A0A077ZED3_TRITR Loading...

Survival of motor neuron splicing factor

AlphaFold DB , UniProt , Accession A0A077ZED3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 239 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
1M66.7Low86.8Confident115 Ų11577.5 Ų77.557%0.56739%0.391SS*.  0-46.60-76.3-163.3-79.400111.3D3 L4 H5 N52 A56M1-D3 PolarHBondContact O-N 3.5Å; M1-L4 PolarHBondContact O-N 3.09Å; M1-L4 VanDerWaalsContact O-N 3.14Å; M1-H5 PolarHBondContact O-N 2.95Å; M1-H5 PolarHBondContact O-ND1 2.94Å; M1-N52 HydrophobicContact CG-CB 4.16Å; M1-N52 HydrophobicContact SD-CB 4.29Å; M1-A56 HydrophobicContact CE-CB 4.43Å
2E75.6Confident87.4Confident128 Ų12876.3 Ų76.360%0.59839%0.386SS*.Hα-helixtrans-58.6-42.2-178.7-164170-166.200113.5L4 H5 A6E2-L4 VanDerWaalsContact C-N 3.3Å; E2-L4 PolarHBondContact O-N 2.81Å; E2-H5 PolarHBondContact O-N 3.05Å; E2-H5 VanDerWaalsContact O-N 3.15Å; E2-A6 PolarHBondContact O-N 3.46Å
3D82.9Confident88.2Confident59 Ų5975.8 Ų75.832%0.31639%0.389SS..Hα-helixtrans-61.7-34.9176-63.8-36.9000113.3M1 N7 K87 N88M1-D3 PolarHBondContact O-N 3.5Å; D3-N7 WeakPolarHBondContact O-CB 3.42Å; D3-N7 PolarHBondContact O-N 3.13Å; D3-N7 PolarHBondContact O-ND2 3.37Å; D3-K87 WeakPolarHBondContact OD1-CE 3.31Å; D3-N88 PolarHBondContact OD2-OD1 3.26Å
4L86.9Confident88.7Confident44 Ų4476.4 Ų76.423%0.2339%0.389CS..Hα-helixtrans-68.5-39.3176.4-84.178.5000110.9M1 E2 N7 L8 L48 V49M1-L4 PolarHBondContact O-N 3.09Å; M1-L4 VanDerWaalsContact O-N 3.14Å; E2-L4 VanDerWaalsContact C-N 3.3Å; E2-L4 PolarHBondContact O-N 2.81Å; L4-N7 PolarHBondContact O-N 3.31Å; L4-L8 WeakPolarHBondContact O-CB 3.27Å; L4-L8 PolarHBondContact O-N 2.87Å; L4-L48 HydrophobicContact CD2-CB 3.81Å; L4-V49 HydrophobicContact CB-CG2 3.83Å; L4-V49 HydrophobicContact CD2-CG2 3.97Å
5H86.9Confident89.2Confident82 Ų8272.9 Ų72.938%0.3837%0.372SS..Hα-helixtrans-66.5-44.8176.8-7081.3000111.2M1 E2 N7 L8 E9M1-H5 PolarHBondContact O-N 2.95Å; M1-H5 PolarHBondContact O-ND1 2.94Å; E2-H5 PolarHBondContact O-N 3.05Å; E2-H5 VanDerWaalsContact O-N 3.15Å; H5-N7 VanDerWaalsContact C-N 3.31Å; H5-N7 PolarHBondContact O-N 3.43Å; H5-L8 WeakPolarHBondContact O-CB 2.98Å; H5-L8 PolarHBondContact O-N 3.34Å; H5-E9 PolarHBondContact O-N 3.31Å
6A88.4Confident89.6Confident42 Ų4276.4 Ų76.435%0.34739%0.386SS..Hα-helixtrans-61.5-39.5175.600000112E2 N10E2-A6 PolarHBondContact O-N 3.46Å; A6-N10 VanDerWaalsContact O-CG 3.28Å; A6-N10 PolarHBondContact O-N 2.93Å; A6-N10 VanDerWaalsContact O-N 3.08Å; A6-N10 PolarHBondContact O-ND2 3.36Å
7N90.5Very high90Very high69 Ų6979.2 Ų79.237%0.36940%0.398SS..Hα-helixtrans-65.4-42.3174.4-71.4-19.4000111.9D3 L4 H5 E9 N10 Y11D3-N7 WeakPolarHBondContact O-CB 3.42Å; D3-N7 PolarHBondContact O-N 3.13Å; D3-N7 PolarHBondContact O-ND2 3.37Å; L4-N7 PolarHBondContact O-N 3.31Å; H5-N7 VanDerWaalsContact C-N 3.31Å; H5-N7 PolarHBondContact O-N 3.43Å; N7-E9 PolarHBondContact O-N 3.5Å; N7-N10 WeakPolarHBondContact O-CB 3.35Å; N7-N10 PolarHBondContact O-N 3.39Å; N7-Y11 HydrophobicContact CB-CD2 4.41Å; N7-Y11 HydrophobicContact CB-CE2 3.8Å; N7-Y11 WeakPolarHBondContact O-CD2 3.43Å; N7-Y11 PolarHBondContact O-N 3.25Å
8L92.1Very high90.3Very high26 Ų2675.5 Ų75.514%0.13638%0.38CS..Hα-helixtrans-58.8-46.4176.3-163.3-177.6000111.1L4 H5 N10 Y11 N12 T45 N46L4-L8 WeakPolarHBondContact O-CB 3.27Å; L4-L8 PolarHBondContact O-N 2.87Å; H5-L8 WeakPolarHBondContact O-CB 2.98Å; H5-L8 PolarHBondContact O-N 3.34Å; L8-N10 VanDerWaalsContact C-N 3.34Å; L8-N10 PolarHBondContact O-N 2.92Å; L8-Y11 PolarHBondContact O-N 2.9Å; L8-N12 WeakPolarHBondContact CD2-ND2 3.33Å; L8-N12 PolarHBondContact O-N 3.12Å; L8-N12 PolarHBondContact O-ND2 3.06Å; L8-T45 HydrophobicContact CB-CG2 4.22Å; L8-T45 HydrophobicContact CG-CG2 4.47Å; L8-N46 VanDerWaalsContact CD1-OD1 3.27Å; L8-N46 WeakPolarHBondContact CD1-OD1 3.26Å
9E93.2Very high90.5Very high133 Ų13375.3 Ų75.362%0.62138%0.377SS*.Hα-helixtrans-58.3-45.4174-71.7179.6-179.400111.9H5 N7 Y11 N12 V13H5-E9 PolarHBondContact O-N 3.31Å; N7-E9 PolarHBondContact O-N 3.5Å; E9-Y11 PolarHBondContact O-N 3.47Å; E9-N12 PolarHBondContact O-N 3.29Å; E9-V13 WeakPolarHBondContact O-CG2 3.44Å; E9-V13 PolarHBondContact O-N 3.45Å
10N94.7Very high90.7Very high89 Ų8974.6 Ų74.648%0.47638%0.383SS..Hα-helixtrans-62.1-41.3176.5-71.6-38.7000112.5A6 N7 L8 V13 Q14A6-N10 VanDerWaalsContact O-CG 3.28Å; A6-N10 PolarHBondContact O-N 2.93Å; A6-N10 VanDerWaalsContact O-N 3.08Å; A6-N10 PolarHBondContact O-ND2 3.36Å; N7-N10 WeakPolarHBondContact O-CB 3.35Å; N7-N10 PolarHBondContact O-N 3.39Å; L8-N10 VanDerWaalsContact C-N 3.34Å; L8-N10 PolarHBondContact O-N 2.92Å; N10-V13 PolarHBondContact O-N 3.34Å; N10-Q14 WeakPolarHBondContact O-CG 3.38Å; N10-Q14 PolarHBondContact O-N 2.86Å
11Y96.5Very high90.9Very high66 Ų6672.7 Ų72.726%0.25938%0.379SS..Hα-helixtrans-67-39.3177.1-60.6-41.3000112N7 L8 E9 V13 Q14 L15 V41N7-Y11 HydrophobicContact CB-CD2 4.41Å; N7-Y11 HydrophobicContact CB-CE2 3.8Å; N7-Y11 WeakPolarHBondContact O-CD2 3.43Å; N7-Y11 PolarHBondContact O-N 3.25Å; L8-Y11 PolarHBondContact O-N 2.9Å; E9-Y11 PolarHBondContact O-N 3.47Å; Y11-V13 VanDerWaalsContact C-N 3.33Å; Y11-V13 PolarHBondContact O-N 3.39Å; Y11-Q14 PolarHBondContact O-N 2.9Å; Y11-L15 WeakPolarHBondContact O-CB 3.49Å; Y11-L15 PolarHBondContact O-N 3.41Å; Y11-V41 HydrophobicContact CD2-CG1 3.87Å; Y11-V41 HydrophobicContact CE1-CG1 4.39Å; Y11-V41 HydrophobicContact CE2-CG1 3.73Å; Y11-V41 HydrophobicContact CG-CG1 4.28Å
12N95.1Very high92.2Very high63 Ų6368.6 Ų68.634%0.33736%0.359SS..Hα-helixtrans-61.1-41.9173.4-77-26.5000111.9L8 E9 L15 Q16L8-N12 WeakPolarHBondContact CD2-ND2 3.33Å; L8-N12 PolarHBondContact O-N 3.12Å; L8-N12 PolarHBondContact O-ND2 3.06Å; E9-N12 PolarHBondContact O-N 3.29Å; N12-L15 PolarHBondContact O-N 3.3Å; N12-Q16 WeakPolarHBondContact O-CG 3.44Å; N12-Q16 PolarHBondContact O-N 3.41Å
13V96.8Very high93Very high69 Ų6969.2 Ų69.242%0.41837%0.365SS..Hα-helixtrans-64.3-42176.2172.20000111E9 N10 Y11 Q16 Q17E9-V13 WeakPolarHBondContact O-CG2 3.44Å; E9-V13 PolarHBondContact O-N 3.45Å; N10-V13 PolarHBondContact O-N 3.34Å; Y11-V13 VanDerWaalsContact C-N 3.33Å; Y11-V13 PolarHBondContact O-N 3.39Å; V13-Q16 PolarHBondContact O-N 2.89Å; V13-Q17 WeakPolarHBondContact O-CG 3.42Å; V13-Q17 PolarHBondContact O-N 3.39Å; V13-Q17 VanDerWaalsContact O-N 3.08Å
14Q95.1Very high93.5Very high84 Ų8470.3 Ų70.339%0.39338%0.382SS..Hα-helixtrans-62.9-42174.8-71.3172.130.400111.8N10 Y11 Q16 Q17 V18 L38N10-Q14 WeakPolarHBondContact O-CG 3.38Å; N10-Q14 PolarHBondContact O-N 2.86Å; Y11-Q14 PolarHBondContact O-N 2.9Å; Q14-Q16 PolarHBondContact O-N 2.91Å; Q14-Q17 WeakPolarHBondContact O-CB 3.47Å; Q14-Q17 PolarHBondContact O-N 3.37Å; Q14-Q17 VanDerWaalsContact O-N 3.17Å; Q14-V18 WeakPolarHBondContact O-CG2 3.41Å; Q14-V18 PolarHBondContact O-N 3.04Å; Q14-L38 HydrophobicContact CB-CD1 4.11Å; Q14-L38 HydrophobicContact CB-CD2 4.41Å
15L96.4Very high93.8Very high25 Ų2574.1 Ų74.113%0.13140%0.399CS..Hα-helixtrans-59-47176.7-175.767.9000110.9Y11 N12 Q17 V18 E19 K35 L38 E39 I42Y11-L15 WeakPolarHBondContact O-CB 3.49Å; Y11-L15 PolarHBondContact O-N 3.41Å; N12-L15 PolarHBondContact O-N 3.3Å; L15-Q17 VanDerWaalsContact C-N 3.31Å; L15-Q17 PolarHBondContact O-N 3.32Å; L15-V18 PolarHBondContact O-N 3.44Å; L15-V18 VanDerWaalsContact O-N 3.16Å; L15-E19 WeakPolarHBondContact O-CG 3.34Å; L15-E19 PolarHBondContact O-N 3.34Å; L15-K35 HydrophobicContact CD1-CG 3.84Å; L15-L38 HydrophobicContact CB-CD1 4.47Å; L15-L38 HydrophobicContact CD1-CB 4.05Å; L15-L38 HydrophobicContact CD1-CD1 4.48Å; L15-E39 HydrophobicContact CD1-CG 4.13Å; L15-E39 HydrophobicContact CD2-CG 4.4Å; L15-I42 HydrophobicContact CB-CD1 4.34Å; L15-I42 HydrophobicContact CD2-CD1 3.94Å
16Q96.1Very high93.9Very high129 Ų12974.2 Ų74.260%0.60341%0.407SS*.Hα-helixtrans-60.1-39.1175.8-72.3178.6-4.700112.7N12 V13 Q14 E19 A20N12-Q16 WeakPolarHBondContact O-CG 3.44Å; N12-Q16 PolarHBondContact O-N 3.41Å; V13-Q16 PolarHBondContact O-N 2.89Å; Q14-Q16 PolarHBondContact O-N 2.91Å; Q16-E19 PolarHBondContact O-N 3.37Å; Q16-A20 WeakPolarHBondContact O-CB 3.31Å; Q16-A20 PolarHBondContact O-N 3.34Å
17Q95.8Very high94Very high124 Ų12475.6 Ų75.658%0.57943%0.425SS*.Hα-helixtrans-64.7-41.7175.5-70.9170.98.100111.7V13 Q14 L15 A20 A21V13-Q17 WeakPolarHBondContact O-CG 3.42Å; V13-Q17 PolarHBondContact O-N 3.39Å; V13-Q17 VanDerWaalsContact O-N 3.08Å; Q14-Q17 WeakPolarHBondContact O-CB 3.47Å; Q14-Q17 PolarHBondContact O-N 3.37Å; Q14-Q17 VanDerWaalsContact O-N 3.17Å; L15-Q17 VanDerWaalsContact C-N 3.31Å; L15-Q17 PolarHBondContact O-N 3.32Å; Q17-A20 PolarHBondContact O-N 3.05Å; Q17-A21 WeakPolarHBondContact O-CB 3.37Å; Q17-A21 PolarHBondContact O-N 3.48Å
18V96Very high94Very high12 Ų1273.5 Ų73.57%0.07342%0.416CS..Hα-helixtrans-66.4-39.9176.4173.40000111Q14 L15 A21 L22 L31 L34 K35 L38Q14-V18 WeakPolarHBondContact O-CG2 3.41Å; Q14-V18 PolarHBondContact O-N 3.04Å; L15-V18 PolarHBondContact O-N 3.44Å; L15-V18 VanDerWaalsContact O-N 3.16Å; V18-A21 CarbonylContact O-C 3.55Å; V18-A21 PolarHBondContact O-N 2.93Å; V18-L22 HydrophobicContact CG1-CD1 4.24Å; V18-L22 WeakPolarHBondContact O-CB 3.48Å; V18-L22 WeakPolarHBondContact O-CG 3.42Å; V18-L22 PolarHBondContact O-N 3.01Å; V18-L31 HydrophobicContact CG1-CB 4.43Å; V18-L31 HydrophobicContact CG1-CD2 4.33Å; V18-L31 WeakPolarHBondContact CG1-O 3.38Å; V18-L34 HydrophobicContact CG2-CD2 3.54Å; V18-L34 HydrophobicContact CG2-CG 3.97Å; V18-K35 HydrophobicContact CG1-CB 4.02Å; V18-L38 HydrophobicContact CG2-CD1 3.96Å
19E93.9Very high94.1Very high72 Ų7278.7 Ų78.734%0.33644%0.439SS..Hα-helixtrans-64.8-42.3175.1-71.6-173.3149.300112.4L15 Q16 A21 L22 I23 K35L15-E19 WeakPolarHBondContact O-CG 3.34Å; L15-E19 PolarHBondContact O-N 3.34Å; Q16-E19 PolarHBondContact O-N 3.37Å; E19-A21 VanDerWaalsContact C-N 3.32Å; E19-A21 PolarHBondContact O-N 2.92Å; E19-L22 WeakPolarHBondContact O-CB 3.25Å; E19-L22 PolarHBondContact O-N 3.23Å; E19-I23 WeakPolarHBondContact O-CG1 3.46Å; E19-I23 PolarHBondContact O-N 3.22Å; E19-K35 HydrophobicContact CG-CD 4.33Å; E19-K35 IonicContact OE1-NZ 4Å; E19-K35 PolarHBondContact OE1-NZ 3.43Å
20A94.9Very high94.1Very high60 Ų6080 Ų8050%0.49645%0.445SS..Hα-helixtrans-62.1-40.8172.700000111.7Q16 Q17 L22 I23 A24Q16-A20 WeakPolarHBondContact O-CB 3.31Å; Q16-A20 PolarHBondContact O-N 3.34Å; Q17-A20 PolarHBondContact O-N 3.05Å; A20-L22 VanDerWaalsContact C-N 3.34Å; A20-I23 PolarHBondContact O-N 3.19Å; A20-A24 PolarHBondContact O-N 3.28Å
21A94.8Very high94.2Very high35 Ų3577 Ų7729%0.28943%0.429SS..Hα-helixtrans-65.6-35.7174.700000112.1Q17 V18 E19 I23 A24 E25 L31Q17-A21 WeakPolarHBondContact O-CB 3.37Å; Q17-A21 PolarHBondContact O-N 3.48Å; V18-A21 CarbonylContact O-C 3.55Å; V18-A21 PolarHBondContact O-N 2.93Å; E19-A21 VanDerWaalsContact C-N 3.32Å; E19-A21 PolarHBondContact O-N 2.92Å; A21-I23 VanDerWaalsContact C-N 3.34Å; A21-I23 PolarHBondContact O-N 2.9Å; A21-A24 PolarHBondContact O-N 2.91Å; A21-E25 PolarHBondContact O-N 3.35Å; A21-L31 HydrophobicContact CB-CD1 3.72Å; A21-L31 HydrophobicContact CB-CD2 4.19Å
22L94Very high94Very high29 Ų2979.5 Ų79.515%0.15244%0.441CS..Hα-helixtrans-67.5-31.4174.8-81.4169.2000113V18 E19 A20 A24 E25 P26 L31 K32 K35V18-L22 HydrophobicContact CG1-CD1 4.24Å; V18-L22 WeakPolarHBondContact O-CB 3.48Å; V18-L22 WeakPolarHBondContact O-CG 3.42Å; V18-L22 PolarHBondContact O-N 3.01Å; E19-L22 WeakPolarHBondContact O-CB 3.25Å; E19-L22 PolarHBondContact O-N 3.23Å; A20-L22 VanDerWaalsContact C-N 3.34Å; L22-A24 VanDerWaalsContact C-N 3.34Å; L22-E25 CarbonylContact O-C 3.59Å; L22-P26 WeakPolarHBondContact O-CA 3.46Å; L22-L31 HydrophobicContact CD2-CB 3.44Å; L22-L31 VanDerWaalsContact CD2-CB 3.44Å; L22-L31 HydrophobicContact CD2-CD1 4.29Å; L22-L31 HydrophobicContact CG-CB 3.75Å; L22-L31 HydrophobicContact CG-CD1 4.36Å; L22-K32 HydrophobicContact CD2-CG 3.82Å; L22-K35 HydrophobicContact CD1-CB 4.19Å; L22-K35 HydrophobicContact CD1-CD 3.92Å
23I92.6Very high94.1Very high142 Ų14282.8 Ų82.873%0.72845%0.453SS*.Hα-helixtrans-66.8-40172.1-67166.6000110.2E19 A20 A21E19-I23 WeakPolarHBondContact O-CG1 3.46Å; E19-I23 PolarHBondContact O-N 3.22Å; A20-I23 PolarHBondContact O-N 3.19Å; A21-I23 VanDerWaalsContact C-N 3.34Å; A21-I23 PolarHBondContact O-N 2.9Å
