A0A087XK27_POEFO Loading...

Family with sequence similarity 98 member A

AlphaFold DB , UniProt , Accession A0A087XK27, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 505 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
1M70.8Confident89.3Confident106 Ų10668.8 Ų68.852%0.52236%0.363SS..  0-63.20-159.1176.5-74.600110.4D4 I5 L104M1-D4 WeakPolarHBondContact CA-OD2 3.18Å; M1-D4 PolarHBondContact N-OD2 3.2Å; M1-D4 PolarHBondContact O-N 3Å; M1-I5 HydrophobicContact CG-CD1 4.09Å; M1-I5 WeakPolarHBondContact O-CD1 3.45Å; M1-I5 WeakPolarHBondContact O-CG1 3.28Å; M1-I5 PolarHBondContact O-N 3.15Å; M1-L104 HydrophobicContact CG-CB 4.23Å; M1-L104 HydrophobicContact SD-CB 3.57Å; M1-L104 VanDerWaalsContact SD-CB 3.57Å; M1-L104 HydrophobicContact SD-CD1 4.46Å
2E83.2Confident89.5Confident40 Ų4063.9 Ų63.919%0.18734%0.337CS..Hα-helixtrans-63.7-53.3-179.2-171.5177.5175.300113.8D4 I5 L6 L24 D25 R100E2-D4 PolarHBondContact O-N 2.64Å; E2-I5 WeakPolarHBondContact O-CB 3.43Å; E2-I5 PolarHBondContact O-N 3.2Å; E2-I5 VanDerWaalsContact O-N 3.12Å; E2-L6 WeakPolarHBondContact O-CG 3.5Å; E2-L6 PolarHBondContact O-N 3.18Å; E2-L24 HydrophobicContact CG-CD2 3.9Å; E2-L24 HydrophobicContact CG-CG 4.39Å; E2-D25 WeakPolarHBondContact OE1-CB 3.28Å; E2-D25 PolarHBondContact OE1-N 3.35Å; E2-R100 IonicContact OE2-NH2 3.78Å; E2-R100 PolarHBondContact OE2-NH2 3.24Å
3N87Confident89.7Confident119 Ų11962.6 Ų62.664%0.63635%0.348SS*.Hα-helixtrans-59.5-36.5177.1-67.6-12.2000112.5L6 V7N3-L6 PolarHBondContact O-N 3.19Å; N3-V7 WeakPolarHBondContact O-CG2 3.49Å; N3-V7 PolarHBondContact O-N 3.42Å
4D89.4Confident90Very high108 Ų10859.6 Ų59.658%0.57833%0.329SS*.Hα-helixtrans-67.1-40.3177.9-47.7-50.4000110.9M1 E2 V7 S8M1-D4 WeakPolarHBondContact CA-OD2 3.18Å; M1-D4 PolarHBondContact N-OD2 3.2Å; M1-D4 PolarHBondContact O-N 3Å; E2-D4 PolarHBondContact O-N 2.64Å; D4-V7 PolarHBondContact O-N 3Å; D4-S8 WeakPolarHBondContact O-CB 3.07Å; D4-S8 PolarHBondContact O-N 3.47Å; D4-S8 PolarHBondContact O-OG 3.3Å
5I92.9Very high90.1Very high5 Ų567.9 Ų67.93%0.02636%0.364CS..Hα-helixtrans-61.6-44.8173.7-71.7162.5000110.4M1 E2 V7 S8 L9 L24 L104 I107 T108M1-I5 HydrophobicContact CG-CD1 4.09Å; M1-I5 WeakPolarHBondContact O-CD1 3.45Å; M1-I5 WeakPolarHBondContact O-CG1 3.28Å; M1-I5 PolarHBondContact O-N 3.15Å; E2-I5 WeakPolarHBondContact O-CB 3.43Å; E2-I5 PolarHBondContact O-N 3.2Å; E2-I5 VanDerWaalsContact O-N 3.12Å; I5-V7 PolarHBondContact O-N 2.92Å; I5-S8 PolarHBondContact O-N 3.16Å; I5-L9 HydrophobicContact CG2-CD1 3.76Å; I5-L9 HydrophobicContact CG2-CG 4.12Å; I5-L9 WeakPolarHBondContact O-CB 3.3Å; I5-L9 VanDerWaalsContact O-CG 3.23Å; I5-L9 WeakPolarHBondContact O-CG 3.45Å; I5-L9 PolarHBondContact O-N 3.41Å; I5-L24 HydrophobicContact CB-CD2 4.38Å; I5-L24 HydrophobicContact CG2-CD2 3.83Å; I5-L104 HydrophobicContact CD1-CB 4.32Å; I5-L104 HydrophobicContact CD1-CD2 3.7Å; I5-I107 HydrophobicContact CD1-CB 4.36Å; I5-I107 HydrophobicContact CD1-CG2 4.24Å; I5-I107 HydrophobicContact CG1-CG2 4.33Å; I5-I107 HydrophobicContact CG2-CG2 3.52Å; I5-T108 WeakPolarHBondContact CD1-OG1 3.42Å
6L93Very high90.2Very high29 Ų2964.9 Ų64.915%0.15235%0.354CS..Hα-helixtrans-60.7-45.7179.3-69.4173.9000111.6E2 N3 L9 E10 L18 L19 L24E2-L6 WeakPolarHBondContact O-CG 3.5Å; E2-L6 PolarHBondContact O-N 3.18Å; N3-L6 PolarHBondContact O-N 3.19Å; L6-L9 PolarHBondContact O-N 2.96Å; L6-E10 PolarHBondContact O-N 2.89Å; L6-L18 WeakPolarHBondContact CD2-O 3.35Å; L6-L19 HydrophobicContact CD2-CD2 4.11Å; L6-L24 HydrophobicContact CD2-CB 4.16Å; L6-L24 HydrophobicContact CD2-CD2 3.72Å; L6-L24 HydrophobicContact CG-CD2 3.96Å
7V93.2Very high90.2Very high79 Ų7965.5 Ų65.548%0.47936%0.362SS..Hα-helixtrans-59.9-48.5175.1172.80000111N3 D4 I5 L9 E10 D11N3-V7 WeakPolarHBondContact O-CG2 3.49Å; N3-V7 PolarHBondContact O-N 3.42Å; D4-V7 PolarHBondContact O-N 3Å; I5-V7 PolarHBondContact O-N 2.92Å; V7-L9 VanDerWaalsContact C-N 3.32Å; V7-L9 PolarHBondContact O-N 3.02Å; V7-E10 PolarHBondContact O-N 2.78Å; V7-D11 PolarHBondContact O-N 2.95Å
8S93.8Very high90.3Very high24 Ų2462.1 Ų62.117%0.16834%0.343CS..Hα-helixtrans-61.6-38.1177.1-79.30000112.7D4 I5 D11 L12 V111 E115D4-S8 WeakPolarHBondContact O-CB 3.07Å; D4-S8 PolarHBondContact O-N 3.47Å; D4-S8 PolarHBondContact O-OG 3.3Å; I5-S8 PolarHBondContact O-N 3.16Å; S8-D11 PolarHBondContact O-N 3.03Å; S8-L12 VanDerWaalsContact O-CB 3.25Å; S8-L12 WeakPolarHBondContact O-CB 3.19Å; S8-L12 WeakPolarHBondContact O-CD1 3.18Å; S8-L12 WeakPolarHBondContact O-CG 3.48Å; S8-L12 PolarHBondContact O-N 3.25Å; S8-V111 VanDerWaalsContact CB-CG1 3.46Å; S8-E115 VanDerWaalsContact CB-OE1 3.22Å; S8-E115 WeakPolarHBondContact CB-OE1 3.32Å; S8-E115 PolarHBondContact OG-OE1 2.74Å
9L94.2Very high90.3Very high0 Ų061.3 Ų61.30%034%0.338CS..Hα-helixtrans-65.6-41.4177.6-74175.5000111.8I5 L6 V7 L12 G13 Y14 L19 L40 W43 I44 V111I5-L9 HydrophobicContact CG2-CD1 3.76Å; I5-L9 HydrophobicContact CG2-CG 4.12Å; I5-L9 WeakPolarHBondContact O-CB 3.3Å; I5-L9 VanDerWaalsContact O-CG 3.23Å; I5-L9 WeakPolarHBondContact O-CG 3.45Å; I5-L9 PolarHBondContact O-N 3.41Å; L6-L9 PolarHBondContact O-N 2.96Å; V7-L9 VanDerWaalsContact C-N 3.32Å; V7-L9 PolarHBondContact O-N 3.02Å; L9-L12 PolarHBondContact O-N 3.46Å; L9-G13 PolarHBondContact O-N 3.38Å; L9-Y14 HydrophobicContact CB-CD1 4.36Å; L9-Y14 HydrophobicContact CD1-CD1 4.44Å; L9-Y14 VanDerWaalsContact O-CB 3.26Å; L9-Y14 WeakPolarHBondContact O-CB 3.4Å; L9-Y14 PolarHBondContact O-N 3.41Å; L9-L19 HydrophobicContact CB-CD2 4.11Å; L9-L40 HydrophobicContact CD1-CD1 3.97Å; L9-L40 HydrophobicContact CD1-CD2 3.99Å; L9-L40 HydrophobicContact CD2-CD1 3.82Å; L9-W43 HydrophobicContact CD2-CZ3 4.02Å; L9-I44 HydrophobicContact CD2-CD1 4.36Å; L9-I44 HydrophobicContact CD2-CG1 4.47Å; L9-V111 HydrophobicContact CD2-CG2 3.97Å
10E93.4Very high90.4Very high118 Ų11865.1 Ų65.155%0.55135%0.353SS*.Hα-helixtrans-61.2-48.6172.9-73.2-178-176.900111.4L6 V7 L12 G13 L19L6-E10 PolarHBondContact O-N 2.89Å; V7-E10 PolarHBondContact O-N 2.78Å; E10-L12 PolarHBondContact O-N 3.24Å; E10-G13 WeakPolarHBondContact O-CA 3.44Å; E10-G13 PolarHBondContact O-N 2.97Å; E10-L19 HydrophobicContact CG-CD1 4.03Å; E10-L19 HydrophobicContact CG-CD2 3.89Å
11D91.2Very high90.2Very high129 Ų12970.3 Ų70.369%0.6938%0.381SS*.Hα-helixtrans-61.8-33178.1-79.1-17.7000112.3V7 S8 G13V7-D11 PolarHBondContact O-N 2.95Å; S8-D11 PolarHBondContact O-N 3.03Å; D11-G13 VanDerWaalsContact C-N 3.25Å; D11-G13 PolarHBondContact O-N 3.42Å
12L92.3Very high91.1Very high10 Ų1066.8 Ų66.85%0.05237%0.372CS..Hα-helixtrans-77.4-10175.7-72.6170.6000113.4S8 L9 E10 W43 V111 L114 E115 R118S8-L12 VanDerWaalsContact O-CB 3.25Å; S8-L12 WeakPolarHBondContact O-CB 3.19Å; S8-L12 WeakPolarHBondContact O-CD1 3.18Å; S8-L12 WeakPolarHBondContact O-CG 3.48Å; S8-L12 PolarHBondContact O-N 3.25Å; L9-L12 PolarHBondContact O-N 3.46Å; E10-L12 PolarHBondContact O-N 3.24Å; L12-W43 HydrophobicContact CB-CH2 4.16Å; L12-V111 HydrophobicContact CD1-CB 4.44Å; L12-V111 HydrophobicContact CD1-CG1 3.86Å; L12-V111 HydrophobicContact CD1-CG2 4.38Å; L12-L114 HydrophobicContact CD1-CD2 4.02Å; L12-L114 HydrophobicContact CD1-CG 4.41Å; L12-L114 HydrophobicContact CD2-CD2 4.1Å; L12-L114 HydrophobicContact CD2-CG 3.96Å; L12-E115 HydrophobicContact CD1-CG 4.15Å; L12-E115 HydrophobicContact CD2-CG 3.9Å; L12-E115 HydrophobicContact CG-CG 4.22Å; L12-R118 PolarHBondContact O-NH1 3.37Å; L12-R118 PolarHBondContact O-NH2 2.82Å; L12-R118 VanDerWaalsContact O-NH2 3.15Å
13G91.3Very high91.5Very high47 Ų4766.1 Ų66.149%0.48537%0.373SS..THydrogen-bonded Turntrans87.321.4177.200000114.5L9 E10 D11L9-G13 PolarHBondContact O-N 3.38Å; E10-G13 WeakPolarHBondContact O-CA 3.44Å; E10-G13 PolarHBondContact O-N 2.97Å; D11-G13 VanDerWaalsContact C-N 3.25Å; D11-G13 PolarHBondContact O-N 3.42Å
14Y94.7Very high91.8Very high21 Ų2160.5 Ų60.58%0.08234%0.343CS..  trans-65139.7170.6-174.4-116000110.1L9 G16 L18 L19 L40 W43L9-Y14 HydrophobicContact CB-CD1 4.36Å; L9-Y14 HydrophobicContact CD1-CD1 4.44Å; L9-Y14 VanDerWaalsContact O-CB 3.26Å; L9-Y14 WeakPolarHBondContact O-CB 3.4Å; L9-Y14 PolarHBondContact O-N 3.41Å; Y14-G16 VanDerWaalsContact CE1-CA 3.49Å; Y14-L18 HydrophobicContact CE1-CB 4.18Å; Y14-L19 HydrophobicContact CD1-CD1 4.22Å; Y14-L19 HydrophobicContact CD1-CD2 4.13Å; Y14-L19 HydrophobicContact CD1-CG 3.88Å; Y14-L19 HydrophobicContact CE1-CG 4.34Å; Y14-L19 WeakPolarHBondContact O-CD1 3.23Å; Y14-L40 HydrophobicContact CD1-CD1 4.29Å; Y14-L40 HydrophobicContact CD2-CD1 4.11Å; Y14-L40 HydrophobicContact CE1-CD1 3.96Å; Y14-L40 HydrophobicContact CE2-CD1 3.74Å; Y14-L40 HydrophobicContact CG-CD1 4.35Å; Y14-W43 AromaticContact CD2-CD2 3.46Å; Y14-W43 HydrophobicContact CD2-CD2 3.46Å; Y14-W43 VanDerWaalsContact CD2-CD2 3.46Å; Y14-W43 AromaticContact CD2-CE2 3.76Å; Y14-W43 AromaticContact CD2-CE3 3.5Å; Y14-W43 HydrophobicContact CD2-CE3 3.5Å; Y14-W43 AromaticContact CD2-CG 3.98Å; Y14-W43 HydrophobicContact CD2-CG 3.98Å; Y14-W43 HydrophobicContact CD2-CH2 4.16Å; Y14-W43 HydrophobicContact CD2-CZ2 4.1Å; Y14-W43 AromaticContact CD2-CZ3 3.87Å; Y14-W43 HydrophobicContact CD2-CZ3 3.87Å; Y14-W43 HydrophobicContact CE2-CB 4.41Å; Y14-W43 HydrophobicContact CE2-CD2 4.04Å; Y14-W43 HydrophobicContact CE2-CE3 4.17Å; Y14-W43 HydrophobicContact CE2-CG 4.1Å; Y14-W43 HydrophobicContact CG-CD2 4.48Å; Y14-W43 HydrophobicContact CG-CE3 4.21Å; Y14-W43 HydrophobicContact CG-CH2 4.32Å; Y14-W43 HydrophobicContact CG-CZ3 4.14Å
15Q91.8Very high91.9Very high184 Ų18457.2 Ų57.286%0.8633%0.325SS*.  trans-131.120.4179.4-63-174.7-11.100112.1
16G90.9Very high91.9Very high19 Ų1960.1 Ų60.120%0.19635%0.346CS..SBendtrans-84.6173-177.500000113.5Y14 L18 L19Y14-G16 VanDerWaalsContact CE1-CA 3.49Å; G16-L18 PolarHBondContact O-N 3.44Å; G16-L18 VanDerWaalsContact O-N 3.1Å; G16-L19 PolarHBondContact O-N 3.35Å
17P90Very high91.9Very high76 Ų7658.8 Ų58.849%0.49434%0.339SS..G310 helixtrans-68.1-13.1-17128.8-36.5000113.9L19 E20 A23P17-L19 PolarHBondContact O-N 2.95Å; P17-E20 WeakPolarHBondContact O-CB 3.4Å; P17-E20 PolarHBondContact O-N 3.44Å; P17-A23 WeakPolarHBondContact O-CB 3.33Å
18L92.4Very high92Very high4 Ų455 Ų552%0.02132%0.317CS..G310 helixtrans-74.9-3.2179.5-63.7-172.3000114.3L6 Y14 G16 E20 A23 L24 A27 E36 L40L6-L18 WeakPolarHBondContact CD2-O 3.35Å; Y14-L18 HydrophobicContact CE1-CB 4.18Å; G16-L18 PolarHBondContact O-N 3.44Å; G16-L18 VanDerWaalsContact O-N 3.1Å; L18-E20 VanDerWaalsContact C-N 3.31Å; L18-A23 HydrophobicContact CD2-CB 4.25Å; L18-L24 HydrophobicContact CD1-CD1 4.17Å; L18-A27 HydrophobicContact CD1-CB 4.27Å; L18-A27 HydrophobicContact CD2-CB 3.73Å; L18-E36 HydrophobicContact CD1-CB 4.49Å; L18-E36 HydrophobicContact CD2-CB 3.83Å; L18-E36 HydrophobicContact CG-CB 4.39Å; L18-L40 HydrophobicContact CD1-CB 3.74Å; L18-L40 HydrophobicContact CD1-CD2 3.73Å; L18-L40 HydrophobicContact CD1-CG 4.28Å
19L91.2Very high91.9Very high47 Ų4759.2 Ų59.225%0.24634%0.335CS..G310 helixtrans-79.8-13.8169.2-64.2180000112.9L6 L9 E10 Y14 G16 P17L6-L19 HydrophobicContact CD2-CD2 4.11Å; L9-L19 HydrophobicContact CB-CD2 4.11Å; E10-L19 HydrophobicContact CG-CD1 4.03Å; E10-L19 HydrophobicContact CG-CD2 3.89Å; Y14-L19 HydrophobicContact CD1-CD1 4.22Å; Y14-L19 HydrophobicContact CD1-CD2 4.13Å; Y14-L19 HydrophobicContact CD1-CG 3.88Å; Y14-L19 HydrophobicContact CE1-CG 4.34Å; Y14-L19 WeakPolarHBondContact O-CD1 3.23Å; G16-L19 PolarHBondContact O-N 3.35Å; P17-L19 PolarHBondContact O-N 2.95Å
20E90.9Very high91.8Very high136 Ų13665.4 Ų65.464%0.63636%0.358SS*.SBendtrans-68.3145.1175.3-63.8-179.8-175.700110.9P17 L18 G22 A23P17-E20 WeakPolarHBondContact O-CB 3.4Å; P17-E20 PolarHBondContact O-N 3.44Å; L18-E20 VanDerWaalsContact C-N 3.31Å; E20-G22 PolarHBondContact O-N 2.73Å; E20-A23 HydrophobicContact CB-CB 4.07Å; E20-A23 VanDerWaalsContact O-CB 3.25Å; E20-A23 WeakPolarHBondContact O-CB 3.38Å; E20-A23 PolarHBondContact O-N 3.4Å
21D87.2Confident91.8Very high176 Ų17659.8 Ų59.894%0.94133%0.332SS*.THydrogen-bonded Turntrans-56.9123.7-175.1-16821.4000111.7A23D21-A23 PolarHBondContact O-N 3.15Å
22G88.5Confident91.8Very high32 Ų3253.7 Ų53.733%0.3330%0.299SS..THydrogen-bonded Turntrans73.5-2.2-177.700000116.6E20 S26E20-G22 PolarHBondContact O-N 2.73Å; G22-S26 PolarHBondContact O-N 3.44Å; G22-S26 PolarHBondContact O-OG 3.19Å
23A92.3Very high91.8Very high25 Ų2555 Ų5521%0.20731%0.312CS..Hα-helixtrans-70.3-41179.900000112.1P17 L18 E20 D21 S26 A27P17-A23 WeakPolarHBondContact O-CB 3.33Å; L18-A23 HydrophobicContact CD2-CB 4.25Å; E20-A23 HydrophobicContact CB-CB 4.07Å; E20-A23 VanDerWaalsContact O-CB 3.25Å; E20-A23 WeakPolarHBondContact O-CB 3.38Å; E20-A23 PolarHBondContact O-N 3.4Å; D21-A23 PolarHBondContact O-N 3.15Å; A23-S26 PolarHBondContact O-N 3.43Å; A23-A27 PolarHBondContact O-N 3.13Å; A23-A27 VanDerWaalsContact O-N 3.1Å
24L92.8Very high91.9Very high1 Ų152.8 Ų52.81%0.00529%0.289CS..Hα-helixtrans-61.5-49.5176.2-178.959.1000111.3E2 I5 L6 L18 S26 A27 V28 L40 I107E2-L24 HydrophobicContact CG-CD2 3.9Å; E2-L24 HydrophobicContact CG-CG 4.39Å; I5-L24 HydrophobicContact CB-CD2 4.38Å; I5-L24 HydrophobicContact CG2-CD2 3.83Å; L6-L24 HydrophobicContact CD2-CB 4.16Å; L6-L24 HydrophobicContact CD2-CD2 3.72Å; L6-L24 HydrophobicContact CG-CD2 3.96Å; L18-L24 HydrophobicContact CD1-CD1 4.17Å; L24-S26 VanDerWaalsContact C-N 3.3Å; L24-S26 PolarHBondContact O-N 3.12Å; L24-A27 WeakPolarHBondContact O-CB 3.37Å; L24-A27 PolarHBondContact O-N 3.24Å; L24-V28 HydrophobicContact CD1-CG1 3.99Å; L24-V28 HydrophobicContact CG-CG1 4.48Å; L24-V28 WeakPolarHBondContact O-CG2 3.15Å; L24-V28 PolarHBondContact O-N 3.37Å; L24-L40 HydrophobicContact CD1-CD2 4.09Å; L24-I107 HydrophobicContact CD1-CD1 4.04Å
25D92.8Very high91.9Very high39 Ų3952.7 Ų52.721%0.20929%0.29CS..Hα-helixtrans-52.5-47.8176.7-162.647000112.1E2 A27 V28 M29 R100E2-D25 WeakPolarHBondContact OE1-CB 3.28Å; E2-D25 PolarHBondContact OE1-N 3.35Å; D25-A27 VanDerWaalsContact C-N 3.29Å; D25-A27 PolarHBondContact O-N 2.85Å; D25-V28 VanDerWaalsContact O-CG2 3.29Å; D25-V28 WeakPolarHBondContact O-CG2 3.38Å; D25-V28 PolarHBondContact O-N 3.06Å; D25-M29 WeakPolarHBondContact O-CB 3.31Å; D25-M29 WeakPolarHBondContact O-CG 3.26Å; D25-M29 PolarHBondContact O-N 3.15Å; D25-M29 VanDerWaalsContact OD2-CE 3.25Å; D25-M29 WeakPolarHBondContact OD2-CE 3.47Å; D25-R100 IonicContact OD1-CZ 2.69Å; D25-R100 IonicContact OD1-NE 3.24Å; D25-R100 PolarHBondContact OD1-NE 3.01Å; D25-R100 IonicContact OD1-NH2 3.87Å; D25-R100 PolarHBondContact OD1-NH2 2.86Å
26S92.7Very high92Very high67 Ų6747 Ų4747%0.46926%0.264SS..Hα-helixtrans-63.3-33.3179.1-60.80000113.1G22 A23 L24 R30G22-S26 PolarHBondContact O-N 3.44Å; G22-S26 PolarHBondContact O-OG 3.19Å; A23-S26 PolarHBondContact O-N 3.43Å; L24-S26 VanDerWaalsContact C-N 3.3Å; L24-S26 PolarHBondContact O-N 3.12Å; S26-R30 PolarHBondContact O-NE 3.44Å
27A93.1Very high92.2Very high1 Ų146.1 Ų46.11%0.00826%0.255CS..Hα-helixtrans-75.4-46.2176.900000111.5L18 A23 L24 D25 M29 R30 G31 E36 F37L18-A27 HydrophobicContact CD1-CB 4.27Å; L18-A27 HydrophobicContact CD2-CB 3.73Å; A23-A27 PolarHBondContact O-N 3.13Å; A23-A27 VanDerWaalsContact O-N 3.1Å; L24-A27 WeakPolarHBondContact O-CB 3.37Å; L24-A27 PolarHBondContact O-N 3.24Å; D25-A27 VanDerWaalsContact C-N 3.29Å; D25-A27 PolarHBondContact O-N 2.85Å; A27-M29 VanDerWaalsContact C-N 3.33Å; A27-M29 PolarHBondContact O-N 2.91Å; A27-R30 PolarHBondContact O-N 2.82Å; A27-R30 VanDerWaalsContact O-N 3.15Å; A27-G31 PolarHBondContact O-N 2.83Å; A27-G31 VanDerWaalsContact O-N 3.07Å; A27-E36 HydrophobicContact CB-CB 4.24Å; A27-F37 HydrophobicContact CB-CB 4.16Å
28V94.6Very high92.5Very high0 Ų042.5 Ų42.50%023%0.231CC..Hα-helixtrans-70.8-26.3-178.9-63.90000113.3L24 D25 R30 G31 F37 R100 C103 L104 I107L24-V28 HydrophobicContact CD1-CG1 3.99Å; L24-V28 HydrophobicContact CG-CG1 4.48Å; L24-V28 WeakPolarHBondContact O-CG2 3.15Å; L24-V28 PolarHBondContact O-N 3.37Å; D25-V28 VanDerWaalsContact O-CG2 3.29Å; D25-V28 WeakPolarHBondContact O-CG2 3.38Å; D25-V28 PolarHBondContact O-N 3.06Å; V28-R30 VanDerWaalsContact C-N 3.26Å; V28-R30 PolarHBondContact O-N 3.05Å; V28-G31 PolarHBondContact O-N 3.21Å; V28-F37 HydrophobicContact CG1-CD2 3.99Å; V28-F37 HydrophobicContact CG1-CE2 4.2Å; V28-R100 HydrophobicContact CG2-CG 3.86Å; V28-C103 HydrophobicContact CB-CB 3.92Å; V28-C103 HydrophobicContact CG1-CB 4.15Å; V28-L104 HydrophobicContact CB-CD2 4.46Å; V28-L104 HydrophobicContact CB-CG 4.41Å; V28-L104 HydrophobicContact CG1-CD2 3.99Å; V28-L104 HydrophobicContact CG1-CG 4.34Å; V28-L104 HydrophobicContact CG2-CD2 4.1Å; V28-L104 HydrophobicContact CG2-CG 4.14Å; V28-I107 HydrophobicContact CG1-CD1 3.75Å
29M92.8Very high92.7Very high112 Ų11247.2 Ų47.255%0.55225%0.252SS*.Hα-helixtrans-65.9-29.1171.6-78.2-168.8-177.300113D25 A27D25-M29 WeakPolarHBondContact O-CB 3.31Å; D25-M29 WeakPolarHBondContact O-CG 3.26Å; D25-M29 PolarHBondContact O-N 3.15Å; D25-M29 VanDerWaalsContact OD2-CE 3.25Å; D25-M29 WeakPolarHBondContact OD2-CE 3.47Å; A27-M29 VanDerWaalsContact C-N 3.33Å; A27-M29 PolarHBondContact O-N 2.91Å
30R91.3Very high92.9Very high130 Ų13045 Ų4549%0.49124%0.24SC..Hα-helixtrans-91.8-13.6177.1-69.4-173.7-62.7170.310.7112.7S26 A27 V28 A33 S34 E36S26-R30 PolarHBondContact O-NE 3.44Å; A27-R30 PolarHBondContact O-N 2.82Å; A27-R30 VanDerWaalsContact O-N 3.15Å; V28-R30 VanDerWaalsContact C-N 3.26Å; V28-R30 PolarHBondContact O-N 3.05Å; R30-A33 WeakPolarHBondContact O-CB 3.36Å; R30-A33 PolarHBondContact O-N 3.34Å; R30-S34 PolarHBondContact NH2-OG 3.03Å; R30-E36 IonicContact CZ-OE2 3.14Å; R30-E36 IonicContact NH2-OE2 2.72Å; R30-E36 PolarHBondContact NH2-OE2 2.9Å
31G92.6Very high93.2Very high0 Ų038.5 Ų38.50%021%0.21CC..G310 helixtrans53.8-136.2173.900000113.4A27 V28 A33 S34 F37 F97 C103A27-G31 PolarHBondContact O-N 2.83Å; A27-G31 VanDerWaalsContact O-N 3.07Å; V28-G31 PolarHBondContact O-N 3.21Å; G31-A33 PolarHBondContact O-N 2.93Å; G31-S34 PolarHBondContact O-N 3.15Å; G31-F37 VanDerWaalsContact C-CD1 3.45Å; G31-F37 WeakPolarHBondContact O-CD1 3.31Å; G31-F97 WeakPolarHBondContact CA-O 3.38Å; G31-C103 VanDerWaalsContact CA-SG 3.55Å
32A91.8Very high93.6Very high0 Ų031 Ų310%017%0.172CC..G310 helixtrans-58.7-18.3-178.600000114.7A67 F70 Q71 F97A32-A67 HydrophobicContact CB-CB 4.1Å; A32-A67 WeakPolarHBondContact O-CB 3.44Å; A32-F70 HydrophobicContact CB-CD1 4.03Å; A32-F70 HydrophobicContact CB-CE1 4.43Å; A32-Q71 HydrophobicContact CB-CG 3.67Å; A32-F97 HydrophobicContact CB-CB 4.22Å; A32-F97 PolarHBondContact N-O 3.25Å
33A91.9Very high93.9Very high38 Ų3832.3 Ų32.331%0.31417%0.167SC..G310 helixtrans-81.4-11.8175.700000113.6R30 G31 P35 P64R30-A33 WeakPolarHBondContact O-CB 3.36Å; R30-A33 PolarHBondContact O-N 3.34Å; G31-A33 PolarHBondContact O-N 2.93Å; A33-P35 WeakPolarHBondContact O-CD 3.5Å; A33-P64 HydrophobicContact CB-CB 4.12Å
34S94.7Very high94.1Very high0 Ų031.1 Ų31.10%016%0.157CC..  trans-89.6119.1175.9168.30000111.3R30 G31 E36 F37 T38R30-S34 PolarHBondContact NH2-OG 3.03Å; G31-S34 PolarHBondContact O-N 3.15Å; S34-E36 PolarHBondContact O-N 2.86Å; S34-E36 PolarHBondContact OG-N 3.26Å; S34-E36 PolarHBondContact OG-OE2 3.15Å; S34-F37 PolarHBondContact O-N 2.9Å; S34-F37 PolarHBondContact OG-N 3.46Å; S34-T38 PolarHBondContact O-N 2.93Å; S34-T38 VanDerWaalsContact O-N 3.15Å; S34-T38 PolarHBondContact O-OG1 3.42Å
35P94Very high94.2Very high19 Ų1931.1 Ų31.112%0.12316%0.158CC..Hα-helixtrans-57.2-34.2171.4-28.738.7000113.1A33 T38 K39 T61A33-P35 WeakPolarHBondContact O-CD 3.5Å; P35-T38 PolarHBondContact O-OG1 3.48Å; P35-T38 VanDerWaalsContact O-OG1 3.12Å; P35-K39 VanDerWaalsContact O-CB 3.24Å; P35-K39 WeakPolarHBondContact O-CB 3.37Å; P35-K39 WeakPolarHBondContact O-CD 3.41Å; P35-K39 WeakPolarHBondContact O-CG 3.3Å; P35-K39 PolarHBondContact O-N 3.31Å; P35-T61 WeakPolarHBondContact CB-O 3.13Å
36E94Very high94.3Very high66 Ų6632 Ų3231%0.30817%0.167SC..Hα-helixtrans-68-42.6-179.3-57.173.7-157.200111.3L18 A27 R30 S34 K39 L40L18-E36 HydrophobicContact CD1-CB 4.49Å; L18-E36 HydrophobicContact CD2-CB 3.83Å; L18-E36 HydrophobicContact CG-CB 4.39Å; A27-E36 HydrophobicContact CB-CB 4.24Å; R30-E36 IonicContact CZ-OE2 3.14Å; R30-E36 IonicContact NH2-OE2 2.72Å; R30-E36 PolarHBondContact NH2-OE2 2.9Å; S34-E36 PolarHBondContact O-N 2.86Å; S34-E36 PolarHBondContact OG-N 3.26Å; S34-E36 PolarHBondContact OG-OE2 3.15Å; E36-K39 PolarHBondContact O-N 2.9Å; E36-L40 PolarHBondContact O-N 2.99Å; E36-L40 VanDerWaalsContact O-N 3.09Å
37F95.6Very high94.3Very high0 Ų030.9 Ų30.90%015%0.154CC..Hα-helixtrans-62.2-47.3175171.9-103.1000112.2A27 V28 G31 S34 K39 L40 C41 F70 C103 L106 I107A27-F37 HydrophobicContact CB-CB 4.16Å; V28-F37 HydrophobicContact CG1-CD2 3.99Å; V28-F37 HydrophobicContact CG1-CE2 4.2Å; G31-F37 VanDerWaalsContact C-CD1 3.45Å; G31-F37 WeakPolarHBondContact O-CD1 3.31Å; S34-F37 PolarHBondContact O-N 2.9Å; S34-F37 PolarHBondContact OG-N 3.46Å; F37-K39 PolarHBondContact O-N 3.3Å; F37-L40 PolarHBondContact O-N 3.26Å; F37-C41 PolarHBondContact O-N 3.28Å; F37-C41 VanDerWaalsContact O-N 3.11Å; F37-C41 PolarHBondContact O-SG 3.09Å; F37-C41 VanDerWaalsContact O-SG 3.35Å; F37-F70 HydrophobicContact CE1-CE1 4.11Å; F37-F70 HydrophobicContact CE1-CZ 4.31Å; F37-C103 HydrophobicContact CD2-CB 4.46Å; F37-C103 HydrophobicContact CE2-CB 3.62Å; F37-C103 HydrophobicContact CZ-CB 3.76Å; F37-L106 HydrophobicContact CZ-CD2 3.91Å; F37-I107 HydrophobicContact CD2-CD1 3.94Å; F37-I107 HydrophobicContact CE2-CD1 3.68Å; F37-I107 HydrophobicContact CE2-CG1 3.94Å
38T95.4Very high94.3Very high0 Ų030.9 Ų30.90%015%0.154CC..Hα-helixtrans-68.8-34.7-179.461.90000111.9S34 P35 C41 A42 T61 F70S34-T38 PolarHBondContact O-N 2.93Å; S34-T38 VanDerWaalsContact O-N 3.15Å; S34-T38 PolarHBondContact O-OG1 3.42Å; P35-T38 PolarHBondContact O-OG1 3.48Å; P35-T38 VanDerWaalsContact O-OG1 3.12Å; T38-C41 PolarHBondContact O-N 3.35Å; T38-A42 WeakPolarHBondContact O-CB 3.41Å; T38-A42 PolarHBondContact O-N 3.47Å; T38-T61 HydrophobicContact CG2-CG2 4.09Å; T38-T61 WeakPolarHBondContact CG2-OG1 3.44Å; T38-T61 PolarHBondContact OG1-N 3.33Å; T38-T61 PolarHBondContact OG1-OG1 3.19Å; T38-F70 HydrophobicContact CG2-CB 4.49Å; T38-F70 HydrophobicContact CG2-CD1 3.78Å; T38-F70 HydrophobicContact CG2-CD2 3.72Å; T38-F70 HydrophobicContact CG2-CE1 3.85Å; T38-F70 HydrophobicContact CG2-CE2 3.76Å; T38-F70 HydrophobicContact CG2-CG 3.72Å; T38-F70 HydrophobicContact CG2-CZ 3.83Å
39K95.9Very high94.2Very high103 Ų10334.9 Ų34.945%0.44817%0.169SC..Hα-helixtrans-61.4-41.6171.7-77.5170-172.41750112.7P35 E36 F37 A42 W43 A60P35-K39 VanDerWaalsContact O-CB 3.24Å; P35-K39 WeakPolarHBondContact O-CB 3.37Å; P35-K39 WeakPolarHBondContact O-CD 3.41Å; P35-K39 WeakPolarHBondContact O-CG 3.3Å; P35-K39 PolarHBondContact O-N 3.31Å; E36-K39 PolarHBondContact O-N 2.9Å; F37-K39 PolarHBondContact O-N 3.3Å; K39-A42 PolarHBondContact O-N 2.96Å; K39-W43 WeakPolarHBondContact O-CB 3.38Å; K39-W43 PolarHBondContact O-N 3.02Å; K39-A60 HydrophobicContact CB-CB 4.29Å; K39-A60 HydrophobicContact CG-CB 3.55Å
