A0A077Z9S0_TRITR Loading...

Fer4 8 and Fer2 3 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z9S0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 177 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
1M96.4Very high97.1Very high65 Ų6554.7 Ų54.732%0.3232%0.315SS..  0170.1066.8-177.369.500109V3 K8 A10 V24 E25 L36M1-V3 HydrophobicContact CG-CG2 4.28Å; M1-K8 PolarHBondContact N-O 3.38Å; M1-K8 PolarHBondContact O-N 2.83Å; M1-K8 VanDerWaalsContact O-O 3.13Å; M1-A10 HydrophobicContact CE-CB 3.53Å; M1-A10 HydrophobicContact CG-CB 4.29Å; M1-A10 HydrophobicContact SD-CB 3.58Å; M1-A10 VanDerWaalsContact SD-CB 3.58Å; M1-V24 HydrophobicContact CG-CG1 4.29Å; M1-V24 HydrophobicContact SD-CG1 3.41Å; M1-V24 WeakPolarHBondContact SD-CG1 3.35Å; M1-E25 WeakPolarHBondContact CB-O 3.33Å; M1-L36 HydrophobicContact CE-CD1 4.38Å; M1-L36 HydrophobicContact SD-CD1 4.3Å
2M98.1Very high96.9Very high18 Ų1860.2 Ų60.29%0.08933%0.332CS..EExtended strand (participates in β ladder)trans-93.9133.7174.5-52.8-59-73.300109.1N5 P7 V24 E25 A26 L27 A28 A90M2-N5 WeakPolarHBondContact CE-O 3.42Å; M2-P7 HydrophobicContact CE-CG 3.75Å; M2-P7 HydrophobicContact SD-CB 4Å; M2-P7 HydrophobicContact SD-CG 3.71Å; M2-V24 WeakPolarHBondContact O-CA 3.35Å; M2-E25 HydrophobicContact CB-CB 4.13Å; M2-E25 PolarHBondContact N-O 3.39Å; M2-E25 PolarHBondContact O-N 3.34Å; M2-A26 WeakPolarHBondContact CG-O 3.28Å; M2-L27 HydrophobicContact SD-CD1 4.38Å; M2-A28 HydrophobicContact CE-CB 3.9Å; M2-A28 HydrophobicContact CG-CB 4.14Å; M2-A28 HydrophobicContact SD-CB 3.76Å; M2-A90 HydrophobicContact SD-CB 4.06Å
3V97.8Very high96.8Very high1 Ų157.5 Ų57.51%0.00632%0.318CS..EExtended strand (participates in β ladder)trans-126.9115.2173.4178.10000107.6M1 N5 V6 K8 T13 Y18 M22 K23M1-V3 HydrophobicContact CG-CG2 4.28Å; V3-N5 VanDerWaalsContact C-N 3.28Å; V3-N5 PolarHBondContact O-N 2.69Å; V3-V6 PolarHBondContact N-O 2.79Å; V3-V6 PolarHBondContact O-N 3.36Å; V3-K8 HydrophobicContact CB-CB 4.46Å; V3-K8 HydrophobicContact CB-CD 4.29Å; V3-K8 HydrophobicContact CG2-CB 4.29Å; V3-T13 HydrophobicContact CG1-CG2 4.29Å; V3-Y18 HydrophobicContact CG1-CD1 4.43Å; V3-Y18 HydrophobicContact CG1-CE1 3.67Å; V3-Y18 HydrophobicContact CG1-CE2 4.39Å; V3-M22 HydrophobicContact CB-CE 4.39Å; V3-M22 HydrophobicContact CG1-CE 3.41Å; V3-M22 VanDerWaalsContact CG1-CE 3.41Å; V3-M22 HydrophobicContact CG2-CE 4.1Å; V3-K23 WeakPolarHBondContact CA-O 3.5Å
4N96.3Very high96.7Very high71 Ų7161.8 Ų61.838%0.3833%0.332SS..THydrogen-bonded Turntrans46.551.5-171.3-70.3-0.2000111.8V6 Y18 K23N4-V6 PolarHBondContact O-N 2.97Å; N4-V6 VanDerWaalsContact O-N 3.15Å; N4-Y18 HydrophobicContact CB-CE1 4.44Å; N4-Y18 WeakPolarHBondContact ND2-CD1 3.32Å; N4-K23 PolarHBondContact N-O 2.92Å; N4-K23 PolarHBondContact OD1-N 3.01Å
5N96.1Very high96.6Very high114 Ų11466.5 Ų66.561%0.6136%0.356SS*.THydrogen-bonded Turntrans62.610.1-177.9-58.2-48.2000116.4M2 V3M2-N5 WeakPolarHBondContact CE-O 3.42Å; V3-N5 VanDerWaalsContact C-N 3.28Å; V3-N5 PolarHBondContact O-N 2.69Å
6V97.3Very high96.6Very high44 Ų4474.2 Ų74.227%0.26738%0.379SS..EExtended strand (participates in β ladder)trans-109.3128.9175.4-179.40000110V3 N4 K8V3-V6 PolarHBondContact N-O 2.79Å; V3-V6 PolarHBondContact O-N 3.36Å; N4-V6 PolarHBondContact O-N 2.97Å; N4-V6 VanDerWaalsContact O-N 3.15Å; V6-K8 HydrophobicContact CB-CG 4.44Å; V6-K8 HydrophobicContact CG1-CD 4.42Å; V6-K8 HydrophobicContact CG1-CG 4.01Å; V6-K8 PolarHBondContact O-N 3.25Å
7P98.2Very high96.6Very high4 Ų475.8 Ų75.83%0.02639%0.389CS..EExtended strand (participates in β ladder)trans-62.1118.8172.8-19.430.6000110.9M2 L87 A90 A91 V147M2-P7 HydrophobicContact CE-CG 3.75Å; M2-P7 HydrophobicContact SD-CB 4Å; M2-P7 HydrophobicContact SD-CG 3.71Å; P7-L87 HydrophobicContact CB-CB 4Å; P7-L87 HydrophobicContact CB-CD2 3.85Å; P7-L87 HydrophobicContact CB-CG 4.42Å; P7-A90 HydrophobicContact CB-CB 4.02Å; P7-A90 HydrophobicContact CG-CB 3.84Å; P7-A91 HydrophobicContact CG-CB 4.12Å; P7-V147 HydrophobicContact CG-CG1 4.43Å
8K97.9Very high96.5Very high69 Ų6973.4 Ų73.430%0.337%0.374SS..  trans-139.4156.6179.7-63.5-171.5-176.9-174.40112.4M1 V3 V6 T13 Y18M1-K8 PolarHBondContact N-O 3.38Å; M1-K8 PolarHBondContact O-N 2.83Å; M1-K8 VanDerWaalsContact O-O 3.13Å; V3-K8 HydrophobicContact CB-CB 4.46Å; V3-K8 HydrophobicContact CB-CD 4.29Å; V3-K8 HydrophobicContact CG2-CB 4.29Å; V6-K8 HydrophobicContact CB-CG 4.44Å; V6-K8 HydrophobicContact CG1-CD 4.42Å; V6-K8 HydrophobicContact CG1-CG 4.01Å; V6-K8 PolarHBondContact O-N 3.25Å; K8-T13 HydrophobicContact CD-CG2 4.34Å; K8-Y18 WeakPolarHBondContact CD-OH 3.23Å; K8-Y18 WeakPolarHBondContact CE-OH 3.49Å; K8-Y18 PolarHBondContact NZ-OH 2.95Å
9L97.8Very high96.4Very high43 Ų4375.9 Ų75.923%0.22539%0.394CS..  trans-80.7115.1162.2-62.3-178000108.1C11 K12 T13 I83 C85 L87 P149L9-C11 VanDerWaalsContact C-N 3.27Å; L9-C11 PolarHBondContact O-N 3.31Å; L9-K12 HydrophobicContact CB-CB 4.19Å; L9-K12 PolarHBondContact O-N 2.84Å; L9-K12 VanDerWaalsContact O-N 3.07Å; L9-T13 PolarHBondContact O-N 3.32Å; L9-T13 PolarHBondContact O-OG1 3.19Å; L9-I83 HydrophobicContact CD1-CD1 3.92Å; L9-C85 HydrophobicContact CD2-CB 3.89Å; L9-L87 HydrophobicContact CD2-CD1 4.06Å; L9-L87 HydrophobicContact CG-CD1 4.01Å; L9-P149 HydrophobicContact CD1-CB 3.79Å; L9-P149 HydrophobicContact CD1-CG 3.71Å; L9-P149 HydrophobicContact CG-CB 4.18Å; L9-P149 HydrophobicContact CG-CG 4.01Å
10A96Very high96.4Very high46 Ų4680.3 Ų80.338%0.3842%0.417SS..G310 helixtrans-58.5-40-179.600000112.6M1 K12 T13M1-A10 HydrophobicContact CE-CB 3.53Å; M1-A10 HydrophobicContact CG-CB 4.29Å; M1-A10 HydrophobicContact SD-CB 3.58Å; M1-A10 VanDerWaalsContact SD-CB 3.58Å; A10-K12 PolarHBondContact O-N 2.86Å; A10-K12 VanDerWaalsContact O-N 3.11Å; A10-T13 WeakPolarHBondContact O-CB 3.3Å; A10-T13 PolarHBondContact O-N 3.04Å
11C96.7Very high96.3Very high127 Ų12778.5 Ų78.586%0.85842%0.419SS*.G310 helixtrans-63.1-17.5178.663.10000114.6L9L9-C11 VanDerWaalsContact C-N 3.27Å; L9-C11 PolarHBondContact O-N 3.31Å
12K94.3Very high96.3Very high120 Ų12078.9 Ų78.952%0.52242%0.421SS..G310 helixtrans-104.60.4176.3-161.8-168.7173.9-172.70112.1L9 A10 P149L9-K12 HydrophobicContact CB-CB 4.19Å; L9-K12 PolarHBondContact O-N 2.84Å; L9-K12 VanDerWaalsContact O-N 3.07Å; A10-K12 PolarHBondContact O-N 2.86Å; A10-K12 VanDerWaalsContact O-N 3.11Å; K12-P149 PolarHBondContact NZ-O 3.26Å; K12-P149 VanDerWaalsContact NZ-O 3.15Å
13T95Very high96.2Very high25 Ų2583.2 Ų83.215%0.15344%0.439CS..  trans-99.8110.3-174.4-59.70000109V3 K8 L9 A10 Y18V3-T13 HydrophobicContact CG1-CG2 4.29Å; K8-T13 HydrophobicContact CD-CG2 4.34Å; L9-T13 PolarHBondContact O-N 3.32Å; L9-T13 PolarHBondContact O-OG1 3.19Å; A10-T13 WeakPolarHBondContact O-CB 3.3Å; A10-T13 PolarHBondContact O-N 3.04Å; T13-Y18 HydrophobicContact CG2-CD2 4.29Å; T13-Y18 HydrophobicContact CG2-CE2 3.29Å; T13-Y18 WeakPolarHBondContact CG2-OH 3.32Å
14F96.2Very high96.2Very high118 Ų11885.8 Ų85.852%0.51846%0.455SS..  trans-81.3131.5-177.2-65-81.2000111.1R16 D17 Y18F14-R16 HydrophobicContact CB-CG 4Å; F14-R16 PolarHBondContact O-N 3.44Å; F14-D17 WeakPolarHBondContact O-CB 3.19Å; F14-D17 PolarHBondContact O-N 3.09Å; F14-D17 VanDerWaalsContact O-N 3.09Å; F14-Y18 WeakPolarHBondContact O-CD2 3.3Å
15L95.6Very high96.3Very high132 Ų13285.7 Ų85.769%0.69145%0.452SS*.G310 helixtrans-60.4-29.2178.8-63.9178.4000113.1D17 Y18 M22L15-D17 PolarHBondContact O-N 3.17Å; L15-D17 VanDerWaalsContact O-N 3.12Å; L15-Y18 PolarHBondContact O-N 3.12Å; L15-M22 HydrophobicContact CD2-SD 3.54Å; L15-M22 VanDerWaalsContact CD2-SD 3.54Å
16R96.3Very high96.4Very high190 Ų19080.9 Ų80.972%0.71743%0.428SS*.G310 helixtrans-60.8-20.1177.375.5-172.2176.8-174-3.1113.7F14F14-R16 HydrophobicContact CB-CG 4Å; F14-R16 PolarHBondContact O-N 3.44Å
17D95.5Very high96.5Very high102 Ų10279.3 Ų79.355%0.54542%0.418SS..G310 helixtrans-83.8-1.6179.1-53.3-23.2000111.9F14 L15F14-D17 WeakPolarHBondContact O-CB 3.19Å; F14-D17 PolarHBondContact O-N 3.09Å; F14-D17 VanDerWaalsContact O-N 3.09Å; L15-D17 PolarHBondContact O-N 3.17Å; L15-D17 VanDerWaalsContact O-N 3.12Å
18Y95.9Very high96.4Very high33 Ų3380.7 Ų80.713%0.12943%0.429CS..  trans-133.561.2-175.3-57.5-92.1000111.2V3 N4 K8 T13 F14 L15 D20 G21 M22V3-Y18 HydrophobicContact CG1-CD1 4.43Å; V3-Y18 HydrophobicContact CG1-CE1 3.67Å; V3-Y18 HydrophobicContact CG1-CE2 4.39Å; N4-Y18 HydrophobicContact CB-CE1 4.44Å; N4-Y18 WeakPolarHBondContact ND2-CD1 3.32Å; K8-Y18 WeakPolarHBondContact CD-OH 3.23Å; K8-Y18 WeakPolarHBondContact CE-OH 3.49Å; K8-Y18 PolarHBondContact NZ-OH 2.95Å; T13-Y18 HydrophobicContact CG2-CD2 4.29Å; T13-Y18 HydrophobicContact CG2-CE2 3.29Å; T13-Y18 WeakPolarHBondContact CG2-OH 3.32Å; F14-Y18 WeakPolarHBondContact O-CD2 3.3Å; L15-Y18 PolarHBondContact O-N 3.12Å; Y18-D20 PolarHBondContact O-N 3.34Å; Y18-G21 PolarHBondContact O-N 3.22Å; Y18-G21 VanDerWaalsContact O-N 3.12Å; Y18-M22 HydrophobicContact CD1-CB 4.21Å; Y18-M22 HydrophobicContact CG-CB 4.21Å
19T95.1Very high96.4Very high121 Ų12180.6 Ų80.674%0.74243%0.432SS*.THydrogen-bonded Turntrans-62.4-28.9-175.6510000113.9G21T19-G21 PolarHBondContact O-N 2.87Å
20D95.4Very high96.3Very high162 Ų16279.5 Ų79.587%0.86643%0.426SS*.THydrogen-bonded Turntrans-88.110.9179.8-54.3-36.9000112.8Y18Y18-D20 PolarHBondContact O-N 3.34Å
21G94.9Very high96.4Very high44 Ų4481.3 Ų81.345%0.45443%0.434SS..  trans90.9173.7-172.200000113.1Y18 T19Y18-G21 PolarHBondContact O-N 3.22Å; Y18-G21 VanDerWaalsContact O-N 3.12Å; T19-G21 PolarHBondContact O-N 2.87Å
22M95.6Very high96.4Very high72 Ų7280.6 Ų80.636%0.35542%0.42SS..  trans-137.7140-177.967-174.4-54.100111.1V3 L15 Y18 V24V3-M22 HydrophobicContact CB-CE 4.39Å; V3-M22 HydrophobicContact CG1-CE 3.41Å; V3-M22 VanDerWaalsContact CG1-CE 3.41Å; V3-M22 HydrophobicContact CG2-CE 4.1Å; L15-M22 HydrophobicContact CD2-SD 3.54Å; L15-M22 VanDerWaalsContact CD2-SD 3.54Å; Y18-M22 HydrophobicContact CD1-CB 4.21Å; Y18-M22 HydrophobicContact CG-CB 4.21Å; M22-V24 HydrophobicContact CE-CG2 3.66Å; M22-V24 HydrophobicContact CG-CG2 4.23Å; M22-V24 HydrophobicContact SD-CG2 4.33Å
23K97.2Very high96.6Very high110 Ų11081 Ų8148%0.47842%0.424SS..  trans-96.4125.6167.2-169.6-174.8-178-1470108.6V3 N4 E25V3-K23 WeakPolarHBondContact CA-O 3.5Å; N4-K23 PolarHBondContact N-O 2.92Å; N4-K23 PolarHBondContact OD1-N 3.01Å; K23-E25 HydrophobicContact CD-CG 4.47Å; K23-E25 WeakPolarHBondContact CD-OE2 3.16Å; K23-E25 VanDerWaalsContact CE-OE1 3.3Å; K23-E25 WeakPolarHBondContact CE-OE1 3.39Å; K23-E25 VanDerWaalsContact CE-OE2 3.23Å; K23-E25 WeakPolarHBondContact CE-OE2 3.38Å; K23-E25 HydrophobicContact CG-CG 4.3Å; K23-E25 IonicContact NZ-OE1 2.67Å; K23-E25 PolarHBondContact NZ-OE1 3.16Å; K23-E25 IonicContact NZ-OE2 3.79Å; K23-E25 PolarHBondContact NZ-OE2 3.15Å
24V97.9Very high96.8Very high55 Ų5588.6 Ų88.633%0.33345%0.45SS..EExtended strand (participates in β ladder)trans-114.6130.6176.9-1780000109M1 M2 M22 L36M1-V24 HydrophobicContact CG-CG1 4.29Å; M1-V24 HydrophobicContact SD-CG1 3.41Å; M1-V24 WeakPolarHBondContact SD-CG1 3.35Å; M2-V24 WeakPolarHBondContact O-CA 3.35Å; M22-V24 HydrophobicContact CE-CG2 3.66Å; M22-V24 HydrophobicContact CG-CG2 4.23Å; M22-V24 HydrophobicContact SD-CG2 4.33Å; V24-L36 HydrophobicContact CG1-CD1 3.64Å; V24-L36 HydrophobicContact CG1-CD2 3.96Å; V24-L36 HydrophobicContact CG1-CG 4.49Å
25E98.3Very high96.9Very high69 Ų6989 Ų8932%0.32246%0.457SS..EExtended strand (participates in β ladder)trans-135.4158.5179.2-63.6173.2107.400110.4M1 M2 K23 L36M1-E25 WeakPolarHBondContact CB-O 3.33Å; M2-E25 HydrophobicContact CB-CB 4.13Å; M2-E25 PolarHBondContact N-O 3.39Å; M2-E25 PolarHBondContact O-N 3.34Å; K23-E25 HydrophobicContact CD-CG 4.47Å; K23-E25 WeakPolarHBondContact CD-OE2 3.16Å; K23-E25 VanDerWaalsContact CE-OE1 3.3Å; K23-E25 WeakPolarHBondContact CE-OE1 3.39Å; K23-E25 VanDerWaalsContact CE-OE2 3.23Å; K23-E25 WeakPolarHBondContact CE-OE2 3.38Å; K23-E25 HydrophobicContact CG-CG 4.3Å; K23-E25 IonicContact NZ-OE1 2.67Å; K23-E25 PolarHBondContact NZ-OE1 3.16Å; K23-E25 IonicContact NZ-OE2 3.79Å; K23-E25 PolarHBondContact NZ-OE2 3.15Å; E25-L36 VanDerWaalsContact C-CD2 3.47Å