24A93.1Very high94Very high81 Ų8183.1 Ų83.167%0.66945%0.452SS*.Hα-helixtrans-73.8-37.8177.600000112.8A20 A21 L22A20-A24 PolarHBondContact O-N 3.28Å; A21-A24 PolarHBondContact O-N 2.91Å; L22-A24 VanDerWaalsContact C-N 3.34Å
25E92.6Very high94Very high124 Ų12481.8 Ų81.858%0.57945%0.445SS*.  trans-128.875.9-177.1-62.3-172.6176.200112.1A21 L22 G27 S28 L31A21-E25 PolarHBondContact O-N 3.35Å; L22-E25 CarbonylContact O-C 3.59Å; E25-G27 PolarHBondContact O-N 3.1Å; E25-G27 VanDerWaalsContact O-N 3.07Å; E25-S28 PolarHBondContact O-N 3.47Å; E25-L31 HydrophobicContact CB-CD1 4.38Å
26P89.7Confident94Very high85 Ų8583 Ų8355%0.55246%0.458SS*.THydrogen-bonded Turntrans-65.1-16.5-177.5-22.433.7000114.8L22 K32L22-P26 WeakPolarHBondContact O-CA 3.46Å; P26-K32 WeakPolarHBondContact O-CE 3.38Å; P26-K32 PolarHBondContact O-NZ 3.16Å; P26-K32 VanDerWaalsContact O-NZ 3.16Å
27G89.4Confident93.9Very high70 Ų7081.2 Ų81.272%0.72245%0.453SS*.THydrogen-bonded Turntrans-88.6-7.9-178.100000115E25 E29E25-G27 PolarHBondContact O-N 3.1Å; E25-G27 VanDerWaalsContact O-N 3.07Å; G27-E29 PolarHBondContact O-N 2.87Å
28S91.9Very high94Very high26 Ų2675.9 Ų75.918%0.18243%0.428CS..  trans-76.7108.2-179.7-177.10000111E25 E30 L31 K32E25-S28 PolarHBondContact O-N 3.47Å; S28-E30 VanDerWaalsContact C-N 3.25Å; S28-E30 PolarHBondContact O-N 2.88Å; S28-L31 PolarHBondContact O-N 3.46Å; S28-L31 PolarHBondContact OG-N 2.81Å; S28-K32 PolarHBondContact O-N 3.43Å
29E93.4Very high94Very high135 Ų13579.7 Ų79.763%0.63145%0.445SS*.Hα-helixtrans-66.1-29.9172.2-67.7-168.3172.600112.2G27 K32 K33G27-E29 PolarHBondContact O-N 2.87Å; E29-K32 PolarHBondContact O-N 2.97Å; E29-K33 WeakPolarHBondContact O-CG 3.38Å; E29-K33 PolarHBondContact O-N 3.26Å
30E94.1Very high94.1Very high159 Ų15981.7 Ų81.774%0.74346%0.455SS*.Hα-helixtrans-63.2-43178-62.9-175.1172.500111.1S28 K32 K33 L34S28-E30 VanDerWaalsContact C-N 3.25Å; S28-E30 PolarHBondContact O-N 2.88Å; E30-K32 VanDerWaalsContact C-N 3.33Å; E30-K32 PolarHBondContact O-N 3.35Å; E30-K33 PolarHBondContact O-N 3.32Å; E30-L34 WeakPolarHBondContact O-CB 3.5Å; E30-L34 PolarHBondContact O-N 2.94Å
31L95.3Very high94.1Very high28 Ų2881.5 Ų81.515%0.14745%0.447CS..Hα-helixtrans-66.8-34.5176.6-68179.1000112.3V18 A21 L22 E25 S28 K35V18-L31 HydrophobicContact CG1-CB 4.43Å; V18-L31 HydrophobicContact CG1-CD2 4.33Å; V18-L31 WeakPolarHBondContact CG1-O 3.38Å; A21-L31 HydrophobicContact CB-CD1 3.72Å; A21-L31 HydrophobicContact CB-CD2 4.19Å; L22-L31 HydrophobicContact CD2-CB 3.44Å; L22-L31 VanDerWaalsContact CD2-CB 3.44Å; L22-L31 HydrophobicContact CD2-CD1 4.29Å; L22-L31 HydrophobicContact CG-CB 3.75Å; L22-L31 HydrophobicContact CG-CD1 4.36Å; E25-L31 HydrophobicContact CB-CD1 4.38Å; S28-L31 PolarHBondContact O-N 3.46Å; S28-L31 PolarHBondContact OG-N 2.81Å; L31-K35 WeakPolarHBondContact O-CB 3.36Å; L31-K35 PolarHBondContact O-N 3.46Å
32K94.2Very high94.1Very high117 Ų11780.6 Ų80.651%0.50944%0.437SS..Hα-helixtrans-67.3-41.8175.3-68.5178.1-174.2167.10111.9L22 P26 S28 E29 E30 A36L22-K32 HydrophobicContact CD2-CG 3.82Å; P26-K32 WeakPolarHBondContact O-CE 3.38Å; P26-K32 PolarHBondContact O-NZ 3.16Å; P26-K32 VanDerWaalsContact O-NZ 3.16Å; S28-K32 PolarHBondContact O-N 3.43Å; E29-K32 PolarHBondContact O-N 2.97Å; E30-K32 VanDerWaalsContact C-N 3.33Å; E30-K32 PolarHBondContact O-N 3.35Å; K32-A36 PolarHBondContact O-N 2.95Å
33K95.3Very high94.2Very high132 Ų13284.7 Ų84.757%0.57446%0.456SS*.Hα-helixtrans-63.8-48.2173.9-71.1175.1-175.51720111E29 E30 K35 A36 D37E29-K33 WeakPolarHBondContact O-CG 3.38Å; E29-K33 PolarHBondContact O-N 3.26Å; E30-K33 PolarHBondContact O-N 3.32Å; K33-K35 VanDerWaalsContact C-N 3.29Å; K33-K35 PolarHBondContact O-N 2.81Å; K33-A36 PolarHBondContact O-N 3.36Å; K33-A36 VanDerWaalsContact O-N 3.09Å; K33-D37 VanDerWaalsContact O-CG 3.28Å; K33-D37 PolarHBondContact O-N 3.5Å
34L95.4Very high94.3Very high77 Ų7781.5 Ų81.540%0.40344%0.439SS..Hα-helixtrans-60-38.7178.7-177.960.8000112.4V18 E30 L38V18-L34 HydrophobicContact CG2-CD2 3.54Å; V18-L34 HydrophobicContact CG2-CG 3.97Å; E30-L34 WeakPolarHBondContact O-CB 3.5Å; E30-L34 PolarHBondContact O-N 2.94Å; L34-L38 HydrophobicContact CD1-CD1 4.41Å; L34-L38 HydrophobicContact CD1-CG 4.33Å; L34-L38 HydrophobicContact CG-CD1 4.21Å; L34-L38 WeakPolarHBondContact O-CB 3.37Å; L34-L38 VanDerWaalsContact O-CG 3.29Å; L34-L38 WeakPolarHBondContact O-CG 3.38Å; L34-L38 PolarHBondContact O-N 3.48Å
35K94.5Very high94.3Very high56 Ų5678.4 Ų78.424%0.24341%0.412CS..Hα-helixtrans-59.3-50.8172.9178.5176.1166.6150.20111.4L15 V18 E19 L22 L31 K33 L38 E39L15-K35 HydrophobicContact CD1-CG 3.84Å; V18-K35 HydrophobicContact CG1-CB 4.02Å; E19-K35 HydrophobicContact CG-CD 4.33Å; E19-K35 IonicContact OE1-NZ 4Å; E19-K35 PolarHBondContact OE1-NZ 3.43Å; L22-K35 HydrophobicContact CD1-CB 4.19Å; L22-K35 HydrophobicContact CD1-CD 3.92Å; L31-K35 WeakPolarHBondContact O-CB 3.36Å; L31-K35 PolarHBondContact O-N 3.46Å; K33-K35 VanDerWaalsContact C-N 3.29Å; K33-K35 PolarHBondContact O-N 2.81Å; K35-L38 PolarHBondContact O-N 2.85Å; K35-E39 WeakPolarHBondContact CE-OE1 3.43Å; K35-E39 IonicContact NZ-OE1 3.29Å; K35-E39 WeakPolarHBondContact O-CG 3.48Å; K35-E39 PolarHBondContact O-N 2.87Å
36A96.2Very high94.4Very high50 Ų5075.5 Ų75.541%0.41340%0.401SS..Hα-helixtrans-61.6-43.8179.800000112K32 K33 L38 E39 E40K32-A36 PolarHBondContact O-N 2.95Å; K33-A36 PolarHBondContact O-N 3.36Å; K33-A36 VanDerWaalsContact O-N 3.09Å; A36-L38 VanDerWaalsContact C-N 3.34Å; A36-L38 PolarHBondContact O-N 2.97Å; A36-E39 PolarHBondContact O-N 2.93Å; A36-E40 PolarHBondContact O-N 3.37Å
37D95.8Very high94.6Very high91 Ų9176.2 Ų76.249%0.48740%0.397SS..Hα-helixtrans-61.9-41.6177-64.2-12.7000111.2K33 E40 V41K33-D37 VanDerWaalsContact O-CG 3.28Å; K33-D37 PolarHBondContact O-N 3.5Å; D37-E40 PolarHBondContact O-N 3.29Å; D37-V41 VanDerWaalsContact O-CG2 3.3Å; D37-V41 WeakPolarHBondContact O-CG2 3.47Å; D37-V41 PolarHBondContact O-N 3.05Å
38L96Very high94.7Very high13 Ų1377.2 Ų77.27%0.06839%0.385CS..Hα-helixtrans-66.4-40.6176.5-77.1173.2000112.3Q14 L15 V18 L34 K35 A36 E40 V41 I42Q14-L38 HydrophobicContact CB-CD1 4.11Å; Q14-L38 HydrophobicContact CB-CD2 4.41Å; L15-L38 HydrophobicContact CB-CD1 4.47Å; L15-L38 HydrophobicContact CD1-CB 4.05Å; L15-L38 HydrophobicContact CD1-CD1 4.48Å; V18-L38 HydrophobicContact CG2-CD1 3.96Å; L34-L38 HydrophobicContact CD1-CD1 4.41Å; L34-L38 HydrophobicContact CD1-CG 4.33Å; L34-L38 HydrophobicContact CG-CD1 4.21Å; L34-L38 WeakPolarHBondContact O-CB 3.37Å; L34-L38 VanDerWaalsContact O-CG 3.29Å; L34-L38 WeakPolarHBondContact O-CG 3.38Å; L34-L38 PolarHBondContact O-N 3.48Å; K35-L38 PolarHBondContact O-N 2.85Å; A36-L38 VanDerWaalsContact C-N 3.34Å; A36-L38 PolarHBondContact O-N 2.97Å; L38-E40 VanDerWaalsContact C-N 3.34Å; L38-V41 PolarHBondContact O-N 3.42Å; L38-I42 WeakPolarHBondContact O-CB 3.28Å; L38-I42 WeakPolarHBondContact O-CD1 3.47Å; L38-I42 VanDerWaalsContact O-CG1 3.23Å; L38-I42 WeakPolarHBondContact O-CG1 3.43Å; L38-I42 PolarHBondContact O-N 2.99Å
39E96.3Very high94.7Very high91 Ų9176.5 Ų76.543%0.42538%0.379SS..Hα-helixtrans-60.9-42.5174.5-74.5175.8167.900111.3L15 K35 A36 I42 Q43L15-E39 HydrophobicContact CD1-CG 4.13Å; L15-E39 HydrophobicContact CD2-CG 4.4Å; K35-E39 WeakPolarHBondContact CE-OE1 3.43Å; K35-E39 IonicContact NZ-OE1 3.29Å; K35-E39 WeakPolarHBondContact O-CG 3.48Å; K35-E39 PolarHBondContact O-N 2.87Å; A36-E39 PolarHBondContact O-N 2.93Å; E39-I42 PolarHBondContact O-N 3.35Å; E39-Q43 WeakPolarHBondContact O-CB 3.35Å; E39-Q43 PolarHBondContact O-N 3.5Å
40E96.3Very high94.5Very high115 Ų11575.8 Ų75.854%0.53738%0.376SS..Hα-helixtrans-62.9-45.8175.1-174.1178.4177.500111.5A36 D37 L38 I42 Q43 I44A36-E40 PolarHBondContact O-N 3.37Å; D37-E40 PolarHBondContact O-N 3.29Å; L38-E40 VanDerWaalsContact C-N 3.34Å; E40-I42 VanDerWaalsContact C-N 3.33Å; E40-I42 PolarHBondContact O-N 2.89Å; E40-Q43 PolarHBondContact O-N 2.94Å; E40-I44 HydrophobicContact CG-CD1 3.9Å; E40-I44 VanDerWaalsContact O-CG1 3.3Å; E40-I44 WeakPolarHBondContact O-CG1 3.46Å; E40-I44 PolarHBondContact O-N 3.36Å
41V95.6Very high94.2Very high55 Ų5570.7 Ų70.733%0.33336%0.361SS..Hα-helixtrans-61.6-41.5177170.50000111.4Y11 D37 L38 T45Y11-V41 HydrophobicContact CD2-CG1 3.87Å; Y11-V41 HydrophobicContact CE1-CG1 4.39Å; Y11-V41 HydrophobicContact CE2-CG1 3.73Å; Y11-V41 HydrophobicContact CG-CG1 4.28Å; D37-V41 VanDerWaalsContact O-CG2 3.3Å; D37-V41 WeakPolarHBondContact O-CG2 3.47Å; D37-V41 PolarHBondContact O-N 3.05Å; L38-V41 PolarHBondContact O-N 3.42Å; V41-T45 VanDerWaalsContact O-CB 3.28Å; V41-T45 WeakPolarHBondContact O-CB 3.23Å; V41-T45 PolarHBondContact O-N 3.33Å; V41-T45 PolarHBondContact O-OG1 3.48Å
42I95.1Very high93.7Very high17 Ų1772.5 Ų72.59%0.08737%0.371CS..Hα-helixtrans-65.3-43.2176.7-70.2162.4000110.5L15 L38 E39 E40 T45 N46L15-I42 HydrophobicContact CB-CD1 4.34Å; L15-I42 HydrophobicContact CD2-CD1 3.94Å; L38-I42 WeakPolarHBondContact O-CB 3.28Å; L38-I42 WeakPolarHBondContact O-CD1 3.47Å; L38-I42 VanDerWaalsContact O-CG1 3.23Å; L38-I42 WeakPolarHBondContact O-CG1 3.43Å; L38-I42 PolarHBondContact O-N 2.99Å; E39-I42 PolarHBondContact O-N 3.35Å; E40-I42 VanDerWaalsContact C-N 3.33Å; E40-I42 PolarHBondContact O-N 2.89Å; I42-T45 PolarHBondContact O-N 3.34Å; I42-N46 WeakPolarHBondContact O-CB 3.46Å; I42-N46 PolarHBondContact O-N 2.91Å; I42-N46 PolarHBondContact O-ND2 2.89Å
43Q95.8Very high93.3Very high115 Ų11570.2 Ų70.254%0.53736%0.363SS..Hα-helixtrans-59.4-51.2176.2-175.9-174.9-20.200111.1E39 E40 T45 N46 E47E39-Q43 WeakPolarHBondContact O-CB 3.35Å; E39-Q43 PolarHBondContact O-N 3.5Å; E40-Q43 PolarHBondContact O-N 2.94Å; Q43-T45 VanDerWaalsContact C-N 3.28Å; Q43-T45 PolarHBondContact O-N 3.12Å; Q43-N46 WeakPolarHBondContact O-CB 3.49Å; Q43-N46 PolarHBondContact O-N 3.23Å; Q43-N46 VanDerWaalsContact O-N 3.16Å; Q43-E47 PolarHBondContact NE2-OE1 2.81Å; Q43-E47 WeakPolarHBondContact O-CG 3.42Å; Q43-E47 PolarHBondContact O-N 3.47Å
44I95.2Very high92.6Very high75 Ų7569 Ų6939%0.38536%0.362SS..Hα-helixtrans-60.4-41.4178.3-66.5166.8000110.5E40 N46 E47 L48E40-I44 HydrophobicContact CG-CD1 3.9Å; E40-I44 VanDerWaalsContact O-CG1 3.3Å; E40-I44 WeakPolarHBondContact O-CG1 3.46Å; E40-I44 PolarHBondContact O-N 3.36Å; I44-N46 VanDerWaalsContact C-N 3.35Å; I44-N46 PolarHBondContact O-N 3.33Å; I44-E47 PolarHBondContact O-N 3.22Å; I44-L48 HydrophobicContact CG2-CD1 4.19Å; I44-L48 HydrophobicContact CG2-CG 4.44Å; I44-L48 WeakPolarHBondContact O-CG 3.34Å; I44-L48 PolarHBondContact O-N 2.93Å
45T92.8Very high91.8Very high16 Ų1667.9 Ų67.910%0.09836%0.364CS..Hα-helixtrans-64.6-41178.2-56.20000111.1L8 V41 I42 Q43 L48 V49L8-T45 HydrophobicContact CB-CG2 4.22Å; L8-T45 HydrophobicContact CG-CG2 4.47Å; V41-T45 VanDerWaalsContact O-CB 3.28Å; V41-T45 WeakPolarHBondContact O-CB 3.23Å; V41-T45 PolarHBondContact O-N 3.33Å; V41-T45 PolarHBondContact O-OG1 3.48Å; I42-T45 PolarHBondContact O-N 3.34Å; Q43-T45 VanDerWaalsContact C-N 3.28Å; Q43-T45 PolarHBondContact O-N 3.12Å; T45-L48 PolarHBondContact O-N 2.93Å; T45-V49 WeakPolarHBondContact O-CB 3.48Å; T45-V49 VanDerWaalsContact O-CG2 3.27Å; T45-V49 WeakPolarHBondContact O-CG2 3.27Å; T45-V49 PolarHBondContact O-N 3.28Å
46N93.4Very high90.7Very high63 Ų6367.6 Ų67.634%0.33737%0.372SS..Hα-helixtrans-62.2-43.2173.5-79.5-37.7000111.8L8 I42 Q43 I44 L48 V49 Q50L8-N46 VanDerWaalsContact CD1-OD1 3.27Å; L8-N46 WeakPolarHBondContact CD1-OD1 3.26Å; I42-N46 WeakPolarHBondContact O-CB 3.46Å; I42-N46 PolarHBondContact O-N 2.91Å; I42-N46 PolarHBondContact O-ND2 2.89Å; Q43-N46 WeakPolarHBondContact O-CB 3.49Å; Q43-N46 PolarHBondContact O-N 3.23Å; Q43-N46 VanDerWaalsContact O-N 3.16Å; I44-N46 VanDerWaalsContact C-N 3.35Å; I44-N46 PolarHBondContact O-N 3.33Å; N46-L48 VanDerWaalsContact C-N 3.34Å; N46-L48 PolarHBondContact O-N 2.85Å; N46-V49 PolarHBondContact O-N 3.22Å; N46-Q50 WeakPolarHBondContact O-CB 3.43Å; N46-Q50 VanDerWaalsContact O-CG 3.29Å; N46-Q50 WeakPolarHBondContact O-CG 3.25Å; N46-Q50 PolarHBondContact O-N 2.89Å