40L96.4Very high94Very high0 Ų035.2 Ų35.20%017%0.172CC..Hα-helixtrans-62.8-47.4174.9175.563.7000111.2L9 Y14 L18 L24 E36 F37 A42 W43 I44 I107L9-L40 HydrophobicContact CD1-CD1 3.97Å; L9-L40 HydrophobicContact CD1-CD2 3.99Å; L9-L40 HydrophobicContact CD2-CD1 3.82Å; Y14-L40 HydrophobicContact CD1-CD1 4.29Å; Y14-L40 HydrophobicContact CD2-CD1 4.11Å; Y14-L40 HydrophobicContact CE1-CD1 3.96Å; Y14-L40 HydrophobicContact CE2-CD1 3.74Å; Y14-L40 HydrophobicContact CG-CD1 4.35Å; L18-L40 HydrophobicContact CD1-CB 3.74Å; L18-L40 HydrophobicContact CD1-CD2 3.73Å; L18-L40 HydrophobicContact CD1-CG 4.28Å; L24-L40 HydrophobicContact CD1-CD2 4.09Å; E36-L40 PolarHBondContact O-N 2.99Å; E36-L40 VanDerWaalsContact O-N 3.09Å; F37-L40 PolarHBondContact O-N 3.26Å; L40-A42 PolarHBondContact O-N 3.06Å; L40-W43 HydrophobicContact CD1-CE3 4.32Å; L40-W43 WeakPolarHBondContact O-CB 3.37Å; L40-W43 PolarHBondContact O-N 2.97Å; L40-I44 HydrophobicContact CD1-CD1 4.27Å; L40-I44 HydrophobicContact CD1-CG1 4.37Å; L40-I44 HydrophobicContact CG-CD1 4.14Å; L40-I44 WeakPolarHBondContact O-CG1 3.4Å; L40-I44 PolarHBondContact O-N 3.39Å; L40-I107 HydrophobicContact CD2-CD1 3.86Å; L40-I107 HydrophobicContact CD2-CG1 4.32Å; L40-I107 HydrophobicContact CD2-CG2 4.34Å
41C96.3Very high93.8Very high0 Ų032.2 Ų32.20%016%0.161CC..Hα-helixtrans-58.2-48.2177-64.90000111.3F37 T38 W43 I44 I45 F70 M74 L110F37-C41 PolarHBondContact O-N 3.28Å; F37-C41 VanDerWaalsContact O-N 3.11Å; F37-C41 PolarHBondContact O-SG 3.09Å; F37-C41 VanDerWaalsContact O-SG 3.35Å; T38-C41 PolarHBondContact O-N 3.35Å; C41-W43 VanDerWaalsContact C-N 3.29Å; C41-W43 PolarHBondContact O-N 3.23Å; C41-I44 PolarHBondContact O-N 3.41Å; C41-I45 VanDerWaalsContact O-CD1 3.29Å; C41-I45 WeakPolarHBondContact O-CD1 3.35Å; C41-I45 WeakPolarHBondContact O-CG1 3.36Å; C41-I45 PolarHBondContact O-N 2.88Å; C41-F70 HydrophobicContact CB-CE2 4.09Å; C41-F70 HydrophobicContact CB-CZ 3.93Å; C41-M74 HydrophobicContact CB-CE 3.76Å; C41-L110 HydrophobicContact CB-CD1 4.42Å
42A95.2Very high93.4Very high19 Ų1935.7 Ų35.716%0.15718%0.177CC..Hα-helixtrans-59.9-38.4177.600000112.3T38 K39 L40 I45 S46 A60T38-A42 WeakPolarHBondContact O-CB 3.41Å; T38-A42 PolarHBondContact O-N 3.47Å; K39-A42 PolarHBondContact O-N 2.96Å; L40-A42 PolarHBondContact O-N 3.06Å; A42-I45 PolarHBondContact O-N 3.31Å; A42-S46 WeakPolarHBondContact O-CB 3.38Å; A42-S46 PolarHBondContact O-N 3.31Å; A42-A60 HydrophobicContact CB-CB 4.07Å
43W96.3Very high93.1Very high58 Ų5845.6 Ų45.622%0.2222%0.22CC..Hα-helixtrans-63.1-50.4174.8176.182.1000112L9 L12 Y14 K39 L40 C41 I45 S46 E47L9-W43 HydrophobicContact CD2-CZ3 4.02Å; L12-W43 HydrophobicContact CB-CH2 4.16Å; Y14-W43 AromaticContact CD2-CD2 3.46Å; Y14-W43 HydrophobicContact CD2-CD2 3.46Å; Y14-W43 VanDerWaalsContact CD2-CD2 3.46Å; Y14-W43 AromaticContact CD2-CE2 3.76Å; Y14-W43 AromaticContact CD2-CE3 3.5Å; Y14-W43 HydrophobicContact CD2-CE3 3.5Å; Y14-W43 AromaticContact CD2-CG 3.98Å; Y14-W43 HydrophobicContact CD2-CG 3.98Å; Y14-W43 HydrophobicContact CD2-CH2 4.16Å; Y14-W43 HydrophobicContact CD2-CZ2 4.1Å; Y14-W43 AromaticContact CD2-CZ3 3.87Å; Y14-W43 HydrophobicContact CD2-CZ3 3.87Å; Y14-W43 HydrophobicContact CE2-CB 4.41Å; Y14-W43 HydrophobicContact CE2-CD2 4.04Å; Y14-W43 HydrophobicContact CE2-CE3 4.17Å; Y14-W43 HydrophobicContact CE2-CG 4.1Å; Y14-W43 HydrophobicContact CG-CD2 4.48Å; Y14-W43 HydrophobicContact CG-CE3 4.21Å; Y14-W43 HydrophobicContact CG-CH2 4.32Å; Y14-W43 HydrophobicContact CG-CZ3 4.14Å; K39-W43 WeakPolarHBondContact O-CB 3.38Å; K39-W43 PolarHBondContact O-N 3.02Å; L40-W43 HydrophobicContact CD1-CE3 4.32Å; L40-W43 WeakPolarHBondContact O-CB 3.37Å; L40-W43 PolarHBondContact O-N 2.97Å; C41-W43 VanDerWaalsContact C-N 3.29Å; C41-W43 PolarHBondContact O-N 3.23Å; W43-I45 PolarHBondContact O-N 2.95Å; W43-S46 PolarHBondContact O-N 3.14Å; W43-S46 VanDerWaalsContact O-N 3.1Å; W43-S46 PolarHBondContact O-OG 3.41Å; W43-E47 HydrophobicContact CD2-CG 4.45Å; W43-E47 HydrophobicContact CH2-CG 4.38Å; W43-E47 HydrophobicContact CZ2-CG 3.92Å; W43-E47 PolarHBondContact O-N 2.99Å; W43-E47 VanDerWaalsContact O-N 3.08Å
44I96.1Very high92.9Very high0 Ų044.8 Ų44.80%021%0.211CC..Hα-helixtrans-57.9-40.6178.6-59.6164.9000110.4L9 L40 C41 E47 L48 I107 L110 V111 L114L9-I44 HydrophobicContact CD2-CD1 4.36Å; L9-I44 HydrophobicContact CD2-CG1 4.47Å; L40-I44 HydrophobicContact CD1-CD1 4.27Å; L40-I44 HydrophobicContact CD1-CG1 4.37Å; L40-I44 HydrophobicContact CG-CD1 4.14Å; L40-I44 WeakPolarHBondContact O-CG1 3.4Å; L40-I44 PolarHBondContact O-N 3.39Å; C41-I44 PolarHBondContact O-N 3.41Å; I44-E47 WeakPolarHBondContact O-CB 3.5Å; I44-E47 PolarHBondContact O-N 2.95Å; I44-L48 HydrophobicContact CG2-CD1 4.19Å; I44-L48 PolarHBondContact O-N 3.01Å; I44-I107 HydrophobicContact CD1-CG2 4.26Å; I44-L110 HydrophobicContact CB-CB 4.44Å; I44-L110 HydrophobicContact CD1-CB 4.28Å; I44-L110 HydrophobicContact CG2-CB 3.75Å; I44-V111 HydrophobicContact CD1-CG2 3.91Å; I44-L114 HydrophobicContact CG2-CB 4.32Å; I44-L114 HydrophobicContact CG2-CD2 4.09Å
45I94.9Very high92.5Very high2 Ų252.8 Ų52.81%0.0125%0.248CC..Hα-helixtrans-68.3-38.8179.7-64.8162.9000111.3C41 A42 W43 E47 L48 R49 L54 V58 M74 L77C41-I45 VanDerWaalsContact O-CD1 3.29Å; C41-I45 WeakPolarHBondContact O-CD1 3.35Å; C41-I45 WeakPolarHBondContact O-CG1 3.36Å; C41-I45 PolarHBondContact O-N 2.88Å; A42-I45 PolarHBondContact O-N 3.31Å; W43-I45 PolarHBondContact O-N 2.95Å; I45-E47 VanDerWaalsContact C-N 3.26Å; I45-E47 PolarHBondContact O-N 3.42Å; I45-L48 PolarHBondContact O-N 3.3Å; I45-R49 VanDerWaalsContact O-CG 3.29Å; I45-R49 WeakPolarHBondContact O-CG 3.44Å; I45-R49 PolarHBondContact O-N 2.94Å; I45-L54 HydrophobicContact CG2-CD1 4.48Å; I45-V58 HydrophobicContact CD1-CB 3.6Å; I45-V58 HydrophobicContact CD1-CG1 4.05Å; I45-V58 HydrophobicContact CD1-CG2 3.66Å; I45-M74 HydrophobicContact CD1-CE 3.82Å; I45-M74 HydrophobicContact CD1-SD 4.39Å; I45-L77 HydrophobicContact CB-CD2 4.43Å; I45-L77 HydrophobicContact CD1-CD2 3.27Å; I45-L77 HydrophobicContact CG1-CD2 3.53Å; I45-L77 HydrophobicContact CG2-CD2 4.03Å
46S93.8Very high92.2Very high57 Ų5755.8 Ų55.840%0.39926%0.261SS..Hα-helixtrans-61.6-36.2174.676.80000112.2A42 W43A42-S46 WeakPolarHBondContact O-CB 3.38Å; A42-S46 PolarHBondContact O-N 3.31Å; W43-S46 PolarHBondContact O-N 3.14Å; W43-S46 VanDerWaalsContact O-N 3.1Å; W43-S46 PolarHBondContact O-OG 3.41Å
47E94.1Very high91.7Very high44 Ų4456.1 Ų56.121%0.20626%0.264CS..Hα-helixtrans-71.7-41.3173.8-73.7-65.4123.500111.8W43 I44 I45 R49 L50 Y51 L114 R118W43-E47 HydrophobicContact CD2-CG 4.45Å; W43-E47 HydrophobicContact CH2-CG 4.38Å; W43-E47 HydrophobicContact CZ2-CG 3.92Å; W43-E47 PolarHBondContact O-N 2.99Å; W43-E47 VanDerWaalsContact O-N 3.08Å; I44-E47 WeakPolarHBondContact O-CB 3.5Å; I44-E47 PolarHBondContact O-N 2.95Å; I45-E47 VanDerWaalsContact C-N 3.26Å; I45-E47 PolarHBondContact O-N 3.42Å; E47-R49 VanDerWaalsContact C-N 3.26Å; E47-R49 PolarHBondContact O-N 3.2Å; E47-L50 WeakPolarHBondContact O-CB 3.24Å; E47-L50 WeakPolarHBondContact O-CG 3.48Å; E47-L50 PolarHBondContact O-N 3.28Å; E47-L50 VanDerWaalsContact O-N 3.14Å; E47-Y51 VanDerWaalsContact O-CD2 3.27Å; E47-Y51 WeakPolarHBondContact O-CD2 3.45Å; E47-Y51 VanDerWaalsContact O-CE2 3.24Å; E47-Y51 WeakPolarHBondContact O-CE2 3.49Å; E47-L114 HydrophobicContact CB-CD1 3.84Å; E47-L114 HydrophobicContact CB-CD2 3.57Å; E47-L114 HydrophobicContact CB-CG 4.4Å; E47-L114 HydrophobicContact CG-CD2 4.34Å; E47-R118 IonicContact OE2-CZ 3.53Å; E47-R118 IonicContact OE2-NH2 3.86Å; E47-R118 PolarHBondContact OE2-NH2 3.32Å
48L92.8Very high91.5Very high0 Ų056.7 Ų56.70%027%0.268CS..Hα-helixtrans-59.4-35.8175.9-85.5168.7000112.8I44 I45 L50 Y51 H52 L54 L110 E113 L114I44-L48 HydrophobicContact CG2-CD1 4.19Å; I44-L48 PolarHBondContact O-N 3.01Å; I45-L48 PolarHBondContact O-N 3.3Å; L48-L50 PolarHBondContact O-N 3Å; L48-L50 VanDerWaalsContact O-N 3.16Å; L48-Y51 PolarHBondContact O-N 3.32Å; L48-H52 PolarHBondContact O-N 3.41Å; L48-L54 HydrophobicContact CB-CD1 4.26Å; L48-L110 HydrophobicContact CD1-CD2 4.46Å; L48-E113 HydrophobicContact CD1-CB 4.44Å; L48-E113 HydrophobicContact CD2-CB 4.07Å; L48-L114 HydrophobicContact CD2-CB 3.92Å; L48-L114 HydrophobicContact CD2-CD1 4.18Å; L48-L114 HydrophobicContact CG-CB 4Å; L48-L114 HydrophobicContact CG-CD1 4.17Å
49R91.4Very high91.3Very high84 Ų8461.9 Ų61.932%0.31729%0.292SS..THydrogen-bonded Turntrans-61.9-19.3177.5-76.4170.8164.1-107.3-17.4114.1I45 E47 Y51 L54 E56 N57I45-R49 VanDerWaalsContact O-CG 3.29Å; I45-R49 WeakPolarHBondContact O-CG 3.44Å; I45-R49 PolarHBondContact O-N 2.94Å; E47-R49 VanDerWaalsContact C-N 3.26Å; E47-R49 PolarHBondContact O-N 3.2Å; R49-Y51 PolarHBondContact O-N 3.04Å; R49-L54 HydrophobicContact CG-CB 4.26Å; R49-L54 HydrophobicContact CG-CD1 3.82Å; R49-L54 HydrophobicContact CG-CG 4.39Å; R49-E56 PolarHBondContact NH2-O 3.14Å; R49-N57 PolarHBondContact NH1-OD1 2.88Å; R49-N57 PolarHBondContact NH2-OD1 3.15Å
50L88.5Confident91.1Very high119 Ų11958.8 Ų58.862%0.62329%0.286SS*.THydrogen-bonded Turntrans-69.2-18.9173.5-57.4178000112.1E47 L48E47-L50 WeakPolarHBondContact O-CB 3.24Å; E47-L50 WeakPolarHBondContact O-CG 3.48Å; E47-L50 PolarHBondContact O-N 3.28Å; E47-L50 VanDerWaalsContact O-N 3.14Å; L48-L50 PolarHBondContact O-N 3Å; L48-L50 VanDerWaalsContact O-N 3.16Å
51Y88.3Confident90.9Very high67 Ų6759 Ų5926%0.26329%0.287SS..THydrogen-bonded Turntrans-117.1-28.4-174.6-49.1-77.4000113.1E47 L48 R49 L114 R118 L121E47-Y51 VanDerWaalsContact O-CD2 3.27Å; E47-Y51 WeakPolarHBondContact O-CD2 3.45Å; E47-Y51 VanDerWaalsContact O-CE2 3.24Å; E47-Y51 WeakPolarHBondContact O-CE2 3.49Å; L48-Y51 PolarHBondContact O-N 3.32Å; R49-Y51 PolarHBondContact O-N 3.04Å; Y51-L114 HydrophobicContact CD2-CD1 4.03Å; Y51-L114 HydrophobicContact CE2-CD1 3.76Å; Y51-R118 HydrophobicContact CE1-CG 4.21Å; Y51-R118 HydrophobicContact CE2-CG 3.91Å; Y51-L121 HydrophobicContact CD1-CD2 4.22Å; Y51-L121 HydrophobicContact CE1-CD2 3.71Å
52H83.5Confident90.7Very high73 Ų7364.9 Ų64.934%0.33832%0.318SS..SBendtrans-117.5143-178.4-68.1101.8000112.1L48 L54 S117L48-H52 PolarHBondContact O-N 3.41Å; H52-L54 VanDerWaalsContact C-N 3.31Å; H52-L54 HydrophobicContact CB-CD1 4.44Å; H52-L54 HydrophobicContact CB-CD2 3.92Å; H52-L54 HydrophobicContact CB-CG 3.85Å; H52-L54 PolarHBondContact O-N 3.12Å; H52-L54 VanDerWaalsContact O-N 3.12Å; H52-S117 PolarHBondContact CE1-OG 2.92Å; H52-S117 PolarHBondContact ND1-OG 2.62Å
53K86.5Confident90.3Very high208 Ų20866.1 Ų66.190%0.90433%0.325SS*.  trans-84.278.6170.2-70.1-174.6179.1-176.20109.2
54L87.6Confident90Very high22 Ų2267.4 Ų67.412%0.11534%0.341CS..  trans-80.2128.3-179.2-60.6173.3000111I45 L48 R49 H52 L77 E80 L81I45-L54 HydrophobicContact CG2-CD1 4.48Å; L48-L54 HydrophobicContact CB-CD1 4.26Å; R49-L54 HydrophobicContact CG-CB 4.26Å; R49-L54 HydrophobicContact CG-CD1 3.82Å; R49-L54 HydrophobicContact CG-CG 4.39Å; H52-L54 VanDerWaalsContact C-N 3.31Å; H52-L54 HydrophobicContact CB-CD1 4.44Å; H52-L54 HydrophobicContact CB-CD2 3.92Å; H52-L54 HydrophobicContact CB-CG 3.85Å; H52-L54 PolarHBondContact O-N 3.12Å; H52-L54 VanDerWaalsContact O-N 3.12Å; L54-L77 HydrophobicContact CB-CD1 4.49Å; L54-L77 HydrophobicContact CD1-CD1 3.95Å; L54-L77 HydrophobicContact CD2-CD1 4.15Å; L54-L77 HydrophobicContact CG-CD1 4.42Å; L54-E80 VanDerWaalsContact CA-OE1 3.27Å; L54-E80 WeakPolarHBondContact CA-OE1 3.43Å; L54-E80 HydrophobicContact CD2-CG 4.35Å; L54-L81 HydrophobicContact CD2-CD2 3.77Å; L54-L81 HydrophobicContact CD2-CG 4.47Å
55E85.6Confident89.8Confident168 Ų16872.4 Ų72.479%0.78538%0.376SS*.  trans-77.6-41.6173.4-64.3-173.8175.400110.3N57 E80E55-N57 PolarHBondContact O-ND2 3.04Å; E55-E80 PolarHBondContact N-OE1 2.93Å; E55-E80 PolarHBondContact N-OE2 3.32Å
56E87.4Confident89.6Confident81 Ų8176.1 Ų76.138%0.37939%0.393SS..  trans-82.5128.8-174.7-66.8-69.6175.800112.4R49 L77 E80R49-E56 PolarHBondContact NH2-O 3.14Å; E56-L77 HydrophobicContact CB-CB 4.06Å; E56-L77 HydrophobicContact CB-CD1 4.24Å; E56-E80 PolarHBondContact N-OE2 3.45Å
57N83.9Confident89.4Confident73 Ų7374 Ų7439%0.3938%0.379SS..  trans-104.6127.7176.7-64.4-89.1000109R49 E55 E73R49-N57 PolarHBondContact NH1-OD1 2.88Å; R49-N57 PolarHBondContact NH2-OD1 3.15Å; E55-N57 PolarHBondContact O-ND2 3.04Å; N57-E73 WeakPolarHBondContact O-CB 3.37Å
58V91.6Very high89.3Confident12 Ų1278 Ų787%0.07340%0.398CS..  trans-108.5122.8172.2-178.30000109I45 F70 E73 M74 L77I45-V58 HydrophobicContact CD1-CB 3.6Å; I45-V58 HydrophobicContact CD1-CG1 4.05Å; I45-V58 HydrophobicContact CD1-CG2 3.66Å; V58-F70 HydrophobicContact CG1-CD2 3.55Å; V58-F70 HydrophobicContact CG1-CE2 3.37Å; V58-F70 HydrophobicContact CG1-CZ 4.36Å; V58-E73 WeakPolarHBondContact CA-OE2 3.38Å; V58-E73 HydrophobicContact CB-CB 4.47Å; V58-E73 HydrophobicContact CG2-CB 4.11Å; V58-M74 HydrophobicContact CG1-CE 3.91Å; V58-M74 HydrophobicContact CG2-CE 4.34Å; V58-M74 HydrophobicContact CG2-SD 4.48Å; V58-L77 HydrophobicContact CG2-CB 4.02Å; V58-L77 HydrophobicContact CG2-CD2 3.84Å
59H90.6Very high89.3Confident109 Ų10979.7 Ų79.751%0.50542%0.416SS..PPolyproline II helixtrans-100.7143.2-179.4-57.792.2000111.1F70 E73H59-F70 WeakPolarHBondContact O-CD2 3.21Å; H59-E73 IonicContact CE1-OE1 2.69Å; H59-E73 IonicContact CG-OE1 3.23Å; H59-E73 IonicContact CG-OE2 2.61Å; H59-E73 PolarHBondContact N-OE2 3.39Å; H59-E73 IonicContact ND1-OE1 3.23Å; H59-E73 PolarHBondContact ND1-OE1 3.15Å; H59-E73 IonicContact ND1-OE2 2.77Å; H59-E73 PolarHBondContact ND1-OE2 2.93Å
60A91.8Very high89.4Confident38 Ų3875.8 Ų75.831%0.31440%0.401SS..PPolyproline II helixtrans-66.8140.8171.400000110.7K39 A42K39-A60 HydrophobicContact CB-CB 4.29Å; K39-A60 HydrophobicContact CG-CB 3.55Å; A42-A60 HydrophobicContact CB-CB 4.07Å
61T93.3Very high89.7Confident5 Ų570.4 Ų70.43%0.03137%0.373CS..PPolyproline II helixtrans-86151.4174.759.10000110.9P35 T38 E66 F70P35-T61 WeakPolarHBondContact CB-O 3.13Å; T38-T61 HydrophobicContact CG2-CG2 4.09Å; T38-T61 WeakPolarHBondContact CG2-OG1 3.44Å; T38-T61 PolarHBondContact OG1-N 3.33Å; T38-T61 PolarHBondContact OG1-OG1 3.19Å; T61-E66 WeakPolarHBondContact CA-OE2 3.45Å; T61-E66 HydrophobicContact CG2-CB 3.69Å; T61-F70 HydrophobicContact CG2-CB 3.73Å; T61-F70 HydrophobicContact CG2-CG 4.41Å
62N90.5Very high89.9Confident123 Ų12372 Ų7266%0.65839%0.385SS*.SBendtrans-101.6-22.8172.9-64.2-57.1000112E66N62-E66 PolarHBondContact N-OE2 2.8Å
63C88.4Confident90.5Very high45 Ų4571.2 Ų71.230%0.30438%0.382SS..SBendtrans-150.8162.3-179.761.40000112.3S65 E66C63-S65 PolarHBondContact O-N 3.47Å; C63-S65 VanDerWaalsContact O-N 3.17Å; C63-S65 PolarHBondContact SG-OG 3.24Å; C63-E66 PolarHBondContact O-N 3.35Å
64P89.7Confident90.9Very high85 Ų8561.3 Ų61.355%0.55234%0.339SS*.G310 helixtrans-59.8-25.6-177.9-27.736.1000115.6A33 E66 A67A33-P64 HydrophobicContact CB-CB 4.12Å; P64-E66 PolarHBondContact O-N 3.19Å; P64-A67 WeakPolarHBondContact O-CB 3.2Å; P64-A67 PolarHBondContact O-N 2.87Å
65S90.6Very high91.2Very high105 Ų10561 Ų6173%0.73434%0.339SS*.G310 helixtrans-68.8-17.4179.952.30000113.5C63 A67C63-S65 PolarHBondContact O-N 3.47Å; C63-S65 VanDerWaalsContact O-N 3.17Å; C63-S65 PolarHBondContact SG-OG 3.24Å; S65-A67 VanDerWaalsContact C-N 3.31Å
66E90.9Very high91.6Very high80 Ų8054 Ų5437%0.37431%0.311SS..G310 helixtrans-87.7-2.1177-63.9171.8172.400112.4T61 N62 C63 P64 E68 G69 F70T61-E66 WeakPolarHBondContact CA-OE2 3.45Å; T61-E66 HydrophobicContact CG2-CB 3.69Å; N62-E66 PolarHBondContact N-OE2 2.8Å; C63-E66 PolarHBondContact O-N 3.35Å; P64-E66 PolarHBondContact O-N 3.19Å; E66-E68 VanDerWaalsContact C-N 3.32Å; E66-E68 PolarHBondContact O-N 3.18Å; E66-G69 PolarHBondContact O-N 3.25Å; E66-F70 PolarHBondContact O-N 3.28Å
67A91.3Very high91.9Very high12 Ų1250.1 Ų50.110%0.09929%0.292CS..Hα-helixtrans-56.2-43.7-175.300000112.2A32 P64 S65 G69 F70 Q71A32-A67 HydrophobicContact CB-CB 4.1Å; A32-A67 WeakPolarHBondContact O-CB 3.44Å; P64-A67 WeakPolarHBondContact O-CB 3.2Å; P64-A67 PolarHBondContact O-N 2.87Å; S65-A67 VanDerWaalsContact C-N 3.31Å; A67-G69 VanDerWaalsContact C-N 3.32Å; A67-G69 PolarHBondContact O-N 3.1Å; A67-F70 WeakPolarHBondContact O-CB 3.32Å; A67-F70 PolarHBondContact O-N 3.07Å; A67-Q71 VanDerWaalsContact O-CG 3.28Å; A67-Q71 WeakPolarHBondContact O-CG 3.36Å; A67-Q71 PolarHBondContact O-N 3.13Å
68E91.9Very high92.5Very high128 Ų12846.7 Ų46.760%0.59827%0.274SS*.Hα-helixtrans-61.3-39.6-179.1-64.1-171.6164.800112.8E66 Q71 L72 T94E66-E68 VanDerWaalsContact C-N 3.32Å; E66-E68 PolarHBondContact O-N 3.18Å; E68-Q71 PolarHBondContact O-N 3.45Å; E68-L72 WeakPolarHBondContact O-CG 3.38Å; E68-L72 PolarHBondContact O-N 3.47Å; E68-L72 VanDerWaalsContact O-N 3.12Å; E68-T94 HydrophobicContact CB-CG2 4.32Å; E68-T94 HydrophobicContact CG-CG2 3.96Å
69G91.6Very high92.6Very high36 Ų3650 Ų5037%0.37130%0.298SS..Hα-helixtrans-62.4-46.6175.700000111.7E66 A67 Q71 L72 E73E66-G69 PolarHBondContact O-N 3.25Å; A67-G69 VanDerWaalsContact C-N 3.32Å; A67-G69 PolarHBondContact O-N 3.1Å; G69-Q71 VanDerWaalsContact C-N 3.33Å; G69-Q71 PolarHBondContact O-N 3.29Å; G69-L72 WeakPolarHBondContact O-CB 3.42Å; G69-L72 PolarHBondContact O-N 3.44Å; G69-E73 WeakPolarHBondContact O-CG 3.29Å; G69-E73 PolarHBondContact O-N 3Å
70F94.6Very high92.7Very high3 Ų348 Ų481%0.01329%0.289CS..Hα-helixtrans-58.3-43174.7170-93.1000112.4A32 F37 T38 C41 V58 H59 T61 E66 A67 L72 E73 M74A32-F70 HydrophobicContact CB-CD1 4.03Å; A32-F70 HydrophobicContact CB-CE1 4.43Å; F37-F70 HydrophobicContact CE1-CE1 4.11Å; F37-F70 HydrophobicContact CE1-CZ 4.31Å; T38-F70 HydrophobicContact CG2-CB 4.49Å; T38-F70 HydrophobicContact CG2-CD1 3.78Å; T38-F70 HydrophobicContact CG2-CD2 3.72Å; T38-F70 HydrophobicContact CG2-CE1 3.85Å; T38-F70 HydrophobicContact CG2-CE2 3.76Å; T38-F70 HydrophobicContact CG2-CG 3.72Å; T38-F70 HydrophobicContact CG2-CZ 3.83Å; C41-F70 HydrophobicContact CB-CE2 4.09Å; C41-F70 HydrophobicContact CB-CZ 3.93Å; V58-F70 HydrophobicContact CG1-CD2 3.55Å; V58-F70 HydrophobicContact CG1-CE2 3.37Å; V58-F70 HydrophobicContact CG1-CZ 4.36Å; H59-F70 WeakPolarHBondContact O-CD2 3.21Å; T61-F70 HydrophobicContact CG2-CB 3.73Å; T61-F70 HydrophobicContact CG2-CG 4.41Å; E66-F70 PolarHBondContact O-N 3.28Å; A67-F70 WeakPolarHBondContact O-CB 3.32Å; A67-F70 PolarHBondContact O-N 3.07Å; F70-L72 VanDerWaalsContact C-N 3.3Å; F70-L72 PolarHBondContact O-N 2.75Å; F70-E73 PolarHBondContact O-N 2.76Å; F70-M74 HydrophobicContact CE1-CE 4.35Å; F70-M74 HydrophobicContact CE2-CE 3.89Å; F70-M74 HydrophobicContact CZ-CE 3.52Å; F70-M74 VanDerWaalsContact O-CB 3.26Å; F70-M74 WeakPolarHBondContact O-CB 3.47Å; F70-M74 PolarHBondContact O-N 2.85Å
71Q93.9Very high92.8Very high6 Ų647.3 Ų47.33%0.02828%0.28CS..Hα-helixtrans-66.6-32.8-179.6-58.2-16362.900112.3A32 A67 E68 G69 S75 I93 T94 F97A32-Q71 HydrophobicContact CB-CG 3.67Å; A67-Q71 VanDerWaalsContact O-CG 3.28Å; A67-Q71 WeakPolarHBondContact O-CG 3.36Å; A67-Q71 PolarHBondContact O-N 3.13Å; E68-Q71 PolarHBondContact O-N 3.45Å; G69-Q71 VanDerWaalsContact C-N 3.33Å; G69-Q71 PolarHBondContact O-N 3.29Å; Q71-S75 WeakPolarHBondContact O-CB 3.33Å; Q71-S75 PolarHBondContact O-N 3.39Å; Q71-I93 HydrophobicContact CB-CG2 4.14Å; Q71-I93 WeakPolarHBondContact O-CG2 3.11Å; Q71-I93 PolarHBondContact OE1-O 2.81Å; Q71-T94 PolarHBondContact NE2-O 3.28Å; Q71-T94 PolarHBondContact OE1-O 2.92Å; Q71-F97 HydrophobicContact CB-CD2 4.12Å; Q71-F97 HydrophobicContact CB-CE2 4.35Å; Q71-F97 HydrophobicContact CG-CD2 3.81Å
72L93.4Very high92.8Very high101 Ų10150.9 Ų50.953%0.52931%0.309SS..Hα-helixtrans-66.8-51.3174.1-74.1165.5000111.5E68 G69 F70 M74 S75 G76 I93E68-L72 WeakPolarHBondContact O-CG 3.38Å; E68-L72 PolarHBondContact O-N 3.47Å; E68-L72 VanDerWaalsContact O-N 3.12Å; G69-L72 WeakPolarHBondContact O-CB 3.42Å; G69-L72 PolarHBondContact O-N 3.44Å; F70-L72 VanDerWaalsContact C-N 3.3Å; F70-L72 PolarHBondContact O-N 2.75Å; L72-M74 VanDerWaalsContact C-N 3.32Å; L72-M74 PolarHBondContact O-N 3.11Å; L72-S75 PolarHBondContact O-N 3.39Å; L72-S75 VanDerWaalsContact O-N 3.16Å; L72-G76 PolarHBondContact O-N 3.25Å; L72-G76 VanDerWaalsContact O-N 3.09Å; L72-I93 HydrophobicContact CD2-CD1 3.84Å; L72-I93 HydrophobicContact CD2-CG2 4.02Å; L72-I93 HydrophobicContact CG-CG2 4.35Å
73E94.8Very high93Very high56 Ų5645.5 Ų45.526%0.26228%0.282SS..Hα-helixtrans-57.8-46176.8-68.6179.3165.900111.1N57 V58 H59 G69 F70 S75 G76 L77N57-E73 WeakPolarHBondContact O-CB 3.37Å; V58-E73 WeakPolarHBondContact CA-OE2 3.38Å; V58-E73 HydrophobicContact CB-CB 4.47Å; V58-E73 HydrophobicContact CG2-CB 4.11Å; H59-E73 IonicContact CE1-OE1 2.69Å; H59-E73 IonicContact CG-OE1 3.23Å; H59-E73 IonicContact CG-OE2 2.61Å; H59-E73 PolarHBondContact N-OE2 3.39Å; H59-E73 IonicContact ND1-OE1 3.23Å; H59-E73 PolarHBondContact ND1-OE1 3.15Å; H59-E73 IonicContact ND1-OE2 2.77Å; H59-E73 PolarHBondContact ND1-OE2 2.93Å; G69-E73 WeakPolarHBondContact O-CG 3.29Å; G69-E73 PolarHBondContact O-N 3Å; F70-E73 PolarHBondContact O-N 2.76Å; E73-S75 VanDerWaalsContact C-N 3.32Å; E73-S75 PolarHBondContact O-N 2.9Å; E73-G76 PolarHBondContact O-N 3.49Å; E73-L77 PolarHBondContact O-N 2.88Å
74M95.4Very high93.2Very high0 Ų048 Ų480%030%0.297CS..Hα-helixtrans-62.9-37.9177.7-173.960.172.800112C41 I45 V58 F70 L72 G76 L77 L78 F97 L106 L110C41-M74 HydrophobicContact CB-CE 3.76Å; I45-M74 HydrophobicContact CD1-CE 3.82Å; I45-M74 HydrophobicContact CD1-SD 4.39Å; V58-M74 HydrophobicContact CG1-CE 3.91Å; V58-M74 HydrophobicContact CG2-CE 4.34Å; V58-M74 HydrophobicContact CG2-SD 4.48Å; F70-M74 HydrophobicContact CE1-CE 4.35Å; F70-M74 HydrophobicContact CE2-CE 3.89Å; F70-M74 HydrophobicContact CZ-CE 3.52Å; F70-M74 VanDerWaalsContact O-CB 3.26Å; F70-M74 WeakPolarHBondContact O-CB 3.47Å; F70-M74 PolarHBondContact O-N 2.85Å; L72-M74 VanDerWaalsContact C-N 3.32Å; L72-M74 PolarHBondContact O-N 3.11Å; M74-G76 VanDerWaalsContact C-N 3.33Å; M74-G76 PolarHBondContact O-N 3.5Å; M74-L77 PolarHBondContact O-N 3.44Å; M74-L77 HydrophobicContact SD-CD2 4.25Å; M74-L78 HydrophobicContact CG-CD1 4.17Å; M74-L78 HydrophobicContact CG-CG 4.27Å; M74-L78 WeakPolarHBondContact O-CB 3.35Å; M74-L78 VanDerWaalsContact O-CG 3.26Å; M74-L78 WeakPolarHBondContact O-CG 3.47Å; M74-L78 PolarHBondContact O-N 2.87Å; M74-L78 HydrophobicContact SD-CG 4.26Å; M74-F97 HydrophobicContact CB-CE2 3.8Å; M74-F97 HydrophobicContact CB-CZ 4.19Å; M74-F97 HydrophobicContact CG-CD2 4.49Å; M74-F97 HydrophobicContact CG-CE1 4.34Å; M74-F97 HydrophobicContact CG-CE2 3.57Å; M74-F97 HydrophobicContact CG-CZ 3.47Å; M74-F97 VanDerWaalsContact CG-CZ 3.47Å; M74-L106 HydrophobicContact CE-CD2 4.11Å; M74-L106 HydrophobicContact CG-CD1 4.33Å; M74-L106 HydrophobicContact CG-CD2 4.22Å; M74-L106 HydrophobicContact SD-CD1 3.99Å; M74-L106 HydrophobicContact SD-CD2 4.29Å; M74-L110 HydrophobicContact CE-CD1 4.28Å; M74-L110 HydrophobicContact SD-CD1 4.48Å
75S94.1Very high93.4Very high16 Ų1648.3 Ų48.311%0.11229%0.288CS..Hα-helixtrans-65.9-35.9176.7-174.20000112.5Q71 L72 E73 S79 R96Q71-S75 WeakPolarHBondContact O-CB 3.33Å; Q71-S75 PolarHBondContact O-N 3.39Å; L72-S75 PolarHBondContact O-N 3.39Å; L72-S75 VanDerWaalsContact O-N 3.16Å; E73-S75 VanDerWaalsContact C-N 3.32Å; E73-S75 PolarHBondContact O-N 2.9Å; S75-S79 PolarHBondContact O-N 3.08Å; S75-S79 PolarHBondContact O-OG 3.17Å; S75-R96 PolarHBondContact OG-NH1 2.83Å
76G93.3Very high93.4Very high19 Ų1946.7 Ų46.720%0.19628%0.277CS..Hα-helixtrans-61.3-53.117200000110.4L72 E73 M74 L78 S79 E80L72-G76 PolarHBondContact O-N 3.25Å; L72-G76 VanDerWaalsContact O-N 3.09Å; E73-G76 PolarHBondContact O-N 3.49Å; M74-G76 VanDerWaalsContact C-N 3.33Å; M74-G76 PolarHBondContact O-N 3.5Å; G76-L78 PolarHBondContact O-N 3.44Å; G76-S79 WeakPolarHBondContact O-CB 3.32Å; G76-S79 PolarHBondContact O-N 2.96Å; G76-E80 PolarHBondContact O-N 2.85Å