26A98.2Very high97Very high12 Ų1286.4 Ų86.410%0.09944%0.444CS..PPolyproline II helixtrans-56154.9173.300000110.7M2 A28 I32 V38M2-A26 WeakPolarHBondContact CG-O 3.28Å; A26-A28 PolarHBondContact O-N 3.03Å; A26-I32 HydrophobicContact CB-CD1 3.77Å; A26-I32 HydrophobicContact CB-CG1 3.76Å; A26-I32 HydrophobicContact CB-CG2 4.38Å; A26-V38 HydrophobicContact CB-CG1 3.81Å
27L97.7Very high97.1Very high12 Ų1281.8 Ų81.86%0.06344%0.436CS..PPolyproline II helixtrans-59.7122.8-176.9-170.866.3000110.4M2 F30 V38 M40 L87 A90M2-L27 HydrophobicContact SD-CD1 4.38Å; L27-F30 HydrophobicContact CB-CD2 4.13Å; L27-F30 HydrophobicContact CD2-CD2 3.57Å; L27-F30 HydrophobicContact CD2-CE2 3.37Å; L27-F30 HydrophobicContact CD2-CZ 4.17Å; L27-F30 HydrophobicContact CG-CD2 3.66Å; L27-F30 HydrophobicContact CG-CE2 3.78Å; L27-V38 HydrophobicContact CB-CG1 4.03Å; L27-V38 HydrophobicContact CB-CG2 4.08Å; L27-V38 HydrophobicContact CD2-CG2 4.46Å; L27-M40 HydrophobicContact CD2-SD 4.43Å; L27-L87 HydrophobicContact CD1-CD2 3.72Å; L27-A90 HydrophobicContact CD1-CB 3.36Å; L27-A90 HydrophobicContact CG-CB 3.72Å
28A97.4Very high97.2Very high32 Ų3277.9 Ų77.926%0.26442%0.416SS..THydrogen-bonded Turntrans-61.9154.4-177.200000112.3M2 A26 F30 A90M2-A28 HydrophobicContact CE-CB 3.9Å; M2-A28 HydrophobicContact CG-CB 4.14Å; M2-A28 HydrophobicContact SD-CB 3.76Å; A26-A28 PolarHBondContact O-N 3.03Å; A28-F30 WeakPolarHBondContact O-CD2 3.17Å; A28-F30 PolarHBondContact O-N 2.97Å; A28-A90 HydrophobicContact CB-CB 4.24Å; A28-A90 VanDerWaalsContact O-CA 3.28Å; A28-A90 WeakPolarHBondContact O-CA 3.46Å; A28-A90 WeakPolarHBondContact O-CB 3.41Å
29N96.8Very high97.3Very high68 Ų6878.7 Ų78.736%0.36442%0.423SS..THydrogen-bonded Turntrans67.19.4-179.3-49-30.7000115.6Y89 A90 C92 F95 G96N29-Y89 PolarHBondContact ND2-O 3.23Å; N29-A90 PolarHBondContact ND2-O 3.26Å; N29-C92 PolarHBondContact ND2-O 3.29Å; N29-C92 VanDerWaalsContact ND2-O 3.15Å; N29-F95 HydrophobicContact CB-CD1 3.69Å; N29-F95 HydrophobicContact CB-CE1 4.07Å; N29-F95 WeakPolarHBondContact O-CE1 3.46Å; N29-G96 VanDerWaalsContact CG-CA 3.49Å; N29-G96 WeakPolarHBondContact OD1-CA 3.48Å
30F97.2Very high97.4Very high20 Ų2075 Ų759%0.08840%0.398CS..SBendtrans-115.6145.8172-64.4-89.8000110.3L27 A28 V38 D39 M40 F43 Y89 F95L27-F30 HydrophobicContact CB-CD2 4.13Å; L27-F30 HydrophobicContact CD2-CD2 3.57Å; L27-F30 HydrophobicContact CD2-CE2 3.37Å; L27-F30 HydrophobicContact CD2-CZ 4.17Å; L27-F30 HydrophobicContact CG-CD2 3.66Å; L27-F30 HydrophobicContact CG-CE2 3.78Å; A28-F30 WeakPolarHBondContact O-CD2 3.17Å; A28-F30 PolarHBondContact O-N 2.97Å; F30-V38 HydrophobicContact CB-CB 3.6Å; F30-V38 HydrophobicContact CB-CG1 4.04Å; F30-V38 HydrophobicContact CB-CG2 3.82Å; F30-V38 HydrophobicContact CG-CB 4.42Å; F30-V38 HydrophobicContact CG-CG2 4.1Å; F30-D39 WeakPolarHBondContact CD1-O 3.43Å; F30-M40 HydrophobicContact CD1-SD 3.72Å; F30-M40 HydrophobicContact CE1-CE 4.19Å; F30-M40 HydrophobicContact CE1-SD 3.53Å; F30-M40 VanDerWaalsContact CE1-SD 3.53Å; F30-M40 HydrophobicContact CE2-SD 4.48Å; F30-M40 HydrophobicContact CG-SD 4.27Å; F30-M40 HydrophobicContact CZ-CE 4.28Å; F30-M40 HydrophobicContact CZ-SD 3.93Å; F30-F43 HydrophobicContact CE1-CB 4.05Å; F30-Y89 VanDerWaalsContact CZ-CB 3.49Å; F30-Y89 HydrophobicContact CZ-CD1 4.38Å; F30-Y89 HydrophobicContact CZ-CG 4.04Å; F30-F95 HydrophobicContact CE1-CE1 4.31Å; F30-F95 HydrophobicContact CZ-CE1 4.3Å
31P96.7Very high97.4Very high84 Ų8470.7 Ų70.755%0.54538%0.377SS..  trans-57.8138.7168-21.132.7000110.8V38 D39P31-V38 CarbonylContact O-C 3.5Å; P31-V38 WeakPolarHBondContact O-CA 3.38Å; P31-V38 VanDerWaalsContact O-CB 3.32Å; P31-V38 WeakPolarHBondContact O-CB 3.36Å; P31-D39 HydrophobicContact CB-CB 4.13Å; P31-D39 HydrophobicContact CG-CB 4.38Å; P31-D39 PolarHBondContact O-N 3.34Å
32I97.9Very high97.4Very high112 Ų11271.1 Ų71.157%0.57437%0.367SS*.EExtended strand (participates in β ladder)trans-90122178.1-57.8175.4000108.3A26A26-I32 HydrophobicContact CB-CD1 3.77Å; A26-I32 HydrophobicContact CB-CG1 3.76Å; A26-I32 HydrophobicContact CB-CG2 4.38Å
33E97.7Very high97.4Very high128 Ų12868 Ų6860%0.59835%0.352SS*.EExtended strand (participates in β ladder)trans-80.2-54.9173.7-75-68.516300110.4V37 D39E33-V37 HydrophobicContact CB-CG1 4.29Å; E33-V37 PolarHBondContact N-O 3.27Å; E33-D39 HydrophobicContact CG-CB 4.07Å
34R98.4Very high97.4Very high185 Ų18566.7 Ų66.770%0.69835%0.349SS*.EExtended strand (participates in β ladder)trans-164.2134.3178.1-177.1175.3173.1165.12.8111L36 V37R34-L36 PolarHBondContact O-N 3.15Å; R34-V37 PolarHBondContact N-O 2.9Å; R34-V37 WeakPolarHBondContact O-CA 3.33Å; R34-V37 VanDerWaalsContact O-CB 3.3Å; R34-V37 WeakPolarHBondContact O-CB 3.43Å; R34-V37 PolarHBondContact O-N 3.01Å
35D98.3Very high97.3Very high127 Ų12769.2 Ų69.268%0.67936%0.357SS*.THydrogen-bonded Turntrans53.4-107.5177.5-54.5-36.5000112.2
36L98.3Very high97.2Very high77 Ų7766.2 Ų66.240%0.40334%0.344SS..THydrogen-bonded Turntrans-103.41.8178.1-58.8178.9000113.3M1 V24 E25 R34M1-L36 HydrophobicContact CE-CD1 4.38Å; M1-L36 HydrophobicContact SD-CD1 4.3Å; V24-L36 HydrophobicContact CG1-CD1 3.64Å; V24-L36 HydrophobicContact CG1-CD2 3.96Å; V24-L36 HydrophobicContact CG1-CG 4.49Å; E25-L36 VanDerWaalsContact C-CD2 3.47Å; R34-L36 PolarHBondContact O-N 3.15Å
37V98.4Very high97.1Very high93 Ų9366.5 Ų66.556%0.56434%0.343SS*.EExtended strand (participates in β ladder)trans-86.2129.1178.1-175.10000108.8E33 R34E33-V37 HydrophobicContact CB-CG1 4.29Å; E33-V37 PolarHBondContact N-O 3.27Å; R34-V37 PolarHBondContact N-O 2.9Å; R34-V37 WeakPolarHBondContact O-CA 3.33Å; R34-V37 VanDerWaalsContact O-CB 3.3Å; R34-V37 WeakPolarHBondContact O-CB 3.43Å; R34-V37 PolarHBondContact O-N 3.01Å
38V98.1Very high97Very high20 Ų2072.4 Ų72.412%0.12137%0.371CS..EExtended strand (participates in β ladder)trans-116155178.8-59.80000110.6A26 L27 F30 P31 M40A26-V38 HydrophobicContact CB-CG1 3.81Å; L27-V38 HydrophobicContact CB-CG1 4.03Å; L27-V38 HydrophobicContact CB-CG2 4.08Å; L27-V38 HydrophobicContact CD2-CG2 4.46Å; F30-V38 HydrophobicContact CB-CB 3.6Å; F30-V38 HydrophobicContact CB-CG1 4.04Å; F30-V38 HydrophobicContact CB-CG2 3.82Å; F30-V38 HydrophobicContact CG-CB 4.42Å; F30-V38 HydrophobicContact CG-CG2 4.1Å; P31-V38 CarbonylContact O-C 3.5Å; P31-V38 WeakPolarHBondContact O-CA 3.38Å; P31-V38 VanDerWaalsContact O-CB 3.32Å; P31-V38 WeakPolarHBondContact O-CB 3.36Å; V38-M40 HydrophobicContact CG2-CG 4.12Å; V38-M40 HydrophobicContact CG2-SD 3.8Å
39D97.7Very high96.9Very high49 Ų4972.8 Ų72.826%0.26237%0.374SS..  trans-74.5121.8170.3-175.10.5000109.8F30 P31 E33 T41F30-D39 WeakPolarHBondContact CD1-O 3.43Å; P31-D39 HydrophobicContact CB-CB 4.13Å; P31-D39 HydrophobicContact CG-CB 4.38Å; P31-D39 PolarHBondContact O-N 3.34Å; E33-D39 HydrophobicContact CG-CB 4.07Å; D39-T41 WeakPolarHBondContact OD1-CB 3.29Å; D39-T41 PolarHBondContact OD1-N 3.34Å; D39-T41 PolarHBondContact OD1-OG1 3.4Å
40M96.7Very high96.9Very high45 Ų4569.5 Ų69.522%0.22236%0.357CS..  trans-106.68.5-179.5-66.5-68.8-71.400112.6L27 F30 V38 H42 F43 I44L27-M40 HydrophobicContact CD2-SD 4.43Å; F30-M40 HydrophobicContact CD1-SD 3.72Å; F30-M40 HydrophobicContact CE1-CE 4.19Å; F30-M40 HydrophobicContact CE1-SD 3.53Å; F30-M40 VanDerWaalsContact CE1-SD 3.53Å; F30-M40 HydrophobicContact CE2-SD 4.48Å; F30-M40 HydrophobicContact CG-SD 4.27Å; F30-M40 HydrophobicContact CZ-CE 4.28Å; F30-M40 HydrophobicContact CZ-SD 3.93Å; V38-M40 HydrophobicContact CG2-CG 4.12Å; V38-M40 HydrophobicContact CG2-SD 3.8Å; M40-H42 PolarHBondContact O-N 3.27Å; M40-F43 HydrophobicContact CE-CB 4.14Å; M40-F43 HydrophobicContact CE-CD1 3.39Å; M40-F43 HydrophobicContact CE-CE1 3.92Å; M40-F43 HydrophobicContact CE-CG 3.83Å; M40-F43 WeakPolarHBondContact O-CB 3.2Å; M40-F43 PolarHBondContact O-N 3.43Å; M40-F43 VanDerWaalsContact O-N 3.1Å; M40-I44 HydrophobicContact CB-CD1 4.49Å; M40-I44 WeakPolarHBondContact O-CG1 3.28Å; M40-I44 PolarHBondContact O-N 3.19Å
41T96.6Very high96.9Very high70 Ų7072 Ų7243%0.42937%0.367SS..Hα-helixtrans-54.8-53.4-173.6-60.10000111.7D39 F43 I44 E45D39-T41 WeakPolarHBondContact OD1-CB 3.29Å; D39-T41 PolarHBondContact OD1-N 3.34Å; D39-T41 PolarHBondContact OD1-OG1 3.4Å; T41-F43 VanDerWaalsContact C-N 3.26Å; T41-F43 PolarHBondContact O-N 2.87Å; T41-I44 PolarHBondContact O-N 2.81Å; T41-E45 HydrophobicContact CG2-CG 4.38Å; T41-E45 WeakPolarHBondContact O-CG 3.25Å; T41-E45 PolarHBondContact O-N 3.12Å
42H93.9Very high96.9Very high54 Ų5470.2 Ų70.225%0.2536%0.356CS..Hα-helixtrans-59.4-36178.918073.8000113.4M40 S46 F95 P99M40-H42 PolarHBondContact O-N 3.27Å; H42-S46 PolarHBondContact NE2-OG 3.17Å; H42-S46 WeakPolarHBondContact O-CB 3.41Å; H42-S46 PolarHBondContact O-N 2.75Å; H42-S46 PolarHBondContact O-OG 2.89Å; H42-F95 AromaticContact CD2-CE2 3.62Å; H42-F95 AromaticContact CD2-CZ 3.78Å; H42-F95 AromaticContact NE2-CE2 3.84Å; H42-P99 PolarHBondContact CD2-O 3.33Å; H42-P99 PolarHBondContact CE1-O 3.38Å; H42-P99 PolarHBondContact NE2-O 3.41Å
43F96.1Very high96.9Very high6 Ų670.9 Ų70.93%0.02635%0.352CS..Hα-helixtrans-64.6-43.4175.2167.5-104.5000111.4F30 M40 T41 S46 L47 N84 Y89 A105F30-F43 HydrophobicContact CE1-CB 4.05Å; M40-F43 HydrophobicContact CE-CB 4.14Å; M40-F43 HydrophobicContact CE-CD1 3.39Å; M40-F43 HydrophobicContact CE-CE1 3.92Å; M40-F43 HydrophobicContact CE-CG 3.83Å; M40-F43 WeakPolarHBondContact O-CB 3.2Å; M40-F43 PolarHBondContact O-N 3.43Å; M40-F43 VanDerWaalsContact O-N 3.1Å; T41-F43 VanDerWaalsContact C-N 3.26Å; T41-F43 PolarHBondContact O-N 2.87Å; F43-S46 PolarHBondContact O-N 3.03Å; F43-L47 HydrophobicContact CD1-CD1 4.32Å; F43-L47 HydrophobicContact CE1-CD1 3.66Å; F43-L47 HydrophobicContact CE1-CG 4.35Å; F43-L47 HydrophobicContact CE2-CD1 4.3Å; F43-L47 HydrophobicContact CE2-CD2 4.28Å; F43-L47 HydrophobicContact CE2-CG 4.25Å; F43-L47 HydrophobicContact CZ-CD1 3.64Å; F43-L47 HydrophobicContact CZ-CD2 4.29Å; F43-L47 HydrophobicContact CZ-CG 4.09Å; F43-L47 WeakPolarHBondContact O-CG 3.43Å; F43-L47 PolarHBondContact O-N 3.49Å; F43-L47 VanDerWaalsContact O-N 3.09Å; F43-N84 HydrophobicContact CE1-CB 3.95Å; F43-N84 HydrophobicContact CZ-CB 3.88Å; F43-Y89 HydrophobicContact CD2-CD1 4.44Å; F43-Y89 HydrophobicContact CD2-CD2 4.01Å; F43-Y89 HydrophobicContact CD2-CE1 4.02Å; F43-Y89 AromaticContact CD2-CE2 3.54Å; F43-Y89 HydrophobicContact CD2-CE2 3.54Å; F43-Y89 HydrophobicContact CD2-CG 4.45Å; F43-Y89 AromaticContact CD2-CZ 3.56Å; F43-Y89 HydrophobicContact CE2-CD2 4.09Å; F43-Y89 AromaticContact CE2-CE2 3.51Å; F43-Y89 HydrophobicContact CE2-CE2 3.51Å; F43-Y89 AromaticContact CE2-CZ 3.89Å; F43-A105 HydrophobicContact CE2-CB 4.02Å
44I96.5Very high96.8Very high83 Ų8367.8 Ų67.843%0.42634%0.339SS..Hα-helixtrans-65.3-44.8177.8-65167.8000110.5M40 T41 S46 L47 E48M40-I44 HydrophobicContact CB-CD1 4.49Å; M40-I44 WeakPolarHBondContact O-CG1 3.28Å; M40-I44 PolarHBondContact O-N 3.19Å; T41-I44 PolarHBondContact O-N 2.81Å; I44-S46 VanDerWaalsContact C-N 3.3Å; I44-S46 PolarHBondContact O-N 3.1Å; I44-L47 WeakPolarHBondContact O-CA 3.36Å; I44-L47 WeakPolarHBondContact O-CB 3.36Å; I44-L47 PolarHBondContact O-N 2.98Å; I44-E48 HydrophobicContact CG2-CG 4.47Å; I44-E48 WeakPolarHBondContact O-CG 3.39Å; I44-E48 PolarHBondContact O-N 3.41Å
45E96.5Very high96.7Very high107 Ų10760.1 Ų60.150%0.531%0.311SS..Hα-helixtrans-58-42.4176-69.5172.4162.300111.7T41 L47 E48 A49T41-E45 HydrophobicContact CG2-CG 4.38Å; T41-E45 WeakPolarHBondContact O-CG 3.25Å; T41-E45 PolarHBondContact O-N 3.12Å; E45-L47 VanDerWaalsContact C-N 3.3Å; E45-L47 PolarHBondContact O-N 2.63Å; E45-E48 PolarHBondContact O-N 2.84Å; E45-A49 WeakPolarHBondContact O-CB 3.21Å; E45-A49 PolarHBondContact O-N 3.4Å
46S95.8Very high96.6Very high6 Ų656.7 Ų56.74%0.04231%0.307CS..Hα-helixtrans-62.1-36.6174.5-68.30000112.6H42 F43 I44H42-S46 PolarHBondContact NE2-OG 3.17Å; H42-S46 WeakPolarHBondContact O-CB 3.41Å; H42-S46 PolarHBondContact O-N 2.75Å; H42-S46 PolarHBondContact O-OG 2.89Å; F43-S46 PolarHBondContact O-N 3.03Å; I44-S46 VanDerWaalsContact C-N 3.3Å; I44-S46 PolarHBondContact O-N 3.1Å