47E93.8Very high89.3Confident100 Ų10071.7 Ų71.747%0.46738%0.382SS..Hα-helixtrans-61.9-41.3175.1-71.8175-163.700111.4Q43 I44 Q50 A51Q43-E47 PolarHBondContact NE2-OE1 2.81Å; Q43-E47 WeakPolarHBondContact O-CG 3.42Å; Q43-E47 PolarHBondContact O-N 3.47Å; I44-E47 PolarHBondContact O-N 3.22Å; E47-Q50 PolarHBondContact O-N 2.95Å; E47-A51 VanDerWaalsContact O-CB 3.24Å; E47-A51 WeakPolarHBondContact O-CB 3.46Å; E47-A51 PolarHBondContact O-N 2.9Å
48L92Very high87.8Confident90 Ų9071.5 Ų71.547%0.47139%0.393SS..Hα-helixtrans-66.8-38174.7-71.8174.5000112.5L4 I44 T45 N46 N52L4-L48 HydrophobicContact CD2-CB 3.81Å; I44-L48 HydrophobicContact CG2-CD1 4.19Å; I44-L48 HydrophobicContact CG2-CG 4.44Å; I44-L48 WeakPolarHBondContact O-CG 3.34Å; I44-L48 PolarHBondContact O-N 2.93Å; T45-L48 PolarHBondContact O-N 2.93Å; N46-L48 VanDerWaalsContact C-N 3.34Å; N46-L48 PolarHBondContact O-N 2.85Å; L48-N52 VanDerWaalsContact O-CB 3.3Å; L48-N52 WeakPolarHBondContact O-CB 3.35Å; L48-N52 VanDerWaalsContact O-CG 3.23Å; L48-N52 PolarHBondContact O-N 3.32Å; L48-N52 PolarHBondContact O-ND2 2.91Å
49V91.3Very high85.7Confident12 Ų1274.6 Ų74.67%0.07342%0.421CS..Hα-helixtrans-65.2-47.2174.4169.20000109.9L4 T45 N46 A51 N52 I53L4-V49 HydrophobicContact CB-CG2 3.83Å; L4-V49 HydrophobicContact CD2-CG2 3.97Å; T45-V49 WeakPolarHBondContact O-CB 3.48Å; T45-V49 VanDerWaalsContact O-CG2 3.27Å; T45-V49 WeakPolarHBondContact O-CG2 3.27Å; T45-V49 PolarHBondContact O-N 3.28Å; N46-V49 PolarHBondContact O-N 3.22Å; V49-A51 PolarHBondContact O-N 3.35Å; V49-N52 PolarHBondContact O-N 2.91Å; V49-I53 HydrophobicContact CG1-CD1 3.82Å; V49-I53 HydrophobicContact CG1-CG1 4.48Å; V49-I53 VanDerWaalsContact O-CG1 3.29Å; V49-I53 WeakPolarHBondContact O-CG1 3.43Å; V49-I53 PolarHBondContact O-N 2.85Å
50Q89.5Confident83.1Confident120 Ų12071.6 Ų71.656%0.56142%0.415SS*.Hα-helixtrans-60.6-44.9175.5-73.6179.39.200111.7N46 E47 N52 I53 I54N46-Q50 WeakPolarHBondContact O-CB 3.43Å; N46-Q50 VanDerWaalsContact O-CG 3.29Å; N46-Q50 WeakPolarHBondContact O-CG 3.25Å; N46-Q50 PolarHBondContact O-N 2.89Å; E47-Q50 PolarHBondContact O-N 2.95Å; Q50-N52 VanDerWaalsContact C-N 3.32Å; Q50-N52 PolarHBondContact O-N 3.4Å; Q50-I53 PolarHBondContact O-N 2.98Å; Q50-I54 WeakPolarHBondContact O-CB 3.25Å; Q50-I54 VanDerWaalsContact O-CG1 3.26Å; Q50-I54 WeakPolarHBondContact O-CG1 3.22Å; Q50-I54 PolarHBondContact O-N 2.96Å
51A88.5Confident80.7Confident51 Ų5171.8 Ų71.842%0.42143%0.426SS..Hα-helixtrans-62.4-38.9176.400000111.9E47 V49 A55E47-A51 VanDerWaalsContact O-CB 3.24Å; E47-A51 WeakPolarHBondContact O-CB 3.46Å; E47-A51 PolarHBondContact O-N 2.9Å; V49-A51 PolarHBondContact O-N 3.35Å; A51-A55 WeakPolarHBondContact O-CB 3.41Å; A51-A55 PolarHBondContact O-N 3.11Å
52N85Confident78.7Confident67 Ų6774.2 Ų74.236%0.35844%0.443SS..Hα-helixtrans-68.9-36.6174.9-78.4-40.7000112.6M1 L48 V49 Q50 A55 A56M1-N52 HydrophobicContact CG-CB 4.16Å; M1-N52 HydrophobicContact SD-CB 4.29Å; L48-N52 VanDerWaalsContact O-CB 3.3Å; L48-N52 WeakPolarHBondContact O-CB 3.35Å; L48-N52 VanDerWaalsContact O-CG 3.23Å; L48-N52 PolarHBondContact O-N 3.32Å; L48-N52 PolarHBondContact O-ND2 2.91Å; V49-N52 PolarHBondContact O-N 2.91Å; Q50-N52 VanDerWaalsContact C-N 3.32Å; Q50-N52 PolarHBondContact O-N 3.4Å; N52-A55 PolarHBondContact O-N 2.84Å; N52-A56 VanDerWaalsContact O-CB 3.3Å; N52-A56 WeakPolarHBondContact O-CB 3.36Å; N52-A56 PolarHBondContact O-N 3.43Å
53I84.7Confident75.9Confident68 Ų6880.9 Ų80.935%0.34947%0.474SS..Hα-helixtrans-65.5-49.5173.5-68.7165.2000109.5V49 Q50 A55 A56 E57V49-I53 HydrophobicContact CG1-CD1 3.82Å; V49-I53 HydrophobicContact CG1-CG1 4.48Å; V49-I53 VanDerWaalsContact O-CG1 3.29Å; V49-I53 WeakPolarHBondContact O-CG1 3.43Å; V49-I53 PolarHBondContact O-N 2.85Å; Q50-I53 PolarHBondContact O-N 2.98Å; I53-A55 VanDerWaalsContact C-N 3.28Å; I53-A55 PolarHBondContact O-N 3.22Å; I53-A56 CarbonylContact O-C 3.49Å; I53-A56 WeakPolarHBondContact O-CA 3.02Å; I53-A56 WeakPolarHBondContact O-CB 3.38Å; I53-A56 PolarHBondContact O-N 2.96Å; I53-E57 HydrophobicContact CG2-CG 4.28Å; I53-E57 WeakPolarHBondContact O-CB 3.2Å; I53-E57 WeakPolarHBondContact O-CG 3.04Å; I53-E57 PolarHBondContact O-N 3.37Å
54I82.5Confident73.7Confident107 Ų10780.4 Ų80.455%0.54949%0.489SS..Hα-helixtrans-59.8-40176.3-66.9165.1000110.6Q50 A56 E57 A58Q50-I54 WeakPolarHBondContact O-CB 3.25Å; Q50-I54 VanDerWaalsContact O-CG1 3.26Å; Q50-I54 WeakPolarHBondContact O-CG1 3.22Å; Q50-I54 PolarHBondContact O-N 2.96Å; I54-A56 VanDerWaalsContact C-N 3.34Å; I54-E57 PolarHBondContact O-N 3.2Å; I54-A58 WeakPolarHBondContact O-CB 3.25Å; I54-A58 PolarHBondContact O-N 2.98Å
55A78Confident71.3Confident54 Ų5483.1 Ų83.145%0.44650%0.504SS..Hα-helixtrans-66.1-36.417500000112.1A51 N52 I53 A59A51-A55 WeakPolarHBondContact O-CB 3.41Å; A51-A55 PolarHBondContact O-N 3.11Å; N52-A55 PolarHBondContact O-N 2.84Å; I53-A55 VanDerWaalsContact C-N 3.28Å; I53-A55 PolarHBondContact O-N 3.22Å; A55-A59 WeakPolarHBondContact O-CB 2.96Å; A55-A59 PolarHBondContact O-N 3.11Å
56A71.5Confident68.9Low49 Ų4987.2 Ų87.241%0.40553%0.531SS..Hα-helixtrans-72.2-31173.900000112.7M1 N52 I53 I54 A59M1-A56 HydrophobicContact CE-CB 4.43Å; N52-A56 VanDerWaalsContact O-CB 3.3Å; N52-A56 WeakPolarHBondContact O-CB 3.36Å; N52-A56 PolarHBondContact O-N 3.43Å; I53-A56 CarbonylContact O-C 3.49Å; I53-A56 WeakPolarHBondContact O-CA 3.02Å; I53-A56 WeakPolarHBondContact O-CB 3.38Å; I53-A56 PolarHBondContact O-N 2.96Å; I54-A56 VanDerWaalsContact C-N 3.34Å; A56-A59 CarbonylContact O-C 3.27Å; A56-A59 VanDerWaalsContact O-C 3.27Å
57E66.2Low66.7Low136 Ų13691.2 Ų91.264%0.63655%0.552SS**Hα-helixtrans-79.7-34.7175.1-71.8179.6164.400112.2I53 I54 G60I53-E57 HydrophobicContact CG2-CG 4.28Å; I53-E57 WeakPolarHBondContact O-CB 3.2Å; I53-E57 WeakPolarHBondContact O-CG 3.04Å; I53-E57 PolarHBondContact O-N 3.37Å; I54-E57 PolarHBondContact O-N 3.2Å; E57-G60 WeakPolarHBondContact O-CA 3.31Å; E57-G60 PolarHBondContact O-N 3.08Å
58A63.5Low64.7Low87 Ų8792.8 Ų92.872%0.71956%0.564SS**Hα-helixtrans-71.6-34172.200000111.3I54 G60I54-A58 WeakPolarHBondContact O-CB 3.25Å; I54-A58 PolarHBondContact O-N 2.98Å; A58-G60 PolarHBondContact O-N 3.15Å
59A52.3Low63Low78 Ų7892.9 Ų92.965%0.64557%0.57SS**SBendtrans-80.554.4160.800000109.9A55 A56A55-A59 WeakPolarHBondContact O-CB 2.96Å; A55-A59 PolarHBondContact O-N 3.11Å; A56-A59 CarbonylContact O-C 3.27Å; A56-A59 VanDerWaalsContact O-C 3.27Å
60G41.3Very low61.4Low29 Ų29101.2 Ų101.230%0.29961%0.605SS.*  trans-43.4162.1-168.200000115.2E57 A58E57-G60 WeakPolarHBondContact O-CA 3.31Å; E57-G60 PolarHBondContact O-N 3.08Å; A58-G60 PolarHBondContact O-N 3.15Å
61P47.5Very low60Low118 Ų11898 Ų9877%0.76659%0.594SS**SBendtrans-47.7122.3-175.421.5-31.8000107.2E63P61-E63 VanDerWaalsContact C-N 3.31Å; P61-E63 PolarHBondContact O-N 2.78Å
62P52.4Low59Low107 Ų107100.3 Ų100.370%0.69560%0.603SS**  trans-50.7106.3-163.916-29.1000106.7A64P62-A64 PolarHBondContact O-N 3.04Å; P62-A64 VanDerWaalsContact O-N 3.09Å
63E37.9Very low58.4Low156 Ų156101.3 Ų101.373%0.72960%0.604SS**  trans-43.5125.6160.9-75.7-177.4141.600103.3P61 L65P61-E63 VanDerWaalsContact C-N 3.31Å; P61-E63 PolarHBondContact O-N 2.78Å; E63-L65 HydrophobicContact CB-CD1 4.16Å; E63-L65 HydrophobicContact CB-CG 3.87Å; E63-L65 PolarHBondContact O-N 3.13Å
64A47.7Very low58.3Low105 Ų105106.6 Ų106.687%0.86863%0.628SS**  trans-5590.6171.400000106.7P62P62-A64 PolarHBondContact O-N 3.04Å; P62-A64 VanDerWaalsContact O-N 3.09Å
65L44.9Very low58.5Low132 Ų132102.5 Ų102.569%0.69161%0.605SS**  trans-118.7139177.4-71.2-179.4000106.3E63E63-L65 HydrophobicContact CB-CD1 4.16Å; E63-L65 HydrophobicContact CB-CG 3.87Å; E63-L65 PolarHBondContact O-N 3.13Å
66P43.4Very low59.1Low102 Ų102106 Ų10666%0.66261%0.61SS**  -97.2164.9-104.632-35000110.9
67D47.7Very low60Low147 Ų147108.1 Ų108.179%0.78662%0.618SS**SBendtrans40.6102.6161.7-77.5-30.3000114.9P69D67-P69 WeakPolarHBondContact O-CD 3.42Å
68D50.7Low61.1Low133 Ų133103.8 Ų103.871%0.71161%0.61SS**  trans-8.791158.6-70.6-85.6000112.4K70D68-K70 VanDerWaalsContact C-N 3.31Å; D68-K70 PolarHBondContact O-N 3.24Å
69P56.2Low62.3Low92 Ų92100.8 Ų100.860%0.59758%0.582SS**  trans-61.3111.6168.623.6-30.1000103.3D67D67-P69 WeakPolarHBondContact O-CD 3.42Å
70K57.6Low64.2Low188 Ų188103.3 Ų103.382%0.81758%0.575SS**  trans-38133.7-172.3-87.6168-179.4154.60109.2D68 V72D68-K70 VanDerWaalsContact C-N 3.31Å; D68-K70 PolarHBondContact O-N 3.24Å; K70-V72 PolarHBondContact O-N 3.46Å
71P61Low66.6Low51 Ų51101.9 Ų101.933%0.33156%0.56SS.*  trans-50.3136.3-178.925.6-35.9000108.6K73 L119P71-K73 WeakPolarHBondContact CB-O 3.45Å; P71-K73 PolarHBondContact O-N 2.98Å; P71-L119 HydrophobicContact CB-CD2 3.84Å; P71-L119 HydrophobicContact CB-CG 3.94Å; P71-L119 HydrophobicContact CG-CD2 4.03Å
72V66.6Low68.7Low100 Ų10098.8 Ų98.861%0.60654%0.536SS*.SBendtrans-51-24.1-177.8-176.90000111.3K70 I124K70-V72 PolarHBondContact O-N 3.46Å; V72-I124 HydrophobicContact CG1-CD1 4.5Å
73K72.3Confident70.6Confident88 Ų8893.7 Ų93.738%0.38350%0.503SS..SBendtrans-150.5149.6175.9-167.8174.6178-1760110.3P71 W75 I124P71-K73 WeakPolarHBondContact CB-O 3.45Å; P71-K73 PolarHBondContact O-N 2.98Å; K73-W75 PolarHBondContact O-N 3Å; K73-W75 VanDerWaalsContact O-N 3.16Å; K73-I124 HydrophobicContact CD-CD1 4.17Å; K73-I124 HydrophobicContact CD-CG1 4.11Å
74E83.5Confident73.2Confident179 Ų17987.9 Ų87.984%0.83648%0.477SS*.  trans-68.7105.5162.7-69.3171.9-168.800108.7
75W87Confident75.3Confident22 Ų2284.8 Ų84.88%0.08344%0.443CS..  trans-82.6141.7177.7-65103.4000110.4K73 D79 C81 I96 I99 L119 L122 R123 I124K73-W75 PolarHBondContact O-N 3Å; K73-W75 VanDerWaalsContact O-N 3.16Å; W75-D79 HydrophobicContact CE3-CB 4.04Å; W75-D79 HydrophobicContact CZ3-CB 4.4Å; W75-C81 HydrophobicContact CE3-CB 4.16Å; W75-C81 HydrophobicContact CH2-CB 3.44Å; W75-C81 VanDerWaalsContact CH2-CB 3.44Å; W75-C81 HydrophobicContact CZ2-CB 4.2Å; W75-C81 HydrophobicContact CZ3-CB 3.44Å; W75-C81 VanDerWaalsContact CZ3-CB 3.44Å; W75-I96 HydrophobicContact CB-CD1 3.6Å; W75-I96 HydrophobicContact CD2-CD1 3.65Å; W75-I96 HydrophobicContact CE3-CD1 3.45Å; W75-I96 VanDerWaalsContact CE3-CD1 3.45Å; W75-I96 HydrophobicContact CG-CD1 3.75Å; W75-I96 HydrophobicContact CZ3-CD1 4.29Å; W75-I99 VanDerWaalsContact C-CD1 3.45Å; W75-I99 HydrophobicContact CB-CD1 3.93Å; W75-I99 WeakPolarHBondContact O-CD1 3.43Å; W75-L119 HydrophobicContact CB-CD1 4.06Å; W75-L119 HydrophobicContact CG-CD1 3.94Å; W75-L122 HydrophobicContact CZ2-CB 3.71Å; W75-R123 WeakPolarHBondContact CH2-O 3.38Å; W75-I124 HydrophobicContact CH2-CG1 4.36Å
76K89.5Confident77.3Confident127 Ų12782.1 Ų82.155%0.55244%0.435SS*.  trans-115.9157.6168.358.6176.1179-58.30110.8G78 D79K76-G78 PolarHBondContact O-N 3.29Å; K76-D79 WeakPolarHBondContact CE-OD1 3.4Å; K76-D79 HydrophobicContact CG-CB 4.32Å; K76-D79 VanDerWaalsContact CG-OD1 3.31Å; K76-D79 WeakPolarHBondContact CG-OD1 3.19Å; K76-D79 VanDerWaalsContact CG-OD2 3.25Å; K76-D79 WeakPolarHBondContact CG-OD2 3.47Å; K76-D79 IonicContact NZ-OD1 3.62Å; K76-D79 PolarHBondContact NZ-OD1 3.45Å; K76-D79 IonicContact NZ-OD2 2.75Å; K76-D79 PolarHBondContact NZ-OD2 2.74Å; K76-D79 WeakPolarHBondContact O-CB 3.45Å; K76-D79 PolarHBondContact O-N 2.67Å; K76-D79 VanDerWaalsContact O-N 3.13Å
77V90.4Very high79.2Confident93 Ų9381.7 Ų81.756%0.56442%0.423SS*.THydrogen-bonded Turntrans-58.2131.2171.5179.20000109.1D97 I99V77-D97 VanDerWaalsContact CG1-O 3.22Å; V77-D97 WeakPolarHBondContact CG1-O 3.47Å; V77-I99 HydrophobicContact CG2-CG1 4.4Å
78G89.4Confident81.1Confident46 Ų4677.4 Ų77.447%0.47440%0.4SS..THydrogen-bonded Turntrans91.8-4.8-176.300000115.3K76 I96K76-G78 PolarHBondContact O-N 3.29Å; G78-I96 WeakPolarHBondContact CA-O 3.22Å; G78-I96 PolarHBondContact N-O 3.12Å
79D90.2Very high82.8Confident23 Ų2377 Ų7712%0.12340%0.398CS..  trans-71.4141.8176.7-86.1-2.4000112.7W75 K76 I96W75-D79 HydrophobicContact CE3-CB 4.04Å; W75-D79 HydrophobicContact CZ3-CB 4.4Å; K76-D79 WeakPolarHBondContact CE-OD1 3.4Å; K76-D79 HydrophobicContact CG-CB 4.32Å; K76-D79 VanDerWaalsContact CG-OD1 3.31Å; K76-D79 WeakPolarHBondContact CG-OD1 3.19Å; K76-D79 VanDerWaalsContact CG-OD2 3.25Å; K76-D79 WeakPolarHBondContact CG-OD2 3.47Å; K76-D79 IonicContact NZ-OD1 3.62Å; K76-D79 PolarHBondContact NZ-OD1 3.45Å; K76-D79 IonicContact NZ-OD2 2.75Å; K76-D79 PolarHBondContact NZ-OD2 2.74Å; K76-D79 WeakPolarHBondContact O-CB 3.45Å; K76-D79 PolarHBondContact O-N 2.67Å; K76-D79 VanDerWaalsContact O-N 3.13Å; D79-I96 HydrophobicContact CB-CD1 4.34Å; D79-I96 PolarHBondContact O-N 2.98Å