77L95.4Very high93.5Very high0 Ų046.4 Ų46.40%028%0.281CS..Hα-helixtrans-59.7-43.4-179.3-176.974.3000113I45 L54 E56 V58 E73 M74 S79 E80 L81I45-L77 HydrophobicContact CB-CD2 4.43Å; I45-L77 HydrophobicContact CD1-CD2 3.27Å; I45-L77 HydrophobicContact CG1-CD2 3.53Å; I45-L77 HydrophobicContact CG2-CD2 4.03Å; L54-L77 HydrophobicContact CB-CD1 4.49Å; L54-L77 HydrophobicContact CD1-CD1 3.95Å; L54-L77 HydrophobicContact CD2-CD1 4.15Å; L54-L77 HydrophobicContact CG-CD1 4.42Å; E56-L77 HydrophobicContact CB-CB 4.06Å; E56-L77 HydrophobicContact CB-CD1 4.24Å; V58-L77 HydrophobicContact CG2-CB 4.02Å; V58-L77 HydrophobicContact CG2-CD2 3.84Å; E73-L77 PolarHBondContact O-N 2.88Å; M74-L77 PolarHBondContact O-N 3.44Å; M74-L77 HydrophobicContact SD-CD2 4.25Å; L77-S79 PolarHBondContact O-N 2.95Å; L77-E80 WeakPolarHBondContact O-CB 3.36Å; L77-E80 PolarHBondContact O-N 3.4Å; L77-E80 VanDerWaalsContact O-N 3.15Å; L77-L81 HydrophobicContact CD1-CD1 4.28Å; L77-L81 HydrophobicContact CD1-CG 4.33Å; L77-L81 HydrophobicContact CD2-CD1 4.23Å; L77-L81 HydrophobicContact CG-CD1 3.93Å; L77-L81 HydrophobicContact CG-CG 4.3Å; L77-L81 WeakPolarHBondContact O-CB 3.39Å; L77-L81 WeakPolarHBondContact O-CG 3.47Å; L77-L81 PolarHBondContact O-N 3.18Å
78L95.2Very high93.5Very high1 Ų145.8 Ų45.81%0.00528%0.276CS..Hα-helixtrans-64.3-29.8178.2-71.4178.2000112.5M74 G76 A82 C83 L88 T89 F97 L106 F109M74-L78 HydrophobicContact CG-CD1 4.17Å; M74-L78 HydrophobicContact CG-CG 4.27Å; M74-L78 WeakPolarHBondContact O-CB 3.35Å; M74-L78 VanDerWaalsContact O-CG 3.26Å; M74-L78 WeakPolarHBondContact O-CG 3.47Å; M74-L78 PolarHBondContact O-N 2.87Å; M74-L78 HydrophobicContact SD-CG 4.26Å; G76-L78 PolarHBondContact O-N 3.44Å; L78-A82 PolarHBondContact O-N 3.23Å; L78-C83 HydrophobicContact CB-CB 4Å; L78-C83 HydrophobicContact CD2-CB 3.91Å; L78-C83 HydrophobicContact CG-CB 4.5Å; L78-C83 WeakPolarHBondContact O-CB 3.3Å; L78-C83 PolarHBondContact O-N 3.29Å; L78-L88 HydrophobicContact CD1-CB 3.9Å; L78-T89 HydrophobicContact CB-CG2 4.3Å; L78-F97 HydrophobicContact CD1-CE1 4.14Å; L78-F97 HydrophobicContact CD1-CZ 3.71Å; L78-L106 HydrophobicContact CD1-CD1 4Å; L78-L106 HydrophobicContact CD2-CD1 3.75Å; L78-L106 HydrophobicContact CG-CD1 4.3Å; L78-F109 HydrophobicContact CD2-CD1 3.78Å; L78-F109 HydrophobicContact CD2-CE1 3.67Å
79S93.1Very high93.5Very high81 Ų8141.8 Ų41.857%0.56626%0.26SS*.Hα-helixtrans-71.9-41.4173.3-550000110.8S75 G76 L77 A82S75-S79 PolarHBondContact O-N 3.08Å; S75-S79 PolarHBondContact O-OG 3.17Å; G76-S79 WeakPolarHBondContact O-CB 3.32Å; G76-S79 PolarHBondContact O-N 2.96Å; L77-S79 PolarHBondContact O-N 2.95Å; S79-A82 PolarHBondContact O-N 3.36Å
80E94.5Very high93.3Very high68 Ų6844.1 Ų44.132%0.31827%0.267SS..Hα-helixtrans-63.1-42.8176-174.9176.2-166.900112.4L54 E55 E56 G76 L77 A82L54-E80 VanDerWaalsContact CA-OE1 3.27Å; L54-E80 WeakPolarHBondContact CA-OE1 3.43Å; L54-E80 HydrophobicContact CD2-CG 4.35Å; E55-E80 PolarHBondContact N-OE1 2.93Å; E55-E80 PolarHBondContact N-OE2 3.32Å; E56-E80 PolarHBondContact N-OE2 3.45Å; G76-E80 PolarHBondContact O-N 2.85Å; L77-E80 WeakPolarHBondContact O-CB 3.36Å; L77-E80 PolarHBondContact O-N 3.4Å; L77-E80 VanDerWaalsContact O-N 3.15Å; E80-A82 PolarHBondContact O-N 3.4Å
81L93.4Very high93Very high24 Ų2446.9 Ų46.913%0.12630%0.297CS..THydrogen-bonded Turntrans-76.61.4176.1-66.8176.7000113.5L54 L77 C83 F109 L110L54-L81 HydrophobicContact CD2-CD2 3.77Å; L54-L81 HydrophobicContact CD2-CG 4.47Å; L77-L81 HydrophobicContact CD1-CD1 4.28Å; L77-L81 HydrophobicContact CD1-CG 4.33Å; L77-L81 HydrophobicContact CD2-CD1 4.23Å; L77-L81 HydrophobicContact CG-CD1 3.93Å; L77-L81 HydrophobicContact CG-CG 4.3Å; L77-L81 WeakPolarHBondContact O-CB 3.39Å; L77-L81 WeakPolarHBondContact O-CG 3.47Å; L77-L81 PolarHBondContact O-N 3.18Å; L81-C83 VanDerWaalsContact C-N 3.3Å; L81-C83 PolarHBondContact O-N 3.09Å; L81-F109 HydrophobicContact CB-CE1 4.18Å; L81-F109 HydrophobicContact CB-CZ 4.05Å; L81-F109 HydrophobicContact CD1-CE1 4.13Å; L81-L110 HydrophobicContact CD1-CD2 4.1Å
82A92.6Very high92.7Very high79 Ų7948.9 Ų48.965%0.65332%0.318SS*.THydrogen-bonded Turntrans51.246.3-176.900000113.2L78 S79 E80L78-A82 PolarHBondContact O-N 3.23Å; S79-A82 PolarHBondContact O-N 3.36Å; E80-A82 PolarHBondContact O-N 3.4Å
83C94.6Very high92.5Very high11 Ų1146.7 Ų46.77%0.07431%0.307CS..  trans-55.3123.1-177.2177.30000111.5L78 L81 Y85 T89 F109L78-C83 HydrophobicContact CB-CB 4Å; L78-C83 HydrophobicContact CD2-CB 3.91Å; L78-C83 HydrophobicContact CG-CB 4.5Å; L78-C83 WeakPolarHBondContact O-CB 3.3Å; L78-C83 PolarHBondContact O-N 3.29Å; L81-C83 VanDerWaalsContact C-N 3.3Å; L81-C83 PolarHBondContact O-N 3.09Å; C83-Y85 VanDerWaalsContact C-N 3.27Å; C83-Y85 PolarHBondContact O-N 3.47Å; C83-T89 HydrophobicContact CB-CG2 3.84Å; C83-F109 HydrophobicContact CB-CD1 4.44Å; C83-F109 HydrophobicContact CB-CE1 3.81Å; C83-F109 HydrophobicContact CB-CE2 4.35Å; C83-F109 HydrophobicContact CB-CZ 3.76Å
84P93.5Very high92.1Very high98 Ų9846.4 Ų46.464%0.63631%0.309SS*.  trans-78.7-11-173.832-36.2000113.2S86P84-S86 PolarHBondContact O-N 2.99Å
85Y93.4Very high91.7Very high90 Ų9052.1 Ų52.135%0.35334%0.336SS..  trans-86.2103.8-174.9-58.6-66.6000111.1C83 T87 L88 T89 L105 F109C83-Y85 VanDerWaalsContact C-N 3.27Å; C83-Y85 PolarHBondContact O-N 3.47Å; Y85-T87 PolarHBondContact O-N 3.34Å; Y85-T87 VanDerWaalsContact O-N 3.14Å; Y85-L88 HydrophobicContact CD2-CD1 4.38Å; Y85-L88 PolarHBondContact O-N 3.22Å; Y85-T89 PolarHBondContact O-N 3.27Å; Y85-T89 PolarHBondContact O-OG1 2.85Å; Y85-L105 HydrophobicContact CD1-CD1 4.12Å; Y85-L105 HydrophobicContact CD1-CD2 4.09Å; Y85-L105 HydrophobicContact CD1-CG 4.46Å; Y85-L105 HydrophobicContact CD2-CD1 4.26Å; Y85-L105 HydrophobicContact CD2-CG 4.27Å; Y85-L105 HydrophobicContact CE1-CD1 3.96Å; Y85-L105 HydrophobicContact CE2-CD1 4.1Å; Y85-L105 HydrophobicContact CG-CD1 4.26Å; Y85-L105 HydrophobicContact CG-CD2 3.96Å; Y85-L105 HydrophobicContact CG-CG 4.21Å; Y85-F109 HydrophobicContact CD2-CB 4.29Å; Y85-F109 HydrophobicContact CD2-CD2 4.26Å; Y85-F109 HydrophobicContact CD2-CG 4.41Å; Y85-F109 HydrophobicContact CE2-CB 4.04Å; Y85-F109 AromaticContact CE2-CD2 3.95Å; Y85-F109 HydrophobicContact CE2-CD2 3.95Å; Y85-F109 HydrophobicContact CE2-CG 4.31Å
86S91.6Very high91.4Very high72 Ų7252.5 Ų52.550%0.50334%0.335SS..Hα-helixtrans-56.2-32.4179.757.10000113.1P84 L88 T89 T90P84-S86 PolarHBondContact O-N 2.99Å; S86-L88 PolarHBondContact O-N 3.49Å; S86-T89 WeakPolarHBondContact CA-OG1 3.38Å; S86-T89 PolarHBondContact O-N 2.94Å; S86-T90 WeakPolarHBondContact O-CB 3.22Å; S86-T90 PolarHBondContact O-N 2.98Å; S86-T90 PolarHBondContact O-OG1 3.2Å
87T91.4Very high91.2Very high73 Ų7351.6 Ų51.645%0.44833%0.325SS..Hα-helixtrans-61.2-27.8177.4-45.30000112.7Y85 D102Y85-T87 PolarHBondContact O-N 3.34Å; Y85-T87 VanDerWaalsContact O-N 3.14Å; T87-D102 VanDerWaalsContact CG2-OD1 3.31Å; T87-D102 WeakPolarHBondContact CG2-OD1 3.48Å
88L91.8Very high90.7Very high0 Ų055 Ų550%034%0.343CS..Hα-helixtrans-94.7-18.2179.6-53-177.6000113.1L78 Y85 S86 R96 F97 D102 L105 L106L78-L88 HydrophobicContact CD1-CB 3.9Å; Y85-L88 HydrophobicContact CD2-CD1 4.38Å; Y85-L88 PolarHBondContact O-N 3.22Å; S86-L88 PolarHBondContact O-N 3.49Å; L88-R96 WeakPolarHBondContact O-CD 3.29Å; L88-R96 PolarHBondContact O-NH1 3.5Å; L88-F97 HydrophobicContact CB-CE1 4.47Å; L88-F97 HydrophobicContact CD2-CD1 4.41Å; L88-F97 HydrophobicContact CD2-CE1 4.06Å; L88-D102 HydrophobicContact CD2-CB 4.06Å; L88-L105 HydrophobicContact CD1-CD2 4.29Å; L88-L105 HydrophobicContact CD1-CG 4.11Å; L88-L105 HydrophobicContact CD2-CD2 4.48Å; L88-L105 HydrophobicContact CG-CD2 4.26Å; L88-L106 HydrophobicContact CD1-CB 4.18Å; L88-L106 HydrophobicContact CD1-CD1 4.27Å
89T91.8Very high90.3Very high44 Ų4459.4 Ų59.427%0.2737%0.367SS..Hα-helixtrans-112.6-18.1-173.156.60000114.4L78 C83 Y85 S86 R96L78-T89 HydrophobicContact CB-CG2 4.3Å; C83-T89 HydrophobicContact CB-CG2 3.84Å; Y85-T89 PolarHBondContact O-N 3.27Å; Y85-T89 PolarHBondContact O-OG1 2.85Å; S86-T89 WeakPolarHBondContact CA-OG1 3.38Å; S86-T89 PolarHBondContact O-N 2.94Å; T89-R96 PolarHBondContact O-NH1 3.15Å; T89-R96 PolarHBondContact O-NH2 3.38Å
90T87.1Confident90.3Very high85 Ų8559.8 Ų59.852%0.52136%0.356SS..SBendtrans-113.5164.8-177.469.50000112S86 R96S86-T90 WeakPolarHBondContact O-CB 3.22Å; S86-T90 PolarHBondContact O-N 2.98Å; S86-T90 PolarHBondContact O-OG1 3.2Å; T90-R96 PolarHBondContact O-NE 3.44Å
91G88.3Confident90.3Very high61 Ų6161 Ų6163%0.62937%0.368SS*.SBendtrans79.2-170.6-176.300000114.1I93 R96G91-I93 PolarHBondContact O-N 3.35Å; G91-R96 PolarHBondContact O-NE 3.26Å; G91-R96 PolarHBondContact O-NH2 2.76Å
92G88.8Confident90.2Very high47 Ų4761 Ų6149%0.48537%0.368SS..  trans-68124.9-177.300000112.2T94 Q95 R96G92-T94 VanDerWaalsContact C-N 3.29Å; G92-T94 PolarHBondContact O-N 2.97Å; G92-Q95 PolarHBondContact O-N 3.4Å; G92-R96 WeakPolarHBondContact O-CG 3.18Å
93I88.6Confident90.3Very high56 Ų5657.2 Ų57.229%0.28734%0.337SS..G310 helixtrans-55.1-42.2-172.4-63.6171.2000112.2Q71 L72 G91 Q95Q71-I93 HydrophobicContact CB-CG2 4.14Å; Q71-I93 WeakPolarHBondContact O-CG2 3.11Å; Q71-I93 PolarHBondContact OE1-O 2.81Å; L72-I93 HydrophobicContact CD2-CD1 3.84Å; L72-I93 HydrophobicContact CD2-CG2 4.02Å; L72-I93 HydrophobicContact CG-CG2 4.35Å; G91-I93 PolarHBondContact O-N 3.35Å; I93-Q95 PolarHBondContact O-N 3.26Å
94T87Confident90.4Very high50 Ų5056.9 Ų56.931%0.30733%0.334SS..G310 helixtrans-75-4.1-17756.80000114.6E68 Q71 G92E68-T94 HydrophobicContact CB-CG2 4.32Å; E68-T94 HydrophobicContact CG-CG2 3.96Å; Q71-T94 PolarHBondContact NE2-O 3.28Å; Q71-T94 PolarHBondContact OE1-O 2.92Å; G92-T94 VanDerWaalsContact C-N 3.29Å; G92-T94 PolarHBondContact O-N 2.97Å
95Q86.7Confident90.4Very high120 Ų12053.7 Ų53.756%0.56131%0.311SS*.G310 helixtrans-106.6-4.9-175.9-58-59.5-52.600113.1G92 I93 L98G92-Q95 PolarHBondContact O-N 3.4Å; I93-Q95 PolarHBondContact O-N 3.26Å; Q95-L98 VanDerWaalsContact OE1-CD1 3.31Å
96R86.6Confident90.6Very high23 Ų2349.4 Ų49.49%0.08730%0.295CS..THydrogen-bonded Turntrans-81.6-25-167.6-55.2-169.8-170149.81.4113.8S75 L88 T89 T90 G91 G92 D102S75-R96 PolarHBondContact OG-NH1 2.83Å; L88-R96 WeakPolarHBondContact O-CD 3.29Å; L88-R96 PolarHBondContact O-NH1 3.5Å; T89-R96 PolarHBondContact O-NH1 3.15Å; T89-R96 PolarHBondContact O-NH2 3.38Å; T90-R96 PolarHBondContact O-NE 3.44Å; G91-R96 PolarHBondContact O-NE 3.26Å; G91-R96 PolarHBondContact O-NH2 2.76Å; G92-R96 WeakPolarHBondContact O-CG 3.18Å; R96-D102 WeakPolarHBondContact O-CB 3.43Å
97F89.6Confident90.8Very high0 Ų046 Ų460%027%0.271CS..THydrogen-bonded Turntrans-120.842.7-176.1-46.6-57.8000111.9G31 A32 Q71 M74 L78 L88 L106G31-F97 WeakPolarHBondContact CA-O 3.38Å; A32-F97 HydrophobicContact CB-CB 4.22Å; A32-F97 PolarHBondContact N-O 3.25Å; Q71-F97 HydrophobicContact CB-CD2 4.12Å; Q71-F97 HydrophobicContact CB-CE2 4.35Å; Q71-F97 HydrophobicContact CG-CD2 3.81Å; M74-F97 HydrophobicContact CB-CE2 3.8Å; M74-F97 HydrophobicContact CB-CZ 4.19Å; M74-F97 HydrophobicContact CG-CD2 4.49Å; M74-F97 HydrophobicContact CG-CE1 4.34Å; M74-F97 HydrophobicContact CG-CE2 3.57Å; M74-F97 HydrophobicContact CG-CZ 3.47Å; M74-F97 VanDerWaalsContact CG-CZ 3.47Å; L78-F97 HydrophobicContact CD1-CE1 4.14Å; L78-F97 HydrophobicContact CD1-CZ 3.71Å; L88-F97 HydrophobicContact CB-CE1 4.47Å; L88-F97 HydrophobicContact CD2-CD1 4.41Å; L88-F97 HydrophobicContact CD2-CE1 4.06Å; F97-L106 HydrophobicContact CD1-CD2 3.77Å; F97-L106 HydrophobicContact CE1-CB 4.45Å; F97-L106 HydrophobicContact CE1-CD1 4.09Å; F97-L106 HydrophobicContact CE1-CD2 3.72Å; F97-L106 HydrophobicContact CE1-CG 4.31Å; F97-L106 HydrophobicContact CG-CD2 4.39Å; F97-L106 HydrophobicContact CZ-CD2 4.32Å
98L84.3Confident91Very high73 Ų7344.6 Ų44.638%0.38226%0.262SS..SBendtrans-105.7-25177.8-60.4-177.7000112.8Q95Q95-L98 VanDerWaalsContact OE1-CD1 3.31Å
99N88.1Confident91.3Very high92 Ų9244.8 Ų44.849%0.49226%0.263SS..SBendtrans-95.5142.6-179.4-56.2-45.1000110.9T101 D102 C103N99-T101 VanDerWaalsContact C-N 3.28Å; N99-T101 PolarHBondContact O-N 3.48Å; N99-D102 HydrophobicContact CB-CB 4.44Å; N99-D102 WeakPolarHBondContact CB-OD2 3.49Å; N99-D102 PolarHBondContact ND2-OD2 3.22Å; N99-D102 PolarHBondContact O-N 3.1Å; N99-C103 PolarHBondContact O-N 3.36Å; N99-C103 PolarHBondContact O-SG 3.08Å
100R93.6Very high91.5Very high90 Ų9042.7 Ų42.734%0.3425%0.25SS..Hα-helixtrans-50-47.1174.7-177.7-174.5-175.2-83.3-4.4112.7E2 D25 V28 D102 C103 L104E2-R100 IonicContact OE2-NH2 3.78Å; E2-R100 PolarHBondContact OE2-NH2 3.24Å; D25-R100 IonicContact OD1-CZ 2.69Å; D25-R100 IonicContact OD1-NE 3.24Å; D25-R100 PolarHBondContact OD1-NE 3.01Å; D25-R100 IonicContact OD1-NH2 3.87Å; D25-R100 PolarHBondContact OD1-NH2 2.86Å; V28-R100 HydrophobicContact CG2-CG 3.86Å; R100-D102 PolarHBondContact O-N 3.44Å; R100-C103 PolarHBondContact O-N 3.03Å; R100-L104 HydrophobicContact CG-CD1 4.08Å; R100-L104 VanDerWaalsContact NH1-CD1 3.31Å; R100-L104 WeakPolarHBondContact O-CG 3.21Å; R100-L104 PolarHBondContact O-N 2.76Å
101T92.6Very high91.9Very high93 Ų9338.9 Ų38.957%0.57123%0.227SC*.Hα-helixtrans-63.7-42.7-176.7-48.90000112N99 L104 L105N99-T101 VanDerWaalsContact C-N 3.28Å; N99-T101 PolarHBondContact O-N 3.48Å; T101-L104 PolarHBondContact O-N 3.11Å; T101-L105 WeakPolarHBondContact O-CB 3.47Å; T101-L105 PolarHBondContact O-N 3.33Å
102D92.8Very high92.3Very high23 Ų2338.1 Ų38.112%0.12321%0.212CC..Hα-helixtrans-71.7-35.7-178.9-57.7-30.8000110.8T87 L88 R96 N99 R100 L105 L106T87-D102 VanDerWaalsContact CG2-OD1 3.31Å; T87-D102 WeakPolarHBondContact CG2-OD1 3.48Å; L88-D102 HydrophobicContact CD2-CB 4.06Å; R96-D102 WeakPolarHBondContact O-CB 3.43Å; N99-D102 HydrophobicContact CB-CB 4.44Å; N99-D102 WeakPolarHBondContact CB-OD2 3.49Å; N99-D102 PolarHBondContact ND2-OD2 3.22Å; N99-D102 PolarHBondContact O-N 3.1Å; R100-D102 PolarHBondContact O-N 3.44Å; D102-L105 PolarHBondContact O-N 2.77Å; D102-L106 WeakPolarHBondContact O-CB 3.31Å; D102-L106 PolarHBondContact O-N 3.27Å
103C95.1Very high92.6Very high0 Ų038.6 Ų38.60%020%0.202CC..Hα-helixtrans-65.7-42.8174-65.40000112.3V28 G31 F37 N99 R100 L106 I107V28-C103 HydrophobicContact CB-CB 3.92Å; V28-C103 HydrophobicContact CG1-CB 4.15Å; G31-C103 VanDerWaalsContact CA-SG 3.55Å; F37-C103 HydrophobicContact CD2-CB 4.46Å; F37-C103 HydrophobicContact CE2-CB 3.62Å; F37-C103 HydrophobicContact CZ-CB 3.76Å; N99-C103 PolarHBondContact O-N 3.36Å; N99-C103 PolarHBondContact O-SG 3.08Å; R100-C103 PolarHBondContact O-N 3.03Å; C103-L106 PolarHBondContact O-N 3.06Å; C103-I107 WeakPolarHBondContact O-CG1 3.49Å; C103-I107 PolarHBondContact O-N 3.24Å
104L95.3Very high92.9Very high4 Ų436 Ų362%0.02119%0.188CC..Hα-helixtrans-67.2-37.6174.6-71.1170.4000111.9M1 I5 V28 R100 T101 L106 I107 T108M1-L104 HydrophobicContact CG-CB 4.23Å; M1-L104 HydrophobicContact SD-CB 3.57Å; M1-L104 VanDerWaalsContact SD-CB 3.57Å; M1-L104 HydrophobicContact SD-CD1 4.46Å; I5-L104 HydrophobicContact CD1-CB 4.32Å; I5-L104 HydrophobicContact CD1-CD2 3.7Å; V28-L104 HydrophobicContact CB-CD2 4.46Å; V28-L104 HydrophobicContact CB-CG 4.41Å; V28-L104 HydrophobicContact CG1-CD2 3.99Å; V28-L104 HydrophobicContact CG1-CG 4.34Å; V28-L104 HydrophobicContact CG2-CD2 4.1Å; V28-L104 HydrophobicContact CG2-CG 4.14Å; R100-L104 HydrophobicContact CG-CD1 4.08Å; R100-L104 VanDerWaalsContact NH1-CD1 3.31Å; R100-L104 WeakPolarHBondContact O-CG 3.21Å; R100-L104 PolarHBondContact O-N 2.76Å; T101-L104 PolarHBondContact O-N 3.11Å; L104-L106 VanDerWaalsContact C-N 3.35Å; L104-I107 PolarHBondContact O-N 2.96Å; L104-T108 WeakPolarHBondContact O-CB 3.38Å; L104-T108 PolarHBondContact O-N 2.8Å; L104-T108 PolarHBondContact O-OG1 3.44Å
105L95.1Very high93.3Very high31 Ų3136.4 Ų36.416%0.16219%0.187CC..Hα-helixtrans-63.4-41.8175-17663.2000111.4Y85 L88 T101 D102 T108 F109Y85-L105 HydrophobicContact CD1-CD1 4.12Å; Y85-L105 HydrophobicContact CD1-CD2 4.09Å; Y85-L105 HydrophobicContact CD1-CG 4.46Å; Y85-L105 HydrophobicContact CD2-CD1 4.26Å; Y85-L105 HydrophobicContact CD2-CG 4.27Å; Y85-L105 HydrophobicContact CE1-CD1 3.96Å; Y85-L105 HydrophobicContact CE2-CD1 4.1Å; Y85-L105 HydrophobicContact CG-CD1 4.26Å; Y85-L105 HydrophobicContact CG-CD2 3.96Å; Y85-L105 HydrophobicContact CG-CG 4.21Å; L88-L105 HydrophobicContact CD1-CD2 4.29Å; L88-L105 HydrophobicContact CD1-CG 4.11Å; L88-L105 HydrophobicContact CD2-CD2 4.48Å; L88-L105 HydrophobicContact CG-CD2 4.26Å; T101-L105 WeakPolarHBondContact O-CB 3.47Å; T101-L105 PolarHBondContact O-N 3.33Å; D102-L105 PolarHBondContact O-N 2.77Å; L105-T108 PolarHBondContact O-N 3.43Å; L105-F109 WeakPolarHBondContact O-CB 3.46Å; L105-F109 PolarHBondContact O-N 3.41Å
106L96.2Very high93.6Very high0 Ų032.5 Ų32.50%018%0.175CC..Hα-helixtrans-59.2-51.1174.4177.666.2000111.5F37 M74 L78 L88 F97 D102 C103 L104 T108 F109 L110F37-L106 HydrophobicContact CZ-CD2 3.91Å; M74-L106 HydrophobicContact CE-CD2 4.11Å; M74-L106 HydrophobicContact CG-CD1 4.33Å; M74-L106 HydrophobicContact CG-CD2 4.22Å; M74-L106 HydrophobicContact SD-CD1 3.99Å; M74-L106 HydrophobicContact SD-CD2 4.29Å; L78-L106 HydrophobicContact CD1-CD1 4Å; L78-L106 HydrophobicContact CD2-CD1 3.75Å; L78-L106 HydrophobicContact CG-CD1 4.3Å; L88-L106 HydrophobicContact CD1-CB 4.18Å; L88-L106 HydrophobicContact CD1-CD1 4.27Å; F97-L106 HydrophobicContact CD1-CD2 3.77Å; F97-L106 HydrophobicContact CE1-CB 4.45Å; F97-L106 HydrophobicContact CE1-CD1 4.09Å; F97-L106 HydrophobicContact CE1-CD2 3.72Å; F97-L106 HydrophobicContact CE1-CG 4.31Å; F97-L106 HydrophobicContact CG-CD2 4.39Å; F97-L106 HydrophobicContact CZ-CD2 4.32Å; D102-L106 WeakPolarHBondContact O-CB 3.31Å; D102-L106 PolarHBondContact O-N 3.27Å; C103-L106 PolarHBondContact O-N 3.06Å; L104-L106 VanDerWaalsContact C-N 3.35Å; L106-T108 VanDerWaalsContact C-N 3.32Å; L106-T108 PolarHBondContact O-N 2.91Å; L106-F109 PolarHBondContact O-N 2.74Å; L106-L110 HydrophobicContact CD1-CD1 4.13Å; L106-L110 HydrophobicContact CD1-CG 4.26Å; L106-L110 HydrophobicContact CG-CD1 4.08Å; L106-L110 WeakPolarHBondContact O-CG 3.41Å; L106-L110 PolarHBondContact O-N 2.98Å
107I96.1Very high93.8Very high0 Ų031.8 Ų31.80%017%0.173CC..Hα-helixtrans-61.2-44.5179.6-65.7166.5000110.2I5 L24 V28 F37 L40 I44 C103 L104 F109 L110 V111I5-I107 HydrophobicContact CD1-CB 4.36Å; I5-I107 HydrophobicContact CD1-CG2 4.24Å; I5-I107 HydrophobicContact CG1-CG2 4.33Å; I5-I107 HydrophobicContact CG2-CG2 3.52Å; L24-I107 HydrophobicContact CD1-CD1 4.04Å; V28-I107 HydrophobicContact CG1-CD1 3.75Å; F37-I107 HydrophobicContact CD2-CD1 3.94Å; F37-I107 HydrophobicContact CE2-CD1 3.68Å; F37-I107 HydrophobicContact CE2-CG1 3.94Å; L40-I107 HydrophobicContact CD2-CD1 3.86Å; L40-I107 HydrophobicContact CD2-CG1 4.32Å; L40-I107 HydrophobicContact CD2-CG2 4.34Å; I44-I107 HydrophobicContact CD1-CG2 4.26Å; C103-I107 WeakPolarHBondContact O-CG1 3.49Å; C103-I107 PolarHBondContact O-N 3.24Å; L104-I107 PolarHBondContact O-N 2.96Å; I107-F109 VanDerWaalsContact C-N 3.32Å; I107-F109 PolarHBondContact O-N 3.47Å; I107-L110 PolarHBondContact O-N 3.39Å; I107-V111 HydrophobicContact CG2-CG2 3.98Å; I107-V111 VanDerWaalsContact O-CB 3.31Å; I107-V111 WeakPolarHBondContact O-CB 3.47Å; I107-V111 VanDerWaalsContact O-CG2 3.28Å; I107-V111 WeakPolarHBondContact O-CG2 3.05Å; I107-V111 PolarHBondContact O-N 2.85Å
108T95.8Very high93.9Very high44 Ų4434.6 Ų34.627%0.2718%0.184SC..Hα-helixtrans-57-46.4177.6-55.60000111.1I5 L104 L105 L106 S112I5-T108 WeakPolarHBondContact CD1-OG1 3.42Å; L104-T108 WeakPolarHBondContact O-CB 3.38Å; L104-T108 PolarHBondContact O-N 2.8Å; L104-T108 PolarHBondContact O-OG1 3.44Å; L105-T108 PolarHBondContact O-N 3.43Å; L106-T108 VanDerWaalsContact C-N 3.32Å; L106-T108 PolarHBondContact O-N 2.91Å; T108-S112 VanDerWaalsContact O-CB 3.31Å; T108-S112 WeakPolarHBondContact O-CB 3.33Å; T108-S112 PolarHBondContact O-N 2.81Å; T108-S112 PolarHBondContact O-OG 3.24Å
109F97Very high94.1Very high4 Ų436.6 Ų36.62%0.01819%0.193CC..Hα-helixtrans-59.6-53176.9173-108.4000111.5L78 L81 C83 Y85 L105 L106 I107 V111 S112 E113L78-F109 HydrophobicContact CD2-CD1 3.78Å; L78-F109 HydrophobicContact CD2-CE1 3.67Å; L81-F109 HydrophobicContact CB-CE1 4.18Å; L81-F109 HydrophobicContact CB-CZ 4.05Å; L81-F109 HydrophobicContact CD1-CE1 4.13Å; C83-F109 HydrophobicContact CB-CD1 4.44Å; C83-F109 HydrophobicContact CB-CE1 3.81Å; C83-F109 HydrophobicContact CB-CE2 4.35Å; C83-F109 HydrophobicContact CB-CZ 3.76Å; Y85-F109 HydrophobicContact CD2-CB 4.29Å; Y85-F109 HydrophobicContact CD2-CD2 4.26Å; Y85-F109 HydrophobicContact CD2-CG 4.41Å; Y85-F109 HydrophobicContact CE2-CB 4.04Å; Y85-F109 AromaticContact CE2-CD2 3.95Å; Y85-F109 HydrophobicContact CE2-CD2 3.95Å; Y85-F109 HydrophobicContact CE2-CG 4.31Å; L105-F109 WeakPolarHBondContact O-CB 3.46Å; L105-F109 PolarHBondContact O-N 3.41Å; L106-F109 PolarHBondContact O-N 2.74Å; I107-F109 VanDerWaalsContact C-N 3.32Å; I107-F109 PolarHBondContact O-N 3.47Å; F109-V111 PolarHBondContact O-N 3.41Å; F109-S112 PolarHBondContact O-N 3.49Å; F109-S112 PolarHBondContact O-OG 2.98Å; F109-E113 HydrophobicContact CD2-CG 4.25Å; F109-E113 HydrophobicContact CE1-CG 4.25Å; F109-E113 HydrophobicContact CE2-CG 3.75Å; F109-E113 HydrophobicContact CZ-CG 3.76Å; F109-E113 WeakPolarHBondContact O-CG 3.5Å; F109-E113 PolarHBondContact O-N 2.86Å
110L96.6Very high93.9Very high0 Ų037 Ų370%019%0.194CC..Hα-helixtrans-62.3-41.2-178-65.7176000112.6C41 I44 L48 M74 L81 L106 I107 E113 L114C41-L110 HydrophobicContact CB-CD1 4.42Å; I44-L110 HydrophobicContact CB-CB 4.44Å; I44-L110 HydrophobicContact CD1-CB 4.28Å; I44-L110 HydrophobicContact CG2-CB 3.75Å; L48-L110 HydrophobicContact CD1-CD2 4.46Å; M74-L110 HydrophobicContact CE-CD1 4.28Å; M74-L110 HydrophobicContact SD-CD1 4.48Å; L81-L110 HydrophobicContact CD1-CD2 4.1Å; L106-L110 HydrophobicContact CD1-CD1 4.13Å; L106-L110 HydrophobicContact CD1-CG 4.26Å; L106-L110 HydrophobicContact CG-CD1 4.08Å; L106-L110 WeakPolarHBondContact O-CG 3.41Å; L106-L110 PolarHBondContact O-N 2.98Å; I107-L110 PolarHBondContact O-N 3.39Å; L110-E113 PolarHBondContact O-N 3.27Å; L110-L114 PolarHBondContact O-N 2.91Å; L110-L114 VanDerWaalsContact O-N 3.09Å
111V96.7Very high93.4Very high5 Ų536.3 Ų36.33%0.0320%0.197CC..Hα-helixtrans-61-47.6174.1163.70000110.5S8 L9 L12 I44 I107 F109 E113 L114 E115S8-V111 VanDerWaalsContact CB-CG1 3.46Å; L9-V111 HydrophobicContact CD2-CG2 3.97Å; L12-V111 HydrophobicContact CD1-CB 4.44Å; L12-V111 HydrophobicContact CD1-CG1 3.86Å; L12-V111 HydrophobicContact CD1-CG2 4.38Å; I44-V111 HydrophobicContact CD1-CG2 3.91Å; I107-V111 HydrophobicContact CG2-CG2 3.98Å; I107-V111 VanDerWaalsContact O-CB 3.31Å; I107-V111 WeakPolarHBondContact O-CB 3.47Å; I107-V111 VanDerWaalsContact O-CG2 3.28Å; I107-V111 WeakPolarHBondContact O-CG2 3.05Å; I107-V111 PolarHBondContact O-N 2.85Å; F109-V111 PolarHBondContact O-N 3.41Å; V111-E113 VanDerWaalsContact C-N 3.34Å; V111-E113 PolarHBondContact O-N 3.39Å; V111-L114 PolarHBondContact O-N 3.29Å; V111-L114 VanDerWaalsContact O-N 3.11Å; V111-E115 HydrophobicContact CG1-CG 4.41Å; V111-E115 WeakPolarHBondContact O-CG 3.42Å; V111-E115 PolarHBondContact O-N 2.76Å
112S95.8Very high93Very high45 Ų4538.4 Ų38.432%0.31520%0.203SC..Hα-helixtrans-63.7-37.7-179.671.10000112.8T108 F109 L114 A116T108-S112 VanDerWaalsContact O-CB 3.31Å; T108-S112 WeakPolarHBondContact O-CB 3.33Å; T108-S112 PolarHBondContact O-N 2.81Å; T108-S112 PolarHBondContact O-OG 3.24Å; F109-S112 PolarHBondContact O-N 3.49Å; F109-S112 PolarHBondContact O-OG 2.98Å; S112-L114 VanDerWaalsContact C-N 3.33Å; S112-L114 PolarHBondContact O-N 2.9Å; S112-A116 WeakPolarHBondContact O-CB 2.99Å; S112-A116 PolarHBondContact O-N 3.12Å