47L96.2Very high96.3Very high18 Ų1855.2 Ų55.29%0.09430%0.299CS..Hα-helixtrans-67.8-42.9174-67.6-176.3000111.7F43 I44 E45 I50 P52 N84 A106 L109F43-L47 HydrophobicContact CD1-CD1 4.32Å; F43-L47 HydrophobicContact CE1-CD1 3.66Å; F43-L47 HydrophobicContact CE1-CG 4.35Å; F43-L47 HydrophobicContact CE2-CD1 4.3Å; F43-L47 HydrophobicContact CE2-CD2 4.28Å; F43-L47 HydrophobicContact CE2-CG 4.25Å; F43-L47 HydrophobicContact CZ-CD1 3.64Å; F43-L47 HydrophobicContact CZ-CD2 4.29Å; F43-L47 HydrophobicContact CZ-CG 4.09Å; F43-L47 WeakPolarHBondContact O-CG 3.43Å; F43-L47 PolarHBondContact O-N 3.49Å; F43-L47 VanDerWaalsContact O-N 3.09Å; I44-L47 WeakPolarHBondContact O-CA 3.36Å; I44-L47 WeakPolarHBondContact O-CB 3.36Å; I44-L47 PolarHBondContact O-N 2.98Å; E45-L47 VanDerWaalsContact C-N 3.3Å; E45-L47 PolarHBondContact O-N 2.63Å; L47-I50 VanDerWaalsContact O-CD1 3.32Å; L47-I50 WeakPolarHBondContact O-CD1 3.33Å; L47-I50 VanDerWaalsContact O-CG1 3.28Å; L47-I50 WeakPolarHBondContact O-CG1 3.46Å; L47-I50 PolarHBondContact O-N 2.72Å; L47-P52 WeakPolarHBondContact O-CD 3.39Å; L47-P52 WeakPolarHBondContact O-CG 3.35Å; L47-N84 HydrophobicContact CD1-CB 4.42Å; L47-A106 HydrophobicContact CD2-CB 4.38Å; L47-L109 HydrophobicContact CD2-CD1 3.53Å
48E96.5Very high96Very high136 Ų13656.1 Ų56.164%0.63631%0.31SS*.Hα-helixtrans-65-41.5178.6-69.6-179169.700111.8I44 E45 I50 K51I44-E48 HydrophobicContact CG2-CG 4.47Å; I44-E48 WeakPolarHBondContact O-CG 3.39Å; I44-E48 PolarHBondContact O-N 3.41Å; E45-E48 PolarHBondContact O-N 2.84Å; E48-I50 PolarHBondContact O-N 3.15Å; E48-K51 PolarHBondContact O-N 3.07Å
49A95.4Very high95.7Very high40 Ų4059.9 Ų59.933%0.33132%0.321SS..Hα-helixtrans-57.3-35.5179.500000112.8E45 K51E45-A49 WeakPolarHBondContact O-CB 3.21Å; E45-A49 PolarHBondContact O-N 3.4Å; A49-K51 VanDerWaalsContact C-N 3.29Å; A49-K51 PolarHBondContact O-N 3.48Å
50I96.6Very high95.3Very high0 Ų060.6 Ų60.60%033%0.328CS..THydrogen-bonded Turntrans-84.20.7178.764.671.7000114L47 E48 P52 A106 L109 A110 R125 Q128L47-I50 VanDerWaalsContact O-CD1 3.32Å; L47-I50 WeakPolarHBondContact O-CD1 3.33Å; L47-I50 VanDerWaalsContact O-CG1 3.28Å; L47-I50 WeakPolarHBondContact O-CG1 3.46Å; L47-I50 PolarHBondContact O-N 2.72Å; E48-I50 PolarHBondContact O-N 3.15Å; I50-P52 HydrophobicContact CD1-CB 3.55Å; I50-P52 HydrophobicContact CD1-CG 4.06Å; I50-A106 HydrophobicContact CG1-CB 4.44Å; I50-A106 HydrophobicContact CG2-CB 4.4Å; I50-L109 HydrophobicContact CD1-CB 4.19Å; I50-A110 HydrophobicContact CB-CB 3.93Å; I50-A110 HydrophobicContact CG1-CB 4.37Å; I50-A110 HydrophobicContact CG2-CB 4.1Å; I50-R125 WeakPolarHBondContact O-CD 3.39Å; I50-R125 VanDerWaalsContact O-CG 3.27Å; I50-R125 WeakPolarHBondContact O-CG 3.4Å; I50-R125 PolarHBondContact O-NE 3.2Å; I50-Q128 HydrophobicContact CG2-CB 4.47Å
51K97.2Very high95Very high72 Ų7263.3 Ų63.331%0.31336%0.357SS..  trans50.774.2177.5-56.7-177-178.2-170.70112.7E48 A49 Y53 I55 E124 R125E48-K51 PolarHBondContact O-N 3.07Å; A49-K51 VanDerWaalsContact C-N 3.29Å; A49-K51 PolarHBondContact O-N 3.48Å; K51-Y53 HydrophobicContact CB-CD1 4.34Å; K51-Y53 HydrophobicContact CB-CE1 3.69Å; K51-Y53 HydrophobicContact CB-CE2 4.44Å; K51-Y53 HydrophobicContact CG-CE1 4.26Å; K51-Y53 PolarHBondContact O-N 2.91Å; K51-I55 HydrophobicContact CB-CD1 3.82Å; K51-I55 HydrophobicContact CD-CD1 3.81Å; K51-I55 HydrophobicContact CG-CD1 4.49Å; K51-E124 IonicContact NZ-OE2 3.35Å; K51-E124 PolarHBondContact NZ-OE2 3.45Å; K51-R125 PolarHBondContact O-NE 2.89Å; K51-R125 PolarHBondContact O-NH2 2.88Å
52P96.5Very high94.8Very high47 Ų4766.4 Ų66.431%0.30537%0.371SS..  trans-82.854.3-169.331.5-28.2000111.8L47 I50 Y113L47-P52 WeakPolarHBondContact O-CD 3.39Å; L47-P52 WeakPolarHBondContact O-CG 3.35Å; I50-P52 HydrophobicContact CD1-CB 3.55Å; I50-P52 HydrophobicContact CD1-CG 4.06Å; P52-Y113 VanDerWaalsContact C-OH 3.28Å; P52-Y113 HydrophobicContact CB-CD2 4.38Å; P52-Y113 HydrophobicContact CB-CE2 3.75Å; P52-Y113 WeakPolarHBondContact O-CE2 3.34Å; P52-Y113 PolarHBondContact O-OH 2.59Å
53Y96.7Very high94.8Very high125 Ų12568.8 Ų68.849%0.4938%0.382SS..SBendtrans-148.3162.2179.352.6-95.6000110.5K51 I55 R125K51-Y53 HydrophobicContact CB-CD1 4.34Å; K51-Y53 HydrophobicContact CB-CE1 3.69Å; K51-Y53 HydrophobicContact CB-CE2 4.44Å; K51-Y53 HydrophobicContact CG-CE1 4.26Å; K51-Y53 PolarHBondContact O-N 2.91Å; Y53-I55 HydrophobicContact CD2-CD1 4.49Å; Y53-I55 HydrophobicContact CD2-CG1 3.76Å; Y53-I55 HydrophobicContact CE2-CD1 3.99Å; Y53-I55 HydrophobicContact CE2-CG1 3.52Å; Y53-I55 PolarHBondContact O-N 3.18Å; Y53-R125 PolarHBondContact O-NH2 3.38Å
54I96.7Very high94.7Very high64 Ų6470.3 Ų70.333%0.32840%0.4SS..  trans-68.9125.4179.2-60.5-64.5000110.6N57 Y113 R118 D119I54-N57 HydrophobicContact CG2-CB 3.63Å; I54-Y113 HydrophobicContact CD1-CD1 4.04Å; I54-Y113 HydrophobicContact CD1-CE1 3.99Å; I54-Y113 HydrophobicContact CG1-CE1 4.44Å; I54-R118 HydrophobicContact CD1-CB 4.41Å; I54-R118 VanDerWaalsContact CG2-O 3.22Å; I54-R118 WeakPolarHBondContact CG2-O 3.45Å; I54-D119 VanDerWaalsContact CA-OD2 3.28Å; I54-D119 WeakPolarHBondContact CA-OD2 3.42Å; I54-D119 HydrophobicContact CD1-CB 3.93Å
55I97Very high94.5Very high23 Ų2372.3 Ų72.312%0.11842%0.416CS..  trans-111.9141.3179.2-62.6172.9000110.4K51 Y53 N57 D119 H120K51-I55 HydrophobicContact CB-CD1 3.82Å; K51-I55 HydrophobicContact CD-CD1 3.81Å; K51-I55 HydrophobicContact CG-CD1 4.49Å; Y53-I55 HydrophobicContact CD2-CD1 4.49Å; Y53-I55 HydrophobicContact CD2-CG1 3.76Å; Y53-I55 HydrophobicContact CE2-CD1 3.99Å; Y53-I55 HydrophobicContact CE2-CG1 3.52Å; Y53-I55 PolarHBondContact O-N 3.18Å; I55-N57 VanDerWaalsContact C-N 3.26Å; I55-N57 PolarHBondContact O-N 2.96Å; I55-D119 PolarHBondContact N-OD2 3.19Å; I55-H120 PolarHBondContact O-N 3.26Å
56G94.6Very high94.4Very high56 Ų5670.3 Ų70.358%0.57741%0.409SS*.SBendtrans75.86169.700000115.5H120G56-H120 PolarHBondContact O-CD2 2.93Å
57N92.9Very high94.3Very high46 Ų4676.9 Ų76.925%0.24644%0.442CS..  trans-87.9111.5174.3-170.6-25.5000110.4I54 I55 R59 N66 R118I54-N57 HydrophobicContact CG2-CB 3.63Å; I55-N57 VanDerWaalsContact C-N 3.26Å; I55-N57 PolarHBondContact O-N 2.96Å; N57-R59 VanDerWaalsContact C-N 3.29Å; N57-R59 PolarHBondContact O-N 2.97Å; N57-R59 WeakPolarHBondContact OD1-CB 3.36Å; N57-R59 PolarHBondContact OD1-N 3.41Å; N57-N66 PolarHBondContact ND2-OD1 3.2Å; N57-R118 WeakPolarHBondContact CB-O 3.48Å; N57-R118 PolarHBondContact ND2-O 2.89Å; N57-R118 VanDerWaalsContact ND2-O 3.15Å
58S91.3Very high94.3Very high112 Ų11278.1 Ų78.178%0.78345%0.447SS*.  trans-83.9-0.1-179640000114T60S58-T60 PolarHBondContact O-N 3.42Å
59R91.6Very high94.4Very high98 Ų9874.8 Ų74.837%0.3744%0.436SS..  trans-71.1125.7-178.4-166.5-176.9-168.894.4-2.4110.2N57 Q63 G64 T65N57-R59 VanDerWaalsContact C-N 3.29Å; N57-R59 PolarHBondContact O-N 2.97Å; N57-R59 WeakPolarHBondContact OD1-CB 3.36Å; N57-R59 PolarHBondContact OD1-N 3.41Å; R59-Q63 VanDerWaalsContact CA-OE1 3.29Å; R59-Q63 HydrophobicContact CG-CB 3.99Å; R59-Q63 PolarHBondContact NH2-O 3.08Å; R59-G64 PolarHBondContact NE-O 3.07Å; R59-T65 PolarHBondContact NE-O 3.14Å; R59-T65 VanDerWaalsContact NE-O 3.07Å
60T90.5Very high94.5Very high65 Ų6578.3 Ų78.340%0.39946%0.456SS..  trans-95.7161.3178.454.80000111.2S58 D62 Q63S58-T60 PolarHBondContact O-N 3.42Å; T60-D62 VanDerWaalsContact C-N 3.27Å; T60-D62 WeakPolarHBondContact CB-OD1 3.39Å; T60-D62 PolarHBondContact O-N 3.02Å; T60-D62 PolarHBondContact OG1-OD1 3.01Å; T60-Q63 WeakPolarHBondContact O-CB 3.36Å; T60-Q63 PolarHBondContact O-N 2.87Å; T60-Q63 VanDerWaalsContact O-N 3.1Å; T60-Q63 WeakPolarHBondContact OG1-CG 3.44Å; T60-Q63 PolarHBondContact OG1-OE1 3.35Å
61A89Confident94.6Very high101 Ų10181.7 Ų81.784%0.83548%0.483SS*.G310 helixtrans-63.4-31.1-17500000113.4Q63 G64A61-Q63 PolarHBondContact O-N 3.34Å; A61-G64 PolarHBondContact O-N 3.21Å; A61-G64 VanDerWaalsContact O-N 3.09Å
62D93.9Very high94.7Very high136 Ų13681.4 Ų81.473%0.72748%0.483SS*.G310 helixtrans-66.6-23.8175.758.7-65.7000113.1T60 G64T60-D62 VanDerWaalsContact C-N 3.27Å; T60-D62 WeakPolarHBondContact CB-OD1 3.39Å; T60-D62 PolarHBondContact O-N 3.02Å; T60-D62 PolarHBondContact OG1-OD1 3.01Å; D62-G64 PolarHBondContact O-N 3.12Å
63Q93.5Very high94.7Very high104 Ų10483.1 Ų83.149%0.48649%0.488SS..G310 helixtrans-79.7-1.5174.4-61.5174.1-27.900112.1R59 T60 A61R59-Q63 VanDerWaalsContact CA-OE1 3.29Å; R59-Q63 HydrophobicContact CG-CB 3.99Å; R59-Q63 PolarHBondContact NH2-O 3.08Å; T60-Q63 WeakPolarHBondContact O-CB 3.36Å; T60-Q63 PolarHBondContact O-N 2.87Å; T60-Q63 VanDerWaalsContact O-N 3.1Å; T60-Q63 WeakPolarHBondContact OG1-CG 3.44Å; T60-Q63 PolarHBondContact OG1-OE1 3.35Å; A61-Q63 PolarHBondContact O-N 3.34Å
64G92.9Very high94.8Very high38 Ų3880.4 Ų80.439%0.39249%0.491SS..  trans83.6-175.6-176.700000113.6R59 A61 D62R59-G64 PolarHBondContact NE-O 3.07Å; A61-G64 PolarHBondContact O-N 3.21Å; A61-G64 VanDerWaalsContact O-N 3.09Å; D62-G64 PolarHBondContact O-N 3.12Å
65T93.5Very high94.8Very high125 Ų12583.2 Ų83.277%0.76750%0.501SS*.SBendtrans-65.2153.8-173.5580000113R59R59-T65 PolarHBondContact NE-O 3.14Å; R59-T65 VanDerWaalsContact NE-O 3.07Å
66N93.7Very high94.8Very high65 Ų6582.7 Ų82.735%0.34850%0.498SS..PPolyproline II helixtrans-63.9137.7169.3-77.9-66.6000110.6N57 R118N57-N66 PolarHBondContact ND2-OD1 3.2Å; N66-R118 HydrophobicContact CB-CG 3.96Å
67I93.7Very high94.9Very high143 Ų14385 Ų8573%0.73349%0.494SS*.PPolyproline II helixtrans-82.2126175.6-56.1176.7000108.7
68Q97.2Very high95.1Very high44 Ų4487.7 Ų87.721%0.20651%0.505CS..  trans-147.4130.7175.7-177.1168.472.300109.4Q72 M73 Y76 D116 S117Q68-Q72 HydrophobicContact CG-CB 3.72Å; Q68-M73 HydrophobicContact CG-CB 4.4Å; Q68-Y76 PolarHBondContact OE1-OH 3.46Å; Q68-D116 PolarHBondContact NE2-OD1 3.11Å; Q68-S117 PolarHBondContact NE2-OG 3.46Å
69T98.1Very high95.4Very high66 Ų6682.8 Ų82.841%0.40547%0.469SS..  trans-79.3154.8175.670.40000110.5A71 Q72 M73T69-A71 PolarHBondContact O-N 3.26Å; T69-Q72 WeakPolarHBondContact O-CB 3.01Å; T69-Q72 PolarHBondContact O-N 3.29Å; T69-Q72 WeakPolarHBondContact OG1-CG 3.44Å; T69-Q72 PolarHBondContact OG1-N 2.74Å; T69-M73 PolarHBondContact O-N 2.89Å
70P98.1Very high95.6Very high115 Ų11580.6 Ų80.675%0.74747%0.469SS*.Hα-helixtrans-54-36.1172.9-28.135.9000113Q72 M73 A74P70-Q72 PolarHBondContact O-N 2.91Å; P70-M73 PolarHBondContact O-N 3.23Å; P70-A74 WeakPolarHBondContact O-CB 3.4Å; P70-A74 PolarHBondContact O-N 3.02Å
71A98.4Very high95.9Very high70 Ų7078.7 Ų78.758%0.57946%0.463SS*.Hα-helixtrans-66.3-34.3176.500000113T69T69-A71 PolarHBondContact O-N 3.26Å
72Q98.2Very high96.4Very high67 Ų6775.6 Ų75.631%0.31343%0.434SS..Hα-helixtrans-70.1-44173.5-74.3168.6-29.200111.3Q68 T69 P70 A74 K75 S117Q68-Q72 HydrophobicContact CG-CB 3.72Å; T69-Q72 WeakPolarHBondContact O-CB 3.01Å; T69-Q72 PolarHBondContact O-N 3.29Å; T69-Q72 WeakPolarHBondContact OG1-CG 3.44Å; T69-Q72 PolarHBondContact OG1-N 2.74Å; P70-Q72 PolarHBondContact O-N 2.91Å; Q72-A74 VanDerWaalsContact C-N 3.32Å; Q72-A74 PolarHBondContact O-N 3.23Å; Q72-K75 PolarHBondContact O-N 3.01Å; Q72-S117 PolarHBondContact OE1-OG 3.4Å
73M97.4Very high96.5Very high83 Ų8373.2 Ų73.241%0.40942%0.421SS..Hα-helixtrans-62.6-39.6176.6179.5-178.8164.200112Q68 T69 P70 K75 Y76 H77Q68-M73 HydrophobicContact CG-CB 4.4Å; T69-M73 PolarHBondContact O-N 2.89Å; P70-M73 PolarHBondContact O-N 3.23Å; M73-K75 PolarHBondContact O-N 3.41Å; M73-K75 VanDerWaalsContact O-N 3.16Å; M73-Y76 PolarHBondContact O-N 3.09Å; M73-H77 WeakPolarHBondContact O-CB 3.48Å; M73-H77 PolarHBondContact O-N 3.41Å; M73-H77 VanDerWaalsContact O-N 3.09Å
74A97.7Very high96.7Very high67 Ų6771.8 Ų71.855%0.55442%0.416SS*.Hα-helixtrans-57.9-29.9-178.700000113.3P70 Q72 Y76P70-A74 WeakPolarHBondContact O-CB 3.4Å; P70-A74 PolarHBondContact O-N 3.02Å; Q72-A74 VanDerWaalsContact C-N 3.32Å; Q72-A74 PolarHBondContact O-N 3.23Å; A74-Y76 VanDerWaalsContact C-N 3.33Å; A74-Y76 PolarHBondContact O-N 3.36Å
75K97.2Very high96.9Very high124 Ų12471.8 Ų71.854%0.53941%0.41SS..Hα-helixtrans-60.6-38.5-179.3-66.8-175.6175.5-170.80113.6Q72 M73 E115Q72-K75 PolarHBondContact O-N 3.01Å; M73-K75 PolarHBondContact O-N 3.41Å; M73-K75 VanDerWaalsContact O-N 3.16Å; K75-E115 HydrophobicContact CB-CB 4.25Å
