2-O 3.23Å; T557-Q562 WeakPolarHBondContact CA-O 3.45Å; N558-Q562 PolarHBondContact N-O 3.34Å; N558-Q562 WeakPolarHBondContact OD1-CB 3.28Å; N558-Q562 PolarHBondContact OD1-N 3.43Å; N558-Q562 PolarHBondContact OD1-O 3.37Å; H560-Q562 HydrophobicContact CB-CG 4.07Å; H560-Q562 PolarHBondContact O-N 3.21Å; Q562-D566 HydrophobicContact CB-CB 4.2Å; Q562-L567 HydrophobicContact CB-CD2 4.06Å; Q562-L567 HydrophobicContact CB-CG 4.34Å
563T84.4Confident75.3Confident19 Ų1963.7 Ų63.712%0.11731%0.314CS..  trans-85.1166.517063.80000110.7T557 S565 D566 L567T557-T563 HydrophobicContact CG2-CG2 3.99Å; T563-S565 PolarHBondContact O-N 3.26Å; T563-S565 PolarHBondContact OG1-OG 3.06Å; T563-D566 WeakPolarHBondContact CB-OD2 3.37Å; T563-D566 PolarHBondContact N-OD2 3.16Å; T563-D566 PolarHBondContact O-N 2.99Å; T563-D566 PolarHBondContact OG1-N 3.02Å; T563-D566 PolarHBondContact OG1-OD2 3.24Å; T563-L567 PolarHBondContact O-N 3.3Å
564A81.8Confident74Confident0 Ų061.9 Ų61.90%031%0.307CS..THydrogen-bonded Turntrans-56.7-31.7173.300000112.9L532 A536 M544 L567L532-A564 HydrophobicContact CD2-CB 3.9Å; L532-A564 HydrophobicContact CG-CB 3.69Å; A536-A564 HydrophobicContact CB-CB 4.24Å; A536-A564 WeakPolarHBondContact CB-O 3.36Å; M544-A564 HydrophobicContact CE-CB 4.5Å; A564-L567 PolarHBondContact O-N 3.34Å
565S78.6Confident73.1Confident24 Ų2465.7 Ų65.717%0.16832%0.324CS..THydrogen-bonded Turntrans-70.1-29.217542.50000114.2T563 L567T563-S565 PolarHBondContact O-N 3.26Å; T563-S565 PolarHBondContact OG1-OG 3.06Å; S565-L567 VanDerWaalsContact C-N 3.28Å
566D80.2Confident72.2Confident94 Ų9472.1 Ų72.150%0.50336%0.358SS..THydrogen-bonded Turntrans-75.4-23.2179-56.8-41.1000111.7Q562 T563Q562-D566 HydrophobicContact CB-CB 4.2Å; T563-D566 WeakPolarHBondContact CB-OD2 3.37Å; T563-D566 PolarHBondContact N-OD2 3.16Å; T563-D566 PolarHBondContact O-N 2.99Å; T563-D566 PolarHBondContact OG1-N 3.02Å; T563-D566 PolarHBondContact OG1-OD2 3.24Å
567L79.8Confident71.1Confident26 Ų2677.1 Ų77.114%0.13638%0.384CS..THydrogen-bonded Turntrans-86-9.9178.5-61.4179000113.4H533 A536 L537 Q562 T563 A564 S565H533-L567 HydrophobicContact CB-CD1 3.84Å; A536-L567 HydrophobicContact CB-CB 4.22Å; L537-L567 HydrophobicContact CD1-CD1 4.34Å; L537-L567 HydrophobicContact CD2-CB 4.06Å; L537-L567 HydrophobicContact CD2-CD1 4.3Å; L537-L567 HydrophobicContact CD2-CD2 4.05Å; L537-L567 HydrophobicContact CD2-CG 4.36Å; L537-L567 HydrophobicContact CG-CB 4.22Å; L537-L567 HydrophobicContact CG-CD1 4.01Å; Q562-L567 HydrophobicContact CB-CD2 4.06Å; Q562-L567 HydrophobicContact CB-CG 4.34Å; T563-L567 PolarHBondContact O-N 3.3Å; A564-L567 PolarHBondContact O-N 3.34Å; S565-L567 VanDerWaalsContact C-N 3.28Å
568L77.8Confident70.1Confident7 Ų776.6 Ų76.64%0.03738%0.381CS..SBendtrans-73.5130.5173.8-73.1173.9000110.4A536 M544 E570 A574A536-L568 HydrophobicContact CB-CD2 4.04Å; A536-L568 HydrophobicContact CB-CG 4.22Å; M544-L568 HydrophobicContact CE-CD1 4.17Å; M544-L568 HydrophobicContact CE-CD2 4.21Å; M544-L568 HydrophobicContact CE-CG 4.38Å; M544-L568 HydrophobicContact SD-CD2 3.83Å; L568-E570 PolarHBondContact O-N 2.67Å; L568-A574 HydrophobicContact CD2-CB 3.99Å
569D66.7Low69Low78 Ų7881.7 Ų81.742%0.41740%0.404SS..  trans-63.2130.3175.8-165.2-18.8000110.5K571 E572D569-K571 PolarHBondContact O-N 2.82Å; D569-K571 PolarHBondContact OD1-N 3.04Å; D569-E572 PolarHBondContact O-N 2.82Å