113E95.7Very high92.3Very high58 Ų5843 Ų4327%0.27123%0.228SC..Hα-helixtrans-65.1-38174-73.5-58.2135.500111.4L48 F109 L110 V111 S117L48-E113 HydrophobicContact CD1-CB 4.44Å; L48-E113 HydrophobicContact CD2-CB 4.07Å; F109-E113 HydrophobicContact CD2-CG 4.25Å; F109-E113 HydrophobicContact CE1-CG 4.25Å; F109-E113 HydrophobicContact CE2-CG 3.75Å; F109-E113 HydrophobicContact CZ-CG 3.76Å; F109-E113 WeakPolarHBondContact O-CG 3.5Å; F109-E113 PolarHBondContact O-N 2.86Å; L110-E113 PolarHBondContact O-N 3.27Å; V111-E113 VanDerWaalsContact C-N 3.34Å; V111-E113 PolarHBondContact O-N 3.39Å; E113-S117 WeakPolarHBondContact O-CB 3.15Å; E113-S117 PolarHBondContact O-N 2.73Å; E113-S117 PolarHBondContact O-OG 3.5Å
114L94.7Very high91.3Very high0 Ų052.4 Ų52.40%026%0.263CS..Hα-helixtrans-70.2-44.6178.4-179.856000111.8L12 I44 E47 L48 Y51 L110 V111 S112 S117 R118L12-L114 HydrophobicContact CD1-CD2 4.02Å; L12-L114 HydrophobicContact CD1-CG 4.41Å; L12-L114 HydrophobicContact CD2-CD2 4.1Å; L12-L114 HydrophobicContact CD2-CG 3.96Å; I44-L114 HydrophobicContact CG2-CB 4.32Å; I44-L114 HydrophobicContact CG2-CD2 4.09Å; E47-L114 HydrophobicContact CB-CD1 3.84Å; E47-L114 HydrophobicContact CB-CD2 3.57Å; E47-L114 HydrophobicContact CB-CG 4.4Å; E47-L114 HydrophobicContact CG-CD2 4.34Å; L48-L114 HydrophobicContact CD2-CB 3.92Å; L48-L114 HydrophobicContact CD2-CD1 4.18Å; L48-L114 HydrophobicContact CG-CB 4Å; L48-L114 HydrophobicContact CG-CD1 4.17Å; Y51-L114 HydrophobicContact CD2-CD1 4.03Å; Y51-L114 HydrophobicContact CE2-CD1 3.76Å; L110-L114 PolarHBondContact O-N 2.91Å; L110-L114 VanDerWaalsContact O-N 3.09Å; V111-L114 PolarHBondContact O-N 3.29Å; V111-L114 VanDerWaalsContact O-N 3.11Å; S112-L114 VanDerWaalsContact C-N 3.33Å; S112-L114 PolarHBondContact O-N 2.9Å; L114-S117 WeakPolarHBondContact O-CB 3.32Å; L114-S117 PolarHBondContact O-N 3.21Å; L114-R118 HydrophobicContact CD1-CG 4.45Å; L114-R118 WeakPolarHBondContact O-CG 3.28Å; L114-R118 PolarHBondContact O-N 3.32Å
115E94.2Very high89.8Confident60 Ų6056.7 Ų56.728%0.2829%0.291SS..Hα-helixtrans-58.1-49.1172.9-71.9176.4165.700110.6S8 L12 V111 S117 R118 M119S8-E115 VanDerWaalsContact CB-OE1 3.22Å; S8-E115 WeakPolarHBondContact CB-OE1 3.32Å; S8-E115 PolarHBondContact OG-OE1 2.74Å; L12-E115 HydrophobicContact CD1-CG 4.15Å; L12-E115 HydrophobicContact CD2-CG 3.9Å; L12-E115 HydrophobicContact CG-CG 4.22Å; V111-E115 HydrophobicContact CG1-CG 4.41Å; V111-E115 WeakPolarHBondContact O-CG 3.42Å; V111-E115 PolarHBondContact O-N 2.76Å; E115-S117 VanDerWaalsContact C-N 3.32Å; E115-S117 PolarHBondContact O-N 2.74Å; E115-R118 PolarHBondContact O-N 2.57Å; E115-M119 WeakPolarHBondContact O-CB 3.23Å; E115-M119 VanDerWaalsContact O-CG 3.27Å; E115-M119 WeakPolarHBondContact O-CG 3.39Å; E115-M119 PolarHBondContact O-N 2.99Å
116A93.2Very high87.9Confident38 Ų3862 Ų6231%0.31432%0.315SS..Hα-helixtrans-58.4-43.6176.700000111.7S112 R118 M119 I120S112-A116 WeakPolarHBondContact O-CB 2.99Å; S112-A116 PolarHBondContact O-N 3.12Å; A116-R118 PolarHBondContact O-N 3.11Å; A116-M119 PolarHBondContact O-N 3.18Å; A116-I120 WeakPolarHBondContact O-CB 3.36Å; A116-I120 WeakPolarHBondContact O-CD1 3.41Å; A116-I120 WeakPolarHBondContact O-CG1 3.5Å; A116-I120 PolarHBondContact O-N 2.61Å
117S91.4Very high85.7Confident7 Ų771 Ų715%0.04935%0.354CS..Hα-helixtrans-57.9-48.1176.4-60.70000112.3H52 E113 L114 E115 I120 L121H52-S117 PolarHBondContact CE1-OG 2.92Å; H52-S117 PolarHBondContact ND1-OG 2.62Å; E113-S117 WeakPolarHBondContact O-CB 3.15Å; E113-S117 PolarHBondContact O-N 2.73Å; E113-S117 PolarHBondContact O-OG 3.5Å; L114-S117 WeakPolarHBondContact O-CB 3.32Å; L114-S117 PolarHBondContact O-N 3.21Å; E115-S117 VanDerWaalsContact C-N 3.32Å; E115-S117 PolarHBondContact O-N 2.74Å; S117-I120 PolarHBondContact O-N 3.23Å; S117-L121 PolarHBondContact O-N 3.06Å
118R91.1Very high83.4Confident60 Ų6080 Ų8023%0.22639%0.393CS..Hα-helixtrans-66.5-41.7178.4-73.4178.8174.5-171.52.2111.5L12 E47 Y51 L114 E115 A116 L121 I122L12-R118 PolarHBondContact O-NH1 3.37Å; L12-R118 PolarHBondContact O-NH2 2.82Å; L12-R118 VanDerWaalsContact O-NH2 3.15Å; E47-R118 IonicContact OE2-CZ 3.53Å; E47-R118 IonicContact OE2-NH2 3.86Å; E47-R118 PolarHBondContact OE2-NH2 3.32Å; Y51-R118 HydrophobicContact CE1-CG 4.21Å; Y51-R118 HydrophobicContact CE2-CG 3.91Å; L114-R118 HydrophobicContact CD1-CG 4.45Å; L114-R118 WeakPolarHBondContact O-CG 3.28Å; L114-R118 PolarHBondContact O-N 3.32Å; E115-R118 PolarHBondContact O-N 2.57Å; A116-R118 PolarHBondContact O-N 3.11Å; R118-L121 WeakPolarHBondContact O-CB 3.38Å; R118-L121 PolarHBondContact O-N 3.36Å; R118-I122 WeakPolarHBondContact O-CG1 3.37Å; R118-I122 PolarHBondContact O-N 3.39Å; R118-I122 VanDerWaalsContact O-N 3.09Å
119M89.1Confident81Confident114 Ų11482.2 Ų82.256%0.56242%0.415SS*.Hα-helixtrans-64.2-41.6175.8-72.6178.471.600112.1E115 A116 L121 I122 N123E115-M119 WeakPolarHBondContact O-CB 3.23Å; E115-M119 VanDerWaalsContact O-CG 3.27Å; E115-M119 WeakPolarHBondContact O-CG 3.39Å; E115-M119 PolarHBondContact O-N 2.99Å; A116-M119 PolarHBondContact O-N 3.18Å; M119-L121 VanDerWaalsContact C-N 3.3Å; M119-L121 PolarHBondContact O-N 3.36Å; M119-I122 PolarHBondContact O-N 2.96Å; M119-N123 VanDerWaalsContact O-CB 3.32Å; M119-N123 WeakPolarHBondContact O-CB 3.27Å; M119-N123 PolarHBondContact O-N 3.1Å; M119-N123 PolarHBondContact O-ND2 3.38Å
120I84.9Confident78.6Confident102 Ų10287.8 Ų87.852%0.52344%0.442SS..Hα-helixtrans-60.9-42.5175-72.2164.9000109.8A116 S117 I122 N123 R124A116-I120 WeakPolarHBondContact O-CB 3.36Å; A116-I120 WeakPolarHBondContact O-CD1 3.41Å; A116-I120 WeakPolarHBondContact O-CG1 3.5Å; A116-I120 PolarHBondContact O-N 2.61Å; S117-I120 PolarHBondContact O-N 3.23Å; I120-I122 VanDerWaalsContact C-N 3.32Å; I120-I122 PolarHBondContact O-N 3.35Å; I120-N123 PolarHBondContact O-N 3.39Å; I120-R124 CarbonylContact O-C 3.32Å; I120-R124 VanDerWaalsContact O-C 3.32Å; I120-R124 VanDerWaalsContact O-CA 3.32Å; I120-R124 WeakPolarHBondContact O-CA 3.41Å; I120-R124 WeakPolarHBondContact O-CB 3.18Å; I120-R124 PolarHBondContact O-N 2.88Å; I120-R124 VanDerWaalsContact O-O 3.12Å
121L82.6Confident76.4Confident75 Ų7593.8 Ų93.839%0.39347%0.47SS..Hα-helixtrans-61.3-38.6176-178.965.8000112.5Y51 S117 R118 M119 R124 P125 Q126Y51-L121 HydrophobicContact CD1-CD2 4.22Å; Y51-L121 HydrophobicContact CE1-CD2 3.71Å; S117-L121 PolarHBondContact O-N 3.06Å; R118-L121 WeakPolarHBondContact O-CB 3.38Å; R118-L121 PolarHBondContact O-N 3.36Å; M119-L121 VanDerWaalsContact C-N 3.3Å; M119-L121 PolarHBondContact O-N 3.36Å; L121-R124 CarbonylContact O-C 3.36Å; L121-P125 WeakPolarHBondContact O-CA 3.48Å; L121-Q126 HydrophobicContact CD1-CB 4.46Å; L121-Q126 HydrophobicContact CD1-CG 4.4Å
122I83.3Confident74.3Confident136 Ų13698.3 Ų98.370%0.69750%0.502SS*.Hα-helixtrans-74.7-44.3179.5-66170.3000111.3R118 M119 I120R118-I122 WeakPolarHBondContact O-CG1 3.37Å; R118-I122 PolarHBondContact O-N 3.39Å; R118-I122 VanDerWaalsContact O-N 3.09Å; M119-I122 PolarHBondContact O-N 2.96Å; I120-I122 VanDerWaalsContact C-N 3.32Å; I120-I122 PolarHBondContact O-N 3.35Å
123N78.7Confident72.8Confident121 Ų12196.4 Ų96.465%0.64749%0.489SS*.Hα-helixtrans-75.8-30.1-176.7-71-34.2000112.8M119 I120M119-N123 VanDerWaalsContact O-CB 3.32Å; M119-N123 WeakPolarHBondContact O-CB 3.27Å; M119-N123 PolarHBondContact O-N 3.1Å; M119-N123 PolarHBondContact O-ND2 3.38Å; I120-N123 PolarHBondContact O-N 3.39Å
124R74.3Confident72.1Confident197 Ų19795.3 Ų95.374%0.74349%0.488SS*.SBendtrans-13376174.7-64.7-175.7-179.2167.72.2107I120 L121 Q126I120-R124 CarbonylContact O-C 3.32Å; I120-R124 VanDerWaalsContact O-C 3.32Å; I120-R124 VanDerWaalsContact O-CA 3.32Å; I120-R124 WeakPolarHBondContact O-CA 3.41Å; I120-R124 WeakPolarHBondContact O-CB 3.18Å; I120-R124 PolarHBondContact O-N 2.88Å; I120-R124 VanDerWaalsContact O-O 3.12Å; L121-R124 CarbonylContact O-C 3.36Å; R124-Q126 PolarHBondContact O-N 3.47Å
125P63.8Low71.5Confident93 Ų93100.3 Ų100.360%0.60452%0.52SS*.  trans-51.4116.9173.122.4-31.7000106.1L121 K127L121-P125 WeakPolarHBondContact O-CA 3.48Å; P125-K127 VanDerWaalsContact C-N 3.29Å; P125-K127 PolarHBondContact O-N 3.22Å
126Q55Low71.1Confident144 Ų144101.4 Ų101.467%0.67353%0.531SS*.  trans-51.8110.4170.4-71.2-148.5400103.9L121 R124 K128L121-Q126 HydrophobicContact CD1-CB 4.46Å; L121-Q126 HydrophobicContact CD1-CG 4.4Å; R124-Q126 PolarHBondContact O-N 3.47Å; Q126-K128 PolarHBondContact O-N 3.09Å
127K50.9Low70.7Confident188 Ų188100.7 Ų100.782%0.81752%0.521SS*.  trans-53.8102.6155-77.6179.7178.2175.80100.8P125 A129P125-K127 VanDerWaalsContact C-N 3.29Å; P125-K127 PolarHBondContact O-N 3.22Å; K127-A129 WeakPolarHBondContact O-CA 3.37Å; K127-A129 PolarHBondContact O-N 3.41Å
128K45.9Very low70.4Confident190 Ų190105.1 Ų105.183%0.82654%0.541SS*.  trans-30113.4169.5-81.5-175.8175.3-175.10103.8Q126 Q130Q126-K128 PolarHBondContact O-N 3.09Å; K128-Q130 VanDerWaalsContact O-CA 3.31Å; K128-Q130 WeakPolarHBondContact O-CA 3.43Å; K128-Q130 PolarHBondContact O-N 2.87Å
129A45.4Very low70.3Confident89 Ų89108.9 Ų108.974%0.73656%0.561SS**  trans-40.9100.9-17000000105.6K127 E131K127-A129 WeakPolarHBondContact O-CA 3.37Å; K127-A129 PolarHBondContact O-N 3.41Å; A129-E131 PolarHBondContact O-N 2.76Å
130Q48Very low70.3Confident121 Ų121104.3 Ų104.357%0.56554%0.538SS*.  trans-73.998.5-175.7172.7172.1110097.1K128 S132K128-Q130 VanDerWaalsContact O-CA 3.31Å; K128-Q130 WeakPolarHBondContact O-CA 3.43Å; K128-Q130 PolarHBondContact O-N 2.87Å; Q130-S132 VanDerWaalsContact C-N 3.3Å; Q130-S132 WeakPolarHBondContact O-CA 3.47Å; Q130-S132 PolarHBondContact O-N 3.4Å
131E49Very low70.4Confident127 Ų127103.5 Ų103.559%0.59353%0.531SS*.  trans-35.4109-177.4-77.3177151.500103.9A129 G133 Q486A129-E131 PolarHBondContact O-N 2.76Å; E131-G133 WeakPolarHBondContact O-CA 3.49Å; E131-G133 PolarHBondContact O-N 2.83Å; E131-Q486 VanDerWaalsContact OE2-CD 3.26Å; E131-Q486 PolarHBondContact OE2-NE2 2.82Å; E131-Q486 PolarHBondContact OE2-OE1 3.43Å
132S53.4Low70.8Confident100 Ų100101.6 Ų101.670%0.69953%0.53SS*.  trans-62.399.1-176.553.60000101.3Q130Q130-S132 VanDerWaalsContact C-N 3.3Å; Q130-S132 WeakPolarHBondContact O-CA 3.47Å; Q130-S132 PolarHBondContact O-N 3.4Å
133G64Low71.2Confident5 Ų598.4 Ų98.45%0.05251%0.513CS..  trans-55.9165.1-168.700000107.9E131 Q138E131-G133 WeakPolarHBondContact O-CA 3.49Å; E131-G133 PolarHBondContact O-N 2.83Å; G133-Q138 PolarHBondContact O-NE2 2.84Å; G133-Q138 VanDerWaalsContact O-NE2 3.12Å
134S81.8Confident71.8Confident35 Ų3593.2 Ų93.225%0.24549%0.486CS..  trans-43.5148.917763.60000110.8V136 F137 Q138 F485S134-V136 CarbonylContact O-C 3.55Å; S134-V136 PolarHBondContact O-N 2.92Å; S134-F137 WeakPolarHBondContact O-CA 3.48Å; S134-F137 VanDerWaalsContact O-CB 3.3Å; S134-F137 WeakPolarHBondContact O-CB 3.41Å; S134-F137 PolarHBondContact O-N 3.31Å; S134-F137 PolarHBondContact OG-N 2.85Å; S134-Q138 PolarHBondContact O-N 3.26Å; S134-Q138 VanDerWaalsContact O-N 3.1Å; S134-F485 VanDerWaalsContact CB-O 3.29Å; S134-F485 WeakPolarHBondContact CB-O 3.49Å; S134-F485 PolarHBondContact OG-O 3.4Å
135P81.8Confident72.6Confident104 Ų10490.2 Ų90.268%0.67548%0.482SS*.Hα-helixtrans-48.1-35.9178.6-29.434.8000112.5Q138 E139P135-Q138 PolarHBondContact O-N 3.41Å; P135-E139 WeakPolarHBondContact O-CG 3.47Å; P135-E139 PolarHBondContact O-N 3.44Å
136V84.9Confident74Confident84 Ų8490.1 Ų90.151%0.50949%0.489SS..Hα-helixtrans-60.1-45.6172.9-177.80000112.6S134 Q138 E139 L140 F485S134-V136 CarbonylContact O-C 3.55Å; S134-V136 PolarHBondContact O-N 2.92Å; V136-Q138 VanDerWaalsContact C-N 3.3Å; V136-Q138 PolarHBondContact O-N 3.33Å; V136-E139 PolarHBondContact O-N 2.91Å; V136-L140 HydrophobicContact CG1-CD1 4.18Å; V136-L140 HydrophobicContact CG1-CG 4.49Å; V136-L140 WeakPolarHBondContact O-CG 3.18Å; V136-L140 PolarHBondContact O-N 3.3Å; V136-F485 HydrophobicContact CG1-CD1 4.2Å; V136-F485 HydrophobicContact CG1-CE1 4.36Å
137F85.1Confident75.8Confident23 Ų2385 Ų8510%0.10147%0.466CS..Hα-helixtrans-60.8-39.9174.9176.3-95.6000112S134 L140 K141 F481 E482 F485S134-F137 WeakPolarHBondContact O-CA 3.48Å; S134-F137 VanDerWaalsContact O-CB 3.3Å; S134-F137 WeakPolarHBondContact O-CB 3.41Å; S134-F137 PolarHBondContact O-N 3.31Å; S134-F137 PolarHBondContact OG-N 2.85Å; F137-L140 PolarHBondContact O-N 3.11Å; F137-K141 HydrophobicContact CE1-CD 4.22Å; F137-K141 WeakPolarHBondContact O-CB 3.24Å; F137-K141 PolarHBondContact O-N 3.2Å; F137-F481 HydrophobicContact CE2-CE1 4.2Å; F137-E482 HydrophobicContact CE2-CG 4.17Å; F137-E482 HydrophobicContact CZ-CG 4.46Å; F137-F485 HydrophobicContact CB-CB 4.34Å; F137-F485 HydrophobicContact CD2-CB 4.44Å
138Q86Confident77.7Confident100 Ų10079 Ų7947%0.46746%0.458SS..Hα-helixtrans-65.2-42178.4-61.4-177.612.600111.7G133 S134 P135 V136 K141 G142G133-Q138 PolarHBondContact O-NE2 2.84Å; G133-Q138 VanDerWaalsContact O-NE2 3.12Å; S134-Q138 PolarHBondContact O-N 3.26Å; S134-Q138 VanDerWaalsContact O-N 3.1Å; P135-Q138 PolarHBondContact O-N 3.41Å; V136-Q138 VanDerWaalsContact C-N 3.3Å; V136-Q138 PolarHBondContact O-N 3.33Å; Q138-K141 PolarHBondContact O-N 2.81Å; Q138-G142 PolarHBondContact O-N 3.33Å
139E87.8Confident79.8Confident138 Ų13872.2 Ų72.265%0.64543%0.43SS*.Hα-helixtrans-62.2-48.7174.1-69.9-62.8158.500111.8P135 V136 K141 G142 I143P135-E139 WeakPolarHBondContact O-CG 3.47Å; P135-E139 PolarHBondContact O-N 3.44Å; V136-E139 PolarHBondContact O-N 2.91Å; E139-K141 VanDerWaalsContact C-N 3.32Å; E139-K141 PolarHBondContact O-N 3.43Å; E139-G142 WeakPolarHBondContact O-CA 3.42Å; E139-G142 PolarHBondContact O-N 2.85Å; E139-G142 VanDerWaalsContact O-N 3.11Å; E139-I143 WeakPolarHBondContact O-CG1 3.44Å; E139-I143 PolarHBondContact O-N 3.31Å
140L90Very high81.7Confident18 Ų1872.8 Ų72.89%0.09443%0.429CS..Hα-helixtrans-62.4-39.5178.1-70.6177.1000112.3V136 F137 G142 I143 C144 F161 F162 F485V136-L140 HydrophobicContact CG1-CD1 4.18Å; V136-L140 HydrophobicContact CG1-CG 4.49Å; V136-L140 WeakPolarHBondContact O-CG 3.18Å; V136-L140 PolarHBondContact O-N 3.3Å; F137-L140 PolarHBondContact O-N 3.11Å; L140-G142 VanDerWaalsContact C-N 3.35Å; L140-I143 HydrophobicContact CD2-CD1 4.42Å; L140-I143 PolarHBondContact O-N 2.69Å; L140-C144 PolarHBondContact O-N 3.4Å; L140-C144 PolarHBondContact O-SG 3.46Å; L140-F161 HydrophobicContact CD1-CE1 4.3Å; L140-F161 HydrophobicContact CD2-CE1 4.21Å; L140-F162 HydrophobicContact CD2-CE1 4.06Å; L140-F162 HydrophobicContact CD2-CZ 4.18Å; L140-F485 HydrophobicContact CD1-CD1 4.06Å; L140-F485 HydrophobicContact CD1-CE1 3.46Å; L140-F485 VanDerWaalsContact CD1-CE1 3.46Å; L140-F485 HydrophobicContact CD1-CE2 4.34Å; L140-F485 HydrophobicContact CD1-CZ 3.6Å
141K87.6Confident83.4Confident85 Ų8574.1 Ų74.137%0.3743%0.433SS..Hα-helixtrans-62-44.1172.9-178.8-179.2177.9-177.70110.8F137 Q138 E139 I143 C144 M145F137-K141 HydrophobicContact CE1-CD 4.22Å; F137-K141 WeakPolarHBondContact O-CB 3.24Å; F137-K141 PolarHBondContact O-N 3.2Å; Q138-K141 PolarHBondContact O-N 2.81Å; E139-K141 VanDerWaalsContact C-N 3.32Å; E139-K141 PolarHBondContact O-N 3.43Å; K141-I143 PolarHBondContact O-N 3.47Å; K141-C144 PolarHBondContact O-N 2.85Å; K141-M145 HydrophobicContact CG-SD 4.12Å; K141-M145 VanDerWaalsContact O-CG 3.32Å; K141-M145 WeakPolarHBondContact O-CG 3.43Å; K141-M145 PolarHBondContact O-N 3.27Å
142G89.8Confident85Confident35 Ų3569.6 Ų69.636%0.36141%0.414SS..Hα-helixtrans-57.5-46.417500000112.4Q138 E139 L140 C144 M145 A146Q138-G142 PolarHBondContact O-N 3.33Å; E139-G142 WeakPolarHBondContact O-CA 3.42Å; E139-G142 PolarHBondContact O-N 2.85Å; E139-G142 VanDerWaalsContact O-N 3.11Å; L140-G142 VanDerWaalsContact C-N 3.35Å; G142-C144 PolarHBondContact O-N 2.99Å; G142-M145 PolarHBondContact O-N 3.04Å; G142-A146 WeakPolarHBondContact O-CB 3.49Å; G142-A146 PolarHBondContact O-N 3.42Å
143I91.9Very high86.5Confident69 Ų6968.4 Ų68.435%0.35440%0.404SS..Hα-helixtrans-59.1-48175.5-67.4166.6000110.9E139 L140 K141 M145 A146 L147 I165E139-I143 WeakPolarHBondContact O-CG1 3.44Å; E139-I143 PolarHBondContact O-N 3.31Å; L140-I143 HydrophobicContact CD2-CD1 4.42Å; L140-I143 PolarHBondContact O-N 2.69Å; K141-I143 PolarHBondContact O-N 3.47Å; I143-M145 VanDerWaalsContact C-N 3.33Å; I143-M145 PolarHBondContact O-N 2.99Å; I143-A146 PolarHBondContact O-N 3.43Å; I143-L147 HydrophobicContact CG2-CD1 3.78Å; I143-L147 HydrophobicContact CG2-CG 4.43Å; I143-L147 WeakPolarHBondContact O-CB 3.22Å; I143-L147 WeakPolarHBondContact O-CG 3.33Å; I143-L147 PolarHBondContact O-N 3.25Å; I143-I165 HydrophobicContact CG2-CD1 4.33Å; I143-I165 HydrophobicContact CG2-CG2 4.01Å
144C91.7Very high87.2Confident12 Ų1272.4 Ų72.48%0.08143%0.431CS..Hα-helixtrans-60-44179-67.60000111.7L140 K141 G142 L147 G148 M149 F161L140-C144 PolarHBondContact O-N 3.4Å; L140-C144 PolarHBondContact O-SG 3.46Å; K141-C144 PolarHBondContact O-N 2.85Å; G142-C144 PolarHBondContact O-N 2.99Å; C144-L147 PolarHBondContact O-N 2.87Å; C144-G148 PolarHBondContact O-N 2.89Å; C144-G148 VanDerWaalsContact O-N 3.15Å; C144-M149 HydrophobicContact CB-CB 4.14Å; C144-M149 WeakPolarHBondContact O-CB 3.14Å; C144-M149 PolarHBondContact O-N 3.42Å; C144-F161 VanDerWaalsContact SG-CZ 3.58Å
145M90.9Very high87.4Confident134 Ų13476.9 Ų76.966%0.6645%0.453SS*.Hα-helixtrans-64.9-44.6178.2-71.3177.862.800111.8K141 G142 I143 L147 G148K141-M145 HydrophobicContact CG-SD 4.12Å; K141-M145 VanDerWaalsContact O-CG 3.32Å; K141-M145 WeakPolarHBondContact O-CG 3.43Å; K141-M145 PolarHBondContact O-N 3.27Å; G142-M145 PolarHBondContact O-N 3.04Å; I143-M145 VanDerWaalsContact C-N 3.33Å; I143-M145 PolarHBondContact O-N 2.99Å; M145-L147 VanDerWaalsContact C-N 3.28Å; M145-L147 PolarHBondContact O-N 3.29Å; M145-G148 PolarHBondContact O-N 3.26Å
146A92.7Very high87.8Confident91 Ų9173.8 Ų73.875%0.75243%0.43SS*.Hα-helixtrans-62.8-35.617800000112.3G142 I143 G148G142-A146 WeakPolarHBondContact O-CB 3.49Å; G142-A146 PolarHBondContact O-N 3.42Å; I143-A146 PolarHBondContact O-N 3.43Å; A146-G148 VanDerWaalsContact C-N 3.27Å; A146-G148 PolarHBondContact O-N 2.86Å
147L92.6Very high88.1Confident36 Ų3673.1 Ų73.119%0.18843%0.426CS..THydrogen-bonded Turntrans-82.61175.9-67.2176.8000113.7I143 C144 M145 M149 I165 K168 L169 A172I143-L147 HydrophobicContact CG2-CD1 3.78Å; I143-L147 HydrophobicContact CG2-CG 4.43Å; I143-L147 WeakPolarHBondContact O-CB 3.22Å; I143-L147 WeakPolarHBondContact O-CG 3.33Å; I143-L147 PolarHBondContact O-N 3.25Å; C144-L147 PolarHBondContact O-N 2.87Å; M145-L147 VanDerWaalsContact C-N 3.28Å; M145-L147 PolarHBondContact O-N 3.29Å; L147-M149 VanDerWaalsContact C-N 3.26Å; L147-M149 HydrophobicContact CB-CG 3.95Å; L147-M149 HydrophobicContact CB-SD 4.15Å; L147-M149 HydrophobicContact CD1-SD 4.16Å; L147-M149 PolarHBondContact O-N 3.49Å; L147-I165 HydrophobicContact CD1-CG2 3.88Å; L147-K168 HydrophobicContact CB-CB 4.18Å; L147-K168 HydrophobicContact CD1-CB 4.15Å; L147-L169 HydrophobicContact CD2-CD1 4.41Å; L147-A172 HydrophobicContact CD2-CB 4.48Å
148G90.7Very high88.2Confident63 Ų6375.4 Ų75.465%0.64944%0.438SS*.THydrogen-bonded Turntrans63.429.8-178.700000113.6C144 M145 A146C144-G148 PolarHBondContact O-N 2.89Å; C144-G148 VanDerWaalsContact O-N 3.15Å; M145-G148 PolarHBondContact O-N 3.26Å; A146-G148 VanDerWaalsContact C-N 3.27Å; A146-G148 PolarHBondContact O-N 2.86Å
149M90.4Very high88.4Confident47 Ų4778.5 Ų78.523%0.23245%0.45CS..PPolyproline II helixtrans-78.1139.4178.6-63.7177.669.200110.6C144 L147 I165 K168C144-M149 HydrophobicContact CB-CB 4.14Å; C144-M149 WeakPolarHBondContact O-CB 3.14Å; C144-M149 PolarHBondContact O-N 3.42Å; L147-M149 VanDerWaalsContact C-N 3.26Å; L147-M149 HydrophobicContact CB-CG 3.95Å; L147-M149 HydrophobicContact CB-SD 4.15Å; L147-M149 HydrophobicContact CD1-SD 4.16Å; L147-M149 PolarHBondContact O-N 3.49Å; M149-I165 HydrophobicContact CE-CG1 4.09Å; M149-I165 HydrophobicContact SD-CG1 3.91Å; M149-K168 HydrophobicContact CG-CB 4.38Å; M149-K168 HydrophobicContact CG-CD 4.38Å; M149-K168 HydrophobicContact CG-CG 3.87Å; M149-K168 HydrophobicContact SD-CB 4.29Å; M149-K168 HydrophobicContact SD-CG 4.17Å
150S86.1Confident88.6Confident102 Ų10277 Ų7771%0.71344%0.443SS*.PPolyproline II helixtrans-67.5162.1169.356.10000110.9P152S150-P152 VanDerWaalsContact O-N 3.17Å
151K82.8Confident88.7Confident149 Ų14976.4 Ų76.465%0.64844%0.44SS*.PPolyproline II helixtrans-53.3124.9173.9-173.2176.1-179.11760108.9E482K151-E482 IonicContact NZ-OE1 3.37Å
152P83.2Confident89Confident32 Ų3276.9 Ų76.921%0.20844%0.442CS..PPolyproline II helixtrans-62.6145.6179.821.5-30000110.6S150 I156 F161 F481S150-P152 VanDerWaalsContact O-N 3.17Å; P152-I156 HydrophobicContact CB-CD1 4.22Å; P152-I156 HydrophobicContact CB-CG2 4.03Å; P152-F161 HydrophobicContact CB-CD2 4.19Å; P152-F161 HydrophobicContact CB-CE2 4.32Å; P152-F161 HydrophobicContact CG-CD2 4.4Å; P152-F161 HydrophobicContact CG-CE2 4.08Å; P152-F481 HydrophobicContact CG-CE1 4.17Å; P152-F481 HydrophobicContact CG-CZ 4.22Å
153P84.7Confident89.3Confident75 Ų7577.2 Ų77.249%0.48744%0.439SS..PPolyproline II helixtrans-55.8147.5173.4-23.933.6000111.9N155 I156P153-N155 VanDerWaalsContact CB-OD1 3.26Å; P153-N155 WeakPolarHBondContact CB-OD1 3.46Å; P153-N155 PolarHBondContact O-N 2.85Å; P153-N155 VanDerWaalsContact O-N 3.14Å; P153-I156 WeakPolarHBondContact O-CB 3.5Å; P153-I156 WeakPolarHBondContact O-CG2 3.32Å; P153-I156 PolarHBondContact O-N 2.97Å; P153-I156 VanDerWaalsContact O-N 3.15Å
154S78.4Confident89.3Confident88 Ų8875.1 Ų75.162%0.61543%0.434SS*.THydrogen-bonded Turntrans-63-20.3-179480000114.1
155N86.8Confident89.5Confident130 Ų13075.5 Ų75.570%0.69544%0.435SS*.THydrogen-bonded Turntrans-103.512.9-179.966.3-27.1000113.7P153P153-N155 VanDerWaalsContact CB-OD1 3.26Å; P153-N155 WeakPolarHBondContact CB-OD1 3.46Å; P153-N155 PolarHBondContact O-N 2.85Å; P153-N155 VanDerWaalsContact O-N 3.14Å
156I89.3Confident89.6Confident38 Ų3873.9 Ų73.920%0.19543%0.426CS..  trans-66.8135.6179.9-161.6167.1000111P152 P153 Q160 F161 F481P152-I156 HydrophobicContact CB-CD1 4.22Å; P152-I156 HydrophobicContact CB-CG2 4.03Å; P153-I156 WeakPolarHBondContact O-CB 3.5Å; P153-I156 WeakPolarHBondContact O-CG2 3.32Å; P153-I156 PolarHBondContact O-N 2.97Å; P153-I156 VanDerWaalsContact O-N 3.15Å; I156-Q160 HydrophobicContact CD1-CB 4.36Å; I156-Q160 HydrophobicContact CG1-CB 3.83Å; I156-F161 HydrophobicContact CD1-CB 3.92Å; I156-F161 HydrophobicContact CD1-CD2 4.23Å; I156-F161 HydrophobicContact CG1-CB 4.2Å; I156-F161 HydrophobicContact CG2-CB 4.47Å; I156-F481 HydrophobicContact CG2-CD2 3.82Å; I156-F481 HydrophobicContact CG2-CE2 4.19Å; I156-F481 HydrophobicContact CG2-CG 4.48Å
157T91.1Very high89.7Confident71 Ų7176 Ų7644%0.43642%0.418SS..  trans-81.3156.1171.363.90000111.1F159 Q160 F161T157-F159 VanDerWaalsContact C-N 3.27Å; T157-F159 PolarHBondContact O-N 3.39Å; T157-Q160 VanDerWaalsContact N-OE1 3.17Å; T157-Q160 PolarHBondContact O-N 2.96Å; T157-Q160 WeakPolarHBondContact OG1-CB 3.13Å; T157-Q160 WeakPolarHBondContact OG1-CG 3.25Å; T157-Q160 PolarHBondContact OG1-N 3.28Å; T157-Q160 PolarHBondContact OG1-OE1 3.38Å; T157-F161 WeakPolarHBondContact O-CB 3.48Å; T157-F161 PolarHBondContact O-N 3.23Å