76Y97.2Very high97.1Very high12 Ų1265.9 Ų65.95%0.04737%0.374CS..Hα-helixtrans-109.5-8.7-176.470.2-101.9000113.6Q68 M73 A74 Q78 F79 S80 R112 D116 R118Q68-Y76 PolarHBondContact OE1-OH 3.46Å; M73-Y76 PolarHBondContact O-N 3.09Å; A74-Y76 VanDerWaalsContact C-N 3.33Å; A74-Y76 PolarHBondContact O-N 3.36Å; Y76-Q78 VanDerWaalsContact C-N 3.3Å; Y76-Q78 PolarHBondContact O-N 3.4Å; Y76-F79 WeakPolarHBondContact O-CA 3.37Å; Y76-F79 PolarHBondContact O-N 2.91Å; Y76-S80 PolarHBondContact O-N 3.01Å; Y76-R112 WeakPolarHBondContact CB-O 3.26Å; Y76-R112 HydrophobicContact CD2-CG 3.99Å; Y76-R112 HydrophobicContact CG-CG 4.45Å; Y76-D116 HydrophobicContact CD1-CB 4.06Å; Y76-D116 HydrophobicContact CE1-CB 4.09Å; Y76-R118 PolarHBondContact OH-NH2 3.46Å
77H97.4Very high97.3Very high105 Ų10563 Ų6349%0.48636%0.358SS..Hα-helixtrans-54.6-43.3-172.1-179.7-107.5000112.9M73 F79 S80M73-H77 WeakPolarHBondContact O-CB 3.48Å; M73-H77 PolarHBondContact O-N 3.41Å; M73-H77 VanDerWaalsContact O-N 3.09Å; H77-F79 PolarHBondContact O-N 3.41Å; H77-S80 WeakPolarHBondContact O-CB 3.46Å; H77-S80 PolarHBondContact O-N 3.16Å; H77-S80 PolarHBondContact O-OG 3.19Å
78Q96.5Very high97.6Very high102 Ų10256.8 Ų56.848%0.47733%0.328SS..G310 helixtrans-52.3-39.3176-171.273.322.100111.9Y76 H151 V152Y76-Q78 VanDerWaalsContact C-N 3.3Å; Y76-Q78 PolarHBondContact O-N 3.4Å; Q78-H151 PolarHBondContact NE2-O 3.03Å; Q78-V152 WeakPolarHBondContact O-CA 3.35Å
79F97.5Very high97.6Very high8 Ų854.7 Ų54.74%0.03532%0.318CS..G310 helixtrans-86.8-9.5-174.8-48.7-52.9000113.3Y76 H77 T108 H111 R112 V152 A157Y76-F79 WeakPolarHBondContact O-CA 3.37Å; Y76-F79 PolarHBondContact O-N 2.91Å; H77-F79 PolarHBondContact O-N 3.41Å; F79-T108 HydrophobicContact CB-CG2 3.9Å; F79-T108 HydrophobicContact CD1-CG2 3.94Å; F79-T108 HydrophobicContact CG-CG2 4.26Å; F79-H111 AromaticContact CD2-CD2 3.46Å; F79-H111 VanDerWaalsContact CD2-CD2 3.46Å; F79-H111 WeakPolarHBondContact CD2-CD2 3.37Å; F79-H111 AromaticContact CD2-NE2 3.91Å; F79-H111 AromaticContact CE2-CD2 3.26Å; F79-H111 WeakPolarHBondContact CE2-CD2 3.46Å; F79-H111 AromaticContact CE2-NE2 3.29Å; F79-H111 VanDerWaalsContact CE2-NE2 3.29Å; F79-H111 WeakPolarHBondContact CE2-NE2 3.24Å; F79-H111 AromaticContact CZ-CD2 3.77Å; F79-H111 AromaticContact CZ-NE2 3.84Å; F79-R112 HydrophobicContact CB-CB 3.79Å; F79-R112 HydrophobicContact CB-CG 4.43Å; F79-V152 WeakPolarHBondContact CD1-O 3.35Å; F79-A157 HydrophobicContact CD1-CB 3.8Å; F79-A157 HydrophobicContact CE1-CB 3.7Å; F79-A157 HydrophobicContact CG-CB 4.45Å; F79-A157 HydrophobicContact CZ-CB 4.27Å
80S97Very high97.6Very high52 Ų5252 Ų5236%0.36430%0.303SS..G310 helixtrans-80.3-14.7-17672.50000114.5Y76 H77 C82Y76-S80 PolarHBondContact O-N 3.01Å; H77-S80 WeakPolarHBondContact O-CB 3.46Å; H77-S80 PolarHBondContact O-N 3.16Å; H77-S80 PolarHBondContact O-OG 3.19Å; S80-C82 PolarHBondContact O-N 3.14Å
81G96.7Very high97.5Very high26 Ų2647 Ų4727%0.26827%0.271SS..G310 helixtrans-80.27.1-175.400000115.7K150 V152G81-K150 WeakPolarHBondContact O-CB 3.26Å; G81-K150 WeakPolarHBondContact O-CG 3.46Å; G81-V152 VanDerWaalsContact C-CG2 3.41Å
82C97.7Very high97.5Very high36 Ų3644.5 Ų44.524%0.24325%0.249CC..  trans-64133.9-179.5-171.80000111S80 N84 L109 V152S80-C82 PolarHBondContact O-N 3.14Å; C82-N84 PolarHBondContact SG-N 3.31Å; C82-N84 VanDerWaalsContact SG-N 3.4Å; C82-N84 PolarHBondContact SG-OD1 2.97Å; C82-L109 HydrophobicContact CB-CD2 4.07Å; C82-L109 HydrophobicContact CB-CG 4.43Å; C82-V152 HydrophobicContact CB-CG1 4.4Å
83I97.4Very high97.4Very high86 Ų8644 Ų4444%0.44125%0.252SS..  trans-111.814.2177.360.2162.8000112.4L9 C85 P149 K150L9-I83 HydrophobicContact CD1-CD1 3.92Å; I83-C85 HydrophobicContact CD1-CB 3.91Å; I83-C85 HydrophobicContact CG1-CB 3.9Å; I83-C85 PolarHBondContact O-N 3.11Å; I83-C85 VanDerWaalsContact O-N 3.15Å; I83-P149 HydrophobicContact CD1-CG 4.42Å; I83-K150 HydrophobicContact CD1-CG 4.39Å; I83-K150 HydrophobicContact CG1-CG 4.26Å; I83-K150 HydrophobicContact CG2-CD 4.36Å; I83-K150 HydrophobicContact CG2-CG 4.04Å
84N97.4Very high97.4Very high73 Ų7342.4 Ų42.439%0.3924%0.243SC..  trans53.836.2178.1-60.7-17.3000114.5F43 L47 C82F43-N84 HydrophobicContact CE1-CB 3.95Å; F43-N84 HydrophobicContact CZ-CB 3.88Å; L47-N84 HydrophobicContact CD1-CB 4.42Å; C82-N84 PolarHBondContact SG-N 3.31Å; C82-N84 VanDerWaalsContact SG-N 3.4Å; C82-N84 PolarHBondContact SG-OD1 2.97Å
85C97.6Very high97.3Very high38 Ų3839.6 Ų39.626%0.25722%0.218SC..  trans-83-6.5-174.265.50000115.9L9 I83 L87L9-C85 HydrophobicContact CD2-CB 3.89Å; I83-C85 HydrophobicContact CD1-CB 3.91Å; I83-C85 HydrophobicContact CG1-CB 3.9Å; I83-C85 PolarHBondContact O-N 3.11Å; I83-C85 VanDerWaalsContact O-N 3.15Å; C85-L87 HydrophobicContact CB-CG 4.49Å; C85-L87 PolarHBondContact O-N 3.31Å; C85-L87 VanDerWaalsContact O-N 3.14Å
86G97.4Very high97.2Very high2 Ų235.4 Ų35.42%0.02121%0.21CC..  trans73.1-5.417900000117C88 Y89 A90G86-C88 VanDerWaalsContact C-N 3.27Å; G86-C88 PolarHBondContact O-N 3.21Å; G86-Y89 WeakPolarHBondContact O-CB 3.46Å; G86-Y89 PolarHBondContact O-N 3.24Å; G86-A90 PolarHBondContact O-N 2.79Å
87L98.3Very high97.1Very high3 Ų341.4 Ų41.42%0.01624%0.243CC..Hα-helixtrans-58.9-35.9-176.1-62-172.9000113.7P7 L9 L27 C85 Y89 A90 A91 V147 P149P7-L87 HydrophobicContact CB-CB 4Å; P7-L87 HydrophobicContact CB-CD2 3.85Å; P7-L87 HydrophobicContact CB-CG 4.42Å; L9-L87 HydrophobicContact CD2-CD1 4.06Å; L9-L87 HydrophobicContact CG-CD1 4.01Å; L27-L87 HydrophobicContact CD1-CD2 3.72Å; C85-L87 HydrophobicContact CB-CG 4.49Å; C85-L87 PolarHBondContact O-N 3.31Å; C85-L87 VanDerWaalsContact O-N 3.14Å; L87-Y89 VanDerWaalsContact C-N 3.29Å; L87-Y89 PolarHBondContact O-N 3.02Å; L87-A90 PolarHBondContact O-N 3.06Å; L87-A91 WeakPolarHBondContact O-CB 3.4Å; L87-A91 PolarHBondContact O-N 2.64Å; L87-V147 HydrophobicContact CB-CG2 4.31Å; L87-P149 HydrophobicContact CD1-CG 4.13Å
88C98.2Very high97Very high14 Ų1438.8 Ų38.810%0.09523%0.232CC..Hα-helixtrans-67-28.2176.552.10000113.3G86 C92 P104 C144 P154G86-C88 VanDerWaalsContact C-N 3.27Å; G86-C88 PolarHBondContact O-N 3.21Å; C88-C92 WeakPolarHBondContact O-CB 3.39Å; C88-C92 PolarHBondContact O-N 2.78Å; C88-P104 HydrophobicContact CB-CB 4.16Å; C88-P104 HydrophobicContact CB-CG 3.72Å; C88-P104 WeakPolarHBondContact O-CG 3.46Å; C88-C144 HydrophobicContact CB-CB 3.67Å; C88-P154 HydrophobicContact CB-CG 4.49Å
89Y97.8Very high96.7Very high0 Ų037.7 Ų37.70%023%0.234CC..Hα-helixtrans-73.5-42.9174.5-76.1-112.3000110.5N29 F30 F43 G86 L87 A91 C92 F95 I102 P104 A105 A106N29-Y89 PolarHBondContact ND2-O 3.23Å; F30-Y89 VanDerWaalsContact CZ-CB 3.49Å; F30-Y89 HydrophobicContact CZ-CD1 4.38Å; F30-Y89 HydrophobicContact CZ-CG 4.04Å; F43-Y89 HydrophobicContact CD2-CD1 4.44Å; F43-Y89 HydrophobicContact CD2-CD2 4.01Å; F43-Y89 HydrophobicContact CD2-CE1 4.02Å; F43-Y89 AromaticContact CD2-CE2 3.54Å; F43-Y89 HydrophobicContact CD2-CE2 3.54Å; F43-Y89 HydrophobicContact CD2-CG 4.45Å; F43-Y89 AromaticContact CD2-CZ 3.56Å; F43-Y89 HydrophobicContact CE2-CD2 4.09Å; F43-Y89 AromaticContact CE2-CE2 3.51Å; F43-Y89 HydrophobicContact CE2-CE2 3.51Å; F43-Y89 AromaticContact CE2-CZ 3.89Å; G86-Y89 WeakPolarHBondContact O-CB 3.46Å; G86-Y89 PolarHBondContact O-N 3.24Å; L87-Y89 VanDerWaalsContact C-N 3.29Å; L87-Y89 PolarHBondContact O-N 3.02Å; Y89-A91 PolarHBondContact O-N 3.49Å; Y89-C92 PolarHBondContact O-N 3.07Å; Y89-F95 AromaticContact CD1-CD1 3.8Å; Y89-F95 HydrophobicContact CD1-CD1 3.8Å; Y89-F95 AromaticContact CD1-CD2 3.67Å; Y89-F95 HydrophobicContact CD1-CD2 3.67Å; Y89-F95 AromaticContact CD1-CE1 3.75Å; Y89-F95 HydrophobicContact CD1-CE1 3.75Å; Y89-F95 AromaticContact CD1-CE2 3.62Å; Y89-F95 HydrophobicContact CD1-CE2 3.62Å; Y89-F95 AromaticContact CD1-CG 3.76Å; Y89-F95 HydrophobicContact CD1-CG 3.76Å; Y89-F95 AromaticContact CD1-CZ 3.67Å; Y89-F95 HydrophobicContact CD1-CZ 3.67Å; Y89-F95 HydrophobicContact CE1-CD2 4.07Å; Y89-F95 AromaticContact CE1-CE2 3.92Å; Y89-F95 HydrophobicContact CE1-CE2 3.92Å; Y89-F95 HydrophobicContact CE1-CZ 4.29Å; Y89-F95 HydrophobicContact CG-CD1 4.35Å; Y89-F95 HydrophobicContact CG-CE1 4.45Å; Y89-I102 WeakPolarHBondContact CE1-O 3.45Å; Y89-I102 PolarHBondContact OH-O 3.41Å; Y89-P104 HydrophobicContact CD2-CG 4.08Å; Y89-P104 HydrophobicContact CE2-CG 4.18Å; Y89-A105 HydrophobicContact CD2-CB 4.44Å; Y89-A105 HydrophobicContact CE2-CB 3.58Å; Y89-A106 WeakPolarHBondContact OH-CB 3.28Å; Y89-A106 PolarHBondContact OH-N 3.47Å; Y89-A106 VanDerWaalsContact OH-N 3.16Å
90A97.8Very high96.5Very high9 Ų943 Ų437%0.07426%0.259CS..Hα-helixtrans-63.2-31.9175.200000113.2M2 P7 L27 A28 N29 G86 L87 C92M2-A90 HydrophobicContact SD-CB 4.06Å; P7-A90 HydrophobicContact CB-CB 4.02Å; P7-A90 HydrophobicContact CG-CB 3.84Å; L27-A90 HydrophobicContact CD1-CB 3.36Å; L27-A90 HydrophobicContact CG-CB 3.72Å; A28-A90 HydrophobicContact CB-CB 4.24Å; A28-A90 VanDerWaalsContact O-CA 3.28Å; A28-A90 WeakPolarHBondContact O-CA 3.46Å; A28-A90 WeakPolarHBondContact O-CB 3.41Å; N29-A90 PolarHBondContact ND2-O 3.26Å; G86-A90 PolarHBondContact O-N 2.79Å; L87-A90 PolarHBondContact O-N 3.06Å; A90-C92 VanDerWaalsContact C-N 3.34Å
91A97.5Very high96.4Very high10 Ų1040.6 Ų40.68%0.08324%0.242CC..THydrogen-bonded Turntrans-77.4-16173.700000114P7 L87 Y89 P93 Y143 V147P7-A91 HydrophobicContact CG-CB 4.12Å; L87-A91 WeakPolarHBondContact O-CB 3.4Å; L87-A91 PolarHBondContact O-N 2.64Å; Y89-A91 PolarHBondContact O-N 3.49Å; A91-P93 VanDerWaalsContact O-CD 3.29Å; A91-P93 WeakPolarHBondContact O-CD 3.49Å; A91-Y143 HydrophobicContact CB-CD1 3.54Å; A91-Y143 HydrophobicContact CB-CE1 4.07Å; A91-Y143 HydrophobicContact CB-CG 4.15Å; A91-V147 HydrophobicContact CB-CB 4.39Å; A91-V147 HydrophobicContact CB-CG1 3.96Å; A91-V147 HydrophobicContact CB-CG2 3.56Å
92C97.7Very high96.4Very high18 Ų1840 Ų4012%0.12223%0.232CC..  trans-90.3113.5-170.3-173.80000111.3N29 C88 Y89 A90 Q94 F95 G96 P104N29-C92 PolarHBondContact ND2-O 3.29Å; N29-C92 VanDerWaalsContact ND2-O 3.15Å; C88-C92 WeakPolarHBondContact O-CB 3.39Å; C88-C92 PolarHBondContact O-N 2.78Å; Y89-C92 PolarHBondContact O-N 3.07Å; A90-C92 VanDerWaalsContact C-N 3.34Å; C92-Q94 VanDerWaalsContact C-N 3.29Å; C92-Q94 PolarHBondContact O-N 3.09Å; C92-F95 HydrophobicContact CB-CB 3.92Å; C92-F95 PolarHBondContact O-N 3.45Å; C92-G96 PolarHBondContact O-N 2.94Å; C92-G96 VanDerWaalsContact O-N 3.16Å; C92-P104 HydrophobicContact CB-CG 4.48Å
93P96.2Very high96.4Very high57 Ų5738.3 Ų38.337%0.3722%0.221SC..Hα-helixtrans-67.7-29.8176.626.1-33.4000112.5A91 F95 G96 L97 V141A91-P93 VanDerWaalsContact O-CD 3.29Å; A91-P93 WeakPolarHBondContact O-CD 3.49Å; P93-F95 VanDerWaalsContact C-N 3.34Å; P93-G96 PolarHBondContact O-N 3.21Å; P93-L97 VanDerWaalsContact O-CG 3.32Å; P93-L97 WeakPolarHBondContact O-CG 3.45Å; P93-L97 PolarHBondContact O-N 3.36Å; P93-V141 HydrophobicContact CG-CB 4.42Å; P93-V141 HydrophobicContact CG-CG1 4.4Å; P93-V141 HydrophobicContact CG-CG2 3.77Å
94Q96.4Very high96.4Very high48 Ų4834.2 Ų34.222%0.22420%0.2CC..Hα-helixtrans-66.7-37.8177.5-66.2-57.9-45.800112C92 L97 N98 F101 S137 T139C92-Q94 VanDerWaalsContact C-N 3.29Å; C92-Q94 PolarHBondContact O-N 3.09Å; Q94-L97 PolarHBondContact O-N 2.93Å; Q94-N98 PolarHBondContact O-N 3.49Å; Q94-F101 HydrophobicContact CB-CD1 4.17Å; Q94-F101 HydrophobicContact CB-CE1 4.35Å; Q94-S137 WeakPolarHBondContact CG-O 3.17Å; Q94-T139 HydrophobicContact CG-CG2 4.06Å; Q94-T139 PolarHBondContact NE2-OG1 2.73Å