570E57Low67.8Low159 Ų15981 Ų8174%0.74340%0.398SS*.THydrogen-bonded Turntrans-65.4-17.9-179.2-58.2-15713100113.2L568 K575L568-E570 PolarHBondContact O-N 2.67Å; E570-K575 IonicContact OE1-NZ 3.57Å; E570-K575 PolarHBondContact OE1-NZ 2.98Å; E570-K575 VanDerWaalsContact OE1-NZ 3.08Å
571K54.7Low66.9Low193 Ų19381.1 Ų81.184%0.83940%0.402SS*.THydrogen-bonded Turntrans-86.3-10-177-68.3179.8179.4175.60114.5D569D569-K571 PolarHBondContact O-N 2.82Å; D569-K571 PolarHBondContact OD1-N 3.04Å
572E55.3Low66Low112 Ų11279 Ų7952%0.52340%0.398SS..SBendtrans-113.1149.4-171.5-79.4-83.3158.800112.8D569 A574D569-E572 PolarHBondContact O-N 2.82Å; E572-A574 PolarHBondContact O-N 3.36Å
573I51.8Low65.3Low122 Ų12278.8 Ų78.863%0.62640%0.397SS*.THydrogen-bonded Turntrans-58.3-16.7-171.8-63.4162.9000113.4K575 N576 L577I573-K575 VanDerWaalsContact C-N 3.33Å; I573-K575 PolarHBondContact O-N 2.84Å; I573-N576 PolarHBondContact O-N 3.22Å; I573-N576 VanDerWaalsContact O-N 3.16Å; I573-L577 HydrophobicContact CG2-CD1 3.91Å; I573-L577 HydrophobicContact CG2-CG 4.41Å
574A53.3Low64.5Low7 Ų779.4 Ų79.46%0.05840%0.401CS..Hα-helixtrans-60-33.7-176.200000114.4P541 L568 E572 N576 L577 I578P541-A574 HydrophobicContact CB-CB 4.42Å; L568-A574 HydrophobicContact CD2-CB 3.99Å; E572-A574 PolarHBondContact O-N 3.36Å; A574-N576 VanDerWaalsContact C-N 3.25Å; A574-N576 PolarHBondContact O-N 3.15Å; A574-L577 PolarHBondContact O-N 3.32Å; A574-I578 PolarHBondContact O-N 3.44Å
575K55.5Low64.2Low86 Ų8682.5 Ų82.537%0.37442%0.419SS..Hα-helixtrans-67.2-26.4179.4-142.9172.2-173.6171.60112.5E570 I573E570-K575 IonicContact OE1-NZ 3.57Å; E570-K575 PolarHBondContact OE1-NZ 2.98Å; E570-K575 VanDerWaalsContact OE1-NZ 3.08Å; I573-K575 VanDerWaalsContact C-N 3.33Å; I573-K575 PolarHBondContact O-N 2.84Å
576N56.5Low64.1Low137 Ų13788.4 Ų88.473%0.73345%0.448SS*.Hα-helixtrans-83.4-22.5177.1-69.5-23.5000113.2I573 A574I573-N576 PolarHBondContact O-N 3.22Å; I573-N576 VanDerWaalsContact O-N 3.16Å; A574-N576 VanDerWaalsContact C-N 3.25Å; A574-N576 PolarHBondContact O-N 3.15Å
577L58Low63.8Low105 Ų10589.5 Ų89.555%0.5545%0.451SS..Hα-helixtrans-84.5-27-176.9-77.9160.6000113.2P541 I573 A574P541-L577 HydrophobicContact CB-CD1 4.35Å; P541-L577 HydrophobicContact CG-CD1 4.35Å; I573-L577 HydrophobicContact CG2-CD1 3.91Å; I573-L577 HydrophobicContact CG2-CG 4.41Å; A574-L577 PolarHBondContact O-N 3.32Å
578I61.5Low63.5Low4 Ų488.4 Ų88.42%0.02145%0.445CS..SBendtrans-118.793-176.2-52.5175.7000108.8P541 M544 I548 F554 A574 P580P541-I578 HydrophobicContact CB-CD1 4.45Å; M544-I578 HydrophobicContact CB-CD1 3.57Å; M544-I578 HydrophobicContact CE-CD1 3.72Å; M544-I578 HydrophobicContact CG-CD1 4.29Å; M544-I578 HydrophobicContact SD-CD1 3.76Å; I548-I578 HydrophobicContact CD1-CG2 3.83Å; F554-I578 HydrophobicContact CD2-CG2 4.39Å; F554-I578 HydrophobicContact CE2-CG2 3.51Å; F554-I578 HydrophobicContact CZ-CG2 4.05Å; A574-I578 PolarHBondContact O-N 3.44Å; I578-P580 WeakPolarHBondContact O-CD 3.35Å
579Q62.6Low63.5Low110 Ų11092.1 Ų92.151%0.51446%0.464SS..  trans-78.3119.5176.6-70.4-172.9-1.700110.7I581 N582 H583Q579-I581 PolarHBondContact O-N 3.03Å; Q579-I581 VanDerWaalsContact O-N 3.14Å; Q579-N582 PolarHBondContact O-N 3.19Å; Q579-H583 PolarHBondContact O-CD2 3.14Å