158M87.8Confident89.9Confident71 Ų7177.9 Ų77.935%0.3543%0.425SS..Hα-helixtrans-55.1-43176.6-72.4-69.8-82.500112.6F161 F162 F484 F485M158-F161 PolarHBondContact O-N 3.47Å; M158-F162 HydrophobicContact CE-CE2 3.76Å; M158-F162 VanDerWaalsContact O-CD2 3.3Å; M158-F162 WeakPolarHBondContact O-CD2 3.26Å; M158-F162 PolarHBondContact O-N 2.85Å; M158-F162 HydrophobicContact SD-CE2 4.45Å; M158-F484 HydrophobicContact CE-CE1 4.02Å; M158-F484 HydrophobicContact SD-CD1 4.37Å; M158-F484 HydrophobicContact SD-CE1 4.32Å; M158-F485 HydrophobicContact CE-CE1 4.08Å; M158-F485 HydrophobicContact CE-CE2 4.33Å; M158-F485 HydrophobicContact CE-CZ 3.49Å; M158-F485 VanDerWaalsContact CE-CZ 3.49Å; M158-F485 HydrophobicContact SD-CE1 4.45Å; M158-F485 HydrophobicContact SD-CE2 3.64Å; M158-F485 HydrophobicContact SD-CZ 3.38Å; M158-F485 WeakPolarHBondContact SD-CZ 3.46Å
159F90.2Very high90Very high164 Ų16478.9 Ų78.972%0.71942%0.415SS*.Hα-helixtrans-62.8-46.6178.3-178.2-96.1000111.9T157 F161 S163T157-F159 VanDerWaalsContact C-N 3.27Å; T157-F159 PolarHBondContact O-N 3.39Å; F159-F161 VanDerWaalsContact C-N 3.32Å; F159-F161 PolarHBondContact O-N 2.88Å; F159-S163 VanDerWaalsContact O-CB 3.23Å; F159-S163 WeakPolarHBondContact O-CB 3.39Å; F159-S163 PolarHBondContact O-N 3.29Å; F159-S163 PolarHBondContact O-OG 3.28Å
160Q91.8Very high90.1Very high108 Ų10882.6 Ų82.651%0.50543%0.43SS..Hα-helixtrans-63.7-38.8176.9-73.6166.9-27.300111.9I156 T157 G164I156-Q160 HydrophobicContact CD1-CB 4.36Å; I156-Q160 HydrophobicContact CG1-CB 3.83Å; T157-Q160 VanDerWaalsContact N-OE1 3.17Å; T157-Q160 PolarHBondContact O-N 2.96Å; T157-Q160 WeakPolarHBondContact OG1-CB 3.13Å; T157-Q160 WeakPolarHBondContact OG1-CG 3.25Å; T157-Q160 PolarHBondContact OG1-N 3.28Å; T157-Q160 PolarHBondContact OG1-OE1 3.38Å; Q160-G164 PolarHBondContact O-N 3.28Å
161F92.9Very high90.4Very high4 Ų480.6 Ų80.62%0.01841%0.409CS..Hα-helixtrans-62.2-53.4177.7179.4-108.4000111.8L140 C144 P152 I156 T157 M158 F159 S163 G164 I165 F481L140-F161 HydrophobicContact CD1-CE1 4.3Å; L140-F161 HydrophobicContact CD2-CE1 4.21Å; C144-F161 VanDerWaalsContact SG-CZ 3.58Å; P152-F161 HydrophobicContact CB-CD2 4.19Å; P152-F161 HydrophobicContact CB-CE2 4.32Å; P152-F161 HydrophobicContact CG-CD2 4.4Å; P152-F161 HydrophobicContact CG-CE2 4.08Å; I156-F161 HydrophobicContact CD1-CB 3.92Å; I156-F161 HydrophobicContact CD1-CD2 4.23Å; I156-F161 HydrophobicContact CG1-CB 4.2Å; I156-F161 HydrophobicContact CG2-CB 4.47Å; T157-F161 WeakPolarHBondContact O-CB 3.48Å; T157-F161 PolarHBondContact O-N 3.23Å; M158-F161 PolarHBondContact O-N 3.47Å; F159-F161 VanDerWaalsContact C-N 3.32Å; F159-F161 PolarHBondContact O-N 2.88Å; F161-S163 PolarHBondContact O-N 3.46Å; F161-G164 PolarHBondContact O-N 2.93Å; F161-G164 VanDerWaalsContact O-N 3.15Å; F161-I165 HydrophobicContact CD1-CD1 4.06Å; F161-I165 HydrophobicContact CE1-CD1 3.54Å; F161-I165 HydrophobicContact CE2-CD1 4.39Å; F161-I165 HydrophobicContact CZ-CD1 3.73Å; F161-I165 PolarHBondContact O-N 3.17Å; F161-F481 HydrophobicContact CD1-CE2 4.44Å; F161-F481 HydrophobicContact CD2-CE2 4.25Å; F161-F481 HydrophobicContact CD2-CZ 4.41Å; F161-F481 HydrophobicContact CE1-CZ 4.48Å; F161-F481 HydrophobicContact CE2-CE2 4.41Å; F161-F481 HydrophobicContact CE2-CZ 4.12Å; F161-F481 HydrophobicContact CG-CE2 4.26Å; F161-F481 HydrophobicContact CZ-CZ 4.15Å
162F93.9Very high90.9Very high96 Ų9675.6 Ų75.642%0.42140%0.395SS..Hα-helixtrans-68-34.2178.7-77.6-68.2000113.1L140 M158 G164 I165 E166L140-F162 HydrophobicContact CD2-CE1 4.06Å; L140-F162 HydrophobicContact CD2-CZ 4.18Å; M158-F162 HydrophobicContact CE-CE2 3.76Å; M158-F162 VanDerWaalsContact O-CD2 3.3Å; M158-F162 WeakPolarHBondContact O-CD2 3.26Å; M158-F162 PolarHBondContact O-N 2.85Å; M158-F162 HydrophobicContact SD-CE2 4.45Å; F162-G164 VanDerWaalsContact C-N 3.28Å; F162-G164 PolarHBondContact O-N 2.66Å; F162-I165 HydrophobicContact CD1-CD1 4.15Å; F162-I165 HydrophobicContact CE1-CD1 4.4Å; F162-I165 PolarHBondContact O-N 2.88Å; F162-E166 WeakPolarHBondContact O-CB 3.33Å; F162-E166 PolarHBondContact O-N 2.95Å
163S94.5Very high91.3Very high42 Ų4277.8 Ų77.829%0.29441%0.405SS..Hα-helixtrans-62.2-37.5171.6-60.50000111.6F159 F161 E166 K167F159-S163 VanDerWaalsContact O-CB 3.23Å; F159-S163 WeakPolarHBondContact O-CB 3.39Å; F159-S163 PolarHBondContact O-N 3.29Å; F159-S163 PolarHBondContact O-OG 3.28Å; F161-S163 PolarHBondContact O-N 3.46Å; S163-E166 PolarHBondContact O-N 3Å; S163-K167 WeakPolarHBondContact O-CB 3.39Å; S163-K167 PolarHBondContact O-N 3.3Å
164G93.8Very high91.7Very high24 Ų2478.9 Ų78.925%0.24741%0.414CS..Hα-helixtrans-64.2-44174.200000112.6Q160 F161 F162 K167 K168Q160-G164 PolarHBondContact O-N 3.28Å; F161-G164 PolarHBondContact O-N 2.93Å; F161-G164 VanDerWaalsContact O-N 3.15Å; F162-G164 VanDerWaalsContact C-N 3.28Å; F162-G164 PolarHBondContact O-N 2.66Å; G164-K167 PolarHBondContact O-N 3.01Å; G164-K168 PolarHBondContact O-N 2.89Å
165I94.6Very high92.4Very high20 Ų2084.4 Ų84.410%0.10342%0.421CS..Hα-helixtrans-60.5-48.6173.5-68.6173.4000110.3I143 L147 M149 F161 F162 K167 K168 L169I143-I165 HydrophobicContact CG2-CD1 4.33Å; I143-I165 HydrophobicContact CG2-CG2 4.01Å; L147-I165 HydrophobicContact CD1-CG2 3.88Å; M149-I165 HydrophobicContact CE-CG1 4.09Å; M149-I165 HydrophobicContact SD-CG1 3.91Å; F161-I165 HydrophobicContact CD1-CD1 4.06Å; F161-I165 HydrophobicContact CE1-CD1 3.54Å; F161-I165 HydrophobicContact CE2-CD1 4.39Å; F161-I165 HydrophobicContact CZ-CD1 3.73Å; F161-I165 PolarHBondContact O-N 3.17Å; F162-I165 HydrophobicContact CD1-CD1 4.15Å; F162-I165 HydrophobicContact CE1-CD1 4.4Å; F162-I165 PolarHBondContact O-N 2.88Å; I165-K167 VanDerWaalsContact C-N 3.32Å; I165-K167 PolarHBondContact O-N 2.92Å; I165-K168 PolarHBondContact O-N 3.28Å; I165-L169 VanDerWaalsContact O-CB 3.31Å; I165-L169 WeakPolarHBondContact O-CB 3.33Å; I165-L169 PolarHBondContact O-N 2.66Å
166E93.9Very high92.6Very high101 Ų10180.6 Ų80.647%0.47240%0.403SS..Hα-helixtrans-58.1-45179.6-172.1-170.3162.200111.4F162 S163 L169 K170F162-E166 WeakPolarHBondContact O-CB 3.33Å; F162-E166 PolarHBondContact O-N 2.95Å; S163-E166 PolarHBondContact O-N 3Å; E166-L169 PolarHBondContact O-N 3.19Å; E166-K170 WeakPolarHBondContact O-CG 3.36Å; E166-K170 PolarHBondContact O-N 3.42Å; E166-K170 WeakPolarHBondContact OE1-CE 3.25Å; E166-K170 IonicContact OE1-NZ 2.64Å; E166-K170 PolarHBondContact OE1-NZ 3.39Å
167K95.1Very high92.8Very high135 Ų13583 Ų8359%0.58742%0.421SS*.Hα-helixtrans-60.2-49.5176.8-177.2-179.6176.6-179.30111.6S163 G164 I165 L169 K170 E171S163-K167 WeakPolarHBondContact O-CB 3.39Å; S163-K167 PolarHBondContact O-N 3.3Å; G164-K167 PolarHBondContact O-N 3.01Å; I165-K167 VanDerWaalsContact C-N 3.32Å; I165-K167 PolarHBondContact O-N 2.92Å; K167-L169 VanDerWaalsContact C-N 3.3Å; K167-L169 PolarHBondContact O-N 3.37Å; K167-K170 PolarHBondContact O-N 2.88Å; K167-E171 VanDerWaalsContact CE-OE1 3.28Å; K167-E171 WeakPolarHBondContact CE-OE1 3.34Å; K167-E171 WeakPolarHBondContact O-CG 3.48Å; K167-E171 PolarHBondContact O-N 3Å
168K95.2Very high92.4Very high75 Ų7585.7 Ų85.733%0.32644%0.44SS..Hα-helixtrans-64.1-35.5179.3-78.9-78.1168.7-152.40112.6L147 M149 G164 I165 E171 A172L147-K168 HydrophobicContact CB-CB 4.18Å; L147-K168 HydrophobicContact CD1-CB 4.15Å; M149-K168 HydrophobicContact CG-CB 4.38Å; M149-K168 HydrophobicContact CG-CD 4.38Å; M149-K168 HydrophobicContact CG-CG 3.87Å; M149-K168 HydrophobicContact SD-CB 4.29Å; M149-K168 HydrophobicContact SD-CG 4.17Å; G164-K168 PolarHBondContact O-N 2.89Å; I165-K168 PolarHBondContact O-N 3.28Å; K168-E171 IonicContact NZ-OE2 2.82Å; K168-E171 PolarHBondContact NZ-OE2 2.95Å; K168-E171 PolarHBondContact O-N 2.88Å; K168-A172 WeakPolarHBondContact O-CB 3.5Å; K168-A172 PolarHBondContact O-N 3.24Å
169L93.3Very high92.2Very high84 Ų8489 Ų8944%0.4446%0.459SS..Hα-helixtrans-65.3-45.2174.5-17663.8000111.4L147 I165 E166 K167 E171 A172 I173L147-L169 HydrophobicContact CD2-CD1 4.41Å; I165-L169 VanDerWaalsContact O-CB 3.31Å; I165-L169 WeakPolarHBondContact O-CB 3.33Å; I165-L169 PolarHBondContact O-N 2.66Å; E166-L169 PolarHBondContact O-N 3.19Å; K167-L169 VanDerWaalsContact C-N 3.3Å; K167-L169 PolarHBondContact O-N 3.37Å; L169-E171 VanDerWaalsContact C-N 3.33Å; L169-E171 PolarHBondContact O-N 3.27Å; L169-A172 PolarHBondContact O-N 2.82Å; L169-A172 VanDerWaalsContact O-N 3.16Å; L169-I173 HydrophobicContact CD1-CD1 4.17Å; L169-I173 HydrophobicContact CD1-CG1 4.47Å; L169-I173 HydrophobicContact CG-CD1 3.91Å; L169-I173 VanDerWaalsContact O-CG1 3.3Å; L169-I173 WeakPolarHBondContact O-CG1 3.47Å; L169-I173 PolarHBondContact O-N 3.37Å
170K92.3Very high92.1Very high126 Ų12687.3 Ų87.355%0.54845%0.453SS..Hα-helixtrans-61-40.9174.2-72.5177.4-175.5169.90112.1E166 K167 A172 I173 S174E166-K170 WeakPolarHBondContact O-CG 3.36Å; E166-K170 PolarHBondContact O-N 3.42Å; E166-K170 WeakPolarHBondContact OE1-CE 3.25Å; E166-K170 IonicContact OE1-NZ 2.64Å; E166-K170 PolarHBondContact OE1-NZ 3.39Å; K167-K170 PolarHBondContact O-N 2.88Å; K170-A172 VanDerWaalsContact C-N 3.32Å; K170-A172 PolarHBondContact O-N 2.52Å; K170-I173 PolarHBondContact O-N 3.29Å; K170-S174 PolarHBondContact O-N 3.46Å
171E94.1Very high91.9Very high59 Ų5985.1 Ų85.128%0.27645%0.447SS..Hα-helixtrans-62.8-35.1173.8-73.3173.5-165.200112.8K167 K168 L169 S174 R175K167-E171 VanDerWaalsContact CE-OE1 3.28Å; K167-E171 WeakPolarHBondContact CE-OE1 3.34Å; K167-E171 WeakPolarHBondContact O-CG 3.48Å; K167-E171 PolarHBondContact O-N 3Å; K168-E171 IonicContact NZ-OE2 2.82Å; K168-E171 PolarHBondContact NZ-OE2 2.95Å; K168-E171 PolarHBondContact O-N 2.88Å; L169-E171 VanDerWaalsContact C-N 3.33Å; L169-E171 PolarHBondContact O-N 3.27Å; E171-S174 PolarHBondContact O-OG 2.89Å; E171-R175 WeakPolarHBondContact O-CG 3.27Å
172A92.6Very high91.6Very high44 Ų4486.7 Ų86.736%0.36446%0.464SS..Hα-helixtrans-73.7-42.9176.500000111.4L147 K168 L169 K170 S174 R175L147-A172 HydrophobicContact CD2-CB 4.48Å; K168-A172 WeakPolarHBondContact O-CB 3.5Å; K168-A172 PolarHBondContact O-N 3.24Å; L169-A172 PolarHBondContact O-N 2.82Å; L169-A172 VanDerWaalsContact O-N 3.16Å; K170-A172 VanDerWaalsContact C-N 3.32Å; K170-A172 PolarHBondContact O-N 2.52Å; A172-S174 VanDerWaalsContact C-N 3.3Å; A172-S174 PolarHBondContact O-N 3.17Å; A172-R175 WeakPolarHBondContact O-CB 3.32Å; A172-R175 PolarHBondContact O-N 3.41Å
173I91.3Very high91.4Very high79 Ų7987.5 Ų87.541%0.40547%0.469SS..Hα-helixtrans-65-34179-67.9168.7000111.3L169 K170 R175 V176L169-I173 HydrophobicContact CD1-CD1 4.17Å; L169-I173 HydrophobicContact CD1-CG1 4.47Å; L169-I173 HydrophobicContact CG-CD1 3.91Å; L169-I173 VanDerWaalsContact O-CG1 3.3Å; L169-I173 WeakPolarHBondContact O-CG1 3.47Å; L169-I173 PolarHBondContact O-N 3.37Å; K170-I173 PolarHBondContact O-N 3.29Å; I173-R175 PolarHBondContact O-N 3.47Å; I173-V176 WeakPolarHBondContact O-CG2 3.49Å; I173-V176 PolarHBondContact O-N 2.92Å
174S92.1Very high91.3Very high97 Ų9787.3 Ų87.368%0.67847%0.467SS*.THydrogen-bonded Turntrans-68.1-14177.867.90000114.2K170 E171 A172K170-S174 PolarHBondContact O-N 3.46Å; E171-S174 PolarHBondContact O-OG 2.89Å; A172-S174 VanDerWaalsContact C-N 3.3Å; A172-S174 PolarHBondContact O-N 3.17Å
175R93.3Very high91.2Very high204 Ų20489.6 Ų89.677%0.7747%0.473SS*.THydrogen-bonded Turntrans-89-9.4177-62.7173.7-173.4-172.9-0.7113.4E171 A172 I173E171-R175 WeakPolarHBondContact O-CG 3.27Å; A172-R175 WeakPolarHBondContact O-CB 3.32Å; A172-R175 PolarHBondContact O-N 3.41Å; I173-R175 PolarHBondContact O-N 3.47Å
176V92.6Very high90.9Very high51 Ų5191.4 Ų91.431%0.30948%0.482SS..SBendtrans-106.2159.9177.9-63.30000110.7I173 H180I173-V176 WeakPolarHBondContact O-CG2 3.49Å; I173-V176 PolarHBondContact O-N 2.92Å; V176-H180 HydrophobicContact CB-CB 3.85Å; V176-H180 HydrophobicContact CG2-CB 3.73Å
177P92.1Very high90.7Very high88 Ų8892 Ų9257%0.57149%0.489SS*.  trans-56.9151.5177.8-26.635.3000113N179 H180P177-N179 PolarHBondContact O-N 2.73Å; P177-H180 WeakPolarHBondContact O-CB 3.33Å; P177-H180 PolarHBondContact O-N 3.15Å
178P82.3Confident90.3Very high128 Ų12893 Ų9383%0.83149%0.493SS*.THydrogen-bonded Turntrans-53.9-32.8-173.9-27.634000114.8
179N84.5Confident89.9Confident141 Ų14195.2 Ų95.275%0.75452%0.515SS*.THydrogen-bonded Turntrans-98.913.9-178.4-67.8-19.6000113.7P177P177-N179 PolarHBondContact O-N 2.73Å
180H88.3Confident89.6Confident128 Ų12894 Ų9459%0.59351%0.509SS*.SBendtrans-65.6-41.4-175.3-172.876.5000113V176 P177V176-H180 HydrophobicContact CB-CB 3.85Å; V176-H180 HydrophobicContact CG2-CB 3.73Å; P177-H180 WeakPolarHBondContact O-CB 3.33Å; P177-H180 PolarHBondContact O-N 3.15Å
181V86.6Confident89.5Confident62 Ų6289.4 Ų89.438%0.37650%0.497SS..SBendtrans-94.9-22.3-178.8177.20000112.1R266V181-R266 WeakPolarHBondContact O-CD 3.49Å; V181-R266 WeakPolarHBondContact O-CG 3.48Å; V181-R266 PolarHBondContact O-NE 3.48Å
182G87.4Confident89.4Confident36 Ų3692.1 Ų92.137%0.37152%0.52SS..  trans73.2167.4-174.600000113.8R266G182-R266 WeakPolarHBondContact O-CD 3.3Å
183E90Very high89.4Confident113 Ų11394.1 Ų94.153%0.52853%0.527SS..  trans-76143.5179-69.1-60.3143.500111.6R266 Q267E183-R266 CarbonylContact O-C 3.2Å; E183-R266 VanDerWaalsContact O-CA 3.28Å; E183-R266 WeakPolarHBondContact O-CA 3.41Å; E183-R266 WeakPolarHBondContact O-CD 3.49Å; E183-Q267 HydrophobicContact CB-CG 3.97Å; E183-Q267 PolarHBondContact O-N 2.84Å
184P91.4Very high89.5Confident39 Ų3994.9 Ų94.925%0.25353%0.529SS..BIsolated β-bridgetrans-61.6140.7174.427-33000110.9L186 N187P184-L186 VanDerWaalsContact C-N 3.32Å; P184-N187 HydrophobicContact CG-CB 4.29Å
185L91.4Very high89.5Confident71 Ų7192.9 Ų92.937%0.37251%0.51SS..SBendtrans-66.1-40.2174.7-177.162.5000110.8A265L185-A265 HydrophobicContact CB-CB 4.09Å; L185-A265 HydrophobicContact CD2-CB 4.15Å; L185-A265 PolarHBondContact N-O 3.35Å
186L90.1Very high89.5Confident59 Ų5989.7 Ų89.731%0.30950%0.504SS..  trans-102.7101.5175.5-169.460000109.4P184 L190 L262 L263P184-L186 VanDerWaalsContact C-N 3.32Å; L186-L190 HydrophobicContact CD2-CD1 3.68Å; L186-L190 HydrophobicContact CD2-CD2 4.45Å; L186-L190 HydrophobicContact CD2-CG 4.48Å; L186-L190 HydrophobicContact CG-CD1 4.47Å; L186-L262 HydrophobicContact CD2-CD2 4.02Å; L186-L262 HydrophobicContact CD2-CG 4.09Å; L186-L263 HydrophobicContact CD2-CD2 4.35Å
187N88.4Confident89.6Confident113 Ų11393.6 Ų93.660%0.60452%0.516SS*.  trans-1104.2-174.465.6-5.9000113.7P184P184-N187 HydrophobicContact CG-CB 4.29Å
188K87.9Confident89.8Confident156 Ų15690.8 Ų90.868%0.67850%0.496SS*.SBendtrans-89.6141.8178-68.3-169.6177.5-176.60110.8L190K188-L190 PolarHBondContact O-N 2.9Å
189P85.4Confident90.3Very high122 Ų12290 Ų9079%0.79248%0.481SS*.  trans-63.9131.7174.427.2-33.5000110.2
190L87.4Confident90.9Very high59 Ų5986 Ų8631%0.30947%0.467SS..  trans-108.1126.2179.1-57.4173.6000109L186 K188 H194 M195 I198 L263L186-L190 HydrophobicContact CD2-CD1 3.68Å; L186-L190 HydrophobicContact CD2-CD2 4.45Å; L186-L190 HydrophobicContact CD2-CG 4.48Å; L186-L190 HydrophobicContact CG-CD1 4.47Å; K188-L190 PolarHBondContact O-N 2.9Å; L190-H194 HydrophobicContact CB-CB 4.19Å; L190-H194 HydrophobicContact CD2-CB 4.04Å; L190-M195 HydrophobicContact CB-CG 4.43Å; L190-M195 HydrophobicContact CB-SD 4.06Å; L190-M195 HydrophobicContact CD1-SD 3.75Å; L190-I198 HydrophobicContact CD1-CD1 3.71Å; L190-I198 HydrophobicContact CD2-CD1 3.9Å; L190-I198 HydrophobicContact CG-CD1 4.4Å; L190-L263 HydrophobicContact CD1-CD2 4.09Å
191G90.6Very high91.2Very high29 Ų2984.8 Ų84.830%0.29946%0.464SS..  trans-90.7175.1170.100000111.4V193 H194 M195G191-V193 VanDerWaalsContact C-N 3.31Å; G191-V193 PolarHBondContact O-N 3.14Å; G191-H194 PolarHBondContact N-ND1 3.23Å; G191-H194 WeakPolarHBondContact O-CA 3.41Å; G191-H194 WeakPolarHBondContact O-CB 3.5Å; G191-H194 PolarHBondContact O-N 3.33Å; G191-M195 PolarHBondContact O-N 2.95Å
192P91.4Very high91.6Very high116 Ų11684 Ų8475%0.75346%0.458SS*.Hα-helixtrans-53.7-44-179.3-27.235.2000113.5H194 M195 E196P192-H194 VanDerWaalsContact C-N 3.29Å; P192-H194 PolarHBondContact O-N 3.16Å; P192-M195 WeakPolarHBondContact O-CB 3.29Å; P192-M195 PolarHBondContact O-N 3.34Å; P192-M195 VanDerWaalsContact O-N 3.15Å; P192-E196 PolarHBondContact O-N 3.08Å
193V93.6Very high92Very high85 Ų8588.6 Ų88.652%0.51547%0.47SS..Hα-helixtrans-64.2-33.4177.9-179.30000112.2G191 K197G191-V193 VanDerWaalsContact C-N 3.31Å; G191-V193 PolarHBondContact O-N 3.14Å; V193-K197 WeakPolarHBondContact O-CG 3.48Å; V193-K197 PolarHBondContact O-N 2.67Å
194H93.1Very high92.3Very high95 Ų9587 Ų8744%0.4447%0.471SS..Hα-helixtrans-70.2-39.7175.6-58.7151.3000110.9L190 G191 P192 K197 I198L190-H194 HydrophobicContact CB-CB 4.19Å; L190-H194 HydrophobicContact CD2-CB 4.04Å; G191-H194 PolarHBondContact N-ND1 3.23Å; G191-H194 WeakPolarHBondContact O-CA 3.41Å; G191-H194 WeakPolarHBondContact O-CB 3.5Å; G191-H194 PolarHBondContact O-N 3.33Å; P192-H194 VanDerWaalsContact C-N 3.29Å; P192-H194 PolarHBondContact O-N 3.16Å; H194-K197 PolarHBondContact O-N 3.01Å; H194-I198 WeakPolarHBondContact O-CB 3.34Å; H194-I198 WeakPolarHBondContact O-CD1 3.22Å; H194-I198 VanDerWaalsContact O-CG1 3.24Å; H194-I198 WeakPolarHBondContact O-CG1 3.5Å; H194-I198 PolarHBondContact O-N 3.26Å
195M91.7Very high92.5Very high56 Ų5688.7 Ų88.728%0.27648%0.478SS..Hα-helixtrans-63.1-45.5177.8-68.2-60.2-68.900111.6L190 G191 P192 K197 I198 E199 V259 L263L190-M195 HydrophobicContact CB-CG 4.43Å; L190-M195 HydrophobicContact CB-SD 4.06Å; L190-M195 HydrophobicContact CD1-SD 3.75Å; G191-M195 PolarHBondContact O-N 2.95Å; P192-M195 WeakPolarHBondContact O-CB 3.29Å; P192-M195 PolarHBondContact O-N 3.34Å; P192-M195 VanDerWaalsContact O-N 3.15Å; M195-K197 VanDerWaalsContact C-N 3.33Å; M195-K197 PolarHBondContact O-N 3.01Å; M195-I198 PolarHBondContact O-N 2.9Å; M195-I198 VanDerWaalsContact O-N 3.15Å; M195-E199 WeakPolarHBondContact O-CG 3.47Å; M195-E199 PolarHBondContact O-N 3.39Å; M195-V259 HydrophobicContact CE-CG1 3.96Å; M195-L263 HydrophobicContact CE-CD1 4.49Å
196E93.8Very high92.7Very high137 Ų13786.4 Ų86.464%0.6447%0.471SS*.Hα-helixtrans-57.6-45.5175.7-173.5-174.8176.100111.7P192 I198 E199 A200P192-E196 PolarHBondContact O-N 3.08Å; E196-I198 PolarHBondContact O-N 3.35Å; E196-E199 PolarHBondContact O-N 3.47Å; E196-A200 PolarHBondContact O-N 2.86Å
197K95.2Very high92.9Very high133 Ų13387.9 Ų87.958%0.57848%0.48SS*.Hα-helixtrans-63.5-41.1176.2-73.2178.8-179.3-178.50112.5V193 H194 M195 E199 A200 I201V193-K197 WeakPolarHBondContact O-CG 3.48Å; V193-K197 PolarHBondContact O-N 2.67Å; H194-K197 PolarHBondContact O-N 3.01Å; M195-K197 VanDerWaalsContact C-N 3.33Å; M195-K197 PolarHBondContact O-N 3.01Å; K197-E199 VanDerWaalsContact C-N 3.34Å; K197-A200 PolarHBondContact O-N 3.33Å; K197-I201 VanDerWaalsContact O-CG1 3.29Å; K197-I201 WeakPolarHBondContact O-CG1 3.48Å; K197-I201 PolarHBondContact O-N 3.12Å
198I94.4Very high93.2Very high29 Ų2986.6 Ų86.615%0.14947%0.47CS..Hα-helixtrans-65.4-40.8178.6-72.8165.8000110.6L190 H194 M195 E196 I201 N202 V259 L262L190-I198 HydrophobicContact CD1-CD1 3.71Å; L190-I198 HydrophobicContact CD2-CD1 3.9Å; L190-I198 HydrophobicContact CG-CD1 4.4Å; H194-I198 WeakPolarHBondContact O-CB 3.34Å; H194-I198 WeakPolarHBondContact O-CD1 3.22Å; H194-I198 VanDerWaalsContact O-CG1 3.24Å; H194-I198 WeakPolarHBondContact O-CG1 3.5Å; H194-I198 PolarHBondContact O-N 3.26Å; M195-I198 PolarHBondContact O-N 2.9Å; M195-I198 VanDerWaalsContact O-N 3.15Å; E196-I198 PolarHBondContact O-N 3.35Å; I198-I201 PolarHBondContact O-N 3.19Å; I198-N202 WeakPolarHBondContact O-CB 3.49Å; I198-N202 PolarHBondContact O-N 3.04Å; I198-V259 HydrophobicContact CG2-CB 4.41Å; I198-V259 HydrophobicContact CG2-CG1 3.75Å; I198-V259 HydrophobicContact CG2-CG2 3.86Å; I198-L262 HydrophobicContact CG2-CD2 3.76Å
199E94.6Very high93.6Very high111 Ų11185 Ų8552%0.51946%0.461SS..Hα-helixtrans-62.3-44.5174.8-75.4177.6179.800111.6M195 E196 K197 I201 N202 Q203 V259M195-E199 WeakPolarHBondContact O-CG 3.47Å; M195-E199 PolarHBondContact O-N 3.39Å; E196-E199 PolarHBondContact O-N 3.47Å; K197-E199 VanDerWaalsContact C-N 3.34Å; E199-I201 VanDerWaalsContact C-N 3.35Å; E199-I201 PolarHBondContact O-N 2.95Å; E199-N202 PolarHBondContact O-N 2.95Å; E199-Q203 WeakPolarHBondContact O-CB 3.31Å; E199-Q203 PolarHBondContact O-N 3.44Å; E199-V259 HydrophobicContact CG-CG2 3.8Å
200A96Very high94.1Very high56 Ų5680.9 Ų80.946%0.46343%0.431SS..Hα-helixtrans-60.2-42.7175.100000112.3E196 K197 Q203 S204E196-A200 PolarHBondContact O-N 2.86Å; K197-A200 PolarHBondContact O-N 3.33Å; A200-Q203 PolarHBondContact O-N 3.04Å; A200-S204 WeakPolarHBondContact O-CB 3.39Å; A200-S204 PolarHBondContact O-N 2.72Å
201I95.7Very high94.5Very high103 Ų10382.7 Ų82.753%0.52844%0.444SS..Hα-helixtrans-62.5-46.9174.2-68.6165.3000110.5K197 I198 E199 Q203 S204 L205K197-I201 VanDerWaalsContact O-CG1 3.29Å; K197-I201 WeakPolarHBondContact O-CG1 3.48Å; K197-I201 PolarHBondContact O-N 3.12Å; I198-I201 PolarHBondContact O-N 3.19Å; E199-I201 VanDerWaalsContact C-N 3.35Å; E199-I201 PolarHBondContact O-N 2.95Å; I201-Q203 VanDerWaalsContact C-N 3.29Å; I201-Q203 PolarHBondContact O-N 3.49Å; I201-S204 PolarHBondContact O-N 3.5Å; I201-L205 HydrophobicContact CG2-CD1 3.85Å; I201-L205 HydrophobicContact CG2-CG 4.29Å; I201-L205 WeakPolarHBondContact O-CB 3.36Å; I201-L205 WeakPolarHBondContact O-CG 3.23Å; I201-L205 PolarHBondContact O-N 2.93Å
202N94.9Very high94.8Very high47 Ų4786.3 Ų86.325%0.25145%0.449SS..Hα-helixtrans-61.2-39.2179.4-175.566.6000111.7I198 E199 G206 V259I198-N202 WeakPolarHBondContact O-CB 3.49Å; I198-N202 PolarHBondContact O-N 3.04Å; E199-N202 PolarHBondContact O-N 2.95Å; N202-G206 PolarHBondContact O-N 3.31Å; N202-V259 HydrophobicContact CB-CG2 4.09Å
203Q94.9Very high95Very high131 Ų13184.7 Ų84.761%0.61243%0.428SS*.Hα-helixtrans-64.9-46.5175.3-171-17719.300111.5E199 A200 I201 G206 N207E199-Q203 WeakPolarHBondContact O-CB 3.31Å; E199-Q203 PolarHBondContact O-N 3.44Å; A200-Q203 PolarHBondContact O-N 3.04Å; I201-Q203 VanDerWaalsContact C-N 3.29Å; I201-Q203 PolarHBondContact O-N 3.49Å; Q203-G206 PolarHBondContact O-N 3.46Å; Q203-N207 VanDerWaalsContact O-CG 3.25Å; Q203-N207 PolarHBondContact O-N 2.72Å; Q203-N207 PolarHBondContact O-ND2 3.23Å
204S96.3Very high95.1Very high80 Ų8085.5 Ų85.556%0.55942%0.424SS*.Hα-helixtrans-59.1-49.4177.4-175.90000111.6A200 I201 G206 N207 E208A200-S204 WeakPolarHBondContact O-CB 3.39Å; A200-S204 PolarHBondContact O-N 2.72Å; I201-S204 PolarHBondContact O-N 3.5Å; S204-G206 PolarHBondContact O-N 3.28Å; S204-N207 PolarHBondContact O-N 2.99Å; S204-E208 PolarHBondContact O-N 2.99Å
205L95.4Very high95.3Very high74 Ų7485.3 Ų85.339%0.38743%0.425SS..Hα-helixtrans-62.3-44175.7-69.4175.7000111.2I201 N207 E208 Y209I201-L205 HydrophobicContact CG2-CD1 3.85Å; I201-L205 HydrophobicContact CG2-CG 4.29Å; I201-L205 WeakPolarHBondContact O-CB 3.36Å; I201-L205 WeakPolarHBondContact O-CG 3.23Å; I201-L205 PolarHBondContact O-N 2.93Å; L205-N207 VanDerWaalsContact C-N 3.31Å; L205-N207 PolarHBondContact O-N 3.17Å; L205-E208 PolarHBondContact O-N 3.3Å; L205-Y209 HydrophobicContact CB-CD2 4.3Å; L205-Y209 HydrophobicContact CD2-CE2 4.42Å; L205-Y209 WeakPolarHBondContact O-CB 3.5Å; L205-Y209 VanDerWaalsContact O-CD2 3.22Å; L205-Y209 WeakPolarHBondContact O-CD2 3.39Å; L205-Y209 PolarHBondContact O-N 3.29Å
206G94.9Very high95.5Very high23 Ų2387.3 Ų87.324%0.23744%0.436CS..Hα-helixtrans-54.3-47.1177.400000112.4N202 Q203 S204 E210N202-G206 PolarHBondContact O-N 3.31Å; Q203-G206 PolarHBondContact O-N 3.46Å; S204-G206 PolarHBondContact O-N 3.28Å; G206-E210 WeakPolarHBondContact O-CB 3.4Å; G206-E210 PolarHBondContact O-N 3.42Å