80R91.6Very high84.4Confident131 Ų13177.3 Ų77.349%0.49439%0.391SS..EExtended strand (participates in β ladder)trans-80.2131.7170.2-70.5-177.4-176.2165.8-0.5110.2V95 C125 D127R80-V95 HydrophobicContact CG-CG2 4.33Å; R80-C125 HydrophobicContact CB-CB 4.37Å; R80-D127 IonicContact NH1-OD1 2.62Å; R80-D127 PolarHBondContact NH1-OD1 2.99Å
81C90.9Very high85.9Confident0 Ų071.9 Ų71.90%037%0.371CS..EExtended strand (participates in β ladder)trans-143.7164.8-175.262.60000109.9W75 A94 I96 L122W75-C81 HydrophobicContact CE3-CB 4.16Å; W75-C81 HydrophobicContact CH2-CB 3.44Å; W75-C81 VanDerWaalsContact CH2-CB 3.44Å; W75-C81 HydrophobicContact CZ2-CB 4.2Å; W75-C81 HydrophobicContact CZ3-CB 3.44Å; W75-C81 VanDerWaalsContact CZ3-CB 3.44Å; C81-A94 PolarHBondContact N-O 3.25Å; C81-A94 PolarHBondContact O-N 3.27Å; C81-A94 PolarHBondContact SG-O 2.98Å; C81-I96 HydrophobicContact CB-CD1 4.36Å; C81-I96 HydrophobicContact CB-CG1 4.38Å; C81-I96 VanDerWaalsContact SG-CG1 3.58Å; C81-L122 HydrophobicContact CB-CD2 3.72Å; C81-L122 WeakPolarHBondContact SG-CD2 3.45Å
82M91.8Very high87.4Confident52 Ų5272 Ų7226%0.25637%0.365SS..EExtended strand (participates in β ladder)trans-105111.1169.6-68.3-67.8-66.300107.3L91 Y92 E93 R123 C125M82-L91 HydrophobicContact CB-CD2 4.2Å; M82-L91 HydrophobicContact CE-CB 4.14Å; M82-L91 WeakPolarHBondContact CE-O 3.44Å; M82-Y92 CarbonylContact C-O 3.38Å; M82-Y92 VanDerWaalsContact CA-O 3.31Å; M82-Y92 WeakPolarHBondContact CA-O 3.33Å; M82-E93 VanDerWaalsContact SD-CA 3.6Å; M82-E93 HydrophobicContact SD-CB 3.97Å; M82-R123 HydrophobicContact CB-CB 3.96Å; M82-R123 PolarHBondContact N-O 2.77Å; M82-R123 PolarHBondContact O-N 2.71Å; M82-C125 HydrophobicContact CG-CB 4.11Å
83A92.9Very high88.6Confident0 Ų068.8 Ų68.80%034%0.343CS..EExtended strand (participates in β ladder)trans-110.8154.3-178.200000110.9L91 Y92 A94 V106 F108 L122A83-L91 CarbonylContact O-C 3.47Å; A83-L91 VanDerWaalsContact O-CA 3.31Å; A83-L91 WeakPolarHBondContact O-CA 3.41Å; A83-Y92 PolarHBondContact N-O 3.48Å; A83-Y92 PolarHBondContact O-N 3.37Å; A83-A94 HydrophobicContact CB-CB 3.95Å; A83-V106 HydrophobicContact CB-CB 4.35Å; A83-V106 HydrophobicContact CB-CG1 4.45Å; A83-V106 HydrophobicContact CB-CG2 3.67Å; A83-F108 HydrophobicContact CB-CE1 3.91Å; A83-F108 HydrophobicContact CB-CZ 4.16Å; A83-L122 HydrophobicContact CB-CD2 4.21Å
84I92.1Very high89.6Confident34 Ų3464.6 Ų64.617%0.17433%0.325CS..EExtended strand (participates in β ladder)trans-82.3129.2178.5-65.7167000108.8N89 Q90 L91 F108 N117 L121I84-N89 HydrophobicContact CG2-CB 4.3Å; I84-Q90 WeakPolarHBondContact CA-O 3.03Å; I84-L91 HydrophobicContact CD1-CD1 4.36Å; I84-L91 HydrophobicContact CG1-CD1 3.68Å; I84-L91 HydrophobicContact CG1-CG 3.87Å; I84-F108 WeakPolarHBondContact O-CZ 3.28Å; I84-N117 PolarHBondContact O-ND2 2.89Å; I84-N117 PolarHBondContact O-OD1 2.86Å; I84-L121 HydrophobicContact CD1-CB 4.2Å; I84-L121 HydrophobicContact CD1-CD1 4.39Å; I84-L121 HydrophobicContact CD1-CD2 4.43Å
85W91.5Very high90Very high40 Ų4058.3 Ų58.315%0.15230%0.299CS..EExtended strand (participates in β ladder)trans-86.4127.4173.1-172.322.2000110.7K87 N88 N89 Q90 Y92 F108 Y111 E115W85-K87 HydrophobicContact CD2-CB 4.25Å; W85-K87 HydrophobicContact CH2-CD 4.42Å; W85-K87 HydrophobicContact CZ2-CB 4.37Å; W85-K87 HydrophobicContact CZ2-CD 4.39Å; W85-K87 PolarHBondContact O-N 2.85Å; W85-K87 VanDerWaalsContact O-N 3.1Å; W85-N88 PolarHBondContact O-N 2.54Å; W85-N89 WeakPolarHBondContact O-CA 3.39Å; W85-N89 PolarHBondContact O-N 2.94Å; W85-Q90 PolarHBondContact N-O 3.1Å; W85-Y92 HydrophobicContact CB-CD2 3.71Å; W85-Y92 HydrophobicContact CB-CE2 4.1Å; W85-Y92 HydrophobicContact CE3-CD2 4.18Å; W85-Y92 AromaticContact CE3-CE2 3.76Å; W85-Y92 HydrophobicContact CE3-CE2 3.76Å; W85-F108 HydrophobicContact CB-CE1 4.22Å; W85-F108 HydrophobicContact CB-CE2 4.31Å; W85-F108 HydrophobicContact CB-CZ 3.91Å; W85-F108 AromaticContact CD1-CE2 3.88Å; W85-F108 HydrophobicContact CG-CE2 4.29Å; W85-F108 HydrophobicContact CG-CZ 4.38Å; W85-Y111 HydrophobicContact CH2-CD1 4.28Å; W85-Y111 HydrophobicContact CH2-CE1 4.31Å; W85-Y111 HydrophobicContact CZ3-CD1 4.49Å; W85-Y111 HydrophobicContact CZ3-CE1 4.18Å; W85-E115 VanDerWaalsContact CD1-CD 3.48Å; W85-E115 PolarHBondContact NE1-OE1 2.62Å
86S87.5Confident90.3Very high76 Ų7657.3 Ų57.353%0.53130%0.295SS..THydrogen-bonded Turntrans-57.2-28.5-172.9-57.90000114.1E115S86-E115 VanDerWaalsContact CB-OE2 3.27Å; S86-E115 WeakPolarHBondContact CB-OE2 3.27Å; S86-E115 PolarHBondContact N-OE2 2.83Å; S86-E115 PolarHBondContact OG-OE2 2.69Å
87K82.5Confident90.5Very high94 Ų9456.5 Ų56.541%0.40930%0.297SS..THydrogen-bonded Turntrans-69.2-47.7-176.9-165.3179.8176.4170.50113.3D3 W85D3-K87 WeakPolarHBondContact OD1-CE 3.31Å; W85-K87 HydrophobicContact CD2-CB 4.25Å; W85-K87 HydrophobicContact CH2-CD 4.42Å; W85-K87 HydrophobicContact CZ2-CB 4.37Å; W85-K87 HydrophobicContact CZ2-CD 4.39Å; W85-K87 PolarHBondContact O-N 2.85Å; W85-K87 VanDerWaalsContact O-N 3.1Å
88N87.8Confident90.5Very high57 Ų5753.3 Ų53.331%0.30528%0.283SS..THydrogen-bonded Turntrans-114.5-3.8-170.9-62.34.8000113.1D3 W85 Q90D3-N88 PolarHBondContact OD2-OD1 3.26Å; W85-N88 PolarHBondContact O-N 2.54Å; N88-Q90 HydrophobicContact CB-CB 4.24Å; N88-Q90 HydrophobicContact CB-CG 4.1Å; N88-Q90 PolarHBondContact O-N 3.13Å; N88-Q90 VanDerWaalsContact O-N 3.08Å
89N86.3Confident90.6Very high125 Ų12554.3 Ų54.367%0.66828%0.276SS*.THydrogen-bonded Turntrans51.925.6-168.9-70.3-29.6000114I84 W85I84-N89 HydrophobicContact CG2-CB 4.3Å; W85-N89 WeakPolarHBondContact O-CA 3.39Å; W85-N89 PolarHBondContact O-N 2.94Å
90Q89.9Confident90.5Very high98 Ų9857.2 Ų57.246%0.45830%0.299SS..EExtended strand (participates in β ladder)trans-95.1148178-77.2177.3-10.500110.5I84 W85 N88 Y92I84-Q90 WeakPolarHBondContact CA-O 3.03Å; W85-Q90 PolarHBondContact N-O 3.1Å; N88-Q90 HydrophobicContact CB-CB 4.24Å; N88-Q90 HydrophobicContact CB-CG 4.1Å; N88-Q90 PolarHBondContact O-N 3.13Å; N88-Q90 VanDerWaalsContact O-N 3.08Å; Q90-Y92 HydrophobicContact CB-CD2 4.19Å; Q90-Y92 HydrophobicContact CB-CE2 3.5Å; Q90-Y92 WeakPolarHBondContact O-CD2 3.35Å; Q90-Y92 PolarHBondContact OE1-OH 2.78Å
91L90.2Very high89.9Confident74 Ų7460.6 Ų60.639%0.38732%0.32SS..EExtended strand (participates in β ladder)trans-83.3123.3177.4-80.280.9000110.6M82 A83 I84 R123M82-L91 HydrophobicContact CB-CD2 4.2Å; M82-L91 HydrophobicContact CE-CB 4.14Å; M82-L91 WeakPolarHBondContact CE-O 3.44Å; A83-L91 CarbonylContact O-C 3.47Å; A83-L91 VanDerWaalsContact O-CA 3.31Å; A83-L91 WeakPolarHBondContact O-CA 3.41Å; I84-L91 HydrophobicContact CD1-CD1 4.36Å; I84-L91 HydrophobicContact CG1-CD1 3.68Å; I84-L91 HydrophobicContact CG1-CG 3.87Å; L91-R123 HydrophobicContact CD2-CB 3.93Å; L91-R123 HydrophobicContact CD2-CG 3.38Å
92Y91.9Very high89.5Confident54 Ų5461.9 Ų61.921%0.21233%0.333CS..EExtended strand (participates in β ladder)trans-122.9156.3176.4-70.8-84.9000110.8M82 A83 W85 Q90 A94 Y111M82-Y92 CarbonylContact C-O 3.38Å; M82-Y92 VanDerWaalsContact CA-O 3.31Å; M82-Y92 WeakPolarHBondContact CA-O 3.33Å; A83-Y92 PolarHBondContact N-O 3.48Å; A83-Y92 PolarHBondContact O-N 3.37Å; W85-Y92 HydrophobicContact CB-CD2 3.71Å; W85-Y92 HydrophobicContact CB-CE2 4.1Å; W85-Y92 HydrophobicContact CE3-CD2 4.18Å; W85-Y92 AromaticContact CE3-CE2 3.76Å; W85-Y92 HydrophobicContact CE3-CE2 3.76Å; Q90-Y92 HydrophobicContact CB-CD2 4.19Å; Q90-Y92 HydrophobicContact CB-CE2 3.5Å; Q90-Y92 WeakPolarHBondContact O-CD2 3.35Å; Q90-Y92 PolarHBondContact OE1-OH 2.78Å; Y92-A94 PolarHBondContact O-N 2.86Å; Y92-Y111 HydrophobicContact CD1-CE2 4Å; Y92-Y111 HydrophobicContact CE1-CE2 4.17Å
93E91.3Very high89.5Confident31 Ų3164.7 Ų64.715%0.14534%0.344CS..EExtended strand (participates in β ladder)trans-67.6127.4174.6-172.8-176.3164.800109.9M82 V109 K131M82-E93 VanDerWaalsContact SD-CA 3.6Å; M82-E93 HydrophobicContact SD-CB 3.97Å; E93-V109 HydrophobicContact CB-CB 4.45Å; E93-V109 HydrophobicContact CG-CB 4.31Å; E93-V109 HydrophobicContact CG-CG2 3.96Å; E93-V109 PolarHBondContact O-N 3.35Å; E93-K131 WeakPolarHBondContact OE2-CE 3.16Å; E93-K131 IonicContact OE2-NZ 3.31Å; E93-K131 PolarHBondContact OE2-NZ 3.37Å
94A93.2Very high89.4Confident0 Ų064.7 Ų64.70%034%0.344CS..EExtended strand (participates in β ladder)trans-138.4156.4179.100000111C81 A83 Y92 V106 T107 F108C81-A94 PolarHBondContact N-O 3.25Å; C81-A94 PolarHBondContact O-N 3.27Å; C81-A94 PolarHBondContact SG-O 2.98Å; A83-A94 HydrophobicContact CB-CB 3.95Å; Y92-A94 PolarHBondContact O-N 2.86Å; A94-V106 HydrophobicContact CB-CB 3.88Å; A94-V106 HydrophobicContact CB-CG2 4.2Å; A94-T107 CarbonylContact C-O 3.5Å; A94-T107 WeakPolarHBondContact CA-O 3.41Å; A94-T107 WeakPolarHBondContact CB-O 3.3Å; A94-F108 HydrophobicContact CB-CD1 3.8Å; A94-F108 HydrophobicContact CB-CE1 4.09Å; A94-F108 HydrophobicContact CB-CG 4.38Å
95V93Very high89.4Confident48 Ų4864.8 Ų64.829%0.29135%0.35SS..EExtended strand (participates in β ladder)trans-108.3131173.3-178.70000108.2R80 D97 V106 T107 V109R80-V95 HydrophobicContact CG-CG2 4.33Å; V95-D97 PolarHBondContact O-N 3.32Å; V95-V106 CarbonylContact O-C 3.59Å; V95-V106 WeakPolarHBondContact O-CA 3.34Å; V95-T107 PolarHBondContact N-O 2.95Å; V95-T107 PolarHBondContact O-N 2.86Å; V95-V109 HydrophobicContact CG2-CG2 3.88Å
96I93.1Very high89.5Confident1 Ų162.9 Ų62.91%0.00534%0.342CS..EExtended strand (participates in β ladder)trans-71.9117.8177.2-59.3178.6000109W75 G78 D79 C81 I99 A104 V106 L122W75-I96 HydrophobicContact CB-CD1 3.6Å; W75-I96 HydrophobicContact CD2-CD1 3.65Å; W75-I96 HydrophobicContact CE3-CD1 3.45Å; W75-I96 VanDerWaalsContact CE3-CD1 3.45Å; W75-I96 HydrophobicContact CG-CD1 3.75Å; W75-I96 HydrophobicContact CZ3-CD1 4.29Å; G78-I96 WeakPolarHBondContact CA-O 3.22Å; G78-I96 PolarHBondContact N-O 3.12Å; D79-I96 HydrophobicContact CB-CD1 4.34Å; D79-I96 PolarHBondContact O-N 2.98Å; C81-I96 HydrophobicContact CB-CD1 4.36Å; C81-I96 HydrophobicContact CB-CG1 4.38Å; C81-I96 VanDerWaalsContact SG-CG1 3.58Å; I96-I99 HydrophobicContact CG2-CD1 4.03Å; I96-I99 HydrophobicContact CG2-CG1 3.53Å; I96-A104 HydrophobicContact CG2-CB 4.32Å; I96-V106 HydrophobicContact CG1-CG1 4.03Å; I96-L122 HydrophobicContact CD1-CD2 4.35Å; I96-L122 HydrophobicContact CG1-CD2 4.41Å
97D92.7Very high89.8Confident109 Ų10961 Ų6158%0.58333%0.328SS*.EExtended strand (participates in β ladder)trans-93.8-34.1179.8-165.735.3000111.5V77 V95 A105V77-D97 VanDerWaalsContact CG1-O 3.22Å; V77-D97 WeakPolarHBondContact CG1-O 3.47Å; V95-D97 PolarHBondContact O-N 3.32Å; D97-A105 PolarHBondContact N-O 2.84Å
98G90.9Very high90.4Very high26 Ų2656.6 Ų56.627%0.26831%0.309SS..EExtended strand (participates in β ladder)trans-157.1146.9176.900000112A104 A105G98-A104 CarbonylContact O-C 3.53Å; G98-A104 WeakPolarHBondContact O-CA 3.42Å; G98-A105 PolarHBondContact N-O 3.25Å; G98-A105 PolarHBondContact O-N 3.14Å
99I91.7Very high90.5Very high67 Ų6757 Ų5734%0.34431%0.313SS..EExtended strand (participates in β ladder)trans-116.8127.8178.2-56.9170.9000108W75 V77 I96 L119W75-I99 VanDerWaalsContact C-CD1 3.45Å; W75-I99 HydrophobicContact CB-CD1 3.93Å; W75-I99 WeakPolarHBondContact O-CD1 3.43Å; V77-I99 HydrophobicContact CG2-CG1 4.4Å; I96-I99 HydrophobicContact CG2-CD1 4.03Å; I96-I99 HydrophobicContact CG2-CG1 3.53Å; I99-L119 HydrophobicContact CG2-CD1 4.5Å
100S87.3Confident90.6Very high84 Ų8454.3 Ų54.359%0.58732%0.315SS*.EExtended strand (participates in β ladder)trans-116.1166.5172.2-174.50000108.8G102 K103S100-G102 VanDerWaalsContact C-N 3.31Å; S100-G102 PolarHBondContact O-N 3.48Å; S100-K103 CarbonylContact C-O 3.56Å; S100-K103 WeakPolarHBondContact CA-O 3.46Å; S100-K103 WeakPolarHBondContact CB-O 3.28Å; S100-K103 PolarHBondContact N-O 2.88Å; S100-K103 PolarHBondContact O-N 2.82Å; S100-K103 VanDerWaalsContact O-N 3.12Å
101E79.6Confident90.4Very high203 Ų20355.1 Ų55.195%0.94932%0.315SS*.THydrogen-bonded Turntrans-59.882.8-173.7-63.9176.5176.600112