580P61.3Low64.1Low60 Ų6090.8 Ų90.839%0.3947%0.465SS..G310 helixtrans-55.7-34.8-177.6-30.238000114.1F554 I578 N582 H583 T584F554-P580 HydrophobicContact CD1-CB 4.34Å; F554-P580 HydrophobicContact CE1-CB 3.6Å; F554-P580 HydrophobicContact CE1-CG 3.84Å; F554-P580 HydrophobicContact CZ-CB 4.29Å; F554-P580 HydrophobicContact CZ-CG 4.12Å; I578-P580 WeakPolarHBondContact O-CD 3.35Å; P580-N582 PolarHBondContact O-N 3.24Å; P580-H583 PolarHBondContact O-N 3.5Å; P580-H583 VanDerWaalsContact O-N 3.12Å; P580-T584 WeakPolarHBondContact O-CG2 3.33Å; P580-T584 PolarHBondContact O-N 3.18Å; P580-T584 PolarHBondContact O-OG1 3.4Å
581I62.9Low65.2Low132 Ų13283.3 Ų83.368%0.67743%0.43SS*.G310 helixtrans-64.1-26-174.9-149.7162.9000112.9Q579 H583Q579-I581 PolarHBondContact O-N 3.03Å; Q579-I581 VanDerWaalsContact O-N 3.14Å; I581-H583 VanDerWaalsContact C-N 3.28Å; I581-H583 PolarHBondContact O-N 3.4Å
582N64.8Low66.1Low112 Ų11278.3 Ų78.360%0.59941%0.406SS*.G310 helixtrans-81.3-10.2-178.3-66-20.9000112.7Q579 P580Q579-N582 PolarHBondContact O-N 3.19Å; P580-N582 PolarHBondContact O-N 3.24Å
583H65.9Low67.3Low68 Ų6876.6 Ų76.632%0.31540%0.403SS..THydrogen-bonded Turntrans-128.3-4.4-170.4-57.3-54.4000113.6I548 F554 Q579 P580 I581I548-H583 HydrophobicContact CG2-CB 4.09Å; I548-H583 WeakPolarHBondContact CG2-ND1 3.4Å; F554-H583 HydrophobicContact CB-CB 4.12Å; F554-H583 HydrophobicContact CD2-CB 4.46Å; F554-H583 HydrophobicContact CG-CB 4.18Å; Q579-H583 PolarHBondContact O-CD2 3.14Å; P580-H583 PolarHBondContact O-N 3.5Å; P580-H583 VanDerWaalsContact O-N 3.12Å; I581-H583 VanDerWaalsContact C-N 3.28Å; I581-H583 PolarHBondContact O-N 3.4Å
584T68.3Low68.6Low31 Ų3172.5 Ų72.519%0.1938%0.382CS..  trans-82.1118.2170.948.30000111.1P580P580-T584 WeakPolarHBondContact O-CG2 3.33Å; P580-T584 PolarHBondContact O-N 3.18Å; P580-T584 PolarHBondContact O-OG1 3.4Å
585T76.4Confident69.8Low65 Ų6573.6 Ų73.640%0.39939%0.387SS..  trans-80.2165.2176.571.90000112Q587 C588 L589T585-Q587 PolarHBondContact O-N 3.23Å; T585-Q587 PolarHBondContact OG1-N 3.43Å; T585-C588 VanDerWaalsContact O-CB 3.25Å; T585-C588 WeakPolarHBondContact O-CB 3.34Å; T585-C588 PolarHBondContact O-N 2.97Å; T585-C588 WeakPolarHBondContact OG1-CB 3.47Å; T585-C588 PolarHBondContact OG1-N 3.14Å; T585-C588 VanDerWaalsContact OG1-N 3.16Å; T585-C588 PolarHBondContact OG1-SG 3.18Å; T585-L589 PolarHBondContact O-N 2.96Å; T585-L589 VanDerWaalsContact O-N 3.12Å
586L75.8Confident71Confident148 Ų14875.2 Ų75.278%0.77540%0.4SS*.Hα-helixtrans-61.4-34.5172.7-165.5109.6000111.9L589 A590L586-L589 PolarHBondContact O-N 3.19Å; L586-A590 PolarHBondContact O-N 3.37Å
587Q75Confident72.3Confident118 Ų11875.3 Ų75.355%0.55140%0.396SS*.Hα-helixtrans-64.3-44.7177-66.2177.4-14.900111T585 L589 A590 A591 F612T585-Q587 PolarHBondContact O-N 3.23Å; T585-Q587 PolarHBondContact OG1-N 3.43Å; Q587-L589 PolarHBondContact O-N 3.29Å; Q587-A590 PolarHBondContact O-N 3.46Å; Q587-A591 WeakPolarHBondContact O-CB 3.39Å; Q587-A591 PolarHBondContact O-N 2.91Å; Q587-F612 VanDerWaalsContact C-CE1 3.48Å; Q587-F612 HydrophobicContact CB-CE1 3.77Å; Q587-F612 HydrophobicContact CB-CZ 3.68Å; Q587-F612 WeakPolarHBondContact O-CE1 3.25Å
588C73.2Confident73.4Confident2 Ų277.1 Ų77.11%0.01441%0.406CS..Hα-helixtrans-54.4-48.2172.5-74.20000112D555 T585 A590 A591 R592D555-C588 PolarHBondContact OD1-SG 3.23Å; D555-C588 WeakPolarHBondContact OD2-CB 3.32Å; T585-C588 VanDerWaalsContact O-CB 3.25Å; T585-C588 WeakPolarHBondContact O-CB 3.34Å; T585-C588 PolarHBondContact O-N 2.97Å; T585-C588 WeakPolarHBondContact OG1-CB 3.47Å; T585-C588 PolarHBondContact OG1-N 3.14Å; T585-C588 VanDerWaalsContact OG1-N 3.16Å; T585-C588 PolarHBondContact OG1-SG 3.18Å; C588-A590 PolarHBondContact O-N 3.32Å; C588-A591 PolarHBondContact O-N 3.12Å; C588-R592 WeakPolarHBondContact O-CG 3.07Å; C588-R592 PolarHBondContact O-N 3.04Å