207N94.7Very high95.6Very high91 Ų9181.5 Ų81.549%0.48741%0.409SS..Hα-helixtrans-63.1-45.5176.9-67.1-20.1000111.7Q203 S204 L205 E210 V211Q203-N207 VanDerWaalsContact O-CG 3.25Å; Q203-N207 PolarHBondContact O-N 2.72Å; Q203-N207 PolarHBondContact O-ND2 3.23Å; S204-N207 PolarHBondContact O-N 2.99Å; L205-N207 VanDerWaalsContact C-N 3.31Å; L205-N207 PolarHBondContact O-N 3.17Å; N207-E210 PolarHBondContact O-N 2.82Å; N207-V211 WeakPolarHBondContact O-CG2 3.28Å; N207-V211 PolarHBondContact O-N 3.4Å; N207-V211 VanDerWaalsContact O-N 3.11Å
208E95.7Very high95.7Very high86 Ų8680.9 Ų80.940%0.40241%0.407SS..Hα-helixtrans-64.8-44.3-179.7-160.6-167.2-169.800111.9S204 L205 E210 V211 R212S204-E208 PolarHBondContact O-N 2.99Å; L205-E208 PolarHBondContact O-N 3.3Å; E208-E210 VanDerWaalsContact C-N 3.34Å; E208-E210 PolarHBondContact O-N 3.11Å; E208-V211 PolarHBondContact O-N 3.34Å; E208-R212 VanDerWaalsContact CG-NH1 3.29Å; E208-R212 WeakPolarHBondContact O-CG 3.31Å; E208-R212 PolarHBondContact O-N 2.91Å; E208-R212 IonicContact OE1-CZ 2.78Å; E208-R212 VanDerWaalsContact OE1-CZ 3.23Å; E208-R212 IonicContact OE1-NH1 3.57Å; E208-R212 PolarHBondContact OE1-NH1 3.48Å; E208-R212 IonicContact OE1-NH2 3.64Å; E208-R212 PolarHBondContact OE1-NH2 2.96Å; E208-R212 IonicContact OE2-CZ 2.92Å; E208-R212 IonicContact OE2-NH1 3.96Å; E208-R212 PolarHBondContact OE2-NH1 3.13Å; E208-R212 IonicContact OE2-NH2 3.94Å
209Y95.8Very high95.8Very high121 Ų12186.8 Ų86.848%0.47543%0.427SS..Hα-helixtrans-66.6-34.1175.7-85.4-77.5000112.3L205 R212 R213L205-Y209 HydrophobicContact CB-CD2 4.3Å; L205-Y209 HydrophobicContact CD2-CE2 4.42Å; L205-Y209 WeakPolarHBondContact O-CB 3.5Å; L205-Y209 VanDerWaalsContact O-CD2 3.22Å; L205-Y209 WeakPolarHBondContact O-CD2 3.39Å; L205-Y209 PolarHBondContact O-N 3.29Å; Y209-R212 PolarHBondContact O-N 3.26Å; Y209-R213 WeakPolarHBondContact O-CB 3.45Å; Y209-R213 VanDerWaalsContact O-CG 3.28Å; Y209-R213 WeakPolarHBondContact O-CG 3.41Å; Y209-R213 PolarHBondContact O-N 3.35Å
210E95.9Very high95.8Very high36 Ų3684.8 Ų84.817%0.16842%0.419CS..Hα-helixtrans-61.5-45.6173.4-176.7179.5162.300111G206 N207 E208 R213 K214 T253 K254G206-E210 WeakPolarHBondContact O-CB 3.4Å; G206-E210 PolarHBondContact O-N 3.42Å; N207-E210 PolarHBondContact O-N 2.82Å; E208-E210 VanDerWaalsContact C-N 3.34Å; E208-E210 PolarHBondContact O-N 3.11Å; E210-R213 PolarHBondContact O-N 3.1Å; E210-K214 HydrophobicContact CG-CD 4.4Å; E210-K214 WeakPolarHBondContact O-CG 3.43Å; E210-K214 PolarHBondContact O-N 3.26Å; E210-K214 WeakPolarHBondContact OE1-CE 2.9Å; E210-K214 IonicContact OE1-NZ 2.8Å; E210-K214 PolarHBondContact OE1-NZ 3.09Å; E210-T253 WeakPolarHBondContact CA-O 3.45Å; E210-K254 HydrophobicContact CG-CG 4.38Å
211V96.5Very high95.8Very high98 Ų9883.4 Ų83.459%0.59440%0.404SS*.Hα-helixtrans-61.8-45.6175.7175.40000110.9N207 E208 R213 K214 M215N207-V211 WeakPolarHBondContact O-CG2 3.28Å; N207-V211 PolarHBondContact O-N 3.4Å; N207-V211 VanDerWaalsContact O-N 3.11Å; E208-V211 PolarHBondContact O-N 3.34Å; V211-R213 PolarHBondContact O-N 3Å; V211-K214 PolarHBondContact O-N 3.29Å; V211-M215 PolarHBondContact O-N 3.1Å
212R96.1Very high95.7Very high105 Ų10581.7 Ų81.740%0.39640%0.399SS..Hα-helixtrans-60.3-43.3176.3-72.7-174.5-179.9108.33.5112.3E208 Y209 M215 L216E208-R212 VanDerWaalsContact CG-NH1 3.29Å; E208-R212 WeakPolarHBondContact O-CG 3.31Å; E208-R212 PolarHBondContact O-N 2.91Å; E208-R212 IonicContact OE1-CZ 2.78Å; E208-R212 VanDerWaalsContact OE1-CZ 3.23Å; E208-R212 IonicContact OE1-NH1 3.57Å; E208-R212 PolarHBondContact OE1-NH1 3.48Å; E208-R212 IonicContact OE1-NH2 3.64Å; E208-R212 PolarHBondContact OE1-NH2 2.96Å; E208-R212 IonicContact OE2-CZ 2.92Å; E208-R212 IonicContact OE2-NH1 3.96Å; E208-R212 PolarHBondContact OE2-NH1 3.13Å; E208-R212 IonicContact OE2-NH2 3.94Å; Y209-R212 PolarHBondContact O-N 3.26Å; R212-M215 PolarHBondContact O-N 3.4Å; R212-L216 WeakPolarHBondContact O-CG 3.14Å; R212-L216 PolarHBondContact O-N 2.87Å
213R95.9Very high95.7Very high82 Ų8283 Ų8331%0.30941%0.409SS..Hα-helixtrans-63.8-44.1177.3-77177.7177.2-153.46.4111.3Y209 E210 V211 M215 L216 L217 T253 K254Y209-R213 WeakPolarHBondContact O-CB 3.45Å; Y209-R213 VanDerWaalsContact O-CG 3.28Å; Y209-R213 WeakPolarHBondContact O-CG 3.41Å; Y209-R213 PolarHBondContact O-N 3.35Å; E210-R213 PolarHBondContact O-N 3.1Å; V211-R213 PolarHBondContact O-N 3Å; R213-M215 VanDerWaalsContact C-N 3.31Å; R213-M215 PolarHBondContact O-N 3.26Å; R213-L216 PolarHBondContact O-N 3.01Å; R213-L217 WeakPolarHBondContact O-CB 3.27Å; R213-L217 VanDerWaalsContact O-CG 3.23Å; R213-L217 WeakPolarHBondContact O-CG 3.4Å; R213-L217 PolarHBondContact O-N 3.44Å; R213-T253 WeakPolarHBondContact CB-O 3.29Å; R213-T253 WeakPolarHBondContact CD-O 3.2Å; R213-K254 PolarHBondContact NH1-O 3.36Å; R213-K254 VanDerWaalsContact NH1-O 3.11Å
214K96Very high95.5Very high101 Ų10177.9 Ų77.944%0.43939%0.386SS..Hα-helixtrans-57-45.1173.5-74.5173.2-176.7168.10111.6E210 V211 L217 K218 T253E210-K214 HydrophobicContact CG-CD 4.4Å; E210-K214 WeakPolarHBondContact O-CG 3.43Å; E210-K214 PolarHBondContact O-N 3.26Å; E210-K214 WeakPolarHBondContact OE1-CE 2.9Å; E210-K214 IonicContact OE1-NZ 2.8Å; E210-K214 PolarHBondContact OE1-NZ 3.09Å; V211-K214 PolarHBondContact O-N 3.29Å; K214-L217 PolarHBondContact O-N 3.36Å; K214-K218 WeakPolarHBondContact O-CB 3.47Å; K214-K218 PolarHBondContact O-N 2.83Å; K214-T253 HydrophobicContact CG-CG2 3.66Å
215M97Very high95.2Very high92 Ų9279.7 Ų79.745%0.45339%0.386SS..Hα-helixtrans-62.8-45.9177.2-176.7-82.6-76.900111.9V211 R212 R213 L217 K218 R219V211-M215 PolarHBondContact O-N 3.1Å; R212-M215 PolarHBondContact O-N 3.4Å; R213-M215 VanDerWaalsContact C-N 3.31Å; R213-M215 PolarHBondContact O-N 3.26Å; M215-L217 PolarHBondContact O-N 2.91Å; M215-K218 PolarHBondContact O-N 2.68Å; M215-R219 WeakPolarHBondContact O-CG 3.5Å; M215-R219 PolarHBondContact O-N 3.45Å; M215-R219 WeakPolarHBondContact SD-CD 3.41Å; M215-R219 HydrophobicContact SD-CG 3.84Å
216L96.3Very high95Very high97 Ų9778.3 Ų78.351%0.50838%0.382SS..Hα-helixtrans-63.3-40.8177.2-72.2173.8000112.5R212 R213 K218 R219 L220R212-L216 WeakPolarHBondContact O-CG 3.14Å; R212-L216 PolarHBondContact O-N 2.87Å; R213-L216 PolarHBondContact O-N 3.01Å; L216-K218 VanDerWaalsContact C-N 3.35Å; L216-R219 WeakPolarHBondContact O-CB 3.43Å; L216-R219 PolarHBondContact O-N 2.93Å; L216-L220 PolarHBondContact O-N 2.72Å
217L96Very high94.6Very high15 Ų1582.9 Ų82.98%0.07940%0.396CS..Hα-helixtrans-65.1-40.4175.3-71171.7000111.5R213 K214 M215 L220 D221 L251 T253R213-L217 WeakPolarHBondContact O-CB 3.27Å; R213-L217 VanDerWaalsContact O-CG 3.23Å; R213-L217 WeakPolarHBondContact O-CG 3.4Å; R213-L217 PolarHBondContact O-N 3.44Å; K214-L217 PolarHBondContact O-N 3.36Å; M215-L217 PolarHBondContact O-N 2.91Å; L217-L220 WeakPolarHBondContact O-CB 3.2Å; L217-L220 PolarHBondContact O-N 2.77Å; L217-D221 PolarHBondContact O-N 3.19Å; L217-L251 HydrophobicContact CD2-CB 3.54Å; L217-L251 HydrophobicContact CD2-CD1 3.58Å; L217-L251 HydrophobicContact CD2-CG 4.18Å; L217-T253 HydrophobicContact CD1-CG2 3.66Å
218K96.5Very high94.1Very high120 Ų12079.8 Ų79.852%0.52239%0.386SS..Hα-helixtrans-65.1-39.7174.1-173.359.9177.31780111.9K214 M215 L216 L220 D221 V222K214-K218 WeakPolarHBondContact O-CB 3.47Å; K214-K218 PolarHBondContact O-N 2.83Å; M215-K218 PolarHBondContact O-N 2.68Å; L216-K218 VanDerWaalsContact C-N 3.35Å; K218-L220 VanDerWaalsContact C-N 3.33Å; K218-D221 WeakPolarHBondContact O-CB 3.37Å; K218-D221 PolarHBondContact O-N 3.49Å; K218-V222 HydrophobicContact CD-CG2 4.43Å; K218-V222 WeakPolarHBondContact O-CG2 3.41Å; K218-V222 PolarHBondContact O-N 3.08Å
219R96.8Very high93.6Very high154 Ų15485.8 Ų85.858%0.58140%0.404SS*.Hα-helixtrans-60.8-42.8172.8-77.5177.565.9-175.62.8111.4M215 L216 V222 T223M215-R219 WeakPolarHBondContact O-CG 3.5Å; M215-R219 PolarHBondContact O-N 3.45Å; M215-R219 WeakPolarHBondContact SD-CD 3.41Å; M215-R219 HydrophobicContact SD-CG 3.84Å; L216-R219 WeakPolarHBondContact O-CB 3.43Å; L216-R219 PolarHBondContact O-N 2.93Å; R219-V222 PolarHBondContact O-N 3.37Å; R219-T223 WeakPolarHBondContact O-CB 3.45Å; R219-T223 PolarHBondContact O-N 2.88Å; R219-T223 PolarHBondContact O-OG1 3.2Å
220L95.3Very high93.2Very high68 Ų6883 Ų8336%0.35640%0.403SS..Hα-helixtrans-60.1-48.6174.4-178.966000110.7L216 L217 K218 V222 T223 V224 Y244 L251L216-L220 PolarHBondContact O-N 2.72Å; L217-L220 WeakPolarHBondContact O-CB 3.2Å; L217-L220 PolarHBondContact O-N 2.77Å; K218-L220 VanDerWaalsContact C-N 3.33Å; L220-V222 PolarHBondContact O-N 3.27Å; L220-T223 WeakPolarHBondContact O-CB 3.37Å; L220-T223 PolarHBondContact O-N 3.08Å; L220-T223 VanDerWaalsContact O-N 3.17Å; L220-V224 WeakPolarHBondContact O-CG2 3.45Å; L220-V224 PolarHBondContact O-N 3.34Å; L220-Y244 HydrophobicContact CD2-CE2 4.02Å; L220-Y244 HydrophobicContact CG-CE2 3.94Å; L220-Y244 WeakPolarHBondContact CG-OH 3.48Å; L220-L251 HydrophobicContact CD2-CD1 3.85Å
221D94.3Very high92.7Very high27 Ų2787.3 Ų87.314%0.14442%0.423CS..Hα-helixtrans-55.9-49.8177.8-66.9-35.2000111.3L217 K218 T223 V224 Q225 Y244 R248L217-D221 PolarHBondContact O-N 3.19Å; K218-D221 WeakPolarHBondContact O-CB 3.37Å; K218-D221 PolarHBondContact O-N 3.49Å; D221-T223 VanDerWaalsContact C-N 3.34Å; D221-T223 PolarHBondContact O-N 3.09Å; D221-V224 PolarHBondContact O-N 3.12Å; D221-Q225 WeakPolarHBondContact O-CB 3.25Å; D221-Q225 VanDerWaalsContact O-CG 3.25Å; D221-Q225 WeakPolarHBondContact O-CG 3.36Å; D221-Q225 PolarHBondContact O-N 3.39Å; D221-Y244 WeakPolarHBondContact CA-OH 3.37Å; D221-Y244 PolarHBondContact N-OH 3.48Å; D221-Y244 PolarHBondContact OD1-OH 3.48Å; D221-R248 WeakPolarHBondContact OD1-CD 3.19Å; D221-R248 IonicContact OD1-CZ 2.81Å; D221-R248 IonicContact OD1-NE 3.45Å; D221-R248 PolarHBondContact OD1-NE 3.37Å; D221-R248 IonicContact OD1-NH2 3.89Å; D221-R248 IonicContact OD2-CZ 3.59Å; D221-R248 IonicContact OD2-NE 2.75Å; D221-R248 PolarHBondContact OD2-NE 2.92Å; D221-R248 IonicContact OD2-NH2 3.57Å; D221-R248 PolarHBondContact OD2-NH2 2.78Å
222V95.4Very high92.2Very high68 Ų6892.9 Ų92.941%0.41243%0.433SS..Hα-helixtrans-66.3-36179.6174.10000111.8K218 R219 L220 V224 Q225 S226K218-V222 HydrophobicContact CD-CG2 4.43Å; K218-V222 WeakPolarHBondContact O-CG2 3.41Å; K218-V222 PolarHBondContact O-N 3.08Å; R219-V222 PolarHBondContact O-N 3.37Å; L220-V222 PolarHBondContact O-N 3.27Å; V222-V224 VanDerWaalsContact C-N 3.35Å; V222-Q225 PolarHBondContact O-N 3.05Å; V222-S226 PolarHBondContact O-N 3.36Å
223T93.4Very high91.5Very high75 Ų7589.1 Ų89.146%0.4643%0.425SS..Hα-helixtrans-65.5-39.3176.1-56.10000111.2R219 L220 D221 S226R219-T223 WeakPolarHBondContact O-CB 3.45Å; R219-T223 PolarHBondContact O-N 2.88Å; R219-T223 PolarHBondContact O-OG1 3.2Å; L220-T223 WeakPolarHBondContact O-CB 3.37Å; L220-T223 PolarHBondContact O-N 3.08Å; L220-T223 VanDerWaalsContact O-N 3.17Å; D221-T223 VanDerWaalsContact C-N 3.34Å; D221-T223 PolarHBondContact O-N 3.09Å; T223-S226 PolarHBondContact O-OG 2.95Å
224V91Very high91Very high23 Ų2390.3 Ų90.314%0.13943%0.432CS..Hα-helixtrans-71.7-37.5175.8175.10000111L220 D221 V222 S226 F227 L240 Y244L220-V224 WeakPolarHBondContact O-CG2 3.45Å; L220-V224 PolarHBondContact O-N 3.34Å; D221-V224 PolarHBondContact O-N 3.12Å; V222-V224 VanDerWaalsContact C-N 3.35Å; V224-S226 VanDerWaalsContact C-N 3.31Å; V224-S226 PolarHBondContact O-N 3.21Å; V224-F227 WeakPolarHBondContact O-CB 3.49Å; V224-F227 PolarHBondContact O-N 3.12Å; V224-L240 HydrophobicContact CG1-CD2 3.94Å; V224-L240 HydrophobicContact CG1-CG 4.2Å; V224-Y244 HydrophobicContact CB-CD2 4.49Å; V224-Y244 HydrophobicContact CB-CE1 4.41Å; V224-Y244 HydrophobicContact CB-CE2 4.34Å; V224-Y244 HydrophobicContact CG1-CD1 4.03Å; V224-Y244 HydrophobicContact CG1-CD2 4.26Å; V224-Y244 HydrophobicContact CG1-CE1 4.35Å; V224-Y244 HydrophobicContact CG1-CG 3.97Å; V224-Y244 HydrophobicContact CG2-CD2 3.83Å; V224-Y244 HydrophobicContact CG2-CE2 3.62Å; V224-Y244 HydrophobicContact CG2-CG 4.37Å
225Q90.1Very high90.6Very high117 Ų11791.6 Ų91.655%0.54744%0.443SS..Hα-helixtrans-61.6-36.5175.2-74.9173.53.200112.8D221 V222 F227 G228D221-Q225 WeakPolarHBondContact O-CB 3.25Å; D221-Q225 VanDerWaalsContact O-CG 3.25Å; D221-Q225 WeakPolarHBondContact O-CG 3.36Å; D221-Q225 PolarHBondContact O-N 3.39Å; V222-Q225 PolarHBondContact O-N 3.05Å; Q225-F227 PolarHBondContact O-N 2.97Å; Q225-G228 PolarHBondContact O-N 3.38Å
226S90.8Very high90.2Very high46 Ų4691.3 Ų91.332%0.32244%0.44SS..Hα-helixtrans-65.4-26.2179.873.60000113V222 T223 V224 G228 W229V222-S226 PolarHBondContact O-N 3.36Å; T223-S226 PolarHBondContact O-OG 2.95Å; V224-S226 VanDerWaalsContact C-N 3.31Å; V224-S226 PolarHBondContact O-N 3.21Å; S226-G228 PolarHBondContact O-N 3.34Å; S226-W229 WeakPolarHBondContact O-CB 3.47Å; S226-W229 PolarHBondContact O-N 2.97Å; S226-W229 VanDerWaalsContact O-N 3.13Å
227F86.6Confident89.8Confident119 Ų11989 Ų8952%0.52244%0.435SS..Hα-helixtrans-60.8-32.6171.5-63.1-44.3000111.9V224 Q225 W229 A233 L240V224-F227 WeakPolarHBondContact O-CB 3.49Å; V224-F227 PolarHBondContact O-N 3.12Å; Q225-F227 PolarHBondContact O-N 2.97Å; F227-W229 PolarHBondContact O-N 3.28Å; F227-A233 WeakPolarHBondContact O-CB 3.44Å; F227-L240 HydrophobicContact CB-CD2 4.42Å
228G84.6Confident89.4Confident26 Ų2695.2 Ų95.227%0.26846%0.464SS..THydrogen-bonded Turntrans-72-1177.100000115.3Q225 S226 S230 K234Q225-G228 PolarHBondContact O-N 3.38Å; S226-G228 PolarHBondContact O-N 3.34Å; G228-S230 VanDerWaalsContact C-N 3.35Å; G228-K234 VanDerWaalsContact O-CG 3.26Å; G228-K234 WeakPolarHBondContact O-CG 3.45Å
229W85.9Confident89.1Confident211 Ų21196 Ų9680%0.79947%0.467SS*.THydrogen-bonded Turntrans-78-21.1179.1-65.41.9000113S226 F227S226-W229 WeakPolarHBondContact O-CB 3.47Å; S226-W229 PolarHBondContact O-N 2.97Å; S226-W229 VanDerWaalsContact O-N 3.13Å; F227-W229 PolarHBondContact O-N 3.28Å
230S87.8Confident88.7Confident62 Ų6292 Ų9243%0.43446%0.457SS..SBendtrans-86.3141.4175.373.10000111.9G228 R232 A233 K234G228-S230 VanDerWaalsContact C-N 3.35Å; S230-R232 VanDerWaalsContact C-N 3.26Å; S230-R232 PolarHBondContact O-N 2.71Å; S230-A233 PolarHBondContact O-N 3.24Å; S230-A233 WeakPolarHBondContact OG-CB 3.48Å; S230-A233 PolarHBondContact OG-N 3.01Å; S230-K234 PolarHBondContact O-N 3.44Å; S230-K234 VanDerWaalsContact O-N 3.12Å
231E85.6Confident88.5Confident127 Ų12791.3 Ų91.359%0.59346%0.458SS*.Hα-helixtrans-60.4-37.3-178.5-159.455.6-143.700112.3A233 K234E231-A233 VanDerWaalsContact C-N 3.32Å; E231-A233 PolarHBondContact O-N 2.9Å; E231-K234 PolarHBondContact O-N 3.28Å; E231-K234 IonicContact OE2-NZ 2.84Å; E231-K234 PolarHBondContact OE2-NZ 3.43Å
232R84.4Confident88.4Confident215 Ų21597.5 Ų97.581%0.81148%0.483SS*.Hα-helixtrans-62.6-35.9175.5-171.9178.9178.2-175.60.6113S230S230-R232 VanDerWaalsContact C-N 3.26Å; S230-R232 PolarHBondContact O-N 2.71Å
233A81.4Confident88.3Confident27 Ų2798.9 Ų98.922%0.22349%0.492CS..Hα-helixtrans-80.9-30-178.900000112.8F227 S230 E231 I235 Q236 A237F227-A233 WeakPolarHBondContact O-CB 3.44Å; S230-A233 PolarHBondContact O-N 3.24Å; S230-A233 WeakPolarHBondContact OG-CB 3.48Å; S230-A233 PolarHBondContact OG-N 3.01Å; E231-A233 VanDerWaalsContact C-N 3.32Å; E231-A233 PolarHBondContact O-N 2.9Å; A233-I235 PolarHBondContact O-N 3.41Å; A233-Q236 CarbonylContact O-C 3.41Å; A233-Q236 WeakPolarHBondContact O-CA 3.24Å; A233-Q236 PolarHBondContact O-N 2.98Å; A233-A237 PolarHBondContact O-N 3.25Å; A233-A237 VanDerWaalsContact O-N 3.08Å
234K85.2Confident88.2Confident106 Ų10696.6 Ų96.646%0.46148%0.475SS..Hα-helixtrans-56.5-40.5173.2-68.9179.8-168.1162.20111.8G228 S230 E231 Q236 A237G228-K234 VanDerWaalsContact O-CG 3.26Å; G228-K234 WeakPolarHBondContact O-CG 3.45Å; S230-K234 PolarHBondContact O-N 3.44Å; S230-K234 VanDerWaalsContact O-N 3.12Å; E231-K234 PolarHBondContact O-N 3.28Å; E231-K234 IonicContact OE2-NZ 2.84Å; E231-K234 PolarHBondContact OE2-NZ 3.43Å; K234-Q236 PolarHBondContact O-N 3.39Å; K234-A237 WeakPolarHBondContact O-CB 3.38Å; K234-A237 PolarHBondContact O-N 2.93Å; K234-A237 VanDerWaalsContact O-N 3.09Å
235I89.2Confident88.4Confident129 Ų129100.5 Ų100.566%0.66249%0.492SS*.THydrogen-bonded Turntrans-60.5-28.1175.9-58.3167.8000111.8A233A233-I235 PolarHBondContact O-N 3.41Å
236Q87.8Confident88.6Confident85 Ų8598.5 Ų98.540%0.39749%0.489SS..THydrogen-bonded Turntrans-103.210180-54.8-63-33.400113A233 K234 E238 K239 L240A233-Q236 CarbonylContact O-C 3.41Å; A233-Q236 WeakPolarHBondContact O-CA 3.24Å; A233-Q236 PolarHBondContact O-N 2.98Å; K234-Q236 PolarHBondContact O-N 3.39Å; Q236-E238 VanDerWaalsContact C-N 3.29Å; Q236-E238 PolarHBondContact O-N 2.91Å; Q236-K239 PolarHBondContact O-N 3.27Å; Q236-K239 VanDerWaalsContact O-N 3.08Å; Q236-K239 VanDerWaalsContact OE1-CD 3.22Å; Q236-K239 VanDerWaalsContact OE1-CE 3.24Å; Q236-L240 PolarHBondContact O-N 3.21Å
237A86.8Confident88.8Confident49 Ų49101.7 Ų101.741%0.40550%0.502SS..Hα-helixtrans-58.7-38.7-174.100000112.7A233 K234 K239 L240 S241A233-A237 PolarHBondContact O-N 3.25Å; A233-A237 VanDerWaalsContact O-N 3.08Å; K234-A237 WeakPolarHBondContact O-CB 3.38Å; K234-A237 PolarHBondContact O-N 2.93Å; K234-A237 VanDerWaalsContact O-N 3.09Å; A237-K239 PolarHBondContact O-N 3.18Å; A237-L240 PolarHBondContact O-N 3.26Å; A237-S241 WeakPolarHBondContact O-CB 3.29Å; A237-S241 PolarHBondContact O-N 3.33Å
238E89.2Confident89.1Confident145 Ų14598.7 Ų98.768%0.67849%0.487SS*.Hα-helixtrans-62.6-42.6176.3-69-170.6175.200112.5Q236 L240 S241 K242Q236-E238 VanDerWaalsContact C-N 3.29Å; Q236-E238 PolarHBondContact O-N 2.91Å; E238-L240 VanDerWaalsContact C-N 3.34Å; E238-S241 PolarHBondContact O-N 3.32Å; E238-K242 WeakPolarHBondContact O-CB 3.36Å; E238-K242 VanDerWaalsContact O-CG 3.3Å; E238-K242 WeakPolarHBondContact O-CG 3.36Å; E238-K242 PolarHBondContact O-N 3.19Å
239K90.1Very high89.6Confident137 Ų137101.9 Ų101.960%0.59651%0.505SS*.Hα-helixtrans-65.8-40.6177.9-63.4-170.3-167.6158.80111Q236 A237 K242 V243Q236-K239 PolarHBondContact O-N 3.27Å; Q236-K239 VanDerWaalsContact O-N 3.08Å; Q236-K239 VanDerWaalsContact OE1-CD 3.22Å; Q236-K239 VanDerWaalsContact OE1-CE 3.24Å; A237-K239 PolarHBondContact O-N 3.18Å; K239-K242 PolarHBondContact O-N 2.85Å; K239-V243 PolarHBondContact O-N 3.15Å
240L88.8Confident89.9Confident70 Ų7095.3 Ų95.337%0.36650%0.496SS..Hα-helixtrans-62.6-45.1175.8-175.365.6000111.2V224 F227 Q236 A237 E238 V243 Y244V224-L240 HydrophobicContact CG1-CD2 3.94Å; V224-L240 HydrophobicContact CG1-CG 4.2Å; F227-L240 HydrophobicContact CB-CD2 4.42Å; Q236-L240 PolarHBondContact O-N 3.21Å; A237-L240 PolarHBondContact O-N 3.26Å; E238-L240 VanDerWaalsContact C-N 3.34Å; L240-V243 PolarHBondContact O-N 2.99Å; L240-Y244 VanDerWaalsContact O-CB 3.29Å; L240-Y244 WeakPolarHBondContact O-CB 3.17Å; L240-Y244 PolarHBondContact O-N 3.44Å
241S89.3Confident90.2Very high54 Ų5496.3 Ų96.338%0.37850%0.496SS..Hα-helixtrans-62.3-44178.2-170.90000112.1A237 E238 V243 Y244 Q245A237-S241 WeakPolarHBondContact O-CB 3.29Å; A237-S241 PolarHBondContact O-N 3.33Å; E238-S241 PolarHBondContact O-N 3.32Å; S241-V243 PolarHBondContact O-N 3.32Å; S241-Y244 PolarHBondContact O-N 3.09Å; S241-Q245 WeakPolarHBondContact O-CB 3.49Å; S241-Q245 WeakPolarHBondContact O-CG 3.38Å; S241-Q245 PolarHBondContact O-N 2.89Å; S241-Q245 WeakPolarHBondContact OG-CG 3.44Å
242K93.9Very high90.5Very high156 Ų15696.3 Ų96.368%0.67850%0.499SS*.Hα-helixtrans-55.9-33176.6-78.1175.1-178.7176.90113E238 K239 P246E238-K242 WeakPolarHBondContact O-CB 3.36Å; E238-K242 VanDerWaalsContact O-CG 3.3Å; E238-K242 WeakPolarHBondContact O-CG 3.36Å; E238-K242 PolarHBondContact O-N 3.19Å; K239-K242 PolarHBondContact O-N 2.85Å; K242-P246 WeakPolarHBondContact O-CD 3.26Å; K242-P246 WeakPolarHBondContact O-CG 3.49Å
243V91.8Very high90.9Very high97 Ų9788.4 Ų88.459%0.58848%0.475SS*.Hα-helixtrans-88-43.4177.6178.50000111.9K239 L240 S241 L247K239-V243 PolarHBondContact O-N 3.15Å; L240-V243 PolarHBondContact O-N 2.99Å; S241-V243 PolarHBondContact O-N 3.32Å; V243-L247 HydrophobicContact CG1-CD1 4.37Å
244Y93.1Very high91.4Very high28 Ų2893.7 Ų93.711%0.1149%0.493CS..Hα-helixtrans-73.1-45.4-171.5178.8-113.9000113.3L220 D221 V224 L240 S241 L247 R248L220-Y244 HydrophobicContact CD2-CE2 4.02Å; L220-Y244 HydrophobicContact CG-CE2 3.94Å; L220-Y244 WeakPolarHBondContact CG-OH 3.48Å; D221-Y244 WeakPolarHBondContact CA-OH 3.37Å; D221-Y244 PolarHBondContact N-OH 3.48Å; D221-Y244 PolarHBondContact OD1-OH 3.48Å; V224-Y244 HydrophobicContact CB-CD2 4.49Å; V224-Y244 HydrophobicContact CB-CE1 4.41Å; V224-Y244 HydrophobicContact CB-CE2 4.34Å; V224-Y244 HydrophobicContact CG1-CD1 4.03Å; V224-Y244 HydrophobicContact CG1-CD2 4.26Å; V224-Y244 HydrophobicContact CG1-CE1 4.35Å; V224-Y244 HydrophobicContact CG1-CG 3.97Å; V224-Y244 HydrophobicContact CG2-CD2 3.83Å; V224-Y244 HydrophobicContact CG2-CE2 3.62Å; V224-Y244 HydrophobicContact CG2-CG 4.37Å; L240-Y244 VanDerWaalsContact O-CB 3.29Å; L240-Y244 WeakPolarHBondContact O-CB 3.17Å; L240-Y244 PolarHBondContact O-N 3.44Å; S241-Y244 PolarHBondContact O-N 3.09Å; Y244-L247 PolarHBondContact O-N 3.29Å; Y244-L247 VanDerWaalsContact O-N 3.17Å; Y244-R248 HydrophobicContact CD1-CB 4.3Å; Y244-R248 HydrophobicContact CE1-CB 3.89Å; Y244-R248 HydrophobicContact CE1-CG 3.92Å; Y244-R248 HydrophobicContact CE2-CB 4.1Å; Y244-R248 WeakPolarHBondContact O-CB 3.37Å; Y244-R248 PolarHBondContact O-N 2.68Å; Y244-R248 WeakPolarHBondContact OH-CD 3.26Å
245Q93.8Very high91.5Very high104 Ų10490.5 Ų90.549%0.48648%0.484SS..Hα-helixtrans-60.8-43-171.4-65.4-63.2-12.100113.7S241 L247 R248 S249S241-Q245 WeakPolarHBondContact O-CB 3.49Å; S241-Q245 WeakPolarHBondContact O-CG 3.38Å; S241-Q245 PolarHBondContact O-N 2.89Å; S241-Q245 WeakPolarHBondContact OG-CG 3.44Å; Q245-L247 PolarHBondContact O-N 3.5Å; Q245-R248 PolarHBondContact O-N 3.04Å; Q245-S249 PolarHBondContact O-N 3.28Å; Q245-S249 PolarHBondContact O-OG 2.8Å
246P94.9Very high91.5Very high76 Ų7689.9 Ų89.949%0.49448%0.482SS..Hα-helixtrans-63-39175.6-22.834.3000113.2K242 S249 A250K242-P246 WeakPolarHBondContact O-CD 3.26Å; K242-P246 WeakPolarHBondContact O-CG 3.49Å; P246-S249 PolarHBondContact O-OG 3.34Å; P246-A250 PolarHBondContact O-N 3.11Å
247L94.2Very high91.7Very high113 Ų11390.2 Ų90.259%0.59249%0.486SS*.Hα-helixtrans-68.3-40.4176.9-64.8175.8000110.7V243 Y244 Q245 A250 L251V243-L247 HydrophobicContact CG1-CD1 4.37Å; Y244-L247 PolarHBondContact O-N 3.29Å; Y244-L247 VanDerWaalsContact O-N 3.17Å; Q245-L247 PolarHBondContact O-N 3.5Å; L247-A250 PolarHBondContact O-N 2.94Å; L247-L251 WeakPolarHBondContact O-CG 3.32Å
248R94.6Very high91.9Very high56 Ų5689.9 Ų89.921%0.21148%0.48CS..Hα-helixtrans-68.3-36.4-178.9-179.654.1-179.5828.3112.8D221 Y244 Q245 L251D221-R248 WeakPolarHBondContact OD1-CD 3.19Å; D221-R248 IonicContact OD1-CZ 2.81Å; D221-R248 IonicContact OD1-NE 3.45Å; D221-R248 PolarHBondContact OD1-NE 3.37Å; D221-R248 IonicContact OD1-NH2 3.89Å; D221-R248 IonicContact OD2-CZ 3.59Å; D221-R248 IonicContact OD2-NE 2.75Å; D221-R248 PolarHBondContact OD2-NE 2.92Å; D221-R248 IonicContact OD2-NH2 3.57Å; D221-R248 PolarHBondContact OD2-NH2 2.78Å; Y244-R248 HydrophobicContact CD1-CB 4.3Å; Y244-R248 HydrophobicContact CE1-CB 3.89Å; Y244-R248 HydrophobicContact CE1-CG 3.92Å; Y244-R248 HydrophobicContact CE2-CB 4.1Å; Y244-R248 WeakPolarHBondContact O-CB 3.37Å; Y244-R248 PolarHBondContact O-N 2.68Å; Y244-R248 WeakPolarHBondContact OH-CD 3.26Å; Q245-R248 PolarHBondContact O-N 3.04Å; R248-L251 PolarHBondContact O-N 2.93Å