102G83.2Confident90.3Very high26 Ų2658.3 Ų58.327%0.26833%0.333SS..THydrogen-bonded Turntrans101-8.1-179.600000116.2S100 L119S100-G102 VanDerWaalsContact C-N 3.31Å; S100-G102 PolarHBondContact O-N 3.48Å; G102-L119 WeakPolarHBondContact O-CB 3.38Å; G102-L119 PolarHBondContact O-N 3.26Å
103K90Very high90.3Very high111 Ų11158.4 Ų58.448%0.48334%0.338SS..EExtended strand (participates in β ladder)trans-132.1140.8178.8-61179.2-171.8175.10111.1S100 I116 N117S100-K103 CarbonylContact C-O 3.56Å; S100-K103 WeakPolarHBondContact CA-O 3.46Å; S100-K103 WeakPolarHBondContact CB-O 3.28Å; S100-K103 PolarHBondContact N-O 2.88Å; S100-K103 PolarHBondContact O-N 2.82Å; S100-K103 VanDerWaalsContact O-N 3.12Å; K103-I116 HydrophobicContact CB-CG2 3.84Å; K103-I116 HydrophobicContact CD-CG2 3.91Å; K103-I116 HydrophobicContact CG-CG2 4.38Å; K103-N117 CarbonylContact C-O 3.49Å; K103-N117 VanDerWaalsContact CA-O 3.3Å; K103-N117 WeakPolarHBondContact CA-O 3.18Å
104A91.1Very high90.3Very high0 Ų061.3 Ų61.30%036%0.359CS..EExtended strand (participates in β ladder)trans-114.5130.8175.600000110.4I96 G98 V106 N117 L119 L122I96-A104 HydrophobicContact CG2-CB 4.32Å; G98-A104 CarbonylContact O-C 3.53Å; G98-A104 WeakPolarHBondContact O-CA 3.42Å; A104-V106 HydrophobicContact CB-CG1 4.24Å; A104-N117 PolarHBondContact N-O 2.94Å; A104-N117 PolarHBondContact O-N 3.38Å; A104-L119 HydrophobicContact CB-CD1 4.08Å; A104-L122 HydrophobicContact CB-CD1 4.13Å
105A93.4Very high90.3Very high36 Ų3663.1 Ų63.130%0.29837%0.367SS..EExtended strand (participates in β ladder)trans-77.9120.3165.600000108.2D97 G98D97-A105 PolarHBondContact N-O 2.84Å; G98-A105 PolarHBondContact N-O 3.25Å; G98-A105 PolarHBondContact O-N 3.14Å
106V93.8Very high90.3Very high0 Ų066.9 Ų66.90%038%0.384CS..EExtended strand (participates in β ladder)trans-123.3139.9-176.2-63.20000111A83 A94 V95 I96 A104 F108 T114 E115 N117 L122A83-V106 HydrophobicContact CB-CB 4.35Å; A83-V106 HydrophobicContact CB-CG1 4.45Å; A83-V106 HydrophobicContact CB-CG2 3.67Å; A94-V106 HydrophobicContact CB-CB 3.88Å; A94-V106 HydrophobicContact CB-CG2 4.2Å; V95-V106 CarbonylContact O-C 3.59Å; V95-V106 WeakPolarHBondContact O-CA 3.34Å; I96-V106 HydrophobicContact CG1-CG1 4.03Å; A104-V106 HydrophobicContact CB-CG1 4.24Å; V106-F108 HydrophobicContact CG2-CZ 4.38Å; V106-T114 WeakPolarHBondContact O-CA 3.43Å; V106-E115 WeakPolarHBondContact CG2-O 3.31Å; V106-E115 PolarHBondContact N-O 3.37Å; V106-E115 PolarHBondContact O-N 2.82Å; V106-N117 HydrophobicContact CG2-CB 4.17Å; V106-L122 HydrophobicContact CG1-CD2 3.78Å
107T93.9Very high90.2Very high37 Ų3767.4 Ų67.423%0.22739%0.387CS..EExtended strand (participates in β ladder)trans-105118.2176.6-51.40000109.6A94 V95 V109 V113 T114A94-T107 CarbonylContact C-O 3.5Å; A94-T107 WeakPolarHBondContact CA-O 3.41Å; A94-T107 WeakPolarHBondContact CB-O 3.3Å; V95-T107 PolarHBondContact N-O 2.95Å; V95-T107 PolarHBondContact O-N 2.86Å; T107-V109 PolarHBondContact O-N 3.24Å; T107-V113 WeakPolarHBondContact CA-O 3.5Å; T107-T114 HydrophobicContact CG2-CG2 4.14Å
108F94.1Very high90.1Very high1 Ų167.7 Ų67.70%0.00438%0.38CS..EExtended strand (participates in β ladder)trans-72.6126.7-179.5-68.7-75.7000112.3A83 I84 W85 A94 V106 G110 Y111 N112 V113 E115A83-F108 HydrophobicContact CB-CE1 3.91Å; A83-F108 HydrophobicContact CB-CZ 4.16Å; I84-F108 WeakPolarHBondContact O-CZ 3.28Å; W85-F108 HydrophobicContact CB-CE1 4.22Å; W85-F108 HydrophobicContact CB-CE2 4.31Å; W85-F108 HydrophobicContact CB-CZ 3.91Å; W85-F108 AromaticContact CD1-CE2 3.88Å; W85-F108 HydrophobicContact CG-CE2 4.29Å; W85-F108 HydrophobicContact CG-CZ 4.38Å; A94-F108 HydrophobicContact CB-CD1 3.8Å; A94-F108 HydrophobicContact CB-CE1 4.09Å; A94-F108 HydrophobicContact CB-CG 4.38Å; V106-F108 HydrophobicContact CG2-CZ 4.38Å; F108-G110 PolarHBondContact O-N 2.88Å; F108-Y111 HydrophobicContact CB-CD2 4.26Å; F108-Y111 PolarHBondContact O-N 2.84Å; F108-N112 PolarHBondContact O-N 2.81Å; F108-N112 VanDerWaalsContact O-N 3.14Å; F108-V113 WeakPolarHBondContact CD2-O 3.47Å; F108-V113 PolarHBondContact N-O 3.16Å; F108-E115 HydrophobicContact CE2-CB 4.02Å; F108-E115 HydrophobicContact CE2-CG 4.09Å
109V90.1Very high90Very high65 Ų6567.8 Ų67.839%0.39437%0.374SS..THydrogen-bonded Turntrans-69.9116.1-178.1-178.20000109.6E93 V95 T107E93-V109 HydrophobicContact CB-CB 4.45Å; E93-V109 HydrophobicContact CG-CB 4.31Å; E93-V109 HydrophobicContact CG-CG2 3.96Å; E93-V109 PolarHBondContact O-N 3.35Å; V95-V109 HydrophobicContact CG2-CG2 3.88Å; T107-V109 PolarHBondContact O-N 3.24Å
110G87.8Confident89.7Confident70 Ų7068.6 Ų68.672%0.72237%0.374SS*.THydrogen-bonded Turntrans99.3-22.2178.500000115F108F108-G110 PolarHBondContact O-N 2.88Å
111Y86.8Confident89.7Confident115 Ų11567.2 Ų67.245%0.45136%0.359SS..THydrogen-bonded Turntrans-97.9-22.4174.1-61.5-80.4000112.7W85 Y92 F108 V113W85-Y111 HydrophobicContact CH2-CD1 4.28Å; W85-Y111 HydrophobicContact CH2-CE1 4.31Å; W85-Y111 HydrophobicContact CZ3-CD1 4.49Å; W85-Y111 HydrophobicContact CZ3-CE1 4.18Å; Y92-Y111 HydrophobicContact CD1-CE2 4Å; Y92-Y111 HydrophobicContact CE1-CE2 4.17Å; F108-Y111 HydrophobicContact CB-CD2 4.26Å; F108-Y111 PolarHBondContact O-N 2.84Å; Y111-V113 PolarHBondContact O-N 3.33Å
112N87Confident90.1Very high141 Ų14157.6 Ų57.675%0.75431%0.314SS*.  trans5530.5-175.3-58.5-30000113.3F108F108-N112 PolarHBondContact O-N 2.81Å; F108-N112 VanDerWaalsContact O-N 3.14Å
113V91.9Very high90.4Very high55 Ų5562.4 Ų62.433%0.33332%0.324SS..  trans-101.4132.4176.3-179.70000108.3T107 F108 Y111 E115T107-V113 WeakPolarHBondContact CA-O 3.5Å; F108-V113 WeakPolarHBondContact CD2-O 3.47Å; F108-V113 PolarHBondContact N-O 3.16Å; Y111-V113 PolarHBondContact O-N 3.33Å; V113-E115 HydrophobicContact CG1-CG 4.06Å
114T92.1Very high90.2Very high93 Ų9360.6 Ų60.657%0.57132%0.319SS*.EExtended strand (participates in β ladder)trans-100.9124175.5550000110V106 T107V106-T114 WeakPolarHBondContact O-CA 3.43Å; T107-T114 HydrophobicContact CG2-CG2 4.14Å
115E92.4Very high89.6Confident37 Ų3761.8 Ų61.817%0.17333%0.327CS..EExtended strand (participates in β ladder)trans-132.2153.9176-67.3-170.7-178.600111.7W85 S86 V106 F108 V113W85-E115 VanDerWaalsContact CD1-CD 3.48Å; W85-E115 PolarHBondContact NE1-OE1 2.62Å; S86-E115 VanDerWaalsContact CB-OE2 3.27Å; S86-E115 WeakPolarHBondContact CB-OE2 3.27Å; S86-E115 PolarHBondContact N-OE2 2.83Å; S86-E115 PolarHBondContact OG-OE2 2.69Å; V106-E115 WeakPolarHBondContact CG2-O 3.31Å; V106-E115 PolarHBondContact N-O 3.37Å; V106-E115 PolarHBondContact O-N 2.82Å; F108-E115 HydrophobicContact CE2-CB 4.02Å; F108-E115 HydrophobicContact CE2-CG 4.09Å; V113-E115 HydrophobicContact CG1-CG 4.06Å
116I93.3Very high88.7Confident127 Ų12766.2 Ų66.265%0.65135%0.346SS*.EExtended strand (participates in β ladder)trans-91.9111.8176.9-59173.2000108.3K103K103-I116 HydrophobicContact CB-CG2 3.84Å; K103-I116 HydrophobicContact CD-CG2 3.91Å; K103-I116 HydrophobicContact CG-CG2 4.38Å
117N92.2Very high87Confident13 Ų1370.8 Ų70.87%0.0737%0.37CS..EExtended strand (participates in β ladder)trans-107.9154.3176.5-93.6-80.1000111.1I84 K103 A104 V106I84-N117 PolarHBondContact O-ND2 2.89Å; I84-N117 PolarHBondContact O-OD1 2.86Å; K103-N117 CarbonylContact C-O 3.49Å; K103-N117 VanDerWaalsContact CA-O 3.3Å; K103-N117 WeakPolarHBondContact CA-O 3.18Å; A104-N117 PolarHBondContact N-O 2.94Å; A104-N117 PolarHBondContact O-N 3.38Å; V106-N117 HydrophobicContact CG2-CB 4.17Å
118R90.3Very high85.2Confident115 Ų11574.1 Ų74.143%0.43439%0.39SS..EExtended strand (participates in β ladder)trans-80.5137.1176.6-58.2-178.5178.3-153.8-0.9110.1Y120 L121 L122R118-Y120 HydrophobicContact CB-CD1 3.86Å; R118-Y120 HydrophobicContact CB-CE1 3.46Å; R118-Y120 VanDerWaalsContact CB-CE1 3.46Å; R118-Y120 VanDerWaalsContact CD-CE1 3.44Å; R118-Y120 VanDerWaalsContact CD-CZ 3.41Å; R118-Y120 WeakPolarHBondContact CD-OH 3.36Å; R118-Y120 HydrophobicContact CG-CE1 4.06Å; R118-Y120 PolarHBondContact NH1-OH 2.8Å; R118-Y120 PolarHBondContact O-N 2.9Å; R118-Y120 VanDerWaalsContact O-N 3.15Å; R118-L121 HydrophobicContact CB-CD1 4.06Å; R118-L121 HydrophobicContact CB-CG 4.27Å; R118-L121 HydrophobicContact CG-CD1 4.39Å; R118-L121 PolarHBondContact O-N 3.12Å; R118-L122 VanDerWaalsContact O-CD1 3.28Å; R118-L122 WeakPolarHBondContact O-CD1 3.35Å
119L87.8Confident83.3Confident28 Ų2881.1 Ų81.115%0.14742%0.423CS..G310 helixtrans-58.2-35-169.7-16466.2000113.5P71 W75 I99 G102 A104 L121 L122P71-L119 HydrophobicContact CB-CD2 3.84Å; P71-L119 HydrophobicContact CB-CG 3.94Å; P71-L119 HydrophobicContact CG-CD2 4.03Å; W75-L119 HydrophobicContact CB-CD1 4.06Å; W75-L119 HydrophobicContact CG-CD1 3.94Å; I99-L119 HydrophobicContact CG2-CD1 4.5Å; G102-L119 WeakPolarHBondContact O-CB 3.38Å; G102-L119 PolarHBondContact O-N 3.26Å; A104-L119 HydrophobicContact CB-CD1 4.08Å; L119-L121 VanDerWaalsContact C-N 3.34Å; L119-L122 VanDerWaalsContact CA-CD1 3.45Å; L119-L122 HydrophobicContact CD1-CD1 4.18Å; L119-L122 WeakPolarHBondContact O-CD1 3.34Å
120Y85Confident81.6Confident84 Ų8483 Ų8333%0.32944%0.436SS..G310 helixtrans-76.3-16179.766.6-95.3000114.3R118R118-Y120 HydrophobicContact CB-CD1 3.86Å; R118-Y120 HydrophobicContact CB-CE1 3.46Å; R118-Y120 VanDerWaalsContact CB-CE1 3.46Å; R118-Y120 VanDerWaalsContact CD-CE1 3.44Å; R118-Y120 VanDerWaalsContact CD-CZ 3.41Å; R118-Y120 WeakPolarHBondContact CD-OH 3.36Å; R118-Y120 HydrophobicContact CG-CE1 4.06Å; R118-Y120 PolarHBondContact NH1-OH 2.8Å; R118-Y120 PolarHBondContact O-N 2.9Å; R118-Y120 VanDerWaalsContact O-N 3.15Å
121L88Confident80.2Confident54 Ų5485.5 Ų85.528%0.28343%0.427SS..G310 helixtrans-85.3-19.9177.6-67.9175.3000112.4I84 R118 L119 R123I84-L121 HydrophobicContact CD1-CB 4.2Å; I84-L121 HydrophobicContact CD1-CD1 4.39Å; I84-L121 HydrophobicContact CD1-CD2 4.43Å; R118-L121 HydrophobicContact CB-CD1 4.06Å; R118-L121 HydrophobicContact CB-CG 4.27Å; R118-L121 HydrophobicContact CG-CD1 4.39Å; R118-L121 PolarHBondContact O-N 3.12Å; L119-L121 VanDerWaalsContact C-N 3.34Å; L121-R123 PolarHBondContact O-NH1 3.15Å; L121-R123 VanDerWaalsContact O-NH1 3.17Å
122L88.8Confident78.7Confident1 Ų187.5 Ų87.51%0.00544%0.438CS..  trans-65.5136.1178.4-69.1111.6000111W75 C81 A83 I96 A104 V106 R118 L119W75-L122 HydrophobicContact CZ2-CB 3.71Å; C81-L122 HydrophobicContact CB-CD2 3.72Å; C81-L122 WeakPolarHBondContact SG-CD2 3.45Å; A83-L122 HydrophobicContact CB-CD2 4.21Å; I96-L122 HydrophobicContact CD1-CD2 4.35Å; I96-L122 HydrophobicContact CG1-CD2 4.41Å; A104-L122 HydrophobicContact CB-CD1 4.13Å; V106-L122 HydrophobicContact CG1-CD2 3.78Å; R118-L122 VanDerWaalsContact O-CD1 3.28Å; R118-L122 WeakPolarHBondContact O-CD1 3.35Å; L119-L122 VanDerWaalsContact CA-CD1 3.45Å; L119-L122 HydrophobicContact CD1-CD1 4.18Å; L119-L122 WeakPolarHBondContact O-CD1 3.34Å
123R88.5Confident77.4Confident128 Ų12886.6 Ų86.648%0.48343%0.425SS..EExtended strand (participates in β ladder)trans-105.2153173.5-63.7-67.4-167.5-82.5-0.3110W75 M82 L91 L121 C125W75-R123 WeakPolarHBondContact CH2-O 3.38Å; M82-R123 HydrophobicContact CB-CB 3.96Å; M82-R123 PolarHBondContact N-O 2.77Å; M82-R123 PolarHBondContact O-N 2.71Å; L91-R123 HydrophobicContact CD2-CB 3.93Å; L91-R123 HydrophobicContact CD2-CG 3.38Å; L121-R123 PolarHBondContact O-NH1 3.15Å; L121-R123 VanDerWaalsContact O-NH1 3.17Å; R123-C125 PolarHBondContact O-N 2.86Å
124I85.5Confident76Confident73 Ų7391.8 Ų91.837%0.37445%0.449SS..EExtended strand (participates in β ladder)trans-65.5125.2172.9-61.2170.4000107.8V72 K73 W75 D126V72-I124 HydrophobicContact CG1-CD1 4.5Å; K73-I124 HydrophobicContact CD-CD1 4.17Å; K73-I124 HydrophobicContact CD-CG1 4.11Å; W75-I124 HydrophobicContact CH2-CG1 4.36Å; I124-D126 PolarHBondContact O-N 2.95Å
125C79.1Confident74.6Confident24 Ų2496.5 Ų96.516%0.16246%0.457CS..  trans-77.8101.5163.8-1650000105.4R80 M82 R123 D127R80-C125 HydrophobicContact CB-CB 4.37Å; M82-C125 HydrophobicContact CG-CB 4.11Å; R123-C125 PolarHBondContact O-N 2.86Å; C125-D127 VanDerWaalsContact C-N 3.28Å; C125-D127 PolarHBondContact O-N 2.91Å
126D74.6Confident73.4Confident130 Ų13098.9 Ų98.970%0.69547%0.471SS*.  trans-63.696171-82.5-22.9000107.3I124 V128I124-D126 PolarHBondContact O-N 2.95Å; D126-V128 HydrophobicContact CB-CG2 4.01Å; D126-V128 PolarHBondContact O-N 2.63Å