95F96Very high96.4Very high8 Ų831 Ų314%0.03518%0.183CC..Hα-helixtrans-67.3-39.9172.9-173.7-106.1000111.4N29 F30 H42 Y89 C92 P93 L97 N98 F101N29-F95 HydrophobicContact CB-CD1 3.69Å; N29-F95 HydrophobicContact CB-CE1 4.07Å; N29-F95 WeakPolarHBondContact O-CE1 3.46Å; F30-F95 HydrophobicContact CE1-CE1 4.31Å; F30-F95 HydrophobicContact CZ-CE1 4.3Å; H42-F95 AromaticContact CD2-CE2 3.62Å; H42-F95 AromaticContact CD2-CZ 3.78Å; H42-F95 AromaticContact NE2-CE2 3.84Å; Y89-F95 AromaticContact CD1-CD1 3.8Å; Y89-F95 HydrophobicContact CD1-CD1 3.8Å; Y89-F95 AromaticContact CD1-CD2 3.67Å; Y89-F95 HydrophobicContact CD1-CD2 3.67Å; Y89-F95 AromaticContact CD1-CE1 3.75Å; Y89-F95 HydrophobicContact CD1-CE1 3.75Å; Y89-F95 AromaticContact CD1-CE2 3.62Å; Y89-F95 HydrophobicContact CD1-CE2 3.62Å; Y89-F95 AromaticContact CD1-CG 3.76Å; Y89-F95 HydrophobicContact CD1-CG 3.76Å; Y89-F95 AromaticContact CD1-CZ 3.67Å; Y89-F95 HydrophobicContact CD1-CZ 3.67Å; Y89-F95 HydrophobicContact CE1-CD2 4.07Å; Y89-F95 AromaticContact CE1-CE2 3.92Å; Y89-F95 HydrophobicContact CE1-CE2 3.92Å; Y89-F95 HydrophobicContact CE1-CZ 4.29Å; Y89-F95 HydrophobicContact CG-CD1 4.35Å; Y89-F95 HydrophobicContact CG-CE1 4.45Å; C92-F95 HydrophobicContact CB-CB 3.92Å; C92-F95 PolarHBondContact O-N 3.45Å; P93-F95 VanDerWaalsContact C-N 3.34Å; F95-L97 VanDerWaalsContact C-N 3.27Å; F95-L97 PolarHBondContact O-N 3.31Å; F95-N98 CarbonylContact O-C 3.4Å; F95-F101 HydrophobicContact CB-CD1 4.26Å; F95-F101 WeakPolarHBondContact CD2-O 3.47Å
96G95.2Very high96.4Very high36 Ų3629.1 Ų29.137%0.37117%0.171SC..Hα-helixtrans-63.7-27.2174.400000114.7N29 C92 P93N29-G96 VanDerWaalsContact CG-CA 3.49Å; N29-G96 WeakPolarHBondContact OD1-CA 3.48Å; C92-G96 PolarHBondContact O-N 2.94Å; C92-G96 VanDerWaalsContact O-N 3.16Å; P93-G96 PolarHBondContact O-N 3.21Å
97L95.6Very high96.5Very high138 Ų13829 Ų2972%0.72317%0.17SC*.Hα-helixtrans-93-33.7178.6-69.2171.7000113.4P93 Q94 F95P93-L97 VanDerWaalsContact O-CG 3.32Å; P93-L97 WeakPolarHBondContact O-CG 3.45Å; P93-L97 PolarHBondContact O-N 3.36Å; Q94-L97 PolarHBondContact O-N 2.93Å; F95-L97 VanDerWaalsContact C-N 3.27Å; F95-L97 PolarHBondContact O-N 3.31Å
98N95Very high96.5Very high50 Ų5029 Ų2927%0.26717%0.169SC..  trans-130.693.5-180179.219000109.4Q94 F95 E100 F101 N133Q94-N98 PolarHBondContact O-N 3.49Å; F95-N98 CarbonylContact O-C 3.4Å; N98-E100 PolarHBondContact O-N 3.44Å; N98-E100 VanDerWaalsContact O-N 3.12Å; N98-E100 WeakPolarHBondContact OD1-CB 3.14Å; N98-E100 PolarHBondContact OD1-N 2.96Å; N98-E100 VanDerWaalsContact OD1-N 3.17Å; N98-F101 WeakPolarHBondContact O-CB 3.5Å; N98-F101 PolarHBondContact O-N 3.46Å; N98-F101 VanDerWaalsContact O-N 3.09Å; N98-N133 PolarHBondContact ND2-OD1 3.02Å
99P89.7Confident96.5Very high79 Ų7929.3 Ų29.351%0.51317%0.17SC..THydrogen-bonded Turntrans-60.5-18.5177.2-25.135.4000114H42 F101H42-P99 PolarHBondContact CD2-O 3.33Å; H42-P99 PolarHBondContact CE1-O 3.38Å; H42-P99 PolarHBondContact NE2-O 3.41Å; P99-F101 VanDerWaalsContact C-N 3.26Å; P99-F101 PolarHBondContact O-N 2.62Å
100E93.2Very high96.5Very high121 Ų12129.3 Ų29.357%0.56517%0.17SC*.THydrogen-bonded Turntrans-74.8-16.7177.4-60.2-65.8133.100113.1N98 I102 N133N98-E100 PolarHBondContact O-N 3.44Å; N98-E100 VanDerWaalsContact O-N 3.12Å; N98-E100 WeakPolarHBondContact OD1-CB 3.14Å; N98-E100 PolarHBondContact OD1-N 2.96Å; N98-E100 VanDerWaalsContact OD1-N 3.17Å; E100-I102 PolarHBondContact O-N 2.85Å; E100-N133 HydrophobicContact CB-CB 4.47Å; E100-N133 VanDerWaalsContact CB-ND2 3.35Å; E100-N133 WeakPolarHBondContact CB-ND2 3.39Å; E100-N133 VanDerWaalsContact O-CB 3.25Å; E100-N133 WeakPolarHBondContact O-CB 3.43Å
101F96.4Very high96.5Very high1 Ų129 Ų290%0.00417%0.167CC..SBendtrans-62.3118.3177172.3-136.6000110.1Q94 F95 N98 P99 G103 I107 N133 G134 S137 C138Q94-F101 HydrophobicContact CB-CD1 4.17Å; Q94-F101 HydrophobicContact CB-CE1 4.35Å; F95-F101 HydrophobicContact CB-CD1 4.26Å; F95-F101 WeakPolarHBondContact CD2-O 3.47Å; N98-F101 WeakPolarHBondContact O-CB 3.5Å; N98-F101 PolarHBondContact O-N 3.46Å; N98-F101 VanDerWaalsContact O-N 3.09Å; P99-F101 VanDerWaalsContact C-N 3.26Å; P99-F101 PolarHBondContact O-N 2.62Å; F101-G103 PolarHBondContact O-N 3.35Å; F101-I107 HydrophobicContact CE2-CD1 3.6Å; F101-I107 HydrophobicContact CZ-CD1 3.89Å; F101-N133 WeakPolarHBondContact CD2-O 3.48Å; F101-G134 WeakPolarHBondContact CE2-O 3.45Å; F101-S137 VanDerWaalsContact CD2-CB 3.5Å; F101-C138 HydrophobicContact CZ-CB 4.24Å
102I96.3Very high96.5Very high13 Ų1330 Ų307%0.06717%0.169CC..  trans-58.2-21.8-176.366.9176.6000113Y89 E100 A106 I107 L129 N133Y89-I102 WeakPolarHBondContact CE1-O 3.45Å; Y89-I102 PolarHBondContact OH-O 3.41Å; E100-I102 PolarHBondContact O-N 2.85Å; I102-A106 HydrophobicContact CB-CB 4.46Å; I102-A106 WeakPolarHBondContact O-CB 3.37Å; I102-I107 HydrophobicContact CD1-CD1 4.24Å; I102-I107 HydrophobicContact CD1-CG1 3.6Å; I102-I107 HydrophobicContact CG1-CD1 4.02Å; I102-I107 HydrophobicContact CG1-CG1 3.75Å; I102-L129 HydrophobicContact CD1-CD2 3.97Å; I102-N133 WeakPolarHBondContact CG1-O 3.31Å; I102-N133 PolarHBondContact N-O 3.44Å
103G97Very high96.5Very high0 Ų030.9 Ų30.90%017%0.17CC..Hα-helixtrans86.5170.9164.400000115.9F101 A105 I107F101-G103 PolarHBondContact O-N 3.35Å; G103-A105 PolarHBondContact O-N 3.35Å; G103-I107 WeakPolarHBondContact O-CG1 3.29Å; G103-I107 PolarHBondContact O-N 3.17Å
104P97.8Very high96.6Very high1 Ų129 Ų291%0.00616%0.157CC..Hα-helixtrans-65.7-40.8-16720.6-31000114.6C88 Y89 C92 T108 C144 P154 I158C88-P104 HydrophobicContact CB-CB 4.16Å; C88-P104 HydrophobicContact CB-CG 3.72Å; C88-P104 WeakPolarHBondContact O-CG 3.46Å; Y89-P104 HydrophobicContact CD2-CG 4.08Å; Y89-P104 HydrophobicContact CE2-CG 4.18Å; C92-P104 HydrophobicContact CB-CG 4.48Å; P104-T108 VanDerWaalsContact O-CB 3.31Å; P104-T108 WeakPolarHBondContact O-CB 3.27Å; P104-T108 PolarHBondContact O-N 3.21Å; P104-T108 PolarHBondContact O-OG1 2.92Å; P104-C144 HydrophobicContact CB-CB 3.94Å; P104-C144 HydrophobicContact CG-CB 4.14Å; P104-P154 HydrophobicContact CB-CB 3.86Å; P104-I158 HydrophobicContact CB-CD1 4.11Å
105A98Very high96.6Very high4 Ų428.7 Ų28.73%0.03316%0.156CC..Hα-helixtrans-73.6-39.8-177.700000112.4F43 Y89 G103 I107 T108 L109F43-A105 HydrophobicContact CE2-CB 4.02Å; Y89-A105 HydrophobicContact CD2-CB 4.44Å; Y89-A105 HydrophobicContact CE2-CB 3.58Å; G103-A105 PolarHBondContact O-N 3.35Å; A105-I107 PolarHBondContact O-N 2.89Å; A105-T108 PolarHBondContact O-N 3.48Å; A105-L109 PolarHBondContact O-N 3.38Å
106A97.7Very high96.8Very high0 Ų028.5 Ų28.50%016%0.155CC..Hα-helixtrans-60.1-46.3176.600000111.2L47 I50 Y89 I102 T108 L109 A110L47-A106 HydrophobicContact CD2-CB 4.38Å; I50-A106 HydrophobicContact CG1-CB 4.44Å; I50-A106 HydrophobicContact CG2-CB 4.4Å; Y89-A106 WeakPolarHBondContact OH-CB 3.28Å; Y89-A106 PolarHBondContact OH-N 3.47Å; Y89-A106 VanDerWaalsContact OH-N 3.16Å; I102-A106 HydrophobicContact CB-CB 4.46Å; I102-A106 WeakPolarHBondContact O-CB 3.37Å; A106-T108 VanDerWaalsContact C-N 3.3Å; A106-T108 PolarHBondContact O-N 2.98Å; A106-L109 PolarHBondContact O-N 3.36Å; A106-A110 WeakPolarHBondContact O-CB 3.38Å; A106-A110 PolarHBondContact O-N 3.3Å
107I98Very high96.8Very high0 Ų028.9 Ų28.90%015%0.152CC..Hα-helixtrans-60.8-41.8175.7-66.4167.1000111.3F101 I102 G103 A105 A110 H111 L129 V135 I158F101-I107 HydrophobicContact CE2-CD1 3.6Å; F101-I107 HydrophobicContact CZ-CD1 3.89Å; I102-I107 HydrophobicContact CD1-CD1 4.24Å; I102-I107 HydrophobicContact CD1-CG1 3.6Å; I102-I107 HydrophobicContact CG1-CD1 4.02Å; I102-I107 HydrophobicContact CG1-CG1 3.75Å; G103-I107 WeakPolarHBondContact O-CG1 3.29Å; G103-I107 PolarHBondContact O-N 3.17Å; A105-I107 PolarHBondContact O-N 2.89Å; I107-A110 WeakPolarHBondContact O-CB 3.07Å; I107-A110 PolarHBondContact O-N 2.94Å; I107-H111 WeakPolarHBondContact O-CB 3.41Å; I107-H111 PolarHBondContact O-N 3.01Å; I107-L129 HydrophobicContact CB-CD2 4.24Å; I107-L129 HydrophobicContact CG1-CD2 3.87Å; I107-L129 HydrophobicContact CG2-CD2 4.13Å; I107-V135 HydrophobicContact CD1-CG1 4.32Å; I107-V135 HydrophobicContact CG1-CG1 4.48Å; I107-V135 HydrophobicContact CG2-CG1 3.93Å; I107-I158 HydrophobicContact CB-CG1 4.03Å; I107-I158 HydrophobicContact CD1-CG1 4.08Å; I107-I158 HydrophobicContact CG2-CB 4.26Å; I107-I158 HydrophobicContact CG2-CG1 3.63Å
108T98.2Very high96.9Very high1 Ų125.3 Ų25.31%0.00613%0.129CC..Hα-helixtrans-66.1-42.2-179-59.30000112F79 P104 A105 A106 H111 R112 V152 P154 A157F79-T108 HydrophobicContact CB-CG2 3.9Å; F79-T108 HydrophobicContact CD1-CG2 3.94Å; F79-T108 HydrophobicContact CG-CG2 4.26Å; P104-T108 VanDerWaalsContact O-CB 3.31Å; P104-T108 WeakPolarHBondContact O-CB 3.27Å; P104-T108 PolarHBondContact O-N 3.21Å; P104-T108 PolarHBondContact O-OG1 2.92Å; A105-T108 PolarHBondContact O-N 3.48Å; A106-T108 VanDerWaalsContact C-N 3.3Å; A106-T108 PolarHBondContact O-N 2.98Å; T108-H111 PolarHBondContact O-N 3.21Å; T108-R112 PolarHBondContact O-N 3.41Å; T108-V152 HydrophobicContact CG2-CG1 3.71Å; T108-P154 WeakPolarHBondContact OG1-CA 3.27Å; T108-P154 VanDerWaalsContact OG1-CB 3.26Å; T108-P154 WeakPolarHBondContact OG1-CB 3.3Å; T108-A157 HydrophobicContact CG2-CB 3.89Å
109L97.9Very high97Very high21 Ų2123.6 Ų23.611%0.1112%0.12CC..Hα-helixtrans-68-39.4175.2-76173.3000111.7L47 I50 C82 A105 A106 H111 R112 Y113L47-L109 HydrophobicContact CD2-CD1 3.53Å; I50-L109 HydrophobicContact CD1-CB 4.19Å; C82-L109 HydrophobicContact CB-CD2 4.07Å; C82-L109 HydrophobicContact CB-CG 4.43Å; A105-L109 PolarHBondContact O-N 3.38Å; A106-L109 PolarHBondContact O-N 3.36Å; L109-H111 VanDerWaalsContact C-N 3.32Å; L109-H111 PolarHBondContact O-N 3.38Å; L109-R112 WeakPolarHBondContact O-CB 3.39Å; L109-R112 PolarHBondContact O-N 2.98Å; L109-Y113 VanDerWaalsContact O-CD2 3.26Å; L109-Y113 WeakPolarHBondContact O-CD2 3.2Å; L109-Y113 PolarHBondContact O-N 3.24Å; L109-Y113 VanDerWaalsContact O-N 3.09Å
110A98.1Very high97.4Very high0 Ų026 Ų260%012%0.124CC..Hα-helixtrans-58.1-46.2172.300000111.2I50 A106 I107 Y113 N114 L129I50-A110 HydrophobicContact CB-CB 3.93Å; I50-A110 HydrophobicContact CG1-CB 4.37Å; I50-A110 HydrophobicContact CG2-CB 4.1Å; A106-A110 WeakPolarHBondContact O-CB 3.38Å; A106-A110 PolarHBondContact O-N 3.3Å; I107-A110 WeakPolarHBondContact O-CB 3.07Å; I107-A110 PolarHBondContact O-N 2.94Å; A110-Y113 PolarHBondContact O-N 3.03Å; A110-N114 WeakPolarHBondContact O-CB 3.37Å; A110-N114 PolarHBondContact O-N 2.92Å; A110-N114 PolarHBondContact O-OD1 3.15Å; A110-L129 HydrophobicContact CB-CD1 4.03Å; A110-L129 HydrophobicContact CB-CD2 3.94Å; A110-L129 HydrophobicContact CB-CG 4.26Å
111H97.9Very high97.6Very high3 Ų320.2 Ų20.21%0.01410%0.097CC..Hα-helixtrans-63.1-41.6176.7-176.257.3000112.1F79 I107 T108 L109 Y113 N114 E115 A157 Q160F79-H111 AromaticContact CD2-CD2 3.46Å; F79-H111 VanDerWaalsContact CD2-CD2 3.46Å; F79-H111 WeakPolarHBondContact CD2-CD2 3.37Å; F79-H111 AromaticContact CD2-NE2 3.91Å; F79-H111 AromaticContact CE2-CD2 3.26Å; F79-H111 WeakPolarHBondContact CE2-CD2 3.46Å; F79-H111 AromaticContact CE2-NE2 3.29Å; F79-H111 VanDerWaalsContact CE2-NE2 3.29Å; F79-H111 WeakPolarHBondContact CE2-NE2 3.24Å; F79-H111 AromaticContact CZ-CD2 3.77Å; F79-H111 AromaticContact CZ-NE2 3.84Å; I107-H111 WeakPolarHBondContact O-CB 3.41Å; I107-H111 PolarHBondContact O-N 3.01Å; T108-H111 PolarHBondContact O-N 3.21Å; L109-H111 VanDerWaalsContact C-N 3.32Å; L109-H111 PolarHBondContact O-N 3.38Å; H111-Y113 PolarHBondContact O-N 3.02Å; H111-N114 PolarHBondContact O-N 3.16Å; H111-N114 VanDerWaalsContact O-N 3.16Å; H111-E115 VanDerWaalsContact CE1-CG 3.46Å; H111-E115 WeakPolarHBondContact CE1-CG 3.41Å; H111-E115 IonicContact CE1-OE1 2.79Å; H111-E115 PolarHBondContact O-N 2.98Å; H111-A157 HydrophobicContact CB-CB 4.28Å; H111-Q160 PolarHBondContact NE2-OE1 3.46Å; H111-Q160 VanDerWaalsContact NE2-OE1 3.13Å
112R98.1Very high97.6Very high30 Ų3023.2 Ų23.211%0.11311%0.11CC..Hα-helixtrans-54.7-38.9172.9174.3-94.6171.2-1068.7112.7Y76 F79 T108 L109 D116Y76-R112 WeakPolarHBondContact CB-O 3.26Å; Y76-R112 HydrophobicContact CD2-CG 3.99Å; Y76-R112 HydrophobicContact CG-CG 4.45Å; F79-R112 HydrophobicContact CB-CB 3.79Å; F79-R112 HydrophobicContact CB-CG 4.43Å; T108-R112 PolarHBondContact O-N 3.41Å; L109-R112 WeakPolarHBondContact O-CB 3.39Å; L109-R112 PolarHBondContact O-N 2.98Å; R112-D116 IonicContact CZ-OD2 3.08Å; R112-D116 VanDerWaalsContact NH1-CB 3.33Å; R112-D116 IonicContact NH1-OD2 3.5Å; R112-D116 PolarHBondContact NH1-OD2 3.06Å; R112-D116 IonicContact NH2-OD2 2.7Å; R112-D116 PolarHBondContact NH2-OD2 2.57Å; R112-D116 VanDerWaalsContact NH2-OD2 3.08Å