249S93.1Very high92.1Very high92 Ų9283.8 Ų83.864%0.64345%0.453SS*.Hα-helixtrans-71.7-29.6177.264.20000112.6Q245 P246 L251Q245-S249 PolarHBondContact O-N 3.28Å; Q245-S249 PolarHBondContact O-OG 2.8Å; P246-S249 PolarHBondContact O-OG 3.34Å; S249-L251 VanDerWaalsContact C-N 3.27Å; S249-L251 PolarHBondContact O-N 3.38Å
250A93.9Very high92.1Very high74 Ų7480.3 Ų80.361%0.61245%0.45SS*.Hα-helixtrans-71.2-19.217500000113.7P246 L247 L252P246-A250 PolarHBondContact O-N 3.11Å; L247-A250 PolarHBondContact O-N 2.94Å; A250-L252 PolarHBondContact O-N 2.81Å
251L92.9Very high92.3Very high82 Ų8281.1 Ų81.143%0.42945%0.452SS..  trans-82.7112.4-178.8-65.3171000111.8L217 L220 L247 R248 S249L217-L251 HydrophobicContact CD2-CB 3.54Å; L217-L251 HydrophobicContact CD2-CD1 3.58Å; L217-L251 HydrophobicContact CD2-CG 4.18Å; L220-L251 HydrophobicContact CD2-CD1 3.85Å; L247-L251 WeakPolarHBondContact O-CG 3.32Å; R248-L251 PolarHBondContact O-N 2.93Å; S249-L251 VanDerWaalsContact C-N 3.27Å; S249-L251 PolarHBondContact O-N 3.38Å
252L93.2Very high92.3Very high127 Ų12781.7 Ų81.767%0.66545%0.45SS*.  trans-82.7136.7-177.8-57.6177.2000112.7A250A250-L252 PolarHBondContact O-N 2.81Å
253T92.5Very high92.2Very high49 Ų4978.3 Ų78.330%0.30144%0.439SS..SBendtrans-75.8-39.2172.849.90000112E210 R213 K214 L217E210-T253 WeakPolarHBondContact CA-O 3.45Å; R213-T253 WeakPolarHBondContact CB-O 3.29Å; R213-T253 WeakPolarHBondContact CD-O 3.2Å; K214-T253 HydrophobicContact CG-CG2 3.66Å; L217-T253 HydrophobicContact CD1-CG2 3.66Å
254K91.7Very high92.1Very high138 Ų13876.7 Ų76.760%0.644%0.436SS*.SBendtrans-79.6142.4-179.4-67.6-172.5175.4-176.20111.4E210 R213E210-K254 HydrophobicContact CG-CG 4.38Å; R213-K254 PolarHBondContact NH1-O 3.36Å; R213-K254 VanDerWaalsContact NH1-O 3.11Å
255S87.9Confident92.1Very high39 Ų3976 Ų7627%0.27344%0.436SS..  trans-78.4141.3170.6-171.60000110I257S255-I257 WeakPolarHBondContact OG-CB 3.35Å; S255-I257 WeakPolarHBondContact OG-CG1 3.38Å; S255-I257 PolarHBondContact OG-N 3.34Å
256N88.8Confident92Very high117 Ų11774.4 Ų74.463%0.62643%0.425SS*.  trans-94.94.1170.362.1-26.4000112.5H261N256-H261 PolarHBondContact O-CE1 3.41Å
257I91.2Very high91.9Very high92 Ų9275.3 Ų75.347%0.47242%0.423SS..  trans-73.9133.3178.2-55.6-61.3000109.8S255 H261S255-I257 WeakPolarHBondContact OG-CB 3.35Å; S255-I257 WeakPolarHBondContact OG-CG1 3.38Å; S255-I257 PolarHBondContact OG-N 3.34Å; I257-H261 HydrophobicContact CG2-CB 4.29Å
258S92.1Very high91.5Very high42 Ų4274.4 Ų74.429%0.29442%0.419SS..  trans-137171.7-178.170.10000110.8A260 H261 L262S258-A260 PolarHBondContact O-N 2.92Å; S258-A260 PolarHBondContact OG-N 3.22Å; S258-H261 PolarHBondContact N-ND1 3.34Å; S258-H261 WeakPolarHBondContact O-CB 3.41Å; S258-H261 PolarHBondContact O-N 2.92Å; S258-H261 PolarHBondContact OG-ND1 3.06Å; S258-L262 PolarHBondContact O-N 2.96Å
259V91.9Very high91.1Very high17 Ų1779 Ų7910%0.10344%0.44CS..Hα-helixtrans-57.1-31.4175.6-177.80000112M195 I198 E199 N202 H261 L262 L263M195-V259 HydrophobicContact CE-CG1 3.96Å; I198-V259 HydrophobicContact CG2-CB 4.41Å; I198-V259 HydrophobicContact CG2-CG1 3.75Å; I198-V259 HydrophobicContact CG2-CG2 3.86Å; E199-V259 HydrophobicContact CG-CG2 3.8Å; N202-V259 HydrophobicContact CB-CG2 4.09Å; V259-H261 VanDerWaalsContact C-N 3.27Å; V259-H261 PolarHBondContact O-N 3.26Å; V259-L262 WeakPolarHBondContact O-CB 3.08Å; V259-L262 PolarHBondContact O-N 3.27Å; V259-L262 VanDerWaalsContact O-N 3.12Å; V259-L263 HydrophobicContact CG1-CD1 4.44Å; V259-L263 HydrophobicContact CG1-CG 4.47Å; V259-L263 WeakPolarHBondContact O-CG 3.26Å; V259-L263 PolarHBondContact O-N 3.06Å
260A90.8Very high90.7Very high64 Ų6478.2 Ų78.253%0.52944%0.435SS..Hα-helixtrans-60.1-36.9174.100000112.6S258 L262 L263 A264S258-A260 PolarHBondContact O-N 2.92Å; S258-A260 PolarHBondContact OG-N 3.22Å; A260-L262 VanDerWaalsContact C-N 3.34Å; A260-L263 PolarHBondContact O-N 3.41Å; A260-A264 WeakPolarHBondContact O-CB 3.38Å; A260-A264 PolarHBondContact O-N 2.89Å
261H92.4Very high90.2Very high87 Ų8782 Ų8240%0.40344%0.437SS..Hα-helixtrans-68.1-35.8176.3-62.985.9000111.8N256 I257 S258 V259 A264 A265N256-H261 PolarHBondContact O-CE1 3.41Å; I257-H261 HydrophobicContact CG2-CB 4.29Å; S258-H261 PolarHBondContact N-ND1 3.34Å; S258-H261 WeakPolarHBondContact O-CB 3.41Å; S258-H261 PolarHBondContact O-N 2.92Å; S258-H261 PolarHBondContact OG-ND1 3.06Å; V259-H261 VanDerWaalsContact C-N 3.27Å; V259-H261 PolarHBondContact O-N 3.26Å; H261-A264 PolarHBondContact O-N 3.1Å; H261-A265 PolarHBondContact O-N 3.43Å
262L90.8Very high89.5Confident66 Ų6685.6 Ų85.635%0.34646%0.456SS..Hα-helixtrans-63.1-43.6173.3174.265.8000111.3L186 I198 S258 V259 A260 A264 A265L186-L262 HydrophobicContact CD2-CD2 4.02Å; L186-L262 HydrophobicContact CD2-CG 4.09Å; I198-L262 HydrophobicContact CG2-CD2 3.76Å; S258-L262 PolarHBondContact O-N 2.96Å; V259-L262 WeakPolarHBondContact O-CB 3.08Å; V259-L262 PolarHBondContact O-N 3.27Å; V259-L262 VanDerWaalsContact O-N 3.12Å; A260-L262 VanDerWaalsContact C-N 3.34Å; L262-A264 VanDerWaalsContact C-N 3.33Å; L262-A265 WeakPolarHBondContact O-CB 3.47Å; L262-A265 PolarHBondContact O-N 3.35Å
263L90.1Very high88.5Confident85 Ų8585.8 Ų85.845%0.44546%0.457SS..Hα-helixtrans-69.2-31.6178.3-63.5175.8000112.6L186 L190 M195 V259 A260L186-L263 HydrophobicContact CD2-CD2 4.35Å; L190-L263 HydrophobicContact CD1-CD2 4.09Å; M195-L263 HydrophobicContact CE-CD1 4.49Å; V259-L263 HydrophobicContact CG1-CD1 4.44Å; V259-L263 HydrophobicContact CG1-CG 4.47Å; V259-L263 WeakPolarHBondContact O-CG 3.26Å; V259-L263 PolarHBondContact O-N 3.06Å; A260-L263 PolarHBondContact O-N 3.41Å
264A90.9Very high87.7Confident63 Ų6392.6 Ų92.652%0.52148%0.477SS..Hα-helixtrans-76.9-2217500000113.1A260 H261 L262 R266A260-A264 WeakPolarHBondContact O-CB 3.38Å; A260-A264 PolarHBondContact O-N 2.89Å; H261-A264 PolarHBondContact O-N 3.1Å; L262-A264 VanDerWaalsContact C-N 3.33Å; A264-R266 PolarHBondContact O-NH1 2.88Å
265A92.4Very high86.5Confident13 Ų1391.8 Ų91.811%0.10748%0.484CS..  trans-60.8143-175.500000112.5L185 H261 L262L185-A265 HydrophobicContact CB-CB 4.09Å; L185-A265 HydrophobicContact CD2-CB 4.15Å; L185-A265 PolarHBondContact N-O 3.35Å; H261-A265 PolarHBondContact O-N 3.43Å; L262-A265 WeakPolarHBondContact O-CB 3.47Å; L262-A265 PolarHBondContact O-N 3.35Å
266R92.5Very high85.7Confident70 Ų7094.1 Ų94.126%0.26450%0.5SS..BIsolated β-bridgetrans-112.5163179.5-62-63.5179.8-112.96110.7V181 G182 E183 A264 D268 F269V181-R266 WeakPolarHBondContact O-CD 3.49Å; V181-R266 WeakPolarHBondContact O-CG 3.48Å; V181-R266 PolarHBondContact O-NE 3.48Å; G182-R266 WeakPolarHBondContact O-CD 3.3Å; E183-R266 CarbonylContact O-C 3.2Å; E183-R266 VanDerWaalsContact O-CA 3.28Å; E183-R266 WeakPolarHBondContact O-CA 3.41Å; E183-R266 WeakPolarHBondContact O-CD 3.49Å; A264-R266 PolarHBondContact O-NH1 2.88Å; R266-D268 VanDerWaalsContact C-OD1 3.29Å; R266-D268 WeakPolarHBondContact CB-OD1 3.33Å; R266-D268 PolarHBondContact O-N 3.37Å; R266-D268 VanDerWaalsContact O-N 3.13Å; R266-F269 WeakPolarHBondContact O-CB 3.25Å; R266-F269 PolarHBondContact O-N 3.28Å
267Q91.1Very high84.8Confident96 Ų9690.2 Ų90.245%0.44948%0.482SS..G310 helixtrans-58.9-26-174.7-74.8-1761.400113.9E183 F269 S270E183-Q267 HydrophobicContact CB-CG 3.97Å; E183-Q267 PolarHBondContact O-N 2.84Å; Q267-F269 PolarHBondContact O-N 3.27Å; Q267-S270 WeakPolarHBondContact O-CB 3.34Å; Q267-S270 PolarHBondContact O-N 3.07Å; Q267-S270 PolarHBondContact O-OG 3.28Å
268D86.3Confident83.9Confident94 Ų9487.5 Ų87.550%0.50348%0.476SS..G310 helixtrans-61-29.7174.263.3-24.6000113R266 S270 K271R266-D268 VanDerWaalsContact C-OD1 3.29Å; R266-D268 WeakPolarHBondContact CB-OD1 3.33Å; R266-D268 PolarHBondContact O-N 3.37Å; R266-D268 VanDerWaalsContact O-N 3.13Å; D268-S270 PolarHBondContact O-N 2.84Å; D268-K271 VanDerWaalsContact O-CB 3.31Å; D268-K271 WeakPolarHBondContact O-CB 3.49Å; D268-K271 PolarHBondContact O-N 2.75Å
269F86.3Confident82.9Confident152 Ų15292.1 Ų92.167%0.66749%0.491SS*.G310 helixtrans-64.5-18.1172.5-78.6-93.2000113.6R266 Q267 K271R266-F269 WeakPolarHBondContact O-CB 3.25Å; R266-F269 PolarHBondContact O-N 3.28Å; Q267-F269 PolarHBondContact O-N 3.27Å; F269-K271 PolarHBondContact O-N 3.33Å
270S85.2Confident81.9Confident76 Ų7693.8 Ų93.853%0.53150%0.499SS..G310 helixtrans-73.2-16.617380.80000112.5Q267 D268 I272Q267-S270 WeakPolarHBondContact O-CB 3.34Å; Q267-S270 PolarHBondContact O-N 3.07Å; Q267-S270 PolarHBondContact O-OG 3.28Å; D268-S270 PolarHBondContact O-N 2.84Å; S270-I272 PolarHBondContact O-N 3.12Å; S270-I272 VanDerWaalsContact O-N 3.14Å
271K83.4Confident81Confident152 Ų15295.4 Ų95.466%0.66149%0.491SS*.SBendtrans-8391.2179-58178.1-177.2174.50109.6D268 F269 L273D268-K271 VanDerWaalsContact O-CB 3.31Å; D268-K271 WeakPolarHBondContact O-CB 3.49Å; D268-K271 PolarHBondContact O-N 2.75Å; F269-K271 PolarHBondContact O-N 3.33Å; K271-L273 PolarHBondContact O-N 3.29Å
272I77.8Confident80Confident158 Ų15897.2 Ų97.281%0.8150%0.5SS*.  trans-70.198.1174.6-56.1175.5000109.2S270 R274S270-I272 PolarHBondContact O-N 3.12Å; S270-I272 VanDerWaalsContact O-N 3.14Å; I272-R274 PolarHBondContact O-N 3.45Å
273L73Confident79Confident131 Ų131102.8 Ų102.869%0.68652%0.522SS*.  trans-72.8123.3171.6-65.9174.2000109.3K271 T275 I280K271-L273 PolarHBondContact O-N 3.29Å; L273-T275 PolarHBondContact O-N 3.44Å; L273-I280 HydrophobicContact CB-CD1 4.08Å
274R74.7Confident77.9Confident192 Ų192103 Ų10373%0.72553%0.526SS*.  trans-62.8125.3173.9-69.8-174.6177.9-175.2-0.7109I272 S276 S277I272-R274 PolarHBondContact O-N 3.45Å; R274-S276 PolarHBondContact O-N 3.15Å; R274-S276 VanDerWaalsContact O-N 3.13Å; R274-S277 WeakPolarHBondContact O-CB 3.29Å; R274-S277 PolarHBondContact O-N 2.76Å; R274-S277 PolarHBondContact O-OG 3.02Å
275T67.9Low76.7Confident122 Ų122103.1 Ų103.175%0.74853%0.527SS*.THydrogen-bonded Turntrans-58-23.8173.619.50000112.9L273 S277L273-T275 PolarHBondContact O-N 3.44Å; T275-S277 VanDerWaalsContact C-N 3.31Å
276S69.4Low75.6Confident88 Ų88105.4 Ų105.462%0.61554%0.542SS*.THydrogen-bonded Turntrans-82.3-0.2172.856.70000114.8R274R274-S276 PolarHBondContact O-N 3.15Å; R274-S276 VanDerWaalsContact O-N 3.13Å
277S71.6Confident74.5Confident35 Ų35106.1 Ų106.125%0.24556%0.563CS.*SBendtrans-65.1145.618063.80000111.8R274 T275 K279 I280 R281R274-S277 WeakPolarHBondContact O-CB 3.29Å; R274-S277 PolarHBondContact O-N 2.76Å; R274-S277 PolarHBondContact O-OG 3.02Å; T275-S277 VanDerWaalsContact C-N 3.31Å; S277-K279 VanDerWaalsContact C-N 3.27Å; S277-K279 PolarHBondContact O-N 3.41Å; S277-I280 PolarHBondContact O-N 3.42Å; S277-I280 VanDerWaalsContact O-N 3.1Å; S277-I280 WeakPolarHBondContact OG-CG1 3.35Å; S277-R281 PolarHBondContact O-N 2.98Å
278G71Confident73.2Confident34 Ų34108.8 Ų108.835%0.35158%0.579SS.*Hα-helixtrans-52.6-44.8178.400000112.5I280 R281 E282G278-I280 VanDerWaalsContact C-N 3.3Å; G278-I280 PolarHBondContact O-N 2.88Å; G278-R281 PolarHBondContact O-N 3.43Å; G278-R281 VanDerWaalsContact O-N 3.08Å; G278-E282 WeakPolarHBondContact O-CG 3.33Å; G278-E282 PolarHBondContact O-N 3.21Å
279K71.9Confident72.1Confident140 Ų140108.9 Ų108.961%0.60958%0.579SS**Hα-helixtrans-57.8-35.4178.7-69.3-176.9179.2176.10114.1S277S277-K279 VanDerWaalsContact C-N 3.27Å; S277-K279 PolarHBondContact O-N 3.41Å
280I71.1Confident71.1Confident52 Ų52109.1 Ų109.127%0.26758%0.58SS.*Hα-helixtrans-80.7-38.9176.5-66.1179.4000110.3L273 S277 G278 K283 T284L273-I280 HydrophobicContact CB-CD1 4.08Å; S277-I280 PolarHBondContact O-N 3.42Å; S277-I280 VanDerWaalsContact O-N 3.1Å; S277-I280 WeakPolarHBondContact OG-CG1 3.35Å; G278-I280 VanDerWaalsContact C-N 3.3Å; G278-I280 PolarHBondContact O-N 2.88Å; I280-K283 PolarHBondContact O-N 3.09Å; I280-T284 PolarHBondContact O-N 3.4Å; I280-T284 PolarHBondContact O-OG1 3.16Å
281R71.3Confident70.4Confident97 Ų97110.4 Ų110.437%0.36658%0.584SS.*Hα-helixtrans-67.6-35.8179.6-70.5-165.373.7-176.71.6113.6S277 G278 K283 T284 A285 L292S277-R281 PolarHBondContact O-N 2.98Å; G278-R281 PolarHBondContact O-N 3.43Å; G278-R281 VanDerWaalsContact O-N 3.08Å; R281-K283 PolarHBondContact O-N 3.07Å; R281-T284 WeakPolarHBondContact CA-OG1 3.38Å; R281-T284 PolarHBondContact O-N 3.03Å; R281-T284 VanDerWaalsContact O-N 3.15Å; R281-A285 PolarHBondContact O-N 2.76Å; R281-L292 HydrophobicContact CB-CD1 3.53Å
282E71.6Confident69.8Low125 Ų125106.6 Ų106.658%0.58457%0.571SS**Hα-helixtrans-55.1-37.5172.8-76.9168.6-165.500111.8G278 L292G278-E282 WeakPolarHBondContact O-CG 3.33Å; G278-E282 PolarHBondContact O-N 3.21Å; E282-L292 HydrophobicContact CG-CD2 3.62Å
283K70Confident69.3Low184 Ų184105.3 Ų105.380%0.856%0.563SS**THydrogen-bonded Turntrans-91.1-4.3-177.9-60.4-175.4-179.2-175.40114.2I280 R281I280-K283 PolarHBondContact O-N 3.09Å; R281-K283 PolarHBondContact O-N 3.07Å
284T66.6Low69.3Low88 Ų88101.9 Ų101.954%0.5456%0.56SS.*THydrogen-bonded Turntrans-12219.9-177.749.10000112.7I280 R281 C286I280-T284 PolarHBondContact O-N 3.4Å; I280-T284 PolarHBondContact O-OG1 3.16Å; R281-T284 WeakPolarHBondContact CA-OG1 3.38Å; R281-T284 PolarHBondContact O-N 3.03Å; R281-T284 VanDerWaalsContact O-N 3.15Å; T284-C286 PolarHBondContact O-N 2.72Å
285A65.7Low69.2Low66 Ų66104.5 Ų104.555%0.54557%0.569SS.*  trans-57131.9171.500000110.2R281 N289R281-A285 PolarHBondContact O-N 2.76Å; A285-N289 WeakPolarHBondContact CA-O 3.09Å
286C68.6Low69.6Low61 Ų61102.5 Ų102.541%0.41256%0.557SS.*  trans-137.9172.5178.276.20000110.4T284 I288 N289 K290T284-C286 PolarHBondContact O-N 2.72Å; C286-I288 PolarHBondContact O-N 2.69Å; C286-N289 PolarHBondContact N-O 2.98Å; C286-N289 CarbonylContact O-C 3.35Å; C286-N289 PolarHBondContact O-N 3.44Å; C286-N289 VanDerWaalsContact O-N 3.1Å; C286-N289 PolarHBondContact SG-N 3.34Å; C286-N289 VanDerWaalsContact SG-N 3.38Å; C286-K290 WeakPolarHBondContact O-CG 3.46Å; C286-K290 PolarHBondContact O-N 3.14Å
287A70.6Confident70Confident85 Ų85103.1 Ų103.170%0.70256%0.559SS**SBendtrans-55.7-22.4-178.300000114K290A287-K290 WeakPolarHBondContact O-CE 3.34Å
288I62.5Low70.4Confident153 Ų153106.3 Ų106.379%0.78557%0.573SS**SBendtrans-92.9-45176.5-57.2172.4000110.8C286C286-I288 PolarHBondContact O-N 2.69Å
289N63.2Low70.8Confident96 Ų96115.3 Ų115.351%0.51360%0.597SS.*SBendtrans-105.173-179.2-72.3-30.3000110.6A285 C286A285-N289 WeakPolarHBondContact CA-O 3.09Å; C286-N289 PolarHBondContact N-O 2.98Å; C286-N289 CarbonylContact O-C 3.35Å; C286-N289 PolarHBondContact O-N 3.44Å; C286-N289 VanDerWaalsContact O-N 3.1Å; C286-N289 PolarHBondContact SG-N 3.34Å; C286-N289 VanDerWaalsContact SG-N 3.38Å
290K65.1Low71.2Confident156 Ų156110.5 Ų110.568%0.67859%0.586SS**  trans-82.8-32-175.7-63.2-175-175.8-178.30114.2C286 A287C286-K290 WeakPolarHBondContact O-CG 3.46Å; C286-K290 PolarHBondContact O-N 3.14Å; A287-K290 WeakPolarHBondContact O-CE 3.34Å
291V71.5Confident71.6Confident103 Ų103110.7 Ų110.762%0.62460%0.601SS**  trans-104.9119.7-168.6-175.80000110.4M293V291-M293 HydrophobicContact CG1-SD 4.3Å; V291-M293 PolarHBondContact O-N 3.35Å
292L70.3Confident72.2Confident73 Ų73112.6 Ų112.638%0.38261%0.608SS.*  trans-79.8107.8164.2-174.272.4000108.1R281 E282 G294R281-L292 HydrophobicContact CB-CD1 3.53Å; E282-L292 HydrophobicContact CG-CD2 3.62Å; L292-G294 PolarHBondContact O-N 3.4Å
293M67.8Low72.3Confident130 Ų130112.2 Ų112.264%0.6462%0.616SS**  trans-65.3123.6171.4-63.5-66.8-92.900108V291 V296V291-M293 HydrophobicContact CG1-SD 4.3Å; V291-M293 PolarHBondContact O-N 3.35Å; M293-V296 HydrophobicContact CB-CG2 4.48Å
294G73.1Confident72.6Confident60 Ų60109.5 Ų109.562%0.61962%0.619SS**  trans-64.8-165.9175.300000112.2L292 V296L292-G294 PolarHBondContact O-N 3.4Å; G294-V296 PolarHBondContact O-N 3.02Å
295R72.9Confident73.2Confident247 Ų247110.2 Ų110.293%0.93262%0.617SS**  trans-60.3103.3177.2-166.7178.9-168.7-159.72109.7P297R295-P297 WeakPolarHBondContact O-CD 3.28Å
296V75.6Confident73.8Confident80 Ų80112 Ų11249%0.48562%0.616SS.*PPolyproline II helixtrans-75.4120174-176.10000107M293 G294M293-V296 HydrophobicContact CB-CG2 4.48Å; G294-V296 PolarHBondContact O-N 3.02Å
297P78.5Confident74.1Confident101 Ų101117.4 Ų117.466%0.65664%0.635SS**PPolyproline II helixtrans-55142.8173.9-23.834.2000109.9R295 R299R295-P297 WeakPolarHBondContact O-CD 3.28Å; P297-R299 PolarHBondContact O-N 3.5Å
298D78.6Confident74.3Confident102 Ų102118.2 Ų118.255%0.54563%0.633SS.*PPolyproline II helixtrans-58.1124.9174.7-159.2-19.6000108.5G300 R302D298-G300 VanDerWaalsContact C-N 3.28Å; D298-G300 PolarHBondContact OD1-N 3.26Å; D298-G300 VanDerWaalsContact OD1-N 3.07Å; D298-R302 IonicContact OD2-CZ 2.73Å; D298-R302 IonicContact OD2-NE 3.9Å; D298-R302 IonicContact OD2-NH2 3.53Å; D298-R302 PolarHBondContact OD2-NH2 3.2Å
299R80.1Confident74.8Confident223 Ų223115.9 Ų115.984%0.84263%0.628SS**  trans-924.4-179.7-66.1-174.2178.1161.4-2.4111.7P297P297-R299 PolarHBondContact O-N 3.5Å
300G81.1Confident75.4Confident38 Ų38116.4 Ų116.439%0.39264%0.637SS.*  trans65.4-163.3-176.300000112D298D298-G300 VanDerWaalsContact C-N 3.28Å; D298-G300 PolarHBondContact OD1-N 3.26Å; D298-G300 VanDerWaalsContact OD1-N 3.07Å
301G78.9Confident75.9Confident56 Ų56114.7 Ų114.758%0.57764%0.642SS**  trans80.216.8177.300000113.7
302R84.7Confident75.9Confident138 Ų138119 Ų11952%0.52166%0.655SS.*  trans-62.6136.3167.3-56.9-171.6-167.9-170.94107.5D298 C304 E305 I306D298-R302 IonicContact OD2-CZ 2.73Å; D298-R302 IonicContact OD2-NE 3.9Å; D298-R302 IonicContact OD2-NH2 3.53Å; D298-R302 PolarHBondContact OD2-NH2 3.2Å; R302-C304 PolarHBondContact O-N 3.21Å; R302-E305 HydrophobicContact CB-CB 4.3Å; R302-E305 HydrophobicContact CB-CG 3.96Å; R302-E305 WeakPolarHBondContact CD-OE1 3.45Å; R302-E305 HydrophobicContact CG-CG 4.49Å; R302-E305 IonicContact NE-OE1 2.9Å; R302-E305 PolarHBondContact NE-OE1 3.24Å; R302-E305 PolarHBondContact O-N 3.34Å; R302-I306 PolarHBondContact O-N 2.96Å
303P72.9Confident75.9Confident116 Ų116121.6 Ų121.675%0.75367%0.666SS**THydrogen-bonded Turntrans-53.9-22176.7-28.635.5000114.1
304C75.4Confident76Confident128 Ų128120.9 Ų120.987%0.86567%0.672SS**THydrogen-bonded Turntrans-82.4-15.8176.1-48.80000114.5R302R302-C304 PolarHBondContact O-N 3.21Å
305E80.9Confident75.6Confident103 Ų103122.8 Ų122.848%0.48168%0.676SS.*THydrogen-bonded Turntrans-101-12.7-179.9-67.1166.6-176.500112R302 E307R302-E305 HydrophobicContact CB-CB 4.3Å; R302-E305 HydrophobicContact CB-CG 3.96Å; R302-E305 WeakPolarHBondContact CD-OE1 3.45Å; R302-E305 HydrophobicContact CG-CG 4.49Å; R302-E305 IonicContact NE-OE1 2.9Å; R302-E305 PolarHBondContact NE-OE1 3.24Å; R302-E305 PolarHBondContact O-N 3.34Å; E305-E307 PolarHBondContact O-N 3.25Å
306I77.4Confident75.1Confident103 Ų103122 Ų12253%0.52867%0.673SS.*SBendtrans-81.4116.9176.1-62.4169.5000107.2R302R302-I306 PolarHBondContact O-N 2.96Å
307E75.7Confident74.7Confident174 Ų174126.1 Ų126.181%0.81369%0.687SS**PPolyproline II helixtrans-58.6127170.5-165.4169.7-167.700108.2E305E305-E307 PolarHBondContact O-N 3.25Å
308P74.4Confident74Confident103 Ų103129.6 Ų129.667%0.66969%0.691SS**PPolyproline II helixtrans-56137.9178.422.2-31.1000108.5
309P73.2Confident73.4Confident103 Ų103135.5 Ų135.567%0.66971%0.706SS**PPolyproline II helixtrans-53.6141.3-179.822.3-32.2000109.1
310P75.9Confident72.5Confident108 Ų108134.2 Ų134.270%0.70171%0.71SS**PPolyproline II helixtrans-48.5136.5175.1-25.132.4000109.1E312P310-E312 PolarHBondContact O-N 3.27Å
311P74.1Confident71.5Confident120 Ų120138.7 Ų138.778%0.77973%0.725SS**  trans-54.4108.7177.6-22.631.3000109.6M313P311-M313 PolarHBondContact O-N 2.86Å; P311-M313 VanDerWaalsContact O-N 3.11Å
312E71.9Confident70.4Confident192 Ų192140.2 Ų140.290%0.89773%0.732SS**SBendtrans-67.1-10.1-179.1-69.8-173.3167.700112.5P310P310-E312 PolarHBondContact O-N 3.27Å
313M70.7Confident68.6Low128 Ų128139.9 Ų139.963%0.63175%0.748SS**SBendtrans-119133.5174.7-80.4179.85100111.1P311 S315P311-M313 PolarHBondContact O-N 2.86Å; P311-M313 VanDerWaalsContact O-N 3.11Å; M313-S315 PolarHBondContact O-N 2.64Å
314P69.4Low67.7Low116 Ų116144 Ų14475%0.75376%0.757SS**  trans-52.9140.4168-20.930.5000110.3W316P314-W316 PolarHBondContact O-N 3.34Å; P314-W316 VanDerWaalsContact O-N 3.17Å
315S66Low65.9Low100 Ų100141.2 Ų141.270%0.69975%0.75SS**  trans-51.9124.7171.853.50000109.1M313 Q317M313-S315 PolarHBondContact O-N 2.64Å; S315-Q317 PolarHBondContact O-N 3.33Å
316W61.2Low63.9Low229 Ų229140.3 Ų140.387%0.86777%0.768SS**  trans-51.7104.2176.3-100.876.3000109.8P314P314-W316 PolarHBondContact O-N 3.34Å; P314-W316 VanDerWaalsContact O-N 3.17Å
317Q67.6Low61.8Low167 Ų167139.1 Ų139.178%0.7878%0.781SS**PPolyproline II helixtrans-79.3123.7170.9-77.7174.1-26.600107.9S315 R319S315-Q317 PolarHBondContact O-N 3.33Å; Q317-R319 PolarHBondContact O-N 3.07Å
318K63.8Low59.8Low174 Ų174138.8 Ų138.876%0.75778%0.779SS**PPolyproline II helixtrans-58.2124.5169.9-164.8-175.4-179.3-156.60107.1Q320 D321K318-Q320 PolarHBondContact O-N 3.44Å; K318-D321 IonicContact NZ-OD2 3.79Å
319R66.1Low57.9Low227 Ų227144.3 Ų144.386%0.85779%0.789SS**PPolyproline II helixtrans-55.1134174.9-66.8-178.8-176.5-117.3-0107.9Q317 D321Q317-R319 PolarHBondContact O-N 3.07Å; R319-D321 PolarHBondContact O-N 3.15Å
320Q61.1Low56Low195 Ų195145 Ų14591%0.91180%0.796SS**PPolyproline II helixtrans-56.1124.5173.6-79.1176.5-900108.4K318K318-Q320 PolarHBondContact O-N 3.44Å
321D59.3Low54Low132 Ų132143 Ų14371%0.70680%0.795SS**PPolyproline II helixtrans-63.4134170.5-69.3-49.5000107.9K318 R319K318-D321 IonicContact NZ-OD2 3.79Å; R319-D321 PolarHBondContact O-N 3.15Å
322A57.2Low51.9Low88 Ų88142.7 Ų142.773%0.72780%0.796SS**PPolyproline II helixtrans-59.2148.7-179.600000110.6Q324A322-Q324 PolarHBondContact O-N 2.97Å
323P47.5Very low50.1Low132 Ų132142.7 Ų142.786%0.85780%0.795SS**PPolyproline II helixtrans-56.5127.5178.6-17.428.6000109.8G325P323-G325 PolarHBondContact O-N 3.43Å
324Q53Low48.2Very low202 Ų202140.5 Ų140.594%0.94481%0.805SS**  trans-68.382.6179.1-163.5170.310.900109.6A322A322-Q324 PolarHBondContact O-N 2.97Å
325G38.5Very low46.5Very low70 Ų70138.9 Ų138.972%0.72281%0.81SS**  trans-91.4121.2167.100000109.4P323P323-G325 PolarHBondContact O-N 3.43Å
326G37.8Very low45Very low83 Ų83139.7 Ų139.786%0.85682%0.815SS**  trans-63.3164.4-173.500000115.4
327G33.9Very low43.6Very low79 Ų79141 Ų14181%0.81482%0.82SS**  trans163.6117.617100000112.6
328H33.1Very low42Very low166 Ų166136.3 Ų136.377%0.76982%0.816SS**  trans-63.5179178.2-70.7-85.7000114.8
329Y34.7Very low40.4Very low220 Ų220131.2 Ų131.286%0.86381%0.814SS**  trans94.6106.3162.7-55.1-76000114.9
330S34.2Very low38.7Very low117 Ų117130.8 Ų130.882%0.81881%0.814SS**  89.4119.972.21750000112.3
331G32.6Very low37.5Very low67 Ų67128.6 Ų128.669%0.69181%0.808SS**  trans102.1125.5130.400000118.4
332S31.1Very low36.4Very low113 Ų113128 Ų12879%0.7981%0.814SS**  trans73.4112.7133-79.60000121.3
333H32.5Very low35.1Very low192 Ų192132.7 Ų132.789%0.88982%0.818SS**  48.5119.9110.9-90.878.7000119.2
334G31.8Very low34.5Very low82 Ų82132.4 Ų132.485%0.84582%0.82SS**  104.9141121.700000116.5
335G34.3Very low33.6Very low82 Ų82133.8 Ų133.885%0.84582%0.818SS**  trans14283.9155.300000115.9
336S33.2Very low33.5Very low116 Ų116134.2 Ų134.281%0.81182%0.822SS**  trans-65.6165.2158.6-60.90000112.9
337R32.6Very low33.2Very low257 Ų257133.8 Ų133.897%0.9782%0.818SS**  trans102.8133.1167.3-67.7176.9164.1174.2-4.3113.7
338G32.9Very low33Very low68 Ų68141.9 Ų141.970%0.70182%0.824SS**  cis157.21625.700000110.2
339G30.8Very low32.9Very low68 Ų68138.4 Ų138.470%0.70182%0.824SS**  trans78.2150.2164.700000115.3
340Y31.7Very low32.8Very low218 Ų218130.1 Ų130.186%0.85581%0.805SS**  cis-168.9144.815.922.4-95.7000107.8