127D58.1Low72Confident95 Ų9595.6 Ų95.651%0.50846%0.456SS..  trans-65.339.4170.5-85.7-50000110.9R80 C125 Q129R80-D127 IonicContact NH1-OD1 2.62Å; R80-D127 PolarHBondContact NH1-OD1 2.99Å; C125-D127 VanDerWaalsContact C-N 3.28Å; C125-D127 PolarHBondContact O-N 2.91Å; D127-Q129 PolarHBondContact O-N 3.08Å
128V56.8Low70.5Confident107 Ų107103.8 Ų103.865%0.64849%0.491SS*.SBendtrans-72.6-12.4-178.41730000111.7D126D126-V128 HydrophobicContact CB-CG2 4.01Å; D126-V128 PolarHBondContact O-N 2.63Å
129Q53.4Low68.9Low149 Ų149103.8 Ų103.870%0.69651%0.507SS*.SBendtrans-143.2122.9163.5-63.2-64-35.600109.5D127 K131D127-Q129 PolarHBondContact O-N 3.08Å; Q129-K131 PolarHBondContact O-N 3.1Å; Q129-K131 VanDerWaalsContact O-N 3.1Å
130P54.8Low67.1Low103 Ų103112.1 Ų112.167%0.66954%0.542SS*.  trans-51.6127.5159.623.7-31.6000106.2K132P130-K132 VanDerWaalsContact C-N 3.25Å; P130-K132 PolarHBondContact O-N 3.03Å
131K57.7Low65.8Low124 Ų124110 Ų11054%0.53955%0.546SS..  trans-52.897.5176.6-72.2-177.3-176.8174.60107.7E93 Q129 Y133E93-K131 WeakPolarHBondContact OE2-CE 3.16Å; E93-K131 IonicContact OE2-NZ 3.31Å; E93-K131 PolarHBondContact OE2-NZ 3.37Å; Q129-K131 PolarHBondContact O-N 3.1Å; Q129-K131 VanDerWaalsContact O-N 3.1Å; K131-Y133 VanDerWaalsContact C-N 3.35Å; K131-Y133 HydrophobicContact CB-CE2 4.41Å; K131-Y133 WeakPolarHBondContact O-CD2 2.96Å; K131-Y133 PolarHBondContact O-N 2.92Å
132K55Low64.8Low156 Ų156115.5 Ų115.568%0.67857%0.567SS**  trans-74.696.7179.8-178.5176.5178.9-178.70105.2P130 I134P130-K132 VanDerWaalsContact C-N 3.25Å; P130-K132 PolarHBondContact O-N 3.03Å; K132-I134 PolarHBondContact O-N 2.81Å
133Y60.8Low64.2Low123 Ų123120.9 Ų120.948%0.48260%0.596SS.*  trans-63.2140.2-179.6-65.7-91000109.1K131 W135 D136 T137K131-Y133 VanDerWaalsContact C-N 3.35Å; K131-Y133 HydrophobicContact CB-CE2 4.41Å; K131-Y133 WeakPolarHBondContact O-CD2 2.96Å; K131-Y133 PolarHBondContact O-N 2.92Å; Y133-W135 VanDerWaalsContact CB-NE1 3.28Å; Y133-W135 HydrophobicContact CD1-CZ2 4.44Å; Y133-W135 AromaticContact CD1-NE1 3.62Å; Y133-W135 HydrophobicContact CD2-CZ2 4.17Å; Y133-W135 AromaticContact CG-CE2 3.87Å; Y133-W135 AromaticContact CG-CZ2 3.99Å; Y133-W135 HydrophobicContact CG-CZ2 3.99Å; Y133-W135 AromaticContact CG-NE1 3.6Å; Y133-W135 PolarHBondContact O-N 3.37Å; Y133-D136 WeakPolarHBondContact CB-OD2 3.39Å; Y133-D136 WeakPolarHBondContact CD2-OD2 3.34Å; Y133-D136 PolarHBondContact O-N 3.17Å; Y133-T137 PolarHBondContact O-OG1 3.15Å
134I62.8Low63.5Low163 Ų163120.9 Ų120.984%0.83660%0.602SS**THydrogen-bonded Turntrans-51-31.1179-75.2162.5000111.5K132 T137K132-I134 PolarHBondContact O-N 2.81Å; I134-T137 PolarHBondContact O-OG1 2.93Å
135W62.7Low62.8Low193 Ų193124.9 Ų124.973%0.73161%0.612SS**THydrogen-bonded Turntrans-85.7-20.2-179.357.1-95.8000115.2Y133 T137Y133-W135 VanDerWaalsContact CB-NE1 3.28Å; Y133-W135 HydrophobicContact CD1-CZ2 4.44Å; Y133-W135 AromaticContact CD1-NE1 3.62Å; Y133-W135 HydrophobicContact CD2-CZ2 4.17Å; Y133-W135 AromaticContact CG-CE2 3.87Å; Y133-W135 AromaticContact CG-CZ2 3.99Å; Y133-W135 HydrophobicContact CG-CZ2 3.99Å; Y133-W135 AromaticContact CG-NE1 3.6Å; Y133-W135 PolarHBondContact O-N 3.37Å; W135-T137 VanDerWaalsContact C-N 3.28Å
136D66.6Low63Low86 Ų86128.7 Ų128.746%0.4663%0.627SS.*THydrogen-bonded Turntrans-72.4-27.7174.2-70.5-37.6000111.8Y133 K138Y133-D136 WeakPolarHBondContact CB-OD2 3.39Å; Y133-D136 WeakPolarHBondContact CD2-OD2 3.34Å; Y133-D136 PolarHBondContact O-N 3.17Å; D136-K138 PolarHBondContact O-N 2.98Å
137T62.7Low63.4Low58 Ų58128.4 Ų128.436%0.35662%0.623SS.*SBendtrans-71.992.5171.92.10000110.1Y133 I134 W135 P139Y133-T137 PolarHBondContact O-OG1 3.15Å; I134-T137 PolarHBondContact O-OG1 2.93Å; W135-T137 VanDerWaalsContact C-N 3.28Å; T137-P139 VanDerWaalsContact O-N 3.14Å
138K61.1Low64.6Low185 Ų185128.8 Ų128.880%0.80462%0.622SS**  trans-48.1123.6156.7-70.2-173.4-179.7-1800107.7D136 K140D136-K138 PolarHBondContact O-N 2.98Å; K138-K140 PolarHBondContact O-N 2.96Å
139P58.1Low66.1Low116 Ų116127.7 Ų127.775%0.75361%0.609SS**  trans-60.5109.4-172.420-30.6000109.6T137 G141T137-P139 VanDerWaalsContact O-N 3.14Å; P139-G141 PolarHBondContact O-N 3.21Å
140K48.1Very low67.8Low202 Ų202126.9 Ų126.988%0.87861%0.605SS**  trans-70.9113.8168.3-75-163.6176.6-175.70107.4K138K138-K140 PolarHBondContact O-N 2.96Å
141G59.3Low69.6Low41 Ų41128.6 Ų128.642%0.42360%0.598SS.*  trans124.691.8167.100000112.7P139 N143 Q144P139-G141 PolarHBondContact O-N 3.21Å; G141-N143 PolarHBondContact O-N 2.94Å; G141-Q144 PolarHBondContact O-N 3.41Å
142K66.5Low71.2Confident169 Ų169132.1 Ų132.174%0.73561%0.608SS**Hα-helixtrans-44.5-28.9165.6-164.5166.1-176.7175.60112.4Q146K142-Q146 WeakPolarHBondContact O-CG 3.03Å; K142-Q146 PolarHBondContact O-N 3.08Å
143N75.6Confident73.1Confident114 Ų114132.4 Ų132.461%0.6161%0.605SS**Hα-helixtrans-70-36.2178-62.90.1000113.8G141 Q146 M147G141-N143 PolarHBondContact O-N 2.94Å; N143-Q146 PolarHBondContact O-N 3.44Å; N143-M147 PolarHBondContact O-N 3.15Å; N143-M147 VanDerWaalsContact O-N 3.1Å
144Q75.1Confident74.7Confident127 Ų127133.7 Ų133.759%0.59361%0.613SS**Hα-helixtrans-71.4-41179.9-166.5-178.321.400111.3G141 Q146 M147 E148G141-Q144 PolarHBondContact O-N 3.41Å; Q144-Q146 VanDerWaalsContact C-N 3.32Å; Q144-Q146 PolarHBondContact O-N 3.01Å; Q144-M147 PolarHBondContact O-N 3.04Å; Q144-E148 WeakPolarHBondContact O-CB 3.45Å; Q144-E148 PolarHBondContact O-N 3.42Å
145W71Confident76.3Confident158 Ų158132.6 Ų132.660%0.59860%0.602SS**Hα-helixtrans-63.1-37.6176.1-175.185.6000112.4E148 K149W145-E148 PolarHBondContact O-N 2.83Å; W145-K149 HydrophobicContact CE3-CD 4.37Å; W145-K149 HydrophobicContact CH2-CD 3.71Å; W145-K149 HydrophobicContact CZ2-CD 4.22Å; W145-K149 HydrophobicContact CZ3-CD 3.76Å; W145-K149 VanDerWaalsContact O-CB 3.27Å; W145-K149 WeakPolarHBondContact O-CB 3.05Å; W145-K149 PolarHBondContact O-N 3.41Å
146Q83.1Confident77.8Confident103 Ų103126.2 Ų126.248%0.48159%0.591SS.*Hα-helixtrans-66.2-47.3175.4-74177.8-0.100111.9K142 N143 Q144 E148 K149 E150K142-Q146 WeakPolarHBondContact O-CG 3.03Å; K142-Q146 PolarHBondContact O-N 3.08Å; N143-Q146 PolarHBondContact O-N 3.44Å; Q144-Q146 VanDerWaalsContact C-N 3.32Å; Q144-Q146 PolarHBondContact O-N 3.01Å; Q146-E148 VanDerWaalsContact C-N 3.3Å; Q146-E148 PolarHBondContact O-N 3.37Å; Q146-K149 PolarHBondContact O-N 3.08Å; Q146-E150 WeakPolarHBondContact O-CB 3.3Å; Q146-E150 PolarHBondContact O-N 3.4Å
147M81.8Confident79.2Confident124 Ų124128.8 Ų128.861%0.61160%0.6SS**Hα-helixtrans-59.5-40.3174.7-79.1-170.6-79.800112N143 Q144 E150 R151N143-M147 PolarHBondContact O-N 3.15Å; N143-M147 VanDerWaalsContact O-N 3.1Å; Q144-M147 PolarHBondContact O-N 3.04Å; M147-E150 PolarHBondContact O-N 2.91Å; M147-R151 WeakPolarHBondContact O-CB 3.36Å; M147-R151 PolarHBondContact O-N 3.43Å
148E83.1Confident80.8Confident103 Ų103132.6 Ų132.648%0.48161%0.611SS.*Hα-helixtrans-67.9-41.6177-179.1162.8-145.900112.5Q144 W145 Q146 E150 R151 R152Q144-E148 WeakPolarHBondContact O-CB 3.45Å; Q144-E148 PolarHBondContact O-N 3.42Å; W145-E148 PolarHBondContact O-N 2.83Å; Q146-E148 VanDerWaalsContact C-N 3.3Å; Q146-E148 PolarHBondContact O-N 3.37Å; E148-E150 VanDerWaalsContact C-N 3.31Å; E148-E150 PolarHBondContact O-N 2.96Å; E148-R151 PolarHBondContact O-N 3.14Å; E148-R151 IonicContact OE1-NH2 2.94Å; E148-R151 PolarHBondContact OE1-NH2 3.32Å; E148-R152 WeakPolarHBondContact O-CB 3.45Å; E148-R152 PolarHBondContact O-N 3.48Å
149K89.4Confident82.5Confident84 Ų84131.7 Ų131.737%0.36561%0.608SS.*Hα-helixtrans-62.1-40.4174.7-171.2176.1-173.4177.50111.2W145 Q146 R152 R153W145-K149 HydrophobicContact CE3-CD 4.37Å; W145-K149 HydrophobicContact CH2-CD 3.71Å; W145-K149 HydrophobicContact CZ2-CD 4.22Å; W145-K149 HydrophobicContact CZ3-CD 3.76Å; W145-K149 VanDerWaalsContact O-CB 3.27Å; W145-K149 WeakPolarHBondContact O-CB 3.05Å; W145-K149 PolarHBondContact O-N 3.41Å; Q146-K149 PolarHBondContact O-N 3.08Å; K149-R152 PolarHBondContact O-N 2.82Å; K149-R153 WeakPolarHBondContact O-CB 3.29Å; K149-R153 VanDerWaalsContact O-CG 3.26Å; K149-R153 WeakPolarHBondContact O-CG 3.37Å; K149-R153 PolarHBondContact O-N 3.24Å
150E89.2Confident84.3Confident133 Ų133128.9 Ų128.962%0.62159%0.594SS**Hα-helixtrans-66.6-45.1175.2-165.9-174.4154.800111.6Q146 M147 E148 R152 R153 K154Q146-E150 WeakPolarHBondContact O-CB 3.3Å; Q146-E150 PolarHBondContact O-N 3.4Å; M147-E150 PolarHBondContact O-N 2.91Å; E148-E150 VanDerWaalsContact C-N 3.31Å; E148-E150 PolarHBondContact O-N 2.96Å; E150-R152 VanDerWaalsContact C-N 3.3Å; E150-R152 PolarHBondContact O-N 3.18Å; E150-R153 WeakPolarHBondContact O-CB 3.44Å; E150-R153 PolarHBondContact O-N 3.19Å; E150-R153 VanDerWaalsContact O-N 3.16Å; E150-K154 WeakPolarHBondContact O-CB 3.32Å; E150-K154 PolarHBondContact O-N 3.46Å
151R91Very high86.6Confident138 Ų138125.6 Ų125.652%0.52158%0.582SS.*Hα-helixtrans-57.4-43.1174-173.5-17670.2165.8-3111.6M147 E148 K154 K155M147-R151 WeakPolarHBondContact O-CB 3.36Å; M147-R151 PolarHBondContact O-N 3.43Å; E148-R151 PolarHBondContact O-N 3.14Å; E148-R151 IonicContact OE1-NH2 2.94Å; E148-R151 PolarHBondContact OE1-NH2 3.32Å; R151-K154 PolarHBondContact O-N 3.33Å; R151-K155 WeakPolarHBondContact O-CB 3.43Å; R151-K155 WeakPolarHBondContact O-CG 3.34Å; R151-K155 PolarHBondContact O-N 2.91Å
152R92.7Very high88.4Confident199 Ų199131.5 Ų131.575%0.75159%0.592SS**Hα-helixtrans-66.1-41.8177.1-178.2176153.6-170.9-5.4111.5E148 K149 E150 K155 A156E148-R152 WeakPolarHBondContact O-CB 3.45Å; E148-R152 PolarHBondContact O-N 3.48Å; K149-R152 PolarHBondContact O-N 2.82Å; E150-R152 VanDerWaalsContact C-N 3.3Å; E150-R152 PolarHBondContact O-N 3.18Å; R152-K155 PolarHBondContact O-N 2.91Å; R152-A156 WeakPolarHBondContact O-CB 3.37Å; R152-A156 PolarHBondContact O-N 3.25Å
153R93.7Very high89.7Confident161 Ų161129.3 Ų129.361%0.60859%0.587SS**Hα-helixtrans-62.2-45.6173.7-76171.5172.2-174.5-6.2111.8K149 E150 K155 A156 Q157K149-R153 WeakPolarHBondContact O-CB 3.29Å; K149-R153 VanDerWaalsContact O-CG 3.26Å; K149-R153 WeakPolarHBondContact O-CG 3.37Å; K149-R153 PolarHBondContact O-N 3.24Å; E150-R153 WeakPolarHBondContact O-CB 3.44Å; E150-R153 PolarHBondContact O-N 3.19Å; E150-R153 VanDerWaalsContact O-N 3.16Å; R153-K155 PolarHBondContact O-N 3.02Å; R153-A156 PolarHBondContact O-N 2.85Å; R153-Q157 WeakPolarHBondContact O-CB 3.43Å; R153-Q157 PolarHBondContact O-N 2.85Å
154K94.3Very high90.7Very high151 Ų151129.8 Ų129.866%0.65758%0.584SS**Hα-helixtrans-63-40.8177.5-169.5171.6-176.7172.30112.2E150 R151 K158E150-K154 WeakPolarHBondContact O-CB 3.32Å; E150-K154 PolarHBondContact O-N 3.46Å; R151-K154 PolarHBondContact O-N 3.33Å; K154-K158 WeakPolarHBondContact O-CB 3.49Å; K154-K158 PolarHBondContact O-N 2.87Å
155K96.3Very high91.7Very high139 Ų139128.8 Ų128.860%0.60458%0.579SS**Hα-helixtrans-65.1-43.6173.6-74.8-177.8177.9-172.50112.1R151 R152 R153 K158 K159R151-K155 WeakPolarHBondContact O-CB 3.43Å; R151-K155 WeakPolarHBondContact O-CG 3.34Å; R151-K155 PolarHBondContact O-N 2.91Å; R152-K155 PolarHBondContact O-N 2.91Å; R153-K155 PolarHBondContact O-N 3.02Å; K155-K158 PolarHBondContact O-N 3.36Å; K155-K159 WeakPolarHBondContact O-CB 3.37Å; K155-K159 PolarHBondContact O-N 3.47Å
156A95.9Very high92.8Very high60 Ų60125.7 Ų125.750%0.49657%0.573SS.*Hα-helixtrans-64-43.1176.600000111.8R152 R153 K159 A160R152-A156 WeakPolarHBondContact O-CB 3.37Å; R152-A156 PolarHBondContact O-N 3.25Å; R153-A156 PolarHBondContact O-N 2.85Å; A156-K159 PolarHBondContact O-N 3.47Å; A156-A160 WeakPolarHBondContact O-CB 3.34Å; A156-A160 PolarHBondContact O-N 3.02Å
157Q94.8Very high93.4Very high139 Ų139126.2 Ų126.265%0.6558%0.575SS**Hα-helixtrans-62.9-43.3176.2-169.8178.720.100111.6R153 K159 A160 Q161R153-Q157 WeakPolarHBondContact O-CB 3.43Å; R153-Q157 PolarHBondContact O-N 2.85Å; Q157-K159 PolarHBondContact O-N 3.26Å; Q157-A160 PolarHBondContact O-N 3.46Å; Q157-Q161 WeakPolarHBondContact O-CB 3.41Å; Q157-Q161 PolarHBondContact O-N 2.95Å
158K96.8Very high94Very high138 Ų138125.1 Ų125.160%0.657%0.568SS**Hα-helixtrans-64.7-38.4175.6-169.7172.4-175.8175.40112.4K154 K155 R162K154-K158 WeakPolarHBondContact O-CB 3.49Å; K154-K158 PolarHBondContact O-N 2.87Å; K155-K158 PolarHBondContact O-N 3.36Å; K158-R162 WeakPolarHBondContact O-CB 3.39Å; K158-R162 PolarHBondContact O-N 2.92Å