589L76.9Confident74.5Confident85 Ų8580.9 Ų80.945%0.44543%0.425SS..Hα-helixtrans-62.9-42177-67.7173000112.6T585 L586 Q587 R592 V593T585-L589 PolarHBondContact O-N 2.96Å; T585-L589 VanDerWaalsContact O-N 3.12Å; L586-L589 PolarHBondContact O-N 3.19Å; Q587-L589 PolarHBondContact O-N 3.29Å; L589-R592 PolarHBondContact O-N 3.34Å; L589-V593 WeakPolarHBondContact O-CG2 3.49Å; L589-V593 PolarHBondContact O-N 3.45Å; L589-V593 VanDerWaalsContact O-N 3.13Å
590A79Confident75.3Confident51 Ų5183.7 Ų83.742%0.42143%0.433SS..Hα-helixtrans-64.6-43176.600000112.1L586 Q587 C588 R592 V593 I594L586-A590 PolarHBondContact O-N 3.37Å; Q587-A590 PolarHBondContact O-N 3.46Å; C588-A590 PolarHBondContact O-N 3.32Å; A590-R592 VanDerWaalsContact C-N 3.35Å; A590-R592 PolarHBondContact O-N 3.01Å; A590-V593 PolarHBondContact O-N 3.18Å; A590-I594 WeakPolarHBondContact O-CG1 3.45Å; A590-I594 PolarHBondContact O-N 3.46Å
591A79.8Confident76.3Confident2 Ų282 Ų822%0.01742%0.419CS..Hα-helixtrans-60.6-42.7175.400000111.9Q587 C588 V593 I594 V595 F612 V613Q587-A591 WeakPolarHBondContact O-CB 3.39Å; Q587-A591 PolarHBondContact O-N 2.91Å; C588-A591 PolarHBondContact O-N 3.12Å; A591-V593 VanDerWaalsContact C-N 3.35Å; A591-V593 PolarHBondContact O-N 3.2Å; A591-I594 WeakPolarHBondContact O-CB 3.49Å; A591-I594 PolarHBondContact O-N 3.19Å; A591-V595 WeakPolarHBondContact O-CG2 3.46Å; A591-V595 PolarHBondContact O-N 2.67Å; A591-F612 HydrophobicContact CB-CD1 4.02Å; A591-F612 HydrophobicContact CB-CE1 3.82Å; A591-V613 HydrophobicContact CB-CG2 4.14Å
592R75.1Confident77.1Confident88 Ų8878.5 Ų78.533%0.33240%0.404SS..Hα-helixtrans-59.1-43.1174.5-72.6174-176.6-158.9-4.6112.6D555 C588 L589 A590 I594 V595 N596D555-R592 IonicContact OD2-CZ 2.62Å; D555-R592 IonicContact OD2-NE 3.23Å; D555-R592 PolarHBondContact OD2-NE 3.12Å; D555-R592 IonicContact OD2-NH2 3.65Å; C588-R592 WeakPolarHBondContact O-CG 3.07Å; C588-R592 PolarHBondContact O-N 3.04Å; L589-R592 PolarHBondContact O-N 3.34Å; A590-R592 VanDerWaalsContact C-N 3.35Å; A590-R592 PolarHBondContact O-N 3.01Å; R592-I594 VanDerWaalsContact C-N 3.32Å; R592-V595 PolarHBondContact O-N 2.79Å; R592-N596 WeakPolarHBondContact O-CB 3.18Å; R592-N596 PolarHBondContact O-N 3.38Å; R592-N596 PolarHBondContact O-ND2 2.93Å
593V78.8Confident77.8Confident75 Ų7576.6 Ų76.646%0.45541%0.41SS..Hα-helixtrans-62.5-43.5177.2172.20000110.2L589 A590 A591 V595 H597 I599L589-V593 WeakPolarHBondContact O-CG2 3.49Å; L589-V593 PolarHBondContact O-N 3.45Å; L589-V593 VanDerWaalsContact O-N 3.13Å; A590-V593 PolarHBondContact O-N 3.18Å; A591-V593 VanDerWaalsContact C-N 3.35Å; A591-V593 PolarHBondContact O-N 3.2Å; V593-V595 PolarHBondContact O-N 3.16Å; V593-H597 WeakPolarHBondContact O-CB 3.39Å; V593-H597 PolarHBondContact O-CD2 2.93Å; V593-H597 VanDerWaalsContact O-CD2 3.28Å; V593-H597 PolarHBondContact O-N 2.94Å; V593-I599 HydrophobicContact CG1-CD1 4.42Å
594I80.4Confident78.5Confident37 Ų3780 Ų8019%0.1943%0.426CS..Hα-helixtrans-59.5-47.8176.8-67.3166000111.1A590 A591 R592 N598 I599 Y601 V613A590-I594 WeakPolarHBondContact O-CG1 3.45Å; A590-I594 PolarHBondContact O-N 3.46Å; A591-I594 WeakPolarHBondContact O-CB 3.49Å; A591-I594 PolarHBondContact O-N 3.19Å; R592-I594 VanDerWaalsContact C-N 3.32Å; I594-N598 PolarHBondContact O-N 3.12Å; I594-N598 VanDerWaalsContact O-N 3.13Å; I594-I599 HydrophobicContact CG2-CB 4.18Å; I594-I599 PolarHBondContact O-N 3.14Å; I594-Y601 HydrophobicContact CG2-CD1 3.31Å; I594-Y601 HydrophobicContact CG2-CE1 3.83Å; I594-Y601 HydrophobicContact CG2-CG 4.06Å; I594-V613 HydrophobicContact CB-CG1 4.24Å; I594-V613 HydrophobicContact CD1-CG2 4.02Å; I594-V613 HydrophobicContact CG2-CG1 3.71Å