341D34.8Very low32.8Very low149 Ų149134.5 Ų134.580%0.79781%0.805SS**  trans-63.4147167.5-68.6-70.6000112.1
342S35.5Very low32.8Very low120 Ų120140.3 Ų140.384%0.83982%0.815SS**  trans-149.6115.9151.2-153.80000110.7
343F30.6Very low33.1Very low185 Ų185146.7 Ų146.781%0.81182%0.821SS**  trans-65.5142.3167.4-72.4-97000110.3
344S35.9Very low33.1Very low126 Ų126141 Ų14188%0.88182%0.815SS**  trans-149.4139.9144.8-153.10000112.2
345Y32.9Very low33.2Very low232 Ų232141.1 Ų141.191%0.9182%0.816SS**  trans-71.2151.5-169.3-98.4-114.7000114.2
346G36Very low32.9Very low78 Ų78141 Ų14180%0.80481%0.814SS**  trans160.7119.7157.100000108.2
347G32.3Very low32.8Very low75 Ų75139.6 Ų139.677%0.77382%0.818SS**  cis148.2107.61400000106.4
348R30.5Very low32.6Very low249 Ų249130.6 Ų130.694%0.9481%0.806SS**  trans65.5123.6151.8-120.4-178.6-178.9-159.3-0.3121.2
349A30.6Very low32.5Very low92 Ų92135 Ų13576%0.7681%0.808SS**  trans85122.4133.600000119.9
350G32.7Very low32.4Very low46 Ų46138.6 Ų138.647%0.47481%0.806SS.*  trans156.783.7137.100000118.2
351Y33.8Very low32.5Very low209 Ų209133 Ų13382%0.8279%0.791SS**  trans61.198.214311.8-88.7000120.4
352E31.3Very low32.4Very low190 Ų190136.5 Ų136.589%0.88879%0.793SS**  22.6111.9119.7-74.9160.3129.500120.1
353R37.8Very low32.1Very low246 Ų246134.6 Ų134.693%0.92879%0.793SS**  -156.2104.9104.1-120.5-178.6-174.5-1401.7106
354G33.5Very low32Very low73 Ų73130.5 Ų130.575%0.75379%0.793SS**  64.188.881.300000107.4
355G32.8Very low31.8Very low85 Ų85136.6 Ų136.688%0.87680%0.797SS**  89.3128.36200000107.3
356G29.8Very low31.6Very low78 Ų78129.4 Ų129.480%0.80479%0.793SS**  cis168.9173.35.500000107.9
357G29.9Very low31.3Very low87 Ų87133 Ų13390%0.89780%0.799SS**  trans75.5126.4156.100000115.9
358G28.9Very low31.1Very low69 Ų69133.2 Ų133.271%0.71180%0.801SS**  cis138.9144.810.700000109.5
359H30Very low31.1Very low161 Ų161124.8 Ų124.875%0.74579%0.792SS**  trans68142.8155.6-88.7-138000117.1
360E29.6Very low30.9Very low142 Ų142132.6 Ų132.666%0.66480%0.801SS**  cis-166.4152.57.7-119.3160.8163.600103.1
361D32.9Very low30.8Very low102 Ų102134.5 Ų134.555%0.54582%0.821SS.*  -17514068-129.8-29.2000110.3
362R33Very low30.6Very low222 Ų222128.5 Ų128.584%0.83882%0.823SS**  trans61.7120.3147-76.6167.8-128.6-1758.5122.6
363G29Very low30.5Very low80 Ų80129.4 Ų129.483%0.82582%0.824SS**  135.280.8107.700000117
364A29.8Very low30Very low98 Ų98125.2 Ų125.281%0.8183%0.825SS**  trans-65.8154.9176.800000115.5
365R31.5Very low29.9Very low255 Ų255130.4 Ų130.496%0.96283%0.83SS**  -169126.4124.5-104.8174.2-171.6-178.43.5112.4
366G28.9Very low29.7Very low81 Ų81130 Ų13084%0.83583%0.826SS**  trans11375.5136.100000118.6
367V28.7Very low29.5Very low154 Ų154131 Ų13193%0.93382%0.821SS**  trans-73.8151.6166.2169.90000111.4
368G27.8Very low29.2Very low79 Ų79138.4 Ų138.481%0.81482%0.822SS**  trans17875.2159.200000115.2
369G30.1Very low29.1Very low72 Ų72138.4 Ų138.474%0.74282%0.822SS**  trans-89.5152.5165.800000112.4
370R28.4Very low28.9Very low255 Ų255140.5 Ų140.596%0.96283%0.832SS**  trans-162.5130.6149.9-109.4177.7-172.4-160.81.9110
371G30Very low28.7Very low86 Ų86137.3 Ų137.389%0.88784%0.837SS**  trans-88.4-180-178.900000114.7
372G28.9Very low28.5Very low84 Ų84137.6 Ų137.687%0.86685%0.854SS**  trans179118.416900000111.5
373K28.9Very low28.2Very low209 Ų209131.3 Ų131.391%0.90986%0.858SS**  trans-85.8141.3170.6-64175.8177.1178.10109.7
374V27.8Very low28.2Very low157 Ų157131.1 Ų131.195%0.95286%0.856SS**  trans-149.1156.4147.4-177.60000109
375Q31.1Very low28.1Very low182 Ų182130.3 Ų130.385%0.8586%0.857SS**  trans-121.9147.9-151.1172.4-1745.400112.5
376G29.6Very low28.1Very low77 Ų77130.2 Ų130.279%0.79486%0.857SS**  trans80.2154.9152.500000118.1
377S24.5Very low28.1Very low99 Ų99129.7 Ų129.769%0.69285%0.852SS**  cis-177.9162.6-4.1-179.50000108.7
378W24.7Very low28Very low242 Ų242126 Ų12692%0.91784%0.844SS**  trans118.6118158.8-63.4101.9000117.9
379G25.7Very low27.9Very low69 Ų69133.1 Ų133.171%0.71185%0.848SS**  trans-69.2-174.416200000111.9
380E27.1Very low27.9Very low206 Ų206135.6 Ų135.696%0.96385%0.854SS**  cis-148.2167.530.8-68.7172.6117.400110.2
381G24.7Very low28Very low75 Ų75131.6 Ų131.677%0.77385%0.846SS**  trans135.2119.6144.600000117.7
382A28.3Very low27.9Very low108 Ų108130.5 Ų130.589%0.89384%0.835SS**  trans83.182.9159.900000118.4
383G26.7Very low27.8Very low89 Ų89134.6 Ų134.692%0.91883%0.831SS**  trans-69.2130155.500000111.8
384G29.1Very low27.7Very low76 Ų76135.4 Ų135.478%0.78483%0.83SS**  trans-122.5126.4169.300000109.3
385G27.5Very low27.9Very low82 Ų82136.5 Ų136.585%0.84583%0.825SS**  trans-65.5150-16100000117
386R31.2Very low27.8Very low252 Ų252134.7 Ų134.795%0.95182%0.821SS**  trans-103.5114.8156.9-83.2-173.9173.6-158.9-1.2109.2
387G28.7Very low27.8Very low71 Ų71137.4 Ų137.473%0.73282%0.822SS**  trans-61.4152.2178.900000113.9
388G27.3Very low28Very low75 Ų75135.8 Ų135.877%0.77382%0.821SS**  trans-73.7151.1-169.500000115.3S390G388-S390 PolarHBondContact O-N 3.45Å
389Y26.6Very low28.1Very low230 Ų230130.8 Ų130.890%0.90281%0.812SS**  trans-83.399.7164.1-61.7-86.7000107.7Q391Y389-Q391 PolarHBondContact O-N 3.41Å
390S29.4Very low28.4Very low124 Ų124138.3 Ų138.387%0.86782%0.821SS**  trans-68112.7171.4-153.20000109G388 G392G388-S390 PolarHBondContact O-N 3.45Å; S390-G392 PolarHBondContact O-N 2.86Å; S390-G392 VanDerWaalsContact O-N 3.12Å
391Q29.8Very low28.5Very low171 Ų171137.2 Ų137.280%0.79982%0.815SS**  trans-77.190174.1-163.4178.829.400108Y389 H393Y389-Q391 PolarHBondContact O-N 3.41Å; Q391-H393 PolarHBondContact O-N 3.27Å; Q391-H393 VanDerWaalsContact O-N 3.15Å
392G27.2Very low28.8Very low62 Ų62137.2 Ų137.264%0.63982%0.815SS**  trans-68.4106.3172.500000110.7S390 Y394S390-G392 PolarHBondContact O-N 2.86Å; S390-G392 VanDerWaalsContact O-N 3.12Å; G392-Y394 PolarHBondContact O-N 2.94Å
393H27.2Very low28.8Very low171 Ų171136.1 Ų136.179%0.79282%0.815SS**  trans-64.3106164-86.4-69.9000109.6Q391Q391-H393 PolarHBondContact O-N 3.27Å; Q391-H393 VanDerWaalsContact O-N 3.15Å
394Y27.8Very low28.9Very low225 Ų225135.8 Ų135.888%0.88281%0.811SS**  trans-86.3108.2159.5-92.3-91.6000108.2G392 D396G392-Y394 PolarHBondContact O-N 2.94Å; Y394-D396 PolarHBondContact O-N 3.21Å
395Q31.4Very low28.9Very low181 Ų181136.2 Ų136.285%0.84682%0.816SS**  trans-72.9110.9161.5-103.7166.3-16.900107.8T397Q395-T397 PolarHBondContact O-N 3.02Å
396D28.6Very low29Very low143 Ų143144.5 Ų144.577%0.76582%0.821SS**  trans-69.9100.7163.7-102.9-44.1000107.7Y394 G398Y394-D396 PolarHBondContact O-N 3.21Å; D396-G398 PolarHBondContact O-N 3.18Å; D396-G398 VanDerWaalsContact O-N 3.15Å
397T29.2Very low29Very low135 Ų135136.2 Ų136.283%0.82882%0.815SS**  trans-7493.8165.316.30000109.4Q395Q395-T397 PolarHBondContact O-N 3.02Å
398G30.6Very low28.9Very low64 Ų64135.9 Ų135.966%0.6681%0.811SS**  trans-82.6106.1163.200000110.2D396 Y400D396-G398 PolarHBondContact O-N 3.18Å; D396-G398 VanDerWaalsContact O-N 3.15Å; G398-Y400 PolarHBondContact O-N 2.98Å
399N26.9Very low28.9Very low137 Ų137143.8 Ų143.873%0.73382%0.82SS**  trans-80101.2177.7-135.746.3000109.6
400Y30.3Very low29.1Very low227 Ų227140 Ų14089%0.8982%0.82SS**  trans-86.1114.3163.4-87.9-90.3000108.6G398G398-Y400 PolarHBondContact O-N 2.98Å
401H30.5Very low29.1Very low183 Ų183137.9 Ų137.985%0.84782%0.819SS**  trans-78.5115.6165.9-92.2-60.5000109.4
402G29.5Very low28.9Very low75 Ų75134 Ų13477%0.77382%0.824SS**  trans-170.190.7172.700000112.5
403G28.6Very low28.9Very low86 Ų86134.7 Ų134.789%0.88783%0.832SS**  trans74.3126.814800000119.1
404G29.9Very low28.9Very low81 Ų81131.1 Ų131.184%0.83583%0.831SS**  trans138.452.5154.700000116.9R406G404-R406 PolarHBondContact O-N 2.99Å
405G28.8Very low29Very low86 Ų86127.1 Ų127.189%0.88783%0.825SS**  trans-78.696.1167.700000111.5
406R30.3Very low28.9Very low255 Ų255127.1 Ų127.196%0.96283%0.825SS**  trans-86.596.3156.9-86.4-173.4176.4-165.9-0.6108G404G404-R406 PolarHBondContact O-N 2.99Å
407G29.8Very low28.9Very low79 Ų79124.1 Ų124.181%0.81483%0.828SS**  trans-85.8118.5165.200000109.5
408G27.9Very low28.8Very low64 Ų64121.1 Ų121.166%0.6683%0.825SS**  trans-87.5123.4163.100000109
409Y27.7Very low28.6Very low241 Ų241128 Ų12895%0.94584%0.837SS**  trans-156.3106.8149.4-87.9-72.5000107.8
410T29Very low28.8Very low149 Ų149130.7 Ų130.791%0.91485%0.845SS**  trans-73127.1162.737.10000109.2
411G29.5Very low28.6Very low81 Ų81127 Ų12784%0.83584%0.84SS**  trans-175.379.8173.800000110.3
412G26.3Very low28.6Very low88 Ų88127.2 Ų127.291%0.90784%0.842SS**  trans-77.4145.8175.100000112.1
413G27Very low28.5Very low78 Ų78126.7 Ų126.780%0.80484%0.837SS**  trans-171.485.117700000112.9
414A28.2Very low28.4Very low95 Ų95131.5 Ų131.579%0.78583%0.833SS**  trans43.9129.2143.800000123.3
415N28.8Very low28.3Very low141 Ų141136 Ų13675%0.75483%0.832SS**  101.9122.7127-99.4-5000122.1
416Q30.7Very low28.3Very low181 Ų181135.3 Ų135.385%0.84683%0.825SS**  trans56.2131.6144.8-67.5176.810.200117.9
417G28.4Very low28.1Very low80 Ų80127.1 Ų127.183%0.82582%0.82SS**  cis15615312.300000107.1
418G27.1Very low28Very low73 Ų73127.3 Ų127.375%0.75382%0.822SS**  trans118.8108161.800000117.4
419F26.6Very low27.9Very low208 Ų208128.4 Ų128.491%0.91283%0.834SS**  trans8.6136.5140.3-66.8-95.7000117.1
420Q29.8Very low27.9Very low193 Ų193120.6 Ų120.690%0.90283%0.826SS**  -169.3155.661.2-144.216714.600112
421D26.9Very low27.7Very low149 Ų149124.3 Ų124.380%0.79783%0.825SS**  trans-79.3178.3-170.5-150.6-28.9000114.9
422Q29.1Very low27.5Very low189 Ų189127.9 Ų127.988%0.88383%0.825SS**  trans100.3117.2166.4-60.7-179.814.600114.7
423G28.1Very low27.6Very low64 Ų64130.5 Ų130.566%0.6682%0.818SS**  cis168.8124.31.300000104.7
424F26Very low27.5Very low187 Ų187131.3 Ų131.382%0.8281%0.811SS**  40.4122.994.3-99.3-66.6000112.6
425H29.4Very low27.3Very low174 Ų174136.7 Ų136.781%0.80681%0.813SS**  cis-155.6164.233.8-77.2-94.2000107.6
426G27.6Very low27.2Very low72 Ų72134.1 Ų134.174%0.74281%0.806SS**  cis137.5145.915.500000109.8
427G27.1Very low27.1Very low83 Ų83133.1 Ų133.186%0.85680%0.801SS**  trans87.6110.7159.700000114.3
428G26.7Very low27Very low84 Ų84136.2 Ų136.287%0.86680%0.799SS**  9011057.900000107
429G26.4Very low27Very low87 Ų87136.3 Ų136.390%0.89780%0.8SS**  110.612657.100000107.2
430G26.5Very low26.9Very low76 Ų76129.5 Ų129.578%0.78479%0.789SS**  trans160108.9173.600000116.7
431Y25.2Very low26.6Very low227 Ų227131.6 Ų131.689%0.8979%0.789SS**  trans-60.7148.3172.9-58.6-101.8000113.7
432N26.5Very low26.6Very low157 Ų157131 Ų13184%0.8478%0.781SS**  175.1163.4101.3-127.8-27000114.9
433N27.6Very low26.6Very low142 Ų142129.3 Ų129.376%0.75977%0.773SS**  trans-53144.1-174.2-100.1-26.3000121.4
434S25.5Very low26.5Very low95 Ų95133.4 Ų133.466%0.66478%0.775SS**  86.7147.6119-146.50000123.5
435Y23.8Very low26.6Very low208 Ų208135.8 Ų135.882%0.81678%0.778SS**  trans86.3115.8157.3-90.1-84.2000122
436S25.6Very low26.5Very low88 Ų88131 Ų13162%0.61578%0.776SS**  84.1122.8128.4-1010000122.6
437Q28.4Very low26.6Very low159 Ų159131.6 Ų131.674%0.74378%0.783SS**  81.4127.5126-102.3-177.5-4600122.1
438D26.6Very low26.6Very low145 Ų145131.5 Ų131.578%0.77578%0.781SS**  trans76.2143.1136.2-85.8-50.5000120.6
439G28.2Very low26.9Very low75 Ų75139.7 Ų139.777%0.77379%0.786SS**  trans127.391.6155.300000114.5
440G24.3Very low27.1Very low66 Ų66139.6 Ų139.668%0.6879%0.785SS**  trans-82.5-173.8169.600000114.8
441W23.3Very low27.2Very low237 Ų237140 Ų14090%0.89879%0.789SS**  trans100.9131.2152.6-64.799.1000121.1
442H26.5Very low27.4Very low136 Ų136141.3 Ų141.363%0.6379%0.792SS**  trans79.5102.2149.9-81.3-73.7000121.9
443Q28Very low27.5Very low154 Ų154137.9 Ų137.972%0.7279%0.794SS**  51.3134.2108.9-96.9174.61.900121.9
444E27Very low27.5Very low150 Ų150135 Ų13570%0.70180%0.798SS**  trans111.5134.6135.2-87.9-167.9-161.100120.7
445R28.4Very low27.7Very low236 Ų236143 Ų14389%0.89181%0.813SS**  trans70.8134.7163.1-67.5175.7-177.5-151.4-1.8116.9
446G26.6Very low27.9Very low74 Ų74136.8 Ų136.876%0.76381%0.813SS**  cis155.8153.69.100000109.1
447G29.3Very low28.1Very low85 Ų85144.9 Ų144.988%0.87683%0.83SS**  trans88.9123.7167.400000114.7
448G28.5Very low28.1Very low80 Ų80141.3 Ų141.383%0.82584%0.836SS**  cis109.483.92100000110.9
449R32.3Very low28.2Very low257 Ų257139.7 Ų139.797%0.9784%0.836SS**  trans-157.6120.9159-93.4-176.4179.5-172.8-0.7105.8
450G30.6Very low28.3Very low84 Ų84148 Ų14887%0.86684%0.844SS**  cis101.870.733.800000108.8
451G28.1Very low28.4Very low84 Ų84148.9 Ų148.987%0.86685%0.853SS**  trans-115.5117.5179.500000111.4
452R31Very low28.6Very low255 Ų255141.6 Ų141.696%0.96285%0.851SS**  trans-125.1124.2175.8-139.4-174.5-164.4-163.55.2109.1
453G27.4Very low28.7Very low85 Ų85144.7 Ų144.788%0.87687%0.866SS**  trans94131.6142.900000118.3
454G28.5Very low28.7Very low82 Ų82143 Ų14385%0.84587%0.871SS**  trans158.293.6157.500000115.2
455R29.6Very low28.8Very low262 Ų262139.6 Ų139.699%0.98988%0.877SS**  trans-64.7146.1174.4-64.7170.2172.8174-3.7112
456G27.2Very low28.7Very low79 Ų79131.5 Ų131.581%0.81487%0.866SS**  trans-172.8117.6168.300000114.5
457R30.5Very low28.9Very low258 Ų258140.2 Ų140.297%0.97488%0.876SS**  trans-48.5141.2-176.9-69.7165.1167.7-179.7-4.7116
458G28.6Very low28.8Very low83 Ų83139.8 Ų139.886%0.85687%0.872SS**  trans-127.8119.4159.100000110.9
459S28.3Very low28.8Very low112 Ų112139.9 Ų139.978%0.78387%0.873SS**  trans-93.3141171.8-870000111.8
460R30.4Very low28.7Very low250 Ų250140 Ų14094%0.94387%0.873SS**  trans59118.9142.5-73.4-178.4173.3174.2-1.7120.5
461G26.7Very low28.4Very low84 Ų84140 Ų14087%0.86687%0.873SS**  133.6119122.600000115.7
462G27.4Very low28.3Very low83 Ų83139.8 Ų139.886%0.85687%0.871SS**  trans13474160.900000115.7S464G462-S464 PolarHBondContact O-N 3.39Å
463Q29.2Very low28.1Very low201 Ų201136.5 Ų136.594%0.93987%0.867SS**  trans-67.1115.6178.6-132.2161.115.200111.6
464S28.1Very low28Very low119 Ų119139.2 Ų139.283%0.83286%0.862SS**  trans-95.5100.8160.567.90000108.5G462 G466G462-S464 PolarHBondContact O-N 3.39Å; S464-G466 PolarHBondContact O-N 3.32Å; S464-G466 VanDerWaalsContact O-N 3.09Å
465G29.2Very low27.8Very low79 Ų79144.2 Ų144.281%0.81486%0.86SS**  trans-66.9103.218000000111.7
466G26.1Very low28.3Very low65 Ų65139.1 Ų139.167%0.6785%0.853SS**  trans-71.3152.8166.900000111.8S464 G468S464-G466 PolarHBondContact O-N 3.32Å; S464-G466 VanDerWaalsContact O-N 3.09Å; G466-G468 PolarHBondContact O-N 3.21Å
467W29.6Very low28.5Very low257 Ų257144 Ų14497%0.97385%0.854SS**SBendtrans-60.7100.2176.9-67.173000110.3
468G28.5Very low28.8Very low77 Ų77133.8 Ų133.879%0.79483%0.829SS**  trans-159.399.9176.400000110.7G466G466-G468 PolarHBondContact O-N 3.21Å
469G28Very low29.4Very low82 Ų82131 Ų13185%0.84580%0.8SS**  trans-131.8105.8170.900000109.5
470R29.4Very low30.4Very low259 Ų259133.2 Ų133.298%0.97780%0.798SS**  trans-74.9145167.3-79.5-177.7171.6-163.9-2.4109.9
471G25.3Very low31.4Very low84 Ų84122.8 Ų122.887%0.86676%0.76SS**  trans91.5103.9145.100000116.8
472G25.2Very low32.5Very low80 Ų80121.7 Ų121.783%0.82573%0.732SS**  trans174.9106.9165.400000110.8
473Q27.3Very low33.9Very low185 Ų185122.1 Ų122.186%0.86471%0.712SS**  trans-64.4148.8175.6-75.4163.1-25.200111.6
474N24.5Very low35.1Very low143 Ų143117.5 Ų117.577%0.76569%0.689SS**  trans89.3134.1150.7-77.9-14.4000122.1
475F25.5Very low36.3Very low187 Ų187113 Ų11382%0.8265%0.654SS**  trans74.187.2163.7-73.1-78.5000120.2Q477F475-Q477 PolarHBondContact O-N 3.12Å
476N39.1Very low37.4Very low155 Ų155112.2 Ų112.283%0.82963%0.629SS**  14.1102.5123.5-131.212.5000117.1
477Q31.3Very low38.3Very low182 Ų182116.8 Ų116.885%0.8563%0.633SS**  trans-168.6104.8140.8-109.7176.971.900108.6F475 G479F475-Q477 PolarHBondContact O-N 3.12Å; Q477-G479 PolarHBondContact O-N 3.18Å
478G36.8Very low38.8Very low43 Ų43105.9 Ų105.944%0.44360%0.601SS.*  trans-56.8132164.600000109Q480 Q483G478-Q480 PolarHBondContact O-N 3.37Å; G478-Q483 PolarHBondContact O-NE2 3.17Å
479G41.9Very low39.3Very low24 Ų24106 Ų10625%0.24760%0.602CS.*  trans-60.4138.7-177.200000111.3Q477 F481 E482 Q483Q477-G479 PolarHBondContact O-N 3.18Å; G479-F481 PolarHBondContact O-N 3.19Å; G479-E482 PolarHBondContact O-N 3.23Å; G479-E482 VanDerWaalsContact O-N 3.09Å; G479-Q483 PolarHBondContact O-N 3.21Å
480Q48.5Very low39.7Very low158 Ų158110.4 Ų110.474%0.73860%0.6SS**Hα-helixtrans-50.3-29.7179.4-78.2-178.76.800113.5G478 F484G478-Q480 PolarHBondContact O-N 3.37Å; Q480-F484 WeakPolarHBondContact O-CB 3.36Å; Q480-F484 PolarHBondContact O-N 3.21Å
481F51.9Low39.9Very low32 Ų32106.9 Ų106.914%0.1460%0.595CS.*Hα-helixtrans-64.2-49.4177.8-179.5-96.6000113.3F137 P152 I156 F161 G479 Q483 F484 F485F137-F481 HydrophobicContact CE2-CE1 4.2Å; P152-F481 HydrophobicContact CG-CE1 4.17Å; P152-F481 HydrophobicContact CG-CZ 4.22Å; I156-F481 HydrophobicContact CG2-CD2 3.82Å; I156-F481 HydrophobicContact CG2-CE2 4.19Å; I156-F481 HydrophobicContact CG2-CG 4.48Å; F161-F481 HydrophobicContact CD1-CE2 4.44Å; F161-F481 HydrophobicContact CD2-CE2 4.25Å; F161-F481 HydrophobicContact CD2-CZ 4.41Å; F161-F481 HydrophobicContact CE1-CZ 4.48Å; F161-F481 HydrophobicContact CE2-CE2 4.41Å; F161-F481 HydrophobicContact CE2-CZ 4.12Å; F161-F481 HydrophobicContact CG-CE2 4.26Å; F161-F481 HydrophobicContact CZ-CZ 4.15Å; G479-F481 PolarHBondContact O-N 3.19Å; F481-Q483 VanDerWaalsContact C-N 3.35Å; F481-F484 PolarHBondContact O-N 3.18Å; F481-F485 HydrophobicContact CD2-CE2 4.17Å; F481-F485 HydrophobicContact CE2-CD2 4.24Å; F481-F485 AromaticContact CE2-CE2 3.69Å; F481-F485 HydrophobicContact CE2-CE2 3.69Å; F481-F485 HydrophobicContact CZ-CD2 4.31Å; F481-F485 HydrophobicContact CZ-CE2 4.03Å; F481-F485 WeakPolarHBondContact O-CD2 3.18Å
482E50.7Low40.3Very low60 Ų60114.1 Ų114.128%0.2860%0.598SS.*Hα-helixtrans-67.8-39.4178.8-86.4164.9172.800110F137 K151 G479 F484 F485 Q486F137-E482 HydrophobicContact CE2-CG 4.17Å; F137-E482 HydrophobicContact CZ-CG 4.46Å; K151-E482 IonicContact NZ-OE1 3.37Å; G479-E482 PolarHBondContact O-N 3.23Å; G479-E482 VanDerWaalsContact O-N 3.09Å; E482-F484 PolarHBondContact O-N 3.29Å; E482-F485 PolarHBondContact O-N 3.14Å; E482-Q486 WeakPolarHBondContact O-CB 3.31Å; E482-Q486 WeakPolarHBondContact O-CG 3.45Å; E482-Q486 PolarHBondContact O-N 2.98Å
483Q54.9Low40.6Very low92 Ų92117.7 Ų117.743%0.4360%0.598SS.*Hα-helixtrans-64.6-36.6177.1-68-174.7300113.6G478 G479 F481 F485 Q486 H487G478-Q483 PolarHBondContact O-NE2 3.17Å; G479-Q483 PolarHBondContact O-N 3.21Å; F481-Q483 VanDerWaalsContact C-N 3.35Å; Q483-F485 PolarHBondContact O-N 3.04Å; Q483-Q486 PolarHBondContact O-N 3.23Å; Q483-H487 WeakPolarHBondContact O-CB 3.47Å; Q483-H487 PolarHBondContact O-N 3.02Å
484F55.6Low40.7Very low105 Ų105118.2 Ų118.246%0.46160%0.6SS.*Hα-helixtrans-63.7-41.9179.7-170.7-93.3000112.1M158 Q480 F481 E482 G488M158-F484 HydrophobicContact CE-CE1 4.02Å; M158-F484 HydrophobicContact SD-CD1 4.37Å; M158-F484 HydrophobicContact SD-CE1 4.32Å; Q480-F484 WeakPolarHBondContact O-CB 3.36Å; Q480-F484 PolarHBondContact O-N 3.21Å; F481-F484 PolarHBondContact O-N 3.18Å; E482-F484 PolarHBondContact O-N 3.29Å; F484-G488 CarbonylContact O-C 3.56Å; F484-G488 WeakPolarHBondContact O-CA 3.35Å; F484-G488 PolarHBondContact O-N 2.91Å
485F53.2Low41.1Very low24 Ų24116.2 Ų116.211%0.10560%0.604CS.*Hα-helixtrans-87-17.5178.5-69.4-79.4000114.1S134 V136 F137 L140 M158 F481 E482 Q483S134-F485 VanDerWaalsContact CB-O 3.29Å; S134-F485 WeakPolarHBondContact CB-O 3.49Å; S134-F485 PolarHBondContact OG-O 3.4Å; V136-F485 HydrophobicContact CG1-CD1 4.2Å; V136-F485 HydrophobicContact CG1-CE1 4.36Å; F137-F485 HydrophobicContact CB-CB 4.34Å; F137-F485 HydrophobicContact CD2-CB 4.44Å; L140-F485 HydrophobicContact CD1-CD1 4.06Å; L140-F485 HydrophobicContact CD1-CE1 3.46Å; L140-F485 VanDerWaalsContact CD1-CE1 3.46Å; L140-F485 HydrophobicContact CD1-CE2 4.34Å; L140-F485 HydrophobicContact CD1-CZ 3.6Å; M158-F485 HydrophobicContact CE-CE1 4.08Å; M158-F485 HydrophobicContact CE-CE2 4.33Å; M158-F485 HydrophobicContact CE-CZ 3.49Å; M158-F485 VanDerWaalsContact CE-CZ 3.49Å; M158-F485 HydrophobicContact SD-CE1 4.45Å; M158-F485 HydrophobicContact SD-CE2 3.64Å; M158-F485 HydrophobicContact SD-CZ 3.38Å; M158-F485 WeakPolarHBondContact SD-CZ 3.46Å; F481-F485 HydrophobicContact CD2-CE2 4.17Å; F481-F485 HydrophobicContact CE2-CD2 4.24Å; F481-F485 AromaticContact CE2-CE2 3.69Å; F481-F485 HydrophobicContact CE2-CE2 3.69Å; F481-F485 HydrophobicContact CZ-CD2 4.31Å; F481-F485 HydrophobicContact CZ-CE2 4.03Å; F481-F485 WeakPolarHBondContact O-CD2 3.18Å; E482-F485 PolarHBondContact O-N 3.14Å; Q483-F485 PolarHBondContact O-N 3.04Å
486Q51.2Low41.4Very low62 Ų62110.2 Ų110.229%0.2959%0.594SS.*Hα-helixtrans-81-33.6171.4-75.2175.9-8.300112.5E131 E482 Q483E131-Q486 VanDerWaalsContact OE2-CD 3.26Å; E131-Q486 PolarHBondContact OE2-NE2 2.82Å; E131-Q486 PolarHBondContact OE2-OE1 3.43Å; E482-Q486 WeakPolarHBondContact O-CB 3.31Å; E482-Q486 WeakPolarHBondContact O-CG 3.45Å; E482-Q486 PolarHBondContact O-N 2.98Å; Q483-Q486 PolarHBondContact O-N 3.23Å
487H45.2Very low40.9Very low161 Ų161113 Ų11375%0.74560%0.6SS**Hα-helixtrans-120.7-5.2-173.9-65.8-67.3000116.1Q483Q483-H487 WeakPolarHBondContact O-CB 3.47Å; Q483-H487 PolarHBondContact O-N 3.02Å
488G41.9Very low40.8Very low29 Ų29112.3 Ų112.330%0.29960%0.602SS.*  trans-146.452.4-163.100000117.2F484F484-G488 CarbonylContact O-C 3.56Å; F484-G488 WeakPolarHBondContact O-CA 3.35Å; F484-G488 PolarHBondContact O-N 2.91Å
489G37Very low40.5Very low79 Ų79119 Ų11981%0.81462%0.621SS**SBendtrans-95.810.7167.300000115.1
490Q37.2Very low40.1Very low175 Ų175121.4 Ų121.482%0.81865%0.647SS**  trans-103.8-4.5-170.5-74.3-114.6-11.200114.9
491Q33.7Very low39.1Very low184 Ų184123.8 Ų123.886%0.8665%0.649SS**THydrogen-bonded Turntrans-9719.9-171.5-78.9-175.5-7.700116.2
492Y34.1Very low38.1Very low236 Ų236131 Ų13193%0.92568%0.682SS**THydrogen-bonded Turntrans-12031.4168.2-88.4-80.6000113.5
493N32Very low37.1Very low155 Ų155137.5 Ų137.583%0.82971%0.706SS**  trans-130.118.2172.4-109.6-17.9000114.2
494Q29.5Very low35.7Very low196 Ų196138.9 Ų138.992%0.91672%0.721SS**  trans-106.273.3168.4-77.9-167.821.400110.8
495A31.3Very low34.6Very low102 Ų102143 Ų14384%0.84376%0.763SS**  trans-101.5103.7141.700000105.3
496G32.1Very low33.7Very low60 Ų60149 Ų14962%0.61980%0.796SS**  trans-69.5145.7-166.600000113.8
497F29.3Very low32.8Very low214 Ų214153.6 Ų153.694%0.93982%0.822SS**  trans-15983140.6-97.2-74.9000107.6
498N28.9Very low32.1Very low167 Ų167153.2 Ų153.289%0.89383%0.827SS**  trans-129.473.8163.3-130.6-6.4000107.3
499Q30.4Very low31.5Very low184 Ų184160.5 Ų160.586%0.8686%0.858SS**  trans-128.4109.3156.9-79.5-168.210.400107.1R501Q499-R501 PolarHBondContact O-N 3.28Å
500G34Very low31.2Very low75 Ų75165.6 Ų165.677%0.77386%0.86SS**  trans-60.5127.717000000109.9
501R28.1Very low30.8Very low207 Ų207164.9 Ų164.978%0.78186%0.863SS**  trans-119.3114.1151.8-86.1-164178.6-162.92.2108.1Q499Q499-R501 PolarHBondContact O-N 3.28Å
502H30.9Very low30.6Very low184 Ų184163.6 Ų163.685%0.85286%0.863SS**  trans-57.2130159.3-67.6-80.1000109.2
503Y27.8Very low30.3Very low197 Ų197158 Ų15877%0.77386%0.859SS**  trans-128.1117150.3-87.7-84.4000107.6
504T27.5Very low30.2Very low121 Ų121158.3 Ų158.374%0.74286%0.861SS**  trans-77.1140.5165.844.30000109.6
505S32.4Very low30.2Very low192 Ų192154.8 Ų154.8100%1.34386%0.856SS**  trans48.30162.460.50000118.5

Retrieved 505 of 505 residues in 279 ms (Link to these results)

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