159K97.4Very high94.6Very high166 Ų166124.1 Ų124.172%0.72256%0.564SS**Hα-helixtrans-66.8-43.3175-173177.5178.7-179.30111.4K155 A156 Q157 R162 L163K155-K159 WeakPolarHBondContact O-CB 3.37Å; K155-K159 PolarHBondContact O-N 3.47Å; A156-K159 PolarHBondContact O-N 3.47Å; Q157-K159 PolarHBondContact O-N 3.26Å; K159-R162 PolarHBondContact O-N 3.37Å; K159-L163 WeakPolarHBondContact O-CB 3.46Å; K159-L163 PolarHBondContact O-N 3.17Å
160A95.4Very high94.8Very high58 Ų58126.6 Ų126.648%0.47957%0.574SS.*Hα-helixtrans-64.1-41.4176.200000111.8A156 Q157 L163 K164A156-A160 WeakPolarHBondContact O-CB 3.34Å; A156-A160 PolarHBondContact O-N 3.02Å; Q157-A160 PolarHBondContact O-N 3.46Å; A160-L163 PolarHBondContact O-N 3.5Å; A160-K164 WeakPolarHBondContact O-CB 3.33Å; A160-K164 PolarHBondContact O-N 3.46Å
161Q95.8Very high95.1Very high133 Ų133126 Ų12662%0.62157%0.572SS**Hα-helixtrans-62.6-44.5174.6-174.4-179.515.100111.7Q157 K164 Q165Q157-Q161 WeakPolarHBondContact O-CB 3.41Å; Q157-Q161 PolarHBondContact O-N 2.95Å; Q161-K164 PolarHBondContact O-N 3.33Å; Q161-Q165 WeakPolarHBondContact O-CB 3.3Å; Q161-Q165 PolarHBondContact O-N 3.16Å
162R96.6Very high95.3Very high165 Ų165122.9 Ų122.962%0.62357%0.568SS**Hα-helixtrans-62.1-43176.1-174.3-177.3-68.8-177.4-6.3111.7K158 K159 Q165 M166K158-R162 WeakPolarHBondContact O-CB 3.39Å; K158-R162 PolarHBondContact O-N 2.92Å; K159-R162 PolarHBondContact O-N 3.37Å; R162-Q165 PolarHBondContact O-N 2.85Å; R162-M166 VanDerWaalsContact O-CG 3.28Å; R162-M166 WeakPolarHBondContact O-CG 3.45Å; R162-M166 PolarHBondContact O-N 3.38Å
163L95.2Very high95.4Very high122 Ų122119.4 Ų119.464%0.63956%0.561SS**Hα-helixtrans-64.2-43.5177.3-17562.7000111.3K159 A160 Q165 M166 E167K159-L163 WeakPolarHBondContact O-CB 3.46Å; K159-L163 PolarHBondContact O-N 3.17Å; A160-L163 PolarHBondContact O-N 3.5Å; L163-Q165 PolarHBondContact O-N 3.42Å; L163-M166 PolarHBondContact O-N 3.49Å; L163-E167 WeakPolarHBondContact O-CB 3.3Å; L163-E167 PolarHBondContact O-N 3.23Å
164K96.2Very high95.4Very high125 Ų125118 Ų11854%0.54356%0.559SS.*Hα-helixtrans-63-40176.4-174.1176.2-177.9178.30112.4A160 Q161 E167 Q168A160-K164 WeakPolarHBondContact O-CB 3.33Å; A160-K164 PolarHBondContact O-N 3.46Å; Q161-K164 PolarHBondContact O-N 3.33Å; K164-E167 PolarHBondContact O-N 3.27Å; K164-Q168 VanDerWaalsContact O-CG 3.31Å; K164-Q168 WeakPolarHBondContact O-CG 3.28Å; K164-Q168 PolarHBondContact O-N 2.77Å
165Q95.4Very high95.4Very high105 Ų105115.7 Ų115.749%0.49155%0.552SS.*Hα-helixtrans-62.9-47.7175.2-178.7-179.4-2.800111.3Q161 R162 L163 E167 Q168 E169Q161-Q165 WeakPolarHBondContact O-CB 3.3Å; Q161-Q165 PolarHBondContact O-N 3.16Å; R162-Q165 PolarHBondContact O-N 2.85Å; L163-Q165 PolarHBondContact O-N 3.42Å; Q165-E167 VanDerWaalsContact C-N 3.25Å; Q165-E167 PolarHBondContact O-N 3.04Å; Q165-Q168 PolarHBondContact O-N 3.22Å; Q165-E169 WeakPolarHBondContact CG-OE1 3.27Å; Q165-E169 PolarHBondContact NE2-OE1 3.41Å; Q165-E169 VanDerWaalsContact NE2-OE1 3.12Å; Q165-E169 WeakPolarHBondContact O-CG 3.29Å; Q165-E169 PolarHBondContact O-N 2.93Å
166M95.4Very high95.4Very high94 Ų94115.9 Ų115.946%0.46355%0.552SS.*Hα-helixtrans-61.4-34.2176.5-68.5-69.2-56.900112.3R162 L163 K170R162-M166 VanDerWaalsContact O-CG 3.28Å; R162-M166 WeakPolarHBondContact O-CG 3.45Å; R162-M166 PolarHBondContact O-N 3.38Å; L163-M166 PolarHBondContact O-N 3.49Å; M166-K170 WeakPolarHBondContact O-CB 3.49Å; M166-K170 VanDerWaalsContact O-CG 3.23Å; M166-K170 WeakPolarHBondContact O-CG 3.3Å; M166-K170 PolarHBondContact O-N 3.48Å; M166-K170 VanDerWaalsContact O-N 3.12Å
167E94.8Very high95.1Very high114 Ų114121.4 Ų121.453%0.53356%0.56SS.*Hα-helixtrans-69.4-43.7175.2-174.2172.4-15200111.8L163 K164 Q165 E169 K170 E171L163-E167 WeakPolarHBondContact O-CB 3.3Å; L163-E167 PolarHBondContact O-N 3.23Å; K164-E167 PolarHBondContact O-N 3.27Å; Q165-E167 VanDerWaalsContact C-N 3.25Å; Q165-E167 PolarHBondContact O-N 3.04Å; E167-E169 PolarHBondContact O-N 3.22Å; E167-K170 WeakPolarHBondContact O-CB 3.46Å; E167-K170 PolarHBondContact O-N 3.22Å; E167-E171 WeakPolarHBondContact O-CG 3.46Å; E167-E171 PolarHBondContact O-N 2.81Å
168Q95.1Very high94.9Very high100 Ų100120.3 Ų120.347%0.46755%0.554SS.*Hα-helixtrans-61.3-43174.6-73.5175.8-18.900112K164 Q165 E171 T172K164-Q168 VanDerWaalsContact O-CG 3.31Å; K164-Q168 WeakPolarHBondContact O-CG 3.28Å; K164-Q168 PolarHBondContact O-N 2.77Å; Q165-Q168 PolarHBondContact O-N 3.22Å; Q168-E171 PolarHBondContact O-N 3.5Å; Q168-T172 WeakPolarHBondContact O-CG2 3.27Å; Q168-T172 PolarHBondContact O-N 3.26Å; Q168-T172 PolarHBondContact O-OG1 3.07Å
169E94.7Very high94.6Very high82 Ų82117.9 Ų117.938%0.38355%0.547SS..Hα-helixtrans-58.7-49.7175-73.8169-169.800110.5Q165 E167 E171 T172 E173Q165-E169 WeakPolarHBondContact CG-OE1 3.27Å; Q165-E169 PolarHBondContact NE2-OE1 3.41Å; Q165-E169 VanDerWaalsContact NE2-OE1 3.12Å; Q165-E169 WeakPolarHBondContact O-CG 3.29Å; Q165-E169 PolarHBondContact O-N 2.93Å; E167-E169 PolarHBondContact O-N 3.22Å; E169-E171 VanDerWaalsContact C-N 3.33Å; E169-E171 PolarHBondContact O-N 3.48Å; E169-T172 PolarHBondContact O-N 3.26Å; E169-T172 PolarHBondContact O-OG1 2.84Å; E169-E173 WeakPolarHBondContact O-CG 3.41Å; E169-E173 PolarHBondContact O-N 3.31Å
170K95.1Very high94.3Very high136 Ų136116.8 Ų116.859%0.59154%0.543SS*.Hα-helixtrans-58.5-39.2174.5-73.6173.9-179.2-175.90113.2M166 E167 K174M166-K170 WeakPolarHBondContact O-CB 3.49Å; M166-K170 VanDerWaalsContact O-CG 3.23Å; M166-K170 WeakPolarHBondContact O-CG 3.3Å; M166-K170 PolarHBondContact O-N 3.48Å; M166-K170 VanDerWaalsContact O-N 3.12Å; E167-K170 WeakPolarHBondContact O-CB 3.46Å; E167-K170 PolarHBondContact O-N 3.22Å; K170-K174 VanDerWaalsContact O-CB 3.27Å; K170-K174 WeakPolarHBondContact O-CB 3.44Å; K170-K174 PolarHBondContact O-N 2.88Å
171E94.3Very high93.9Very high120 Ų120115.6 Ų115.656%0.56153%0.531SS*.Hα-helixtrans-68.3-41.1177.3-76.6-170.315600112.2E167 Q168 E169 K174 M175E167-E171 WeakPolarHBondContact O-CG 3.46Å; E167-E171 PolarHBondContact O-N 2.81Å; Q168-E171 PolarHBondContact O-N 3.5Å; E169-E171 VanDerWaalsContact C-N 3.33Å; E169-E171 PolarHBondContact O-N 3.48Å; E171-K174 PolarHBondContact O-N 2.98Å; E171-M175 WeakPolarHBondContact O-CB 3.23Å; E171-M175 PolarHBondContact O-N 3.49Å
172T94.7Very high93.4Very high74 Ų74112.4 Ų112.445%0.45452%0.524SS..Hα-helixtrans-66.4-38.6175.964.70000111.9Q168 E169 M175 K176Q168-T172 WeakPolarHBondContact O-CG2 3.27Å; Q168-T172 PolarHBondContact O-N 3.26Å; Q168-T172 PolarHBondContact O-OG1 3.07Å; E169-T172 PolarHBondContact O-N 3.26Å; E169-T172 PolarHBondContact O-OG1 2.84Å; T172-M175 PolarHBondContact O-N 3.31Å; T172-K176 WeakPolarHBondContact O-CB 3.42Å; T172-K176 VanDerWaalsContact O-CG 3.25Å; T172-K176 WeakPolarHBondContact O-CG 3.44Å; T172-K176 PolarHBondContact O-N 2.68Å
173E95.1Very high92.8Very high126 Ų126110.8 Ų110.859%0.58952%0.521SS*.Hα-helixtrans-64.2-44.6172.9-73.7178.6176.700111.4E169 M175 K176 W177E169-E173 WeakPolarHBondContact O-CG 3.41Å; E169-E173 PolarHBondContact O-N 3.31Å; E173-M175 VanDerWaalsContact C-N 3.3Å; E173-M175 PolarHBondContact O-N 2.87Å; E173-K176 PolarHBondContact O-N 2.87Å; E173-W177 WeakPolarHBondContact O-CB 2.89Å; E173-W177 PolarHBondContact O-N 3.36Å
174K94.7Very high92Very high130 Ų130107.3 Ų107.357%0.56551%0.51SS*.Hα-helixtrans-58.7-41.7174.1-177.2-179.2-179.4-179.60111.5K170 E171 W177 K178K170-K174 VanDerWaalsContact O-CB 3.27Å; K170-K174 WeakPolarHBondContact O-CB 3.44Å; K170-K174 PolarHBondContact O-N 2.88Å; E171-K174 PolarHBondContact O-N 2.98Å; K174-W177 PolarHBondContact O-N 3.31Å; K174-K178 WeakPolarHBondContact O-CG 3.19Å; K174-K178 PolarHBondContact O-N 3.16Å
175M94.2Very high90.8Very high104 Ų104107.5 Ų107.551%0.51251%0.511SS..Hα-helixtrans-67.9-46178.1-163.365.5-172.800111.5E171 T172 E173 W177 K178 D179E171-M175 WeakPolarHBondContact O-CB 3.23Å; E171-M175 PolarHBondContact O-N 3.49Å; T172-M175 PolarHBondContact O-N 3.31Å; E173-M175 VanDerWaalsContact C-N 3.3Å; E173-M175 PolarHBondContact O-N 2.87Å; M175-W177 PolarHBondContact O-N 3.28Å; M175-K178 WeakPolarHBondContact O-CB 3.18Å; M175-K178 PolarHBondContact O-N 3.49Å; M175-K178 VanDerWaalsContact O-N 3.12Å; M175-K178 HydrophobicContact SD-CD 4.43Å; M175-D179 PolarHBondContact O-N 3.24Å
176K95.3Very high89.7Confident142 Ų142107.2 Ų107.262%0.61752%0.52SS*.Hα-helixtrans-56.7-39.7172.8-72.3168.4-176.5172.40111.8T172 E173 D179 F180T172-K176 WeakPolarHBondContact O-CB 3.42Å; T172-K176 VanDerWaalsContact O-CG 3.25Å; T172-K176 WeakPolarHBondContact O-CG 3.44Å; T172-K176 PolarHBondContact O-N 2.68Å; E173-K176 PolarHBondContact O-N 2.87Å; K176-D179 PolarHBondContact O-N 2.9Å; K176-F180 WeakPolarHBondContact O-CB 3.48Å; K176-F180 PolarHBondContact O-N 2.91Å
177W89.9Confident88.5Confident176 Ų176110.7 Ų110.767%0.66753%0.533SS*.Hα-helixtrans-70.3-38.1177.7-164.381000112.3E173 K174 M175 F180 S181E173-W177 WeakPolarHBondContact O-CB 2.89Å; E173-W177 PolarHBondContact O-N 3.36Å; K174-W177 PolarHBondContact O-N 3.31Å; M175-W177 PolarHBondContact O-N 3.28Å; W177-F180 PolarHBondContact O-N 2.9Å; W177-S181 VanDerWaalsContact O-CB 3.25Å; W177-S181 WeakPolarHBondContact O-CB 3.36Å; W177-S181 PolarHBondContact O-N 2.84Å
178K90.2Very high87.1Confident116 Ų116108.6 Ų108.650%0.50453%0.531SS..Hα-helixtrans-61.2-43.3170.7-77.9-177.5173.2-1710111.8K174 M175 S181 S182K174-K178 WeakPolarHBondContact O-CG 3.19Å; K174-K178 PolarHBondContact O-N 3.16Å; M175-K178 WeakPolarHBondContact O-CB 3.18Å; M175-K178 PolarHBondContact O-N 3.49Å; M175-K178 VanDerWaalsContact O-N 3.12Å; M175-K178 HydrophobicContact SD-CD 4.43Å; K178-S181 PolarHBondContact O-N 3.21Å; K178-S182 WeakPolarHBondContact O-CB 3.29Å; K178-S182 PolarHBondContact O-N 3.41Å; K178-S182 PolarHBondContact O-OG 3.46Å; K178-S182 VanDerWaalsContact O-OG 3.06Å
179D92.1Very high85.5Confident87 Ų87110.6 Ų110.647%0.46554%0.535SS..Hα-helixtrans-65.7-42.8177.3-67.9-22.3000111.4M175 K176 S182 K183M175-D179 PolarHBondContact O-N 3.24Å; K176-D179 PolarHBondContact O-N 2.9Å; D179-S182 WeakPolarHBondContact CA-OG 3.2Å; D179-S182 PolarHBondContact O-OG 3.42Å; D179-K183 VanDerWaalsContact O-CB 3.22Å; D179-K183 WeakPolarHBondContact O-CB 3.38Å; D179-K183 PolarHBondContact O-N 3.38Å
180F90.1Very high84.3Confident143 Ų143117.2 Ų117.263%0.62756%0.562SS**Hα-helixtrans-59.5-48.8172.8173.9-100.6000112K176 W177 K183 A184K176-F180 WeakPolarHBondContact O-CB 3.48Å; K176-F180 PolarHBondContact O-N 2.91Å; W177-F180 PolarHBondContact O-N 2.9Å; F180-K183 PolarHBondContact O-N 3.29Å; F180-A184 PolarHBondContact O-N 3.09Å
181S87.5Confident83Confident33 Ų33114.3 Ų114.323%0.23157%0.571CS.*Hα-helixtrans-59.2-51.7179.5-173.50000110.9W177 K178 K183 A184 F185W177-S181 VanDerWaalsContact O-CB 3.25Å; W177-S181 WeakPolarHBondContact O-CB 3.36Å; W177-S181 PolarHBondContact O-N 2.84Å; K178-S181 PolarHBondContact O-N 3.21Å; S181-K183 VanDerWaalsContact C-N 3.32Å; S181-K183 PolarHBondContact O-N 2.89Å; S181-A184 PolarHBondContact O-N 2.97Å; S181-F185 WeakPolarHBondContact O-CD2 3.45Å; S181-F185 PolarHBondContact O-N 3.35Å; S181-F185 VanDerWaalsContact O-N 3.11Å; S181-F185 WeakPolarHBondContact OG-CE2 3.24Å
182S85.1Confident82Confident67 Ų67113.8 Ų113.847%0.46957%0.571SS.*Hα-helixtrans-61.2-37.5178.562.90000113.1K178 D179 F185 S186K178-S182 WeakPolarHBondContact O-CB 3.29Å; K178-S182 PolarHBondContact O-N 3.41Å; K178-S182 PolarHBondContact O-OG 3.46Å; K178-S182 VanDerWaalsContact O-OG 3.06Å; D179-S182 WeakPolarHBondContact CA-OG 3.2Å; D179-S182 PolarHBondContact O-OG 3.42Å; S182-F185 PolarHBondContact O-N 2.99Å; S182-S186 WeakPolarHBondContact O-CB 3.4Å; S182-S186 PolarHBondContact O-N 3.3Å; S182-S186 PolarHBondContact O-OG 2.95Å
183K84.2Confident80.5Confident131 Ų131119.7 Ų119.757%0.5759%0.585SS**Hα-helixtrans-70.3-33.3177.3-163.9168.3-172.6175.60113.2D179 F180 S181 S186D179-K183 VanDerWaalsContact O-CB 3.22Å; D179-K183 WeakPolarHBondContact O-CB 3.38Å; D179-K183 PolarHBondContact O-N 3.38Å; F180-K183 PolarHBondContact O-N 3.29Å; S181-K183 VanDerWaalsContact C-N 3.32Å; S181-K183 PolarHBondContact O-N 2.89Å; K183-S186 PolarHBondContact O-OG 2.99Å