595V78.9Confident79.3Confident29 Ų2980.9 Ų80.918%0.17643%0.429CS..Hα-helixtrans-68.5-48.6179.9175.80000111.7A591 R592 V593 H597 N598 V613 H616 R617A591-V595 WeakPolarHBondContact O-CG2 3.46Å; A591-V595 PolarHBondContact O-N 2.67Å; R592-V595 PolarHBondContact O-N 2.79Å; V593-V595 PolarHBondContact O-N 3.16Å; V595-H597 VanDerWaalsContact C-N 3.3Å; V595-H597 PolarHBondContact O-N 3.34Å; V595-N598 PolarHBondContact O-N 3.49Å; V595-N598 VanDerWaalsContact O-N 3.16Å; V595-V613 HydrophobicContact CG2-CG1 3.86Å; V595-H616 HydrophobicContact CG2-CB 4.26Å; V595-R617 HydrophobicContact CG1-CB 4.44Å; V595-R617 HydrophobicContact CG2-CB 4.44Å
596N80.7Confident79.8Confident121 Ų12182 Ų8265%0.64744%0.437SS*.Hα-helixtrans-63.8-34.9-177.1-72.6-16.3000112.7R592R592-N596 WeakPolarHBondContact O-CB 3.18Å; R592-N596 PolarHBondContact O-N 3.38Å; R592-N596 PolarHBondContact O-ND2 2.93Å
597H83.9Confident80.1Confident139 Ų13981.9 Ų81.964%0.64443%0.433SS*.THydrogen-bonded Turntrans-96.27.8179-66.9-79.9000113.4V593 V595 I599V593-H597 WeakPolarHBondContact O-CB 3.39Å; V593-H597 PolarHBondContact O-CD2 2.93Å; V593-H597 VanDerWaalsContact O-CD2 3.28Å; V593-H597 PolarHBondContact O-N 2.94Å; V595-H597 VanDerWaalsContact C-N 3.3Å; V595-H597 PolarHBondContact O-N 3.34Å; H597-I599 HydrophobicContact CB-CD1 4.17Å; H597-I599 HydrophobicContact CB-CG1 3.86Å; H597-I599 PolarHBondContact O-N 3.13Å
598N80Confident80.2Confident142 Ų14284.9 Ų84.976%0.75944%0.444SS*.THydrogen-bonded Turntrans47.940.7-177.9-69.4-49000113.3I594 V595 Y600I594-N598 PolarHBondContact O-N 3.12Å; I594-N598 VanDerWaalsContact O-N 3.13Å; V595-N598 PolarHBondContact O-N 3.49Å; V595-N598 VanDerWaalsContact O-N 3.16Å; N598-Y600 PolarHBondContact O-N 3.11Å
599I83.9Confident80.5Confident83 Ų8388.4 Ų88.443%0.42646%0.463SS..  trans-69.9131.1-179.3-57.3178.5000108.1V593 I594 H597 Y601V593-I599 HydrophobicContact CG1-CD1 4.42Å; I594-I599 HydrophobicContact CG2-CB 4.18Å; I594-I599 PolarHBondContact O-N 3.14Å; H597-I599 HydrophobicContact CB-CD1 4.17Å; H597-I599 HydrophobicContact CB-CG1 3.86Å; H597-I599 PolarHBondContact O-N 3.13Å; I599-Y601 VanDerWaalsContact O-CD1 3.28Å; I599-Y601 WeakPolarHBondContact O-CD1 3.41Å; I599-Y601 PolarHBondContact O-N 3.28Å
600Y81.2Confident80.7Confident169 Ų16986 Ų8666%0.66345%0.449SS*.  trans-75.6122.1178.6-174.3-98.5000110.7N598 T602 H604N598-Y600 PolarHBondContact O-N 3.11Å; Y600-T602 WeakPolarHBondContact CE1-O 3.36Å; Y600-T602 WeakPolarHBondContact CE2-OG1 3.45Å; Y600-T602 PolarHBondContact OH-OG1 2.77Å; Y600-T602 VanDerWaalsContact OH-OG1 3.14Å; Y600-H604 AromaticContact CD1-CD2 3.58Å; Y600-H604 AromaticContact CD1-NE2 3.61Å; Y600-H604 AromaticContact CE1-CD2 3.56Å; Y600-H604 AromaticContact CE1-NE2 3.44Å; Y600-H604 WeakPolarHBondContact CE1-NE2 3.45Å