113Y98.3Very high97.6Very high37 Ų3731.4 Ų31.415%0.14515%0.145CC..Hα-helixtrans-79.3-38.2177.5-79.9-73.3000112.2P52 I54 L109 A110 H111 E115 D116 R125P52-Y113 VanDerWaalsContact C-OH 3.28Å; P52-Y113 HydrophobicContact CB-CD2 4.38Å; P52-Y113 HydrophobicContact CB-CE2 3.75Å; P52-Y113 WeakPolarHBondContact O-CE2 3.34Å; P52-Y113 PolarHBondContact O-OH 2.59Å; I54-Y113 HydrophobicContact CD1-CD1 4.04Å; I54-Y113 HydrophobicContact CD1-CE1 3.99Å; I54-Y113 HydrophobicContact CG1-CE1 4.44Å; L109-Y113 VanDerWaalsContact O-CD2 3.26Å; L109-Y113 WeakPolarHBondContact O-CD2 3.2Å; L109-Y113 PolarHBondContact O-N 3.24Å; L109-Y113 VanDerWaalsContact O-N 3.09Å; A110-Y113 PolarHBondContact O-N 3.03Å; H111-Y113 PolarHBondContact O-N 3.02Å; Y113-E115 PolarHBondContact O-N 2.75Å; Y113-D116 WeakPolarHBondContact O-CB 3.43Å; Y113-D116 PolarHBondContact O-N 3.27Å; Y113-D116 VanDerWaalsContact O-N 3.07Å; Y113-R125 VanDerWaalsContact CB-CZ 3.42Å
114N97.7Very high97.5Very high19 Ų1935.6 Ų35.610%0.10216%0.164CC..Hα-helixtrans-63-28.2177.7-71.2-7.7000113.5A110 H111 K122A110-N114 WeakPolarHBondContact O-CB 3.37Å; A110-N114 PolarHBondContact O-N 2.92Å; A110-N114 PolarHBondContact O-OD1 3.15Å; H111-N114 PolarHBondContact O-N 3.16Å; H111-N114 VanDerWaalsContact O-N 3.16Å; N114-K122 HydrophobicContact CB-CD 4.24Å; N114-K122 HydrophobicContact CB-CG 4.13Å; N114-K122 WeakPolarHBondContact OD1-CA 3.5Å
115E97.5Very high97.5Very high41 Ų4135.6 Ų35.619%0.19216%0.164CC..THydrogen-bonded Turntrans-90.8-4.3176-67.1-54.7133.400113.8K75 H111 Y113 S117K75-E115 HydrophobicContact CB-CB 4.25Å; H111-E115 VanDerWaalsContact CE1-CG 3.46Å; H111-E115 WeakPolarHBondContact CE1-CG 3.41Å; H111-E115 IonicContact CE1-OE1 2.79Å; H111-E115 PolarHBondContact O-N 2.98Å; Y113-E115 PolarHBondContact O-N 2.75Å; E115-S117 PolarHBondContact O-N 3.23Å
116D98.1Very high97.5Very high3 Ų335.6 Ų35.62%0.01616%0.164CC..  trans-79.7117.5178.5-164-30.8000110.6Q68 Y76 R112 Y113 R118 D119Q68-D116 PolarHBondContact NE2-OD1 3.11Å; Y76-D116 HydrophobicContact CD1-CB 4.06Å; Y76-D116 HydrophobicContact CE1-CB 4.09Å; R112-D116 IonicContact CZ-OD2 3.08Å; R112-D116 VanDerWaalsContact NH1-CB 3.33Å; R112-D116 IonicContact NH1-OD2 3.5Å; R112-D116 PolarHBondContact NH1-OD2 3.06Å; R112-D116 IonicContact NH2-OD2 2.7Å; R112-D116 PolarHBondContact NH2-OD2 2.57Å; R112-D116 VanDerWaalsContact NH2-OD2 3.08Å; Y113-D116 WeakPolarHBondContact O-CB 3.43Å; Y113-D116 PolarHBondContact O-N 3.27Å; Y113-D116 VanDerWaalsContact O-N 3.07Å; D116-R118 PolarHBondContact O-N 3.23Å; D116-R118 WeakPolarHBondContact OD1-CB 3.46Å; D116-R118 WeakPolarHBondContact OD1-CG 3.42Å; D116-R118 IonicContact OD1-CZ 3.66Å; D116-R118 PolarHBondContact OD1-N 3.18Å; D116-R118 VanDerWaalsContact OD1-N 3.08Å; D116-R118 IonicContact OD1-NE 3.03Å; D116-R118 PolarHBondContact OD1-NE 3.23Å; D116-R118 IonicContact OD1-NH2 3.57Å; D116-R118 IonicContact OD2-CZ 2.72Å; D116-R118 IonicContact OD2-NE 2.87Å; D116-R118 PolarHBondContact OD2-NE 3.46Å; D116-R118 IonicContact OD2-NH2 3.44Å; D116-R118 PolarHBondContact OD2-NH2 2.96Å; D116-D119 HydrophobicContact CB-CB 4.22Å; D116-D119 PolarHBondContact O-N 2.92Å
117S97.3Very high97.4Very high45 Ų4538.7 Ų38.732%0.31519%0.189SC..THydrogen-bonded Turntrans-60.4-13.5-18061.90000114.5Q68 Q72 E115Q68-S117 PolarHBondContact NE2-OG 3.46Å; Q72-S117 PolarHBondContact OE1-OG 3.4Å; E115-S117 PolarHBondContact O-N 3.23Å
118R96.9Very high97.3Very high62 Ų6242.2 Ų42.223%0.23421%0.206CC..THydrogen-bonded Turntrans-93.7-6179.9-55170.1-64.3178.61113I54 N57 N66 Y76 D116I54-R118 HydrophobicContact CD1-CB 4.41Å; I54-R118 VanDerWaalsContact CG2-O 3.22Å; I54-R118 WeakPolarHBondContact CG2-O 3.45Å; N57-R118 WeakPolarHBondContact CB-O 3.48Å; N57-R118 PolarHBondContact ND2-O 2.89Å; N57-R118 VanDerWaalsContact ND2-O 3.15Å; N66-R118 HydrophobicContact CB-CG 3.96Å; Y76-R118 PolarHBondContact OH-NH2 3.46Å; D116-R118 PolarHBondContact O-N 3.23Å; D116-R118 WeakPolarHBondContact OD1-CB 3.46Å; D116-R118 WeakPolarHBondContact OD1-CG 3.42Å; D116-R118 IonicContact OD1-CZ 3.66Å; D116-R118 PolarHBondContact OD1-N 3.18Å; D116-R118 VanDerWaalsContact OD1-N 3.08Å; D116-R118 IonicContact OD1-NE 3.03Å; D116-R118 PolarHBondContact OD1-NE 3.23Å; D116-R118 IonicContact OD1-NH2 3.57Å; D116-R118 IonicContact OD2-CZ 2.72Å; D116-R118 IonicContact OD2-NE 2.87Å; D116-R118 PolarHBondContact OD2-NE 3.46Å; D116-R118 IonicContact OD2-NH2 3.44Å; D116-R118 PolarHBondContact OD2-NH2 2.96Å
119D97.9Very high97.2Very high14 Ų1442.2 Ų42.28%0.07521%0.206CC..  trans-109.6140.9-176.4-174.6-82.9000111.3I54 I55 D116 G121 R125I54-D119 VanDerWaalsContact CA-OD2 3.28Å; I54-D119 WeakPolarHBondContact CA-OD2 3.42Å; I54-D119 HydrophobicContact CD1-CB 3.93Å; I55-D119 PolarHBondContact N-OD2 3.19Å; D116-D119 HydrophobicContact CB-CB 4.22Å; D116-D119 PolarHBondContact O-N 2.92Å; D119-G121 WeakPolarHBondContact OD1-CA 3.44Å; D119-G121 PolarHBondContact OD1-N 3.29Å; D119-R125 IonicContact OD1-CZ 2.7Å; D119-R125 IonicContact OD1-NH1 3.71Å; D119-R125 PolarHBondContact OD1-NH1 3.36Å; D119-R125 IonicContact OD1-NH2 3.66Å; D119-R125 IonicContact OD2-CZ 2.64Å; D119-R125 IonicContact OD2-NH1 2.71Å; D119-R125 PolarHBondContact OD2-NH1 2.87Å; D119-R125 IonicContact OD2-NH2 3.39Å; D119-R125 PolarHBondContact OD2-NH2 3.21Å
120H97.2Very high97.2Very high129 Ų12944 Ų4460%0.59722%0.216SC*.  trans-12415.5178.9-56.3-34.6000112.3I55 G56I55-H120 PolarHBondContact O-N 3.26Å; G56-H120 PolarHBondContact O-CD2 2.93Å
121G97.4Very high97.1Very high0 Ų045.9 Ų45.90%023%0.229CC..  trans-87.15.3-179.800000114.9D119 K123 E124 R125D119-G121 WeakPolarHBondContact OD1-CA 3.44Å; D119-G121 PolarHBondContact OD1-N 3.29Å; G121-K123 VanDerWaalsContact C-N 3.27Å; G121-K123 PolarHBondContact O-N 3.15Å; G121-K123 VanDerWaalsContact O-N 3.17Å; G121-E124 WeakPolarHBondContact O-CB 3.42Å; G121-E124 PolarHBondContact O-N 3.25Å; G121-R125 PolarHBondContact O-N 3.36Å
122K97.2Very high96.9Very high64 Ų6454 Ų5428%0.27827%0.266SS..Hα-helixtrans-50.9-44.3-175.2179.7169.6178.9172.90113N114 E124 R125 M126 E164N114-K122 HydrophobicContact CB-CD 4.24Å; N114-K122 HydrophobicContact CB-CG 4.13Å; N114-K122 WeakPolarHBondContact OD1-CA 3.5Å; K122-E124 VanDerWaalsContact C-N 3.29Å; K122-E124 PolarHBondContact O-N 2.83Å; K122-R125 PolarHBondContact O-N 3.35Å; K122-M126 HydrophobicContact CG-CG 3.88Å; K122-M126 WeakPolarHBondContact O-CB 3.18Å; K122-M126 VanDerWaalsContact O-CG 3.27Å; K122-M126 WeakPolarHBondContact O-CG 3.37Å; K122-M126 PolarHBondContact O-N 2.95Å; K122-E164 IonicContact NZ-OE2 3.68Å; K122-E164 PolarHBondContact NZ-OE2 3.4Å
123K95.2Very high96.8Very high186 Ų18654.5 Ų54.581%0.80927%0.272SS*.Hα-helixtrans-58-40.4179.4-174.9-179.9177.7-176.10112.6G121 A127G121-K123 VanDerWaalsContact C-N 3.27Å; G121-K123 PolarHBondContact O-N 3.15Å; G121-K123 VanDerWaalsContact O-N 3.17Å; K123-A127 PolarHBondContact O-N 3.41Å
124E95.9Very high96.7Very high87 Ų8752.8 Ų52.841%0.40727%0.265SS..Hα-helixtrans-70.7-40.4-179.8-62177.4-137.900111.3K51 G121 K122 A127K51-E124 IonicContact NZ-OE2 3.35Å; K51-E124 PolarHBondContact NZ-OE2 3.45Å; G121-E124 WeakPolarHBondContact O-CB 3.42Å; G121-E124 PolarHBondContact O-N 3.25Å; K122-E124 VanDerWaalsContact C-N 3.29Å; K122-E124 PolarHBondContact O-N 2.83Å; E124-A127 WeakPolarHBondContact O-CB 3.44Å; E124-A127 PolarHBondContact O-N 2.89Å
125R97.4Very high96.7Very high1 Ų151.9 Ų51.90%0.00426%0.26CS..Hα-helixtrans-70.8-39.2177.3-60.7-165.4-172.582.31.4112.5I50 K51 Y53 Y113 D119 G121 K122 A127 Q128 L129I50-R125 WeakPolarHBondContact O-CD 3.39Å; I50-R125 VanDerWaalsContact O-CG 3.27Å; I50-R125 WeakPolarHBondContact O-CG 3.4Å; I50-R125 PolarHBondContact O-NE 3.2Å; K51-R125 PolarHBondContact O-NE 2.89Å; K51-R125 PolarHBondContact O-NH2 2.88Å; Y53-R125 PolarHBondContact O-NH2 3.38Å; Y113-R125 VanDerWaalsContact CB-CZ 3.42Å; D119-R125 IonicContact OD1-CZ 2.7Å; D119-R125 IonicContact OD1-NH1 3.71Å; D119-R125 PolarHBondContact OD1-NH1 3.36Å; D119-R125 IonicContact OD1-NH2 3.66Å; D119-R125 IonicContact OD2-CZ 2.64Å; D119-R125 IonicContact OD2-NH1 2.71Å; D119-R125 PolarHBondContact OD2-NH1 2.87Å; D119-R125 IonicContact OD2-NH2 3.39Å; D119-R125 PolarHBondContact OD2-NH2 3.21Å; G121-R125 PolarHBondContact O-N 3.36Å; K122-R125 PolarHBondContact O-N 3.35Å; R125-A127 PolarHBondContact O-N 3.24Å; R125-Q128 WeakPolarHBondContact O-CB 3.2Å; R125-Q128 PolarHBondContact O-N 3.43Å; R125-L129 WeakPolarHBondContact O-CG 3.28Å; R125-L129 PolarHBondContact O-N 3.27Å
126M97Very high96.6Very high4 Ų456 Ų562%0.0227%0.274CS..Hα-helixtrans-61.9-28.4178-72-51.5-60.500112.1K122 Q128 L129 N130 E164 D168K122-M126 HydrophobicContact CG-CG 3.88Å; K122-M126 WeakPolarHBondContact O-CB 3.18Å; K122-M126 VanDerWaalsContact O-CG 3.27Å; K122-M126 WeakPolarHBondContact O-CG 3.37Å; K122-M126 PolarHBondContact O-N 2.95Å; M126-Q128 VanDerWaalsContact C-N 3.3Å; M126-Q128 PolarHBondContact O-N 3.13Å; M126-L129 HydrophobicContact CE-CB 4.36Å; M126-L129 PolarHBondContact O-N 3.45Å; M126-L129 HydrophobicContact SD-CB 4.35Å; M126-L129 HydrophobicContact SD-CD1 3.77Å; M126-N130 WeakPolarHBondContact CE-OD1 3.09Å; M126-N130 WeakPolarHBondContact O-CB 3.27Å; M126-N130 PolarHBondContact O-N 2.9Å; M126-N130 PolarHBondContact O-ND2 3.38Å; M126-E164 HydrophobicContact CE-CB 3.88Å; M126-E164 HydrophobicContact SD-CB 4.27Å; M126-D168 WeakPolarHBondContact CB-OD2 3.36Å; M126-D168 VanDerWaalsContact CE-OD2 3.31Å; M126-D168 WeakPolarHBondContact CE-OD2 3.45Å; M126-D168 WeakPolarHBondContact CG-OD2 3.48Å
127A95.7Very high96.5Very high65 Ų6556.7 Ų56.754%0.53728%0.279SS..Hα-helixtrans-60.2-39.7172.500000112.5K123 E124 R125 S131K123-A127 PolarHBondContact O-N 3.41Å; E124-A127 WeakPolarHBondContact O-CB 3.44Å; E124-A127 PolarHBondContact O-N 2.89Å; R125-A127 PolarHBondContact O-N 3.24Å; A127-S131 PolarHBondContact O-N 3.41Å
128Q95.8Very high96.6Very high74 Ų7455.3 Ų55.335%0.34627%0.269SS..Hα-helixtrans-71.6-44.6174.3-62.3-59.6-36.400111.5I50 R125 M126 N130 S131I50-Q128 HydrophobicContact CG2-CB 4.47Å; R125-Q128 WeakPolarHBondContact O-CB 3.2Å; R125-Q128 PolarHBondContact O-N 3.43Å; M126-Q128 VanDerWaalsContact C-N 3.3Å; M126-Q128 PolarHBondContact O-N 3.13Å; Q128-N130 VanDerWaalsContact C-N 3.32Å; Q128-N130 PolarHBondContact O-N 3.28Å; Q128-S131 VanDerWaalsContact O-CB 3.28Å; Q128-S131 WeakPolarHBondContact O-CB 3.41Å; Q128-S131 PolarHBondContact O-N 3.32Å; Q128-S131 PolarHBondContact O-OG 3.16Å
129L97.2Very high96.5Very high1 Ų156.3 Ų56.31%0.00528%0.282CS..Hα-helixtrans-65.4-33.7-179.5-63.8-172.4000113.1I102 I107 A110 R125 M126 S131 G134 V135I102-L129 HydrophobicContact CD1-CD2 3.97Å; I107-L129 HydrophobicContact CB-CD2 4.24Å; I107-L129 HydrophobicContact CG1-CD2 3.87Å; I107-L129 HydrophobicContact CG2-CD2 4.13Å; A110-L129 HydrophobicContact CB-CD1 4.03Å; A110-L129 HydrophobicContact CB-CD2 3.94Å; A110-L129 HydrophobicContact CB-CG 4.26Å; R125-L129 WeakPolarHBondContact O-CG 3.28Å; R125-L129 PolarHBondContact O-N 3.27Å; M126-L129 HydrophobicContact CE-CB 4.36Å; M126-L129 PolarHBondContact O-N 3.45Å; M126-L129 HydrophobicContact SD-CB 4.35Å; M126-L129 HydrophobicContact SD-CD1 3.77Å; L129-S131 VanDerWaalsContact C-N 3.29Å; L129-G134 CarbonylContact O-C 3.59Å; L129-G134 WeakPolarHBondContact O-CA 3.41Å; L129-V135 HydrophobicContact CB-CG1 3.97Å; L129-V135 HydrophobicContact CD2-CG1 4.11Å; L129-V135 HydrophobicContact CG-CG1 4.44Å; L129-V135 WeakPolarHBondContact O-CG2 3.32Å; L129-V135 PolarHBondContact O-N 2.99Å
130N96.9Very high96.5Very high60 Ų6061.4 Ų61.432%0.32130%0.304SS..THydrogen-bonded Turntrans-82.5-4.9178.3-66.1-20.5000113M126 Q128 S165 D168M126-N130 WeakPolarHBondContact CE-OD1 3.09Å; M126-N130 WeakPolarHBondContact O-CB 3.27Å; M126-N130 PolarHBondContact O-N 2.9Å; M126-N130 PolarHBondContact O-ND2 3.38Å; Q128-N130 VanDerWaalsContact C-N 3.32Å; Q128-N130 PolarHBondContact O-N 3.28Å; N130-S165 VanDerWaalsContact OD1-CA 3.29Å; N130-S165 WeakPolarHBondContact OD1-CA 3.46Å; N130-S165 WeakPolarHBondContact OD1-CB 3.38Å; N130-S165 PolarHBondContact OD1-OG 3.08Å; N130-D168 PolarHBondContact ND2-OD2 3.29Å