601Y81Confident80.6Confident25 Ų2587.8 Ų87.810%0.09845%0.452CS..  trans-129.4-12-173.763.2-92.2000114.9I594 I599 G603 H604 I605 E610 V613 L614I594-Y601 HydrophobicContact CG2-CD1 3.31Å; I594-Y601 HydrophobicContact CG2-CE1 3.83Å; I594-Y601 HydrophobicContact CG2-CG 4.06Å; I599-Y601 VanDerWaalsContact O-CD1 3.28Å; I599-Y601 WeakPolarHBondContact O-CD1 3.41Å; I599-Y601 PolarHBondContact O-N 3.28Å; Y601-G603 PolarHBondContact O-N 3.01Å; Y601-H604 PolarHBondContact O-N 3.35Å; Y601-H604 VanDerWaalsContact O-N 3.11Å; Y601-I605 HydrophobicContact CD2-CD1 3.83Å; Y601-I605 HydrophobicContact CD2-CG1 4.38Å; Y601-I605 HydrophobicContact CG-CD1 4.27Å; Y601-I605 PolarHBondContact O-N 3.43Å; Y601-E610 HydrophobicContact CD2-CB 4.3Å; Y601-E610 HydrophobicContact CD2-CG 4.1Å; Y601-E610 HydrophobicContact CE2-CB 4.13Å; Y601-E610 HydrophobicContact CE2-CG 4.42Å; Y601-V613 HydrophobicContact CD1-CG1 4.06Å; Y601-V613 HydrophobicContact CD2-CB 4.41Å; Y601-V613 HydrophobicContact CD2-CG1 4.45Å; Y601-V613 HydrophobicContact CE1-CB 4.4Å; Y601-V613 HydrophobicContact CE1-CG1 3.53Å; Y601-V613 HydrophobicContact CE2-CB 3.92Å; Y601-V613 HydrophobicContact CE2-CG1 3.95Å; Y601-V613 VanDerWaalsContact CZ-CG1 3.45Å; Y601-L614 WeakPolarHBondContact OH-CD2 3.28Å
602T79.1Confident80.5Confident59 Ų5988.9 Ų88.936%0.36246%0.456SS..THydrogen-bonded Turntrans-69.8125.7-176.647.90000112Y600 H604 E610Y600-T602 WeakPolarHBondContact CE1-O 3.36Å; Y600-T602 WeakPolarHBondContact CE2-OG1 3.45Å; Y600-T602 PolarHBondContact OH-OG1 2.77Å; Y600-T602 VanDerWaalsContact OH-OG1 3.14Å; T602-H604 VanDerWaalsContact C-N 3.26Å; T602-H604 PolarHBondContact O-CD2 3.41Å; T602-E610 WeakPolarHBondContact CA-OE1 3.41Å
603G80.1Confident80.6Confident72 Ų7284.9 Ų84.974%0.74244%0.441SS*.THydrogen-bonded Turntrans80.5-4.3-171.900000114.7Y601 E610Y601-G603 PolarHBondContact O-N 3.01Å; G603-E610 PolarHBondContact N-OE1 2.89Å
604H81.7Confident80.5Confident139 Ų13985 Ų8564%0.64444%0.439SS*.THydrogen-bonded Turntrans-107.1-19.2-175-67.4-69.7000113.9Y600 Y601 T602Y600-H604 AromaticContact CD1-CD2 3.58Å; Y600-H604 AromaticContact CD1-NE2 3.61Å; Y600-H604 AromaticContact CE1-CD2 3.56Å; Y600-H604 AromaticContact CE1-NE2 3.44Å; Y600-H604 WeakPolarHBondContact CE1-NE2 3.45Å; Y601-H604 PolarHBondContact O-N 3.35Å; Y601-H604 VanDerWaalsContact O-N 3.11Å; T602-H604 VanDerWaalsContact C-N 3.26Å; T602-H604 PolarHBondContact O-CD2 3.41Å
605I84.8Confident80Confident50 Ų5085.2 Ų85.226%0.25644%0.44SS..SBendtrans-122.8156.8174.465.4-177.4000109Y601 E607 L609 E610 V613Y601-I605 HydrophobicContact CD2-CD1 3.83Å; Y601-I605 HydrophobicContact CD2-CG1 4.38Å; Y601-I605 HydrophobicContact CG-CD1 4.27Å; Y601-I605 PolarHBondContact O-N 3.43Å; I605-E607 PolarHBondContact O-N 3.25Å; I605-L609 HydrophobicContact CB-CB 4.31Å; I605-L609 HydrophobicContact CD1-CB 3.79Å; I605-L609 HydrophobicContact CG1-CB 4.08Å; I605-E610 HydrophobicContact CD1-CG 3.98Å; I605-E610 HydrophobicContact CG1-CB 4.45Å; I605-E610 HydrophobicContact CG1-CG 3.38Å; I605-E610 VanDerWaalsContact O-OE1 3.09Å; I605-V613 HydrophobicContact CD1-CG2 4.22Å
606P86.1Confident79.6Confident88 Ų8884.6 Ų84.657%0.57144%0.435SS*.  trans-51140.8173.7-2833000112.1K608 L609 E610P606-K608 PolarHBondContact O-N 3.13Å; P606-L609 HydrophobicContact CG-CD1 4.44Å; P606-L609 WeakPolarHBondContact O-CA 3.42Å; P606-L609 WeakPolarHBondContact O-CB 3.16Å; P606-L609 PolarHBondContact O-N 3.47Å; P606-E610 PolarHBondContact O-N 2.99Å; P606-E610 VanDerWaalsContact O-N 3.11Å
607E81.5Confident78.8Confident146 Ų14687 Ų8768%0.68244%0.435SS*.Hα-helixtrans-49.5-35.5-178.8-170.9-175.2176.200113.3I605 L609 E610 N611I605-E607 PolarHBondContact O-N 3.25Å; E607-L609 VanDerWaalsContact C-N 3.33Å; E607-L609 PolarHBondContact O-N 3.4Å; E607-E610 PolarHBondContact O-N 3.2Å; E607-N611 WeakPolarHBondContact O-CB 3.35Å; E607-N611 PolarHBondContact O-N 3.47Å; E607-N611 PolarHBondContact O-ND2 3.35Å