131S95.6Very high96.5Very high39 Ų3959.4 Ų59.427%0.27330%0.301SS..SBendtrans-66164.4176.976.10000111.8A127 Q128 L129 N133 G134A127-S131 PolarHBondContact O-N 3.41Å; Q128-S131 VanDerWaalsContact O-CB 3.28Å; Q128-S131 WeakPolarHBondContact O-CB 3.41Å; Q128-S131 PolarHBondContact O-N 3.32Å; Q128-S131 PolarHBondContact O-OG 3.16Å; L129-S131 VanDerWaalsContact C-N 3.29Å; S131-N133 PolarHBondContact O-N 2.71Å; S131-N133 PolarHBondContact OG-N 3.04Å; S131-G134 PolarHBondContact O-N 2.73Å; S131-G134 PolarHBondContact OG-N 3.15Å; S131-G134 VanDerWaalsContact OG-N 3.15Å
132Q93.9Very high96.5Very high173 Ų17360.4 Ų60.481%0.80831%0.31SS*.THydrogen-bonded Turntrans-56.9-32.4176-176.1177.64.200112.6S137Q132-S137 PolarHBondContact O-OG 2.9Å
133N95.7Very high96.5Very high41 Ų4161.7 Ų61.722%0.21931%0.314CS..THydrogen-bonded Turntrans-99.214.4179.1-66.3-35.7000112.9N98 E100 F101 I102 S131 S137N98-N133 PolarHBondContact ND2-OD1 3.02Å; E100-N133 HydrophobicContact CB-CB 4.47Å; E100-N133 VanDerWaalsContact CB-ND2 3.35Å; E100-N133 WeakPolarHBondContact CB-ND2 3.39Å; E100-N133 VanDerWaalsContact O-CB 3.25Å; E100-N133 WeakPolarHBondContact O-CB 3.43Å; F101-N133 WeakPolarHBondContact CD2-O 3.48Å; I102-N133 WeakPolarHBondContact CG1-O 3.31Å; I102-N133 PolarHBondContact N-O 3.44Å; S131-N133 PolarHBondContact O-N 2.71Å; S131-N133 PolarHBondContact OG-N 3.04Å; N133-S137 WeakPolarHBondContact CA-OG 3.27Å
134G96.6Very high96.6Very high0 Ų053.4 Ų53.40%028%0.28CS..THydrogen-bonded Turntrans-90-137.717700000112.3F101 L129 S131 W136 S137F101-G134 WeakPolarHBondContact CE2-O 3.45Å; L129-G134 CarbonylContact O-C 3.59Å; L129-G134 WeakPolarHBondContact O-CA 3.41Å; S131-G134 PolarHBondContact O-N 2.73Å; S131-G134 PolarHBondContact OG-N 3.15Å; S131-G134 VanDerWaalsContact OG-N 3.15Å; G134-W136 PolarHBondContact O-N 2.64Å; G134-W136 VanDerWaalsContact O-N 3.14Å; G134-S137 PolarHBondContact O-N 3.31Å
135V97.4Very high96.7Very high0 Ų050 Ų500%027%0.266CS..G310 helixtrans-62.9-26.2-171.8-60.20000113.9I107 L129 C138 I158 K162I107-V135 HydrophobicContact CD1-CG1 4.32Å; I107-V135 HydrophobicContact CG1-CG1 4.48Å; I107-V135 HydrophobicContact CG2-CG1 3.93Å; L129-V135 HydrophobicContact CB-CG1 3.97Å; L129-V135 HydrophobicContact CD2-CG1 4.11Å; L129-V135 HydrophobicContact CG-CG1 4.44Å; L129-V135 WeakPolarHBondContact O-CG2 3.32Å; L129-V135 PolarHBondContact O-N 2.99Å; V135-C138 WeakPolarHBondContact O-CB 3.16Å; V135-C138 PolarHBondContact O-N 3.17Å; V135-I158 HydrophobicContact CB-CG2 4.47Å; V135-K162 HydrophobicContact CB-CG 3.94Å; V135-K162 HydrophobicContact CG2-CG 3.82Å; V135-K162 WeakPolarHBondContact O-CE 3.38Å
136W96.9Very high96.8Very high128 Ų12857.3 Ų57.349%0.48530%0.3SS..G310 helixtrans-77.6-18.4-173-65.5109.2000114.3G134 C138 K162 S165G134-W136 PolarHBondContact O-N 2.64Å; G134-W136 VanDerWaalsContact O-N 3.14Å; W136-C138 PolarHBondContact O-N 2.87Å; W136-K162 HydrophobicContact CE3-CD 4.13Å; W136-K162 HydrophobicContact CE3-CG 4.28Å; W136-K162 HydrophobicContact CH2-CB 4.13Å; W136-K162 HydrophobicContact CH2-CG 4.41Å; W136-K162 HydrophobicContact CZ2-CB 4.42Å; W136-K162 HydrophobicContact CZ3-CB 4.36Å; W136-K162 HydrophobicContact CZ3-CD 4.02Å; W136-K162 HydrophobicContact CZ3-CG 4.22Å; W136-S165 PolarHBondContact NE1-OG 2.7Å
137S96.4Very high96.8Very high18 Ų1857.9 Ų57.913%0.12630%0.303CS..G310 helixtrans-70-18173-35.60000112.7Q94 F101 Q132 N133 G134 T139Q94-S137 WeakPolarHBondContact CG-O 3.17Å; F101-S137 VanDerWaalsContact CD2-CB 3.5Å; Q132-S137 PolarHBondContact O-OG 2.9Å; N133-S137 WeakPolarHBondContact CA-OG 3.27Å; G134-S137 PolarHBondContact O-N 3.31Å; S137-T139 PolarHBondContact O-N 3.39Å
138C97.6Very high96.9Very high16 Ų1655.6 Ų55.611%0.10828%0.283CS..  trans-73.1122.8178.6176.70000112F101 V135 W136 F140 I158 K162F101-C138 HydrophobicContact CZ-CB 4.24Å; V135-C138 WeakPolarHBondContact O-CB 3.16Å; V135-C138 PolarHBondContact O-N 3.17Å; W136-C138 PolarHBondContact O-N 2.87Å; C138-F140 PolarHBondContact SG-N 2.67Å; C138-I158 HydrophobicContact CB-CD1 4.49Å; C138-I158 HydrophobicContact CB-CG2 3.62Å; C138-K162 PolarHBondContact O-NZ 3.03Å
139T96.3Very high97Very high83 Ų8353 Ų5351%0.50927%0.273SS..  trans-92.210.317559.20000114.3Q94 S137Q94-T139 HydrophobicContact CG-CG2 4.06Å; Q94-T139 PolarHBondContact NE2-OG1 2.73Å; S137-T139 PolarHBondContact O-N 3.39Å
140F97Very high97Very high120 Ų12058.4 Ų58.453%0.52630%0.297SS..  trans5845.9178.1-164.5-123.8000115.3C138 G142 A155 Q159C138-F140 PolarHBondContact SG-N 2.67Å; F140-G142 VanDerWaalsContact C-N 3.26Å; F140-G142 PolarHBondContact O-N 3.06Å; F140-A155 HydrophobicContact CD2-CB 4.43Å; F140-A155 HydrophobicContact CE2-CB 4.03Å; F140-Q159 HydrophobicContact CD2-CG 3.71Å; F140-Q159 HydrophobicContact CE2-CG 3.54Å; F140-Q159 HydrophobicContact CZ-CG 4.27Å
141V97.1Very high97Very high88 Ų8861.9 Ų61.953%0.53331%0.311SS..  trans-64.9-30.3170.7-179.70000112.2P93 Y143P93-V141 HydrophobicContact CG-CB 4.42Å; P93-V141 HydrophobicContact CG-CG1 4.4Å; P93-V141 HydrophobicContact CG-CG2 3.77Å; V141-Y143 PolarHBondContact O-N 2.86Å
142G97Very high97.1Very high20 Ų2060.2 Ų60.221%0.20630%0.299CS..  trans80.8-14.6175.300000115.9F140 C144 S145F140-G142 VanDerWaalsContact C-N 3.26Å; F140-G142 PolarHBondContact O-N 3.06Å; G142-C144 PolarHBondContact O-N 3.16Å; G142-C144 VanDerWaalsContact O-N 3.08Å; G142-S145 PolarHBondContact O-N 3.21Å
143Y97.4Very high97.3Very high91 Ų9154.7 Ų54.736%0.35728%0.275SS..Hα-helixtrans-63.4-23.1-173.3-163.1-141.4000114.5A91 V141 S145 E146 V147A91-Y143 HydrophobicContact CB-CD1 3.54Å; A91-Y143 HydrophobicContact CB-CE1 4.07Å; A91-Y143 HydrophobicContact CB-CG 4.15Å; V141-Y143 PolarHBondContact O-N 2.86Å; Y143-S145 PolarHBondContact O-N 2.69Å; Y143-E146 HydrophobicContact CD2-CB 3.76Å; Y143-E146 HydrophobicContact CD2-CG 4.28Å; Y143-E146 HydrophobicContact CE2-CB 4.15Å; Y143-E146 PolarHBondContact O-N 3.4Å; Y143-V147 HydrophobicContact CD1-CG1 4.16Å; Y143-V147 HydrophobicContact CD2-CG1 3.99Å; Y143-V147 HydrophobicContact CE1-CG1 3.79Å; Y143-V147 HydrophobicContact CE2-CG1 3.61Å; Y143-V147 HydrophobicContact CG-CG1 4.23Å; Y143-V147 VanDerWaalsContact CZ-CG1 3.49Å; Y143-V147 WeakPolarHBondContact O-CG2 3.31Å; Y143-V147 PolarHBondContact O-N 2.9Å; Y143-V147 VanDerWaalsContact O-N 3.07Å
144C98.3Very high97.4Very high12 Ų1253 Ų538%0.08127%0.266CS..Hα-helixtrans-58.8-31.5172.851.30000113.7C88 P104 G142 P154C88-C144 HydrophobicContact CB-CB 3.67Å; P104-C144 HydrophobicContact CB-CB 3.94Å; P104-C144 HydrophobicContact CG-CB 4.14Å; G142-C144 PolarHBondContact O-N 3.16Å; G142-C144 VanDerWaalsContact O-N 3.08Å; C144-P154 HydrophobicContact CB-CB 4.27Å
145S98.2Very high97.4Very high16 Ų1653.3 Ų53.311%0.11227%0.269CS..Hα-helixtrans-78-41.8176.1-63.30000111.8G142 Y143 V147 C148 D153 P154 A155G142-S145 PolarHBondContact O-N 3.21Å; Y143-S145 PolarHBondContact O-N 2.69Å; S145-V147 PolarHBondContact O-N 3.25Å; S145-C148 WeakPolarHBondContact O-CB 3.29Å; S145-C148 PolarHBondContact O-N 3.09Å; S145-D153 WeakPolarHBondContact CB-OD1 3.39Å; S145-D153 WeakPolarHBondContact OG-CA 3.48Å; S145-D153 PolarHBondContact OG-OD1 2.69Å; S145-P154 WeakPolarHBondContact OG-CD 3.49Å; S145-A155 WeakPolarHBondContact OG-CB 3.4Å; S145-A155 PolarHBondContact OG-N 3.29Å
146E97.7Very high97.5Very high155 Ų15554.7 Ų54.772%0.72428%0.28SS*.Hα-helixtrans-61.1-43178.6-65.3-56.4130.600112.7Y143 C148Y143-E146 HydrophobicContact CD2-CB 3.76Å; Y143-E146 HydrophobicContact CD2-CG 4.28Å; Y143-E146 HydrophobicContact CE2-CB 4.15Å; Y143-E146 PolarHBondContact O-N 3.4Å; E146-C148 VanDerWaalsContact C-N 3.26Å; E146-C148 PolarHBondContact O-N 3.26Å
147V97.8Very high97.5Very high15 Ų1548.6 Ų48.69%0.09126%0.257CS..THydrogen-bonded Turntrans-80.1-6.2-179.3-56.20000113.4P7 L87 A91 Y143 S145 P149P7-V147 HydrophobicContact CG-CG1 4.43Å; L87-V147 HydrophobicContact CB-CG2 4.31Å; A91-V147 HydrophobicContact CB-CB 4.39Å; A91-V147 HydrophobicContact CB-CG1 3.96Å; A91-V147 HydrophobicContact CB-CG2 3.56Å; Y143-V147 HydrophobicContact CD1-CG1 4.16Å; Y143-V147 HydrophobicContact CD2-CG1 3.99Å; Y143-V147 HydrophobicContact CE1-CG1 3.79Å; Y143-V147 HydrophobicContact CE2-CG1 3.61Å; Y143-V147 HydrophobicContact CG-CG1 4.23Å; Y143-V147 VanDerWaalsContact CZ-CG1 3.49Å; Y143-V147 WeakPolarHBondContact O-CG2 3.31Å; Y143-V147 PolarHBondContact O-N 2.9Å; Y143-V147 VanDerWaalsContact O-N 3.07Å; S145-V147 PolarHBondContact O-N 3.25Å; V147-P149 VanDerWaalsContact O-CD 3.27Å; V147-P149 WeakPolarHBondContact O-CD 3.46Å
148C98.1Very high97.6Very high17 Ų1747.8 Ų47.812%0.11525%0.251CS..  trans-69.3115-174.2-173.80000110.5S145 E146 K150 H151 V152S145-C148 WeakPolarHBondContact O-CB 3.29Å; S145-C148 PolarHBondContact O-N 3.09Å; E146-C148 VanDerWaalsContact C-N 3.26Å; E146-C148 PolarHBondContact O-N 3.26Å; C148-K150 PolarHBondContact O-N 2.67Å; C148-H151 PolarHBondContact O-N 3.01Å; C148-H151 VanDerWaalsContact O-N 3.16Å; C148-V152 PolarHBondContact SG-N 3.23Å
149P97.3Very high97.6Very high21 Ų2149.8 Ų49.814%0.13626%0.259CS..THydrogen-bonded Turntrans-71.8-9.7-174.930.5-35.2000113.1L9 K12 I83 L87 V147L9-P149 HydrophobicContact CD1-CB 3.79Å; L9-P149 HydrophobicContact CD1-CG 3.71Å; L9-P149 HydrophobicContact CG-CB 4.18Å; L9-P149 HydrophobicContact CG-CG 4.01Å; K12-P149 PolarHBondContact NZ-O 3.26Å; K12-P149 VanDerWaalsContact NZ-O 3.15Å; I83-P149 HydrophobicContact CD1-CG 4.42Å; L87-P149 HydrophobicContact CD1-CG 4.13Å; V147-P149 VanDerWaalsContact O-CD 3.27Å; V147-P149 WeakPolarHBondContact O-CD 3.46Å
150K97.5Very high97.7Very high114 Ų11449.8 Ų49.850%0.49625%0.253SS..THydrogen-bonded Turntrans-115.12.2-177.3-66.2-61.9-57.9-178.60112.9G81 I83 C148 V152G81-K150 WeakPolarHBondContact O-CB 3.26Å; G81-K150 WeakPolarHBondContact O-CG 3.46Å; I83-K150 HydrophobicContact CD1-CG 4.39Å; I83-K150 HydrophobicContact CG1-CG 4.26Å; I83-K150 HydrophobicContact CG2-CD 4.36Å; I83-K150 HydrophobicContact CG2-CG 4.04Å; C148-K150 PolarHBondContact O-N 2.67Å; K150-V152 VanDerWaalsContact C-N 3.34Å; K150-V152 HydrophobicContact CB-CG2 3.79Å; K150-V152 PolarHBondContact O-N 2.93Å
151H96.5Very high97.7Very high133 Ų13344.1 Ų44.162%0.61623%0.228SC*.  trans57.936.9178.5-51.7-72.2000114.6Q78 C148 D153Q78-H151 PolarHBondContact NE2-O 3.03Å; C148-H151 PolarHBondContact O-N 3.01Å; C148-H151 VanDerWaalsContact O-N 3.16Å; H151-D153 PolarHBondContact O-N 3.24Å
152V97.5Very high97.7Very high4 Ų441.4 Ų41.42%0.02421%0.209CC..  trans-73.7-10.9-174.1-177.30000113.5Q78 F79 G81 C82 T108 C148 K150Q78-V152 WeakPolarHBondContact O-CA 3.35Å; F79-V152 WeakPolarHBondContact CD1-O 3.35Å; G81-V152 VanDerWaalsContact C-CG2 3.41Å; C82-V152 HydrophobicContact CB-CG1 4.4Å; T108-V152 HydrophobicContact CG2-CG1 3.71Å; C148-V152 PolarHBondContact SG-N 3.23Å; K150-V152 VanDerWaalsContact C-N 3.34Å; K150-V152 HydrophobicContact CB-CG2 3.79Å; K150-V152 PolarHBondContact O-N 2.93Å
153D97.9Very high97.7Very high57 Ų5744.1 Ų44.131%0.30522%0.222SC..  trans45.966.4-176.5-161.6-6.2000116S145 H151 A155 A156 A157S145-D153 WeakPolarHBondContact CB-OD1 3.39Å; S145-D153 WeakPolarHBondContact OG-CA 3.48Å; S145-D153 PolarHBondContact OG-OD1 2.69Å; H151-D153 PolarHBondContact O-N 3.24Å; D153-A155 VanDerWaalsContact C-N 3.25Å; D153-A155 PolarHBondContact O-N 2.82Å; D153-A156 HydrophobicContact CB-CB 4.24Å; D153-A156 PolarHBondContact O-N 3.05Å; D153-A156 PolarHBondContact OD1-N 2.81Å; D153-A156 VanDerWaalsContact OD2-CB 3.3Å; D153-A156 WeakPolarHBondContact OD2-CB 3.26Å; D153-A157 PolarHBondContact O-N 3.17Å
154P98.3Very high97.7Very high5 Ų541.4 Ų41.43%0.03221%0.212CC..Hα-helixtrans-60.5-30.4175.8-2537000114.6C88 P104 T108 C144 S145 A157 I158C88-P154 HydrophobicContact CB-CG 4.49Å; P104-P154 HydrophobicContact CB-CB 3.86Å; T108-P154 WeakPolarHBondContact OG1-CA 3.27Å; T108-P154 VanDerWaalsContact OG1-CB 3.26Å; T108-P154 WeakPolarHBondContact OG1-CB 3.3Å; C144-P154 HydrophobicContact CB-CB 4.27Å; S145-P154 WeakPolarHBondContact OG-CD 3.49Å; P154-A157 PolarHBondContact O-N 2.77Å; P154-I158 WeakPolarHBondContact O-CD1 3.48Å; P154-I158 VanDerWaalsContact O-CG1 3.24Å; P154-I158 WeakPolarHBondContact O-CG1 3.35Å; P154-I158 PolarHBondContact O-N 3Å