608K78.4Confident78.5Confident180 Ų18084.4 Ų84.478%0.78343%0.425SS*.Hα-helixtrans-61.3-37.8174.5-68.2-175178.9-179.30113.4P606 F612P606-K608 PolarHBondContact O-N 3.13Å; K608-F612 PolarHBondContact O-N 3.12Å
609L79.4Confident78.5Confident77 Ų7781.4 Ų81.440%0.40341%0.407SS..Hα-helixtrans-78.7-32.2176.8-65.7-178.2000111.5I605 P606 E607 F612 V613I605-L609 HydrophobicContact CB-CB 4.31Å; I605-L609 HydrophobicContact CD1-CB 3.79Å; I605-L609 HydrophobicContact CG1-CB 4.08Å; P606-L609 HydrophobicContact CG-CD1 4.44Å; P606-L609 WeakPolarHBondContact O-CA 3.42Å; P606-L609 WeakPolarHBondContact O-CB 3.16Å; P606-L609 PolarHBondContact O-N 3.47Å; E607-L609 VanDerWaalsContact C-N 3.33Å; E607-L609 PolarHBondContact O-N 3.4Å; L609-F612 WeakPolarHBondContact O-CB 3.47Å; L609-F612 PolarHBondContact O-N 3.47Å; L609-V613 WeakPolarHBondContact O-CG2 3.44Å; L609-V613 PolarHBondContact O-N 3.16Å
610E80.7Confident78.1Confident35 Ų3581.3 Ų81.316%0.16441%0.406CS..Hα-helixtrans-60.9-48.3171.3-58.8-168.2176.500111.2Y601 T602 G603 I605 P606 E607 F612 V613 L614Y601-E610 HydrophobicContact CD2-CB 4.3Å; Y601-E610 HydrophobicContact CD2-CG 4.1Å; Y601-E610 HydrophobicContact CE2-CB 4.13Å; Y601-E610 HydrophobicContact CE2-CG 4.42Å; T602-E610 WeakPolarHBondContact CA-OE1 3.41Å; G603-E610 PolarHBondContact N-OE1 2.89Å; I605-E610 HydrophobicContact CD1-CG 3.98Å; I605-E610 HydrophobicContact CG1-CB 4.45Å; I605-E610 HydrophobicContact CG1-CG 3.38Å; I605-E610 VanDerWaalsContact O-OE1 3.09Å; P606-E610 PolarHBondContact O-N 2.99Å; P606-E610 VanDerWaalsContact O-N 3.11Å; E607-E610 PolarHBondContact O-N 3.2Å; E610-F612 PolarHBondContact O-N 3.28Å; E610-V613 PolarHBondContact O-N 3.35Å; E610-L614 WeakPolarHBondContact O-CG 3.45Å; E610-L614 PolarHBondContact O-N 3.35Å
611N76.5Confident78Confident88 Ų8876.1 Ų76.147%0.47139%0.391SS..Hα-helixtrans-59.2-36.4175-72.1-27.8000111.8E607 L614 L615E607-N611 WeakPolarHBondContact O-CB 3.35Å; E607-N611 PolarHBondContact O-N 3.47Å; E607-N611 PolarHBondContact O-ND2 3.35Å; N611-L614 PolarHBondContact O-N 3.46Å; N611-L615 WeakPolarHBondContact O-CG 3.42Å; N611-L615 PolarHBondContact O-N 3.46Å
612F79.1Confident77.8Confident24 Ų2479.3 Ų79.311%0.10541%0.41CS..Hα-helixtrans-67.4-43.8175.6-176.8-87.2000112.7H553 Q587 A591 K608 L609 E610 L614 L615 H616H553-F612 AromaticContact CE1-CE2 3.49Å; H553-F612 VanDerWaalsContact CE1-CE2 3.49Å; H553-F612 WeakPolarHBondContact CE1-CE2 3.49Å; H553-F612 AromaticContact ND1-CE2 3.87Å; Q587-F612 VanDerWaalsContact C-CE1 3.48Å; Q587-F612 HydrophobicContact CB-CE1 3.77Å; Q587-F612 HydrophobicContact CB-CZ 3.68Å; Q587-F612 WeakPolarHBondContact O-CE1 3.25Å; A591-F612 HydrophobicContact CB-CD1 4.02Å; A591-F612 HydrophobicContact CB-CE1 3.82Å; K608-F612 PolarHBondContact O-N 3.12Å; L609-F612 WeakPolarHBondContact O-CB 3.47Å; L609-F612 PolarHBondContact O-N 3.47Å; E610-F612 PolarHBondContact O-N 3.28Å; F612-L614 VanDerWaalsContact C-N 3.28Å; F612-L614 PolarHBondContact O-N 3.48Å; F612-L615 HydrophobicContact CD2-CD1 4.41Å; F612-L615 WeakPolarHBondContact O-CB 3.33Å; F612-L615 PolarHBondContact O-N 3.44Å; F612-H616 AromaticContact CD1-CE1 3.93Å; F612-H616 AromaticContact CE1-CE1 3.45Å; F612-H616 VanDerWaalsContact CE1-CE1 3.45Å; F612-H616 WeakPolarHBondContact CE1-CE1 3.34Å; F612-H616 AromaticContact CZ-CE1 3.71Å; F612-H616 PolarHBondContact O-CE1 3.18Å; F612-H616 PolarHBondContact O-ND1 3.46Å