155A98.2Very high97.6Very high7 Ų741.1 Ų41.16%0.05821%0.211CC..Hα-helixtrans-62.3-46.117800000111F140 S145 D153 I158 Q159F140-A155 HydrophobicContact CD2-CB 4.43Å; F140-A155 HydrophobicContact CE2-CB 4.03Å; S145-A155 WeakPolarHBondContact OG-CB 3.4Å; S145-A155 PolarHBondContact OG-N 3.29Å; D153-A155 VanDerWaalsContact C-N 3.25Å; D153-A155 PolarHBondContact O-N 2.82Å; A155-I158 PolarHBondContact O-N 2.96Å; A155-Q159 WeakPolarHBondContact O-CG 3.38Å; A155-Q159 PolarHBondContact O-N 3.28Å; A155-Q159 VanDerWaalsContact O-N 3.11Å
156A97.7Very high97.6Very high28 Ų2843 Ų4323%0.23122%0.224CC..Hα-helixtrans-61.8-43.817500000112.2D153 I158 Q159 Q160D153-A156 HydrophobicContact CB-CB 4.24Å; D153-A156 PolarHBondContact O-N 3.05Å; D153-A156 PolarHBondContact OD1-N 2.81Å; D153-A156 VanDerWaalsContact OD2-CB 3.3Å; D153-A156 WeakPolarHBondContact OD2-CB 3.26Å; A156-I158 VanDerWaalsContact C-N 3.34Å; A156-I158 PolarHBondContact O-N 3.07Å; A156-Q159 PolarHBondContact O-N 3.08Å; A156-Q160 WeakPolarHBondContact O-CG 3.33Å; A156-Q160 PolarHBondContact O-N 2.7Å
157A98.1Very high97.5Very high0 Ų040.4 Ų40.40%021%0.21CC..Hα-helixtrans-60-42.617800000112.3F79 T108 H111 D153 P154 Q160 G161F79-A157 HydrophobicContact CD1-CB 3.8Å; F79-A157 HydrophobicContact CE1-CB 3.7Å; F79-A157 HydrophobicContact CG-CB 4.45Å; F79-A157 HydrophobicContact CZ-CB 4.27Å; T108-A157 HydrophobicContact CG2-CB 3.89Å; H111-A157 HydrophobicContact CB-CB 4.28Å; D153-A157 PolarHBondContact O-N 3.17Å; P154-A157 PolarHBondContact O-N 2.77Å; A157-Q160 PolarHBondContact O-N 3.39Å; A157-G161 PolarHBondContact O-N 2.72Å
158I98.2Very high97.3Very high2 Ų242 Ų421%0.0122%0.218CC..Hα-helixtrans-63.4-43.4176.7-65.7158.6000111.2P104 I107 V135 C138 P154 A155 A156 G161 K162P104-I158 HydrophobicContact CB-CD1 4.11Å; I107-I158 HydrophobicContact CB-CG1 4.03Å; I107-I158 HydrophobicContact CD1-CG1 4.08Å; I107-I158 HydrophobicContact CG2-CB 4.26Å; I107-I158 HydrophobicContact CG2-CG1 3.63Å; V135-I158 HydrophobicContact CB-CG2 4.47Å; C138-I158 HydrophobicContact CB-CD1 4.49Å; C138-I158 HydrophobicContact CB-CG2 3.62Å; P154-I158 WeakPolarHBondContact O-CD1 3.48Å; P154-I158 VanDerWaalsContact O-CG1 3.24Å; P154-I158 WeakPolarHBondContact O-CG1 3.35Å; P154-I158 PolarHBondContact O-N 3Å; A155-I158 PolarHBondContact O-N 2.96Å; A156-I158 VanDerWaalsContact C-N 3.34Å; A156-I158 PolarHBondContact O-N 3.07Å; I158-G161 CarbonylContact O-C 3.58Å; I158-G161 WeakPolarHBondContact O-CA 3.41Å; I158-G161 PolarHBondContact O-N 3.44Å; I158-K162 PolarHBondContact O-N 3.28Å
159Q97.6Very high97Very high57 Ų5748.3 Ų48.327%0.26624%0.244SC..Hα-helixtrans-65.7-39.6179.2-64.6-50.6-40.300112.2F140 A155 A156 G161 K162 V163F140-Q159 HydrophobicContact CD2-CG 3.71Å; F140-Q159 HydrophobicContact CE2-CG 3.54Å; F140-Q159 HydrophobicContact CZ-CG 4.27Å; A155-Q159 WeakPolarHBondContact O-CG 3.38Å; A155-Q159 PolarHBondContact O-N 3.28Å; A155-Q159 VanDerWaalsContact O-N 3.11Å; A156-Q159 PolarHBondContact O-N 3.08Å; Q159-G161 VanDerWaalsContact C-N 3.3Å; Q159-G161 PolarHBondContact O-N 3.43Å; Q159-K162 WeakPolarHBondContact O-CB 3.5Å; Q159-K162 PolarHBondContact O-N 3.37Å; Q159-V163 PolarHBondContact O-N 3.38Å; Q159-V163 VanDerWaalsContact O-N 3.15Å
160Q97.5Very high96.8Very high84 Ų8452 Ų5239%0.39326%0.262SS..Hα-helixtrans-62.9-39.9171.8-68.1-179.257.100111.2H111 A156 A157 K162 V163 E164H111-Q160 PolarHBondContact NE2-OE1 3.46Å; H111-Q160 VanDerWaalsContact NE2-OE1 3.13Å; A156-Q160 WeakPolarHBondContact O-CG 3.33Å; A156-Q160 PolarHBondContact O-N 2.7Å; A157-Q160 PolarHBondContact O-N 3.39Å; Q160-K162 VanDerWaalsContact C-N 3.34Å; Q160-K162 PolarHBondContact O-N 3.16Å; Q160-V163 WeakPolarHBondContact O-CB 3.28Å; Q160-V163 PolarHBondContact O-N 3.45Å; Q160-V163 VanDerWaalsContact O-N 3.16Å; Q160-E164 PolarHBondContact O-N 2.9Å
161G97.4Very high96.6Very high1 Ų151.4 Ų51.41%0.0126%0.263CS..Hα-helixtrans-58.8-38.917200000113.8A157 I158 Q159 E164 S165A157-G161 PolarHBondContact O-N 2.72Å; I158-G161 CarbonylContact O-C 3.58Å; I158-G161 WeakPolarHBondContact O-CA 3.41Å; I158-G161 PolarHBondContact O-N 3.44Å; Q159-G161 VanDerWaalsContact C-N 3.3Å; Q159-G161 PolarHBondContact O-N 3.43Å; G161-E164 PolarHBondContact O-N 3.09Å; G161-S165 WeakPolarHBondContact O-CB 3.45Å; G161-S165 PolarHBondContact O-N 2.83Å
162K97.8Very high96.3Very high31 Ų3148.8 Ų48.814%0.13526%0.264CS..Hα-helixtrans-65-37.4173.8-71.1-176178.9-170.60112.6V135 W136 C138 I158 Q159 Q160 S165 S166V135-K162 HydrophobicContact CB-CG 3.94Å; V135-K162 HydrophobicContact CG2-CG 3.82Å; V135-K162 WeakPolarHBondContact O-CE 3.38Å; W136-K162 HydrophobicContact CE3-CD 4.13Å; W136-K162 HydrophobicContact CE3-CG 4.28Å; W136-K162 HydrophobicContact CH2-CB 4.13Å; W136-K162 HydrophobicContact CH2-CG 4.41Å; W136-K162 HydrophobicContact CZ2-CB 4.42Å; W136-K162 HydrophobicContact CZ3-CB 4.36Å; W136-K162 HydrophobicContact CZ3-CD 4.02Å; W136-K162 HydrophobicContact CZ3-CG 4.22Å; C138-K162 PolarHBondContact O-NZ 3.03Å; I158-K162 PolarHBondContact O-N 3.28Å; Q159-K162 WeakPolarHBondContact O-CB 3.5Å; Q159-K162 PolarHBondContact O-N 3.37Å; Q160-K162 VanDerWaalsContact C-N 3.34Å; Q160-K162 PolarHBondContact O-N 3.16Å; K162-S165 PolarHBondContact O-N 3.15Å; K162-S166 WeakPolarHBondContact O-CB 3.33Å; K162-S166 PolarHBondContact O-N 2.98Å; K162-S166 PolarHBondContact O-OG 3.41Å
163V97.6Very high96Very high77 Ų7752.9 Ų52.947%0.46729%0.289SS..Hα-helixtrans-63.5-46.2174.1173.10000110.4Q159 Q160 S166 K167Q159-V163 PolarHBondContact O-N 3.38Å; Q159-V163 VanDerWaalsContact O-N 3.15Å; Q160-V163 WeakPolarHBondContact O-CB 3.28Å; Q160-V163 PolarHBondContact O-N 3.45Å; Q160-V163 VanDerWaalsContact O-N 3.16Å; V163-S166 PolarHBondContact O-N 3.19Å; V163-K167 WeakPolarHBondContact O-CG 3.42Å; V163-K167 PolarHBondContact O-N 3.02Å
164E97Very high95.7Very high33 Ų3356.4 Ų56.415%0.15431%0.307CS..Hα-helixtrans-63.9-41176.3-64.7-54.8117.700112.2K122 M126 Q160 G161 S166 K167 D168K122-E164 IonicContact NZ-OE2 3.68Å; K122-E164 PolarHBondContact NZ-OE2 3.4Å; M126-E164 HydrophobicContact CE-CB 3.88Å; M126-E164 HydrophobicContact SD-CB 4.27Å; Q160-E164 PolarHBondContact O-N 2.9Å; G161-E164 PolarHBondContact O-N 3.09Å; E164-S166 VanDerWaalsContact C-N 3.32Å; E164-S166 PolarHBondContact O-N 3.36Å; E164-K167 PolarHBondContact O-N 3.49Å; E164-K167 IonicContact OE1-NZ 2.69Å; E164-K167 PolarHBondContact OE1-NZ 2.92Å; E164-D168 PolarHBondContact O-N 3.36Å
165S96.7Very high95.1Very high7 Ų763.5 Ų63.55%0.04934%0.338CS..Hα-helixtrans-59-42.3173.5-171.80000112.4N130 W136 G161 K162 D168 F169N130-S165 VanDerWaalsContact OD1-CA 3.29Å; N130-S165 WeakPolarHBondContact OD1-CA 3.46Å; N130-S165 WeakPolarHBondContact OD1-CB 3.38Å; N130-S165 PolarHBondContact OD1-OG 3.08Å; W136-S165 PolarHBondContact NE1-OG 2.7Å; G161-S165 WeakPolarHBondContact O-CB 3.45Å; G161-S165 PolarHBondContact O-N 2.83Å; K162-S165 PolarHBondContact O-N 3.15Å; S165-D168 PolarHBondContact O-N 2.87Å; S165-F169 PolarHBondContact O-N 3.2Å
166S96.8Very high93.8Very high55 Ų5568.6 Ų68.639%0.38537%0.37SS..Hα-helixtrans-66.1-39.1177.9-56.50000111.9K162 V163 E164 L170K162-S166 WeakPolarHBondContact O-CB 3.33Å; K162-S166 PolarHBondContact O-N 2.98Å; K162-S166 PolarHBondContact O-OG 3.41Å; V163-S166 PolarHBondContact O-N 3.19Å; E164-S166 VanDerWaalsContact C-N 3.32Å; E164-S166 PolarHBondContact O-N 3.36Å; S166-L170 WeakPolarHBondContact O-CB 3.47Å; S166-L170 PolarHBondContact O-N 2.99Å
167K96.2Very high92Very high100 Ų10082.5 Ų82.544%0.43542%0.417SS..Hα-helixtrans-64.3-46.2173.5-69.7171.8-173.7167.20111.2V163 E164 F169 L170 I171V163-K167 WeakPolarHBondContact O-CG 3.42Å; V163-K167 PolarHBondContact O-N 3.02Å; E164-K167 PolarHBondContact O-N 3.49Å; E164-K167 IonicContact OE1-NZ 2.69Å; E164-K167 PolarHBondContact OE1-NZ 2.92Å; K167-F169 VanDerWaalsContact C-N 3.33Å; K167-F169 PolarHBondContact O-N 3.49Å; K167-L170 PolarHBondContact O-N 3.19Å; K167-I171 WeakPolarHBondContact O-CB 3.37Å; K167-I171 VanDerWaalsContact O-CG1 3.27Å; K167-I171 WeakPolarHBondContact O-CG1 3.38Å; K167-I171 PolarHBondContact O-N 3.4Å
168D92.8Very high91.7Very high50 Ų5086.7 Ų86.727%0.26744%0.438SS..Hα-helixtrans-57.8-45.8177.5-79.6-5.3000111.2M126 N130 E164 S165 I171 A172M126-D168 WeakPolarHBondContact CB-OD2 3.36Å; M126-D168 VanDerWaalsContact CE-OD2 3.31Å; M126-D168 WeakPolarHBondContact CE-OD2 3.45Å; M126-D168 WeakPolarHBondContact CG-OD2 3.48Å; N130-D168 PolarHBondContact ND2-OD2 3.29Å; E164-D168 PolarHBondContact O-N 3.36Å; S165-D168 PolarHBondContact O-N 2.87Å; D168-I171 PolarHBondContact O-N 3.05Å; D168-A172 VanDerWaalsContact O-CB 3.28Å; D168-A172 WeakPolarHBondContact O-CB 3.45Å; D168-A172 PolarHBondContact O-N 2.55Å
169F92.4Very high91.4Very high149 Ų14991.1 Ų91.165%0.65446%0.46SS*.Hα-helixtrans-60.1-47.3175.8176.2-98000112.1S165 K167 A172 T173S165-F169 PolarHBondContact O-N 3.2Å; K167-F169 VanDerWaalsContact C-N 3.33Å; K167-F169 PolarHBondContact O-N 3.49Å; F169-A172 PolarHBondContact O-N 3.39Å; F169-T173 WeakPolarHBondContact O-CB 3.22Å; F169-T173 PolarHBondContact O-N 3.31Å; F169-T173 PolarHBondContact O-OG1 2.68Å
170L94Very high91.1Very high99 Ų9993 Ų9352%0.51847%0.471SS..Hα-helixtrans-62.3-46.1179.5-176.964.4000111.6S166 K167 A172 T173 L174S166-L170 WeakPolarHBondContact O-CB 3.47Å; S166-L170 PolarHBondContact O-N 2.99Å; K167-L170 PolarHBondContact O-N 3.19Å; L170-A172 PolarHBondContact O-N 3.1Å; L170-T173 PolarHBondContact O-N 3.09Å; L170-L174 HydrophobicContact CD1-CD1 3.63Å; L170-L174 HydrophobicContact CD1-CG 4.05Å; L170-L174 HydrophobicContact CG-CD1 3.88Å; L170-L174 HydrophobicContact CG-CG 4.49Å; L170-L174 WeakPolarHBondContact O-CB 3.19Å; L170-L174 WeakPolarHBondContact O-CG 3.42Å; L170-L174 PolarHBondContact O-N 3.07Å
171I92.5Very high90.7Very high101 Ų10193.5 Ų93.552%0.51848%0.476SS..Hα-helixtrans-61.7-44.9177.9-68.1165.8000110.4K167 D168 T173 L174 K175K167-I171 WeakPolarHBondContact O-CB 3.37Å; K167-I171 VanDerWaalsContact O-CG1 3.27Å; K167-I171 WeakPolarHBondContact O-CG1 3.38Å; K167-I171 PolarHBondContact O-N 3.4Å; D168-I171 PolarHBondContact O-N 3.05Å; I171-T173 VanDerWaalsContact C-N 3.31Å; I171-T173 PolarHBondContact O-N 3Å; I171-L174 PolarHBondContact O-N 2.94Å; I171-K175 WeakPolarHBondContact O-CB 2.99Å; I171-K175 PolarHBondContact O-N 3.49Å
172A89.5Confident90.3Very high77 Ų7799.3 Ų99.364%0.63651%0.505SS*.Hα-helixtrans-65.8-33.2179.400000112.9D168 F169 L170D168-A172 VanDerWaalsContact O-CB 3.28Å; D168-A172 WeakPolarHBondContact O-CB 3.45Å; D168-A172 PolarHBondContact O-N 2.55Å; F169-A172 PolarHBondContact O-N 3.39Å; L170-A172 PolarHBondContact O-N 3.1Å
173T91Very high89.8Confident90 Ų90103.9 Ų103.955%0.55253%0.529SS*.Hα-helixtrans-75.1-39.6178.2-53.20000111.5F169 L170 I171F169-T173 WeakPolarHBondContact O-CB 3.22Å; F169-T173 PolarHBondContact O-N 3.31Å; F169-T173 PolarHBondContact O-OG1 2.68Å; L170-T173 PolarHBondContact O-N 3.09Å; I171-T173 VanDerWaalsContact C-N 3.31Å; I171-T173 PolarHBondContact O-N 3Å
174L92.3Very high89.2Confident131 Ų131105.8 Ų105.869%0.68653%0.534SS*.Hα-helixtrans-88.1-20.7-174.8-66.6179.4000114.3L170 I171 P176L170-L174 HydrophobicContact CD1-CD1 3.63Å; L170-L174 HydrophobicContact CD1-CG 4.05Å; L170-L174 HydrophobicContact CG-CD1 3.88Å; L170-L174 HydrophobicContact CG-CG 4.49Å; L170-L174 WeakPolarHBondContact O-CB 3.19Å; L170-L174 WeakPolarHBondContact O-CG 3.42Å; L170-L174 PolarHBondContact O-N 3.07Å; I171-L174 PolarHBondContact O-N 2.94Å; L174-P176 WeakPolarHBondContact O-CD 3.43Å
175K85.2Confident88.6Confident155 Ų155111.4 Ų111.467%0.67456%0.563SS**SBendtrans-94.2102178.9-165.3174.2-176.91780109.2I171 R177I171-K175 WeakPolarHBondContact O-CB 2.99Å; I171-K175 PolarHBondContact O-N 3.49Å; K175-R177 PolarHBondContact O-N 3.36Å
176P71.5Confident87.9Confident113 Ų113120.1 Ų120.173%0.73461%0.606SS**  trans-57.8137.5172.324.2-31.8000109.1L174L174-P176 WeakPolarHBondContact O-CD 3.43Å
177R60.9Low87.1Confident321 Ų321126 Ų126100%1.21163%0.626SS**  trans-67.90174.3-65.9-178.684.6143.10.9110.8K175K175-R177 PolarHBondContact O-N 3.36Å

Retrieved 177 of 177 residues in 145.5 ms (Link to these results)

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