613V76.3Confident77.7Confident5 Ų580.7 Ų80.73%0.0341%0.413CS..Hα-helixtrans-62.9-37.8175.9176.60000110.7A591 I594 V595 Y601 I605 L609 E610 L615 H616A591-V613 HydrophobicContact CB-CG2 4.14Å; I594-V613 HydrophobicContact CB-CG1 4.24Å; I594-V613 HydrophobicContact CD1-CG2 4.02Å; I594-V613 HydrophobicContact CG2-CG1 3.71Å; V595-V613 HydrophobicContact CG2-CG1 3.86Å; Y601-V613 HydrophobicContact CD1-CG1 4.06Å; Y601-V613 HydrophobicContact CD2-CB 4.41Å; Y601-V613 HydrophobicContact CD2-CG1 4.45Å; Y601-V613 HydrophobicContact CE1-CB 4.4Å; Y601-V613 HydrophobicContact CE1-CG1 3.53Å; Y601-V613 HydrophobicContact CE2-CB 3.92Å; Y601-V613 HydrophobicContact CE2-CG1 3.95Å; Y601-V613 VanDerWaalsContact CZ-CG1 3.45Å; I605-V613 HydrophobicContact CD1-CG2 4.22Å; L609-V613 WeakPolarHBondContact O-CG2 3.44Å; L609-V613 PolarHBondContact O-N 3.16Å; E610-V613 PolarHBondContact O-N 3.35Å; V613-L615 PolarHBondContact O-N 3.11Å; V613-H616 PolarHBondContact O-N 3.24Å; V613-H616 VanDerWaalsContact O-N 3.14Å
614L76Confident77.5Confident78 Ų7881.3 Ų81.341%0.40839%0.389SS..Hα-helixtrans-61.7-24.6176-72.5170.5000113.9Y601 E610 N611 F612 H616 R617Y601-L614 WeakPolarHBondContact OH-CD2 3.28Å; E610-L614 WeakPolarHBondContact O-CG 3.45Å; E610-L614 PolarHBondContact O-N 3.35Å; N611-L614 PolarHBondContact O-N 3.46Å; F612-L614 VanDerWaalsContact C-N 3.28Å; F612-L614 PolarHBondContact O-N 3.48Å; L614-H616 PolarHBondContact O-N 3.47Å; L614-R617 PolarHBondContact O-N 3.05Å
615L69.9Low77.2Confident41 Ų4176.8 Ų76.822%0.21537%0.37CS..THydrogen-bonded Turntrans-66.6-16.5176.2-62.2170.3000113.7A556 T557 N611 F612 V613A556-L615 VanDerWaalsContact CA-O 3.28Å; A556-L615 WeakPolarHBondContact CA-O 3.47Å; A556-L615 HydrophobicContact CB-CB 4.35Å; T557-L615 PolarHBondContact N-O 3.38Å; N611-L615 WeakPolarHBondContact O-CG 3.42Å; N611-L615 PolarHBondContact O-N 3.46Å; F612-L615 HydrophobicContact CD2-CD1 4.41Å; F612-L615 WeakPolarHBondContact O-CB 3.33Å; F612-L615 PolarHBondContact O-N 3.44Å; V613-L615 PolarHBondContact O-N 3.11Å
616H70.8Confident76.6Confident15 Ų1579.1 Ų79.17%0.06938%0.379CS..THydrogen-bonded Turntrans-106.67.9-175-55.675.5000112.6D555 V595 F612 V613 L614D555-H616 VanDerWaalsContact CG-NE2 3.34Å; D555-H616 IonicContact OD1-CD2 3.67Å; D555-H616 IonicContact OD1-NE2 3.42Å; D555-H616 PolarHBondContact OD1-NE2 3.01Å; D555-H616 IonicContact OD2-CD2 3.83Å; D555-H616 PolarHBondContact OD2-CD2 3.46Å; D555-H616 IonicContact OD2-NE2 3.92Å; D555-H616 PolarHBondContact OD2-NE2 3.28Å; V595-H616 HydrophobicContact CG2-CB 4.26Å; F612-H616 AromaticContact CD1-CE1 3.93Å; F612-H616 AromaticContact CE1-CE1 3.45Å; F612-H616 VanDerWaalsContact CE1-CE1 3.45Å; F612-H616 WeakPolarHBondContact CE1-CE1 3.34Å; F612-H616 AromaticContact CZ-CE1 3.71Å; F612-H616 PolarHBondContact O-CE1 3.18Å; F612-H616 PolarHBondContact O-ND1 3.46Å; V613-H616 PolarHBondContact O-N 3.24Å; V613-H616 VanDerWaalsContact O-N 3.14Å; L614-H616 PolarHBondContact O-N 3.47Å
617R64.1Low75.7Confident172 Ų17278.3 Ų78.365%0.64936%0.362SS*.  trans-107.60-178.9-172.2178.4-174.2-179.82.5110.1T557 V595 L614T557-R617 PolarHBondContact OG1-OXT 2.98Å; V595-R617 HydrophobicContact CG1-CB 4.44Å; V595-R617 HydrophobicContact CG2-CB 4.44Å; L614-R617 PolarHBondContact O-N 3.05Å

Retrieved 617 of 617 residues in 192.8 ms (Link to these results)

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