184A77.6Confident79.2Confident49 Ų49124 Ų12441%0.40560%0.602SS.*Hα-helixtrans-66.4-44172.500000111.3F180 S181 S188F180-A184 PolarHBondContact O-N 3.09Å; S181-A184 PolarHBondContact O-N 2.97Å; A184-S188 PolarHBondContact O-N 3.19Å
185F71.1Confident78.1Confident129 Ų129124.2 Ų124.257%0.56661%0.605SS**Hα-helixtrans-72.8-37.9-180-71.9-65.7000113.7S181 S182 K187 Y189S181-F185 WeakPolarHBondContact O-CD2 3.45Å; S181-F185 PolarHBondContact O-N 3.35Å; S181-F185 VanDerWaalsContact O-N 3.11Å; S181-F185 WeakPolarHBondContact OG-CE2 3.24Å; S182-F185 PolarHBondContact O-N 2.99Å; F185-K187 PolarHBondContact O-N 3.32Å; F185-Y189 PolarHBondContact O-N 2.92Å
186S72.8Confident77Confident98 Ų98122.4 Ų122.469%0.68560%0.602SS**Hα-helixtrans-66.8-26.2-179.171.20000113.2S182 K183S182-S186 WeakPolarHBondContact O-CB 3.4Å; S182-S186 PolarHBondContact O-N 3.3Å; S182-S186 PolarHBondContact O-OG 2.95Å; K183-S186 PolarHBondContact O-OG 2.99Å
187K71Confident75.6Confident168 Ų168121.2 Ų121.273%0.7360%0.602SS**Hα-helixtrans-90.9-27.9-179.8-71-172.7175.2-169.30114.2F185F185-K187 PolarHBondContact O-N 3.32Å
188S63.7Low74.5Confident69 Ų69120.6 Ų120.648%0.48360%0.604SS.*Hα-helixtrans-114.1-23.1-164.9-159.40000115.9A184A184-S188 PolarHBondContact O-N 3.19Å
189Y62.3Low73.7Confident142 Ų142117.7 Ų117.756%0.55760%0.601SS**  trans-148.976.6-170.6-61.3-74.9000113.9F185 G191 I192F185-Y189 PolarHBondContact O-N 2.92Å; Y189-G191 PolarHBondContact O-N 2.75Å; Y189-G191 VanDerWaalsContact O-N 3.09Å; Y189-I192 HydrophobicContact CD1-CD1 3.31Å; Y189-I192 HydrophobicContact CD1-CG1 4.27Å; Y189-I192 HydrophobicContact CE1-CD1 4.03Å; Y189-I192 HydrophobicContact CG-CD1 3.63Å; Y189-I192 HydrophobicContact CG-CG1 4.42Å
190K70.3Confident72.7Confident221 Ų221118 Ų11896%0.96161%0.61SS**THydrogen-bonded Turntrans-71.496.1166.4-172.293.5176.6-171.50108.9
191G66.9Low71.8Confident75 Ų75112.4 Ų112.477%0.77359%0.588SS**THydrogen-bonded Turntrans130.7-6.8172.200000116.6Y189Y189-G191 PolarHBondContact O-N 2.75Å; Y189-G191 VanDerWaalsContact O-N 3.09Å
192I73.1Confident71.1Confident109 Ų109119.3 Ų119.356%0.55962%0.622SS**SBendtrans-79.1132.2172.4-66.2-177.8000109.2Y189Y189-I192 HydrophobicContact CD1-CD1 3.31Å; Y189-I192 HydrophobicContact CD1-CG1 4.27Å; Y189-I192 HydrophobicContact CE1-CD1 4.03Å; Y189-I192 HydrophobicContact CG-CD1 3.63Å; Y189-I192 HydrophobicContact CG-CG1 4.42Å
193R64Low70.5Confident199 Ų199120.1 Ų120.175%0.75163%0.625SS**  trans-62138.3-179.1-62.3-160.7-172.4-166.91.2110.8E195R193-E195 VanDerWaalsContact C-N 3.28Å; R193-E195 HydrophobicContact CB-CG 4.19Å; R193-E195 WeakPolarHBondContact CD-OE1 3.43Å; R193-E195 IonicContact NE-OE1 2.54Å; R193-E195 IonicContact NH1-OE1 3.48Å; R193-E195 PolarHBondContact NH1-OE1 3.16Å; R193-E195 PolarHBondContact O-N 3.28Å
194K68.1Low69.9Low216 Ų216123.9 Ų123.994%0.93965%0.645SS**  trans-82.72.6-171.3-62.2-179179.1177.60114.5S196K194-S196 PolarHBondContact O-N 2.63Å
195E71.2Confident69.3Low134 Ų134127.8 Ų127.863%0.62666%0.664SS**  trans-88.6104.8-174.252.1-146.4169.700110.5R193R193-E195 VanDerWaalsContact C-N 3.28Å; R193-E195 HydrophobicContact CB-CG 4.19Å; R193-E195 WeakPolarHBondContact CD-OE1 3.43Å; R193-E195 IonicContact NE-OE1 2.54Å; R193-E195 IonicContact NH1-OE1 3.48Å; R193-E195 PolarHBondContact NH1-OE1 3.16Å; R193-E195 PolarHBondContact O-N 3.28Å
196S69.9Low68.9Low66 Ų66123.2 Ų123.246%0.46265%0.653SS.*  trans-74.1132171.8170.90000109.5K194 F198 A199K194-S196 PolarHBondContact O-N 2.63Å; S196-F198 PolarHBondContact O-N 3.09Å; S196-F198 PolarHBondContact OG-N 3.06Å; S196-A199 WeakPolarHBondContact O-CB 3.14Å; S196-A199 PolarHBondContact O-N 3.2Å
197I66.8Low68.3Low118 Ų118129.3 Ų129.361%0.60566%0.661SS**THydrogen-bonded Turntrans-64.4-9.1175.164.1172.8000113.8C213I197-C213 WeakPolarHBondContact CA-SG 3.47Å; I197-C213 VanDerWaalsContact O-CB 3.25Å; I197-C213 WeakPolarHBondContact O-CB 3.42Å; I197-C213 PolarHBondContact O-SG 2.68Å
198F66.8Low67.6Low163 Ų163126.4 Ų126.472%0.71566%0.657SS**THydrogen-bonded Turntrans-108.1-0.5178.3-52.4-76.3000112.8S196S196-F198 PolarHBondContact O-N 3.09Å; S196-F198 PolarHBondContact OG-N 3.06Å
199A74.2Confident67.2Low54 Ų54125.8 Ų125.845%0.44666%0.661SS.*SBendtrans-65.8138.4176.900000110.1S196S196-A199 WeakPolarHBondContact O-CB 3.14Å; S196-A199 PolarHBondContact O-N 3.2Å
200S70.8Confident66.9Low93 Ų93127 Ų12765%0.6568%0.683SS**PPolyproline II helixtrans-57.9129.1170.8-171.20000108.6
201P71.3Confident66.3Low26 Ų26119.6 Ų119.617%0.16967%0.67CS.*PPolyproline II helixtrans-65.7146.8174.5-13.728000110.3T203P201-T203 PolarHBondContact O-N 2.89Å
202D71.3Confident65.1Low178 Ų178120.5 Ų120.595%0.95266%0.661SS**SBendtrans-80.1-4.9172.8-69.7-31.2000112.7
203T73.2Confident64.2Low85 Ų85117.2 Ų117.252%0.52165%0.647SS.*SBendtrans-86.2142-178.547.60000112.4P201 T205 G206P201-T203 PolarHBondContact O-N 2.89Å; T203-T205 PolarHBondContact O-N 3.33Å; T203-G206 PolarHBondContact O-N 2.74Å
204E72.1Confident63.8Low210 Ų210110.3 Ų110.398%0.98164%0.638SS**THydrogen-bonded Turntrans-55.9-19.1-178.4-65.3176.7173.700114.3
205T65.2Low63.2Low131 Ų131103.5 Ų103.580%0.80461%0.611SS**THydrogen-bonded Turntrans-108.413.1179.756.70000113.9T203 R207T203-T205 PolarHBondContact O-N 3.33Å; T205-R207 PolarHBondContact O-N 2.76Å; T205-R207 VanDerWaalsContact O-N 3.13Å
206G61.8Low62.2Low33 Ų33103.5 Ų103.534%0.3463%0.626SS.*  trans-67.3104.1-176.300000114.5T203T203-G206 PolarHBondContact O-N 2.74Å
207R61.1Low61.6Low226 Ų226104 Ų10485%0.85364%0.642SS**  trans-90135.4167.3-101.9179.5-178.3176.71.2111.4T205T205-R207 PolarHBondContact O-N 2.76Å; T205-R207 VanDerWaalsContact O-N 3.13Å
208V56Low61.4Low107 Ų107105.7 Ų105.765%0.64864%0.644SS**  trans-91.8114.6169.2-1780000107.8
209G56Low61.4Low56 Ų56103.6 Ų103.658%0.57765%0.647SS**  trans-172.7159.9-17700000112.6G211G209-G211 PolarHBondContact O-N 3.03Å
210V55.6Low61Low166 Ų166109.6 Ų109.6100%1.00667%0.668SS**THydrogen-bonded Turntrans-62.9100.9-176.6-174.80000109.6
211G56.3Low61.1Low67 Ų67111.8 Ų111.869%0.69168%0.678SS**THydrogen-bonded Turntrans154.5-43.1166.400000116.5G209G209-G211 PolarHBondContact O-N 3.03Å
212T42.9Very low61Low94 Ų94121.6 Ų121.658%0.57771%0.711SS**  trans-163.7108.2176.6440000110.7G214T212-G214 PolarHBondContact O-N 3.35Å
213C53.3Low61.2Low39 Ų39119.4 Ų119.426%0.26469%0.694SS.*SBendtrans-70.8115.6164.853.50000109.2I197 I215I197-C213 WeakPolarHBondContact CA-SG 3.47Å; I197-C213 VanDerWaalsContact O-CB 3.25Å; I197-C213 WeakPolarHBondContact O-CB 3.42Å; I197-C213 PolarHBondContact O-SG 2.68Å; C213-I215 WeakPolarHBondContact O-CG1 3.26Å; C213-I215 PolarHBondContact O-N 2.81Å
214G55Low61.3Low55 Ų55120.9 Ų120.957%0.56770%0.702SS**SBendtrans60.97.4163.200000117.9T212T212-G214 PolarHBondContact O-N 3.35Å
215I55.7Low61.1Low73 Ų73119.6 Ų119.637%0.37469%0.689SS.*  trans-113.761.5-177.6-63.9166000107.9C213 G217 K218C213-I215 WeakPolarHBondContact O-CG1 3.26Å; C213-I215 PolarHBondContact O-N 2.81Å; I215-G217 PolarHBondContact O-N 2.82Å; I215-K218 HydrophobicContact CG2-CB 3.29Å; I215-K218 HydrophobicContact CG2-CD 3.76Å; I215-K218 HydrophobicContact CG2-CG 3.56Å
216S51.7Low61.1Low134 Ų134121.9 Ų121.994%0.93769%0.691SS**THydrogen-bonded Turntrans-69.2102.6164.3-165.80000106.9
217G57.6Low61.1Low77 Ų77127.4 Ų127.479%0.79471%0.713SS**THydrogen-bonded Turntrans112.30.117100000118.3I215I215-G217 PolarHBondContact O-N 2.82Å
218K62.6Low60.9Low152 Ų152125.8 Ų125.866%0.66171%0.712SS**PPolyproline II helixtrans-98.8131.4165.7-48.1171.8173.5177.40110I215I215-K218 HydrophobicContact CG2-CB 3.29Å; I215-K218 HydrophobicContact CG2-CD 3.76Å; I215-K218 HydrophobicContact CG2-CG 3.56Å
219P65.6Low60.8Low120 Ų120128.4 Ų128.478%0.77972%0.722SS**PPolyproline II helixtrans-65.9159.5174.328.9-34.2000111T221P219-T221 PolarHBondContact O-N 3.21Å
220M65.5Low60.7Low180 Ų180132.1 Ų132.189%0.88773%0.733SS**PPolyproline II helixtrans-48136.1176.4-163.4-178.1-69.200110.4R222M220-R222 PolarHBondContact O-N 3.42Å
221T73.6Confident60.3Low138 Ų138130.6 Ų130.685%0.84772%0.724SS**  trans-53.1115.5179.945.70000109.7P219 F223P219-T221 PolarHBondContact O-N 3.21Å; T221-F223 PolarHBondContact O-N 2.87Å
222R69.1Low59.8Low233 Ų233130.2 Ų130.288%0.87972%0.72SS**  trans-66.3123.1179.5-171.6-179.2176.7116-1.3108.7M220 V224M220-R222 PolarHBondContact O-N 3.42Å; R222-V224 PolarHBondContact O-N 3.23Å
223F76.1Confident59.9Low132 Ų132135.4 Ų135.458%0.57974%0.735SS**  trans-60.9117.7168.2166.9-108.7000109.1T221 Y225T221-F223 PolarHBondContact O-N 2.87Å; F223-Y225 AromaticContact CD1-CD2 3.69Å; F223-Y225 HydrophobicContact CD1-CD2 3.69Å; F223-Y225 AromaticContact CD1-CE2 3.7Å; F223-Y225 HydrophobicContact CD1-CE2 3.7Å; F223-Y225 HydrophobicContact CD1-CG 4.15Å; F223-Y225 AromaticContact CE1-CD1 3.48Å; F223-Y225 HydrophobicContact CE1-CD1 3.48Å; F223-Y225 VanDerWaalsContact CE1-CD1 3.48Å; F223-Y225 AromaticContact CE1-CD2 3.34Å; F223-Y225 HydrophobicContact CE1-CD2 3.34Å; F223-Y225 AromaticContact CE1-CE1 3.55Å; F223-Y225 HydrophobicContact CE1-CE1 3.55Å; F223-Y225 AromaticContact CE1-CE2 3.41Å; F223-Y225 HydrophobicContact CE1-CE2 3.41Å; F223-Y225 VanDerWaalsContact CE1-CE2 3.41Å; F223-Y225 AromaticContact CE1-CG 3.36Å; F223-Y225 HydrophobicContact CE1-CG 3.36Å; F223-Y225 AromaticContact CE1-CZ 3.5Å; F223-Y225 AromaticContact CZ-CD1 3.92Å; F223-Y225 HydrophobicContact CZ-CD1 3.92Å; F223-Y225 HydrophobicContact CZ-CD2 4.39Å; F223-Y225 HydrophobicContact CZ-CE1 4.19Å; F223-Y225 HydrophobicContact CZ-CG 4.02Å
224V75.1Confident59.7Low115 Ų115141.2 Ų141.270%0.69776%0.762SS**  trans-86.1111.8169-177.80000105.9R222 Q226R222-V224 PolarHBondContact O-N 3.23Å; V224-Q226 PolarHBondContact O-N 2.78Å; V224-Q226 VanDerWaalsContact O-N 3.11Å
225Y67.3Low59.3Low183 Ų183146.4 Ų146.472%0.71878%0.777SS**  trans-56.2120.2166.3-83.7-90.7000106.9F223 D227F223-Y225 AromaticContact CD1-CD2 3.69Å; F223-Y225 HydrophobicContact CD1-CD2 3.69Å; F223-Y225 AromaticContact CD1-CE2 3.7Å; F223-Y225 HydrophobicContact CD1-CE2 3.7Å; F223-Y225 HydrophobicContact CD1-CG 4.15Å; F223-Y225 AromaticContact CE1-CD1 3.48Å; F223-Y225 HydrophobicContact CE1-CD1 3.48Å; F223-Y225 VanDerWaalsContact CE1-CD1 3.48Å; F223-Y225 AromaticContact CE1-CD2 3.34Å; F223-Y225 HydrophobicContact CE1-CD2 3.34Å; F223-Y225 AromaticContact CE1-CE1 3.55Å; F223-Y225 HydrophobicContact CE1-CE1 3.55Å; F223-Y225 AromaticContact CE1-CE2 3.41Å; F223-Y225 HydrophobicContact CE1-CE2 3.41Å; F223-Y225 VanDerWaalsContact CE1-CE2 3.41Å; F223-Y225 AromaticContact CE1-CG 3.36Å; F223-Y225 HydrophobicContact CE1-CG 3.36Å; F223-Y225 AromaticContact CE1-CZ 3.5Å; F223-Y225 AromaticContact CZ-CD1 3.92Å; F223-Y225 HydrophobicContact CZ-CD1 3.92Å; F223-Y225 HydrophobicContact CZ-CD2 4.39Å; F223-Y225 HydrophobicContact CZ-CE1 4.19Å; F223-Y225 HydrophobicContact CZ-CG 4.02Å; Y225-D227 PolarHBondContact O-N 2.91Å
226Q65.1Low58.9Low179 Ų179148.8 Ų148.884%0.83680%0.795SS**  trans-70.4113.4167.2-61.8-146.8-31.600106.5V224 K228V224-Q226 PolarHBondContact O-N 2.78Å; V224-Q226 VanDerWaalsContact O-N 3.11Å; Q226-K228 PolarHBondContact O-N 3.42Å; Q226-K228 VanDerWaalsContact O-N 3.15Å
227D62.5Low58.8Low149 Ų149148 Ų14880%0.79779%0.786SS**  trans-55.8123.2171.6-75.9-26.8000107.7Y225 L229Y225-D227 PolarHBondContact O-N 2.91Å; D227-L229 PolarHBondContact O-N 2.81Å; D227-L229 VanDerWaalsContact O-N 3.08Å
228K55.9Low58.5Low193 Ų193149.7 Ų149.784%0.83978%0.784SS**  trans-52.5121.9177.8-63-179.8-170.4-1780106.6Q226 V230Q226-K228 PolarHBondContact O-N 3.42Å; Q226-K228 VanDerWaalsContact O-N 3.15Å; K228-V230 PolarHBondContact O-N 2.89Å
229L53.4Low58Low162 Ų162156.1 Ų156.185%0.84881%0.812SS**  trans-52.898.2177.6-67.5165.3000109D227 T231D227-L229 PolarHBondContact O-N 2.81Å; D227-L229 VanDerWaalsContact O-N 3.08Å; L229-T231 VanDerWaalsContact C-N 3.31Å; L229-T231 PolarHBondContact O-N 3.49Å
230V55Low57.6Low134 Ų134157.9 Ų157.981%0.81281%0.814SS**  trans-77.694.7168.9178.90000106K228 G232K228-V230 PolarHBondContact O-N 2.89Å; V230-G232 PolarHBondContact O-N 2.98Å; V230-G232 VanDerWaalsContact O-N 3.13Å
231T46.3Very low57.2Low134 Ų134156.7 Ų156.782%0.82281%0.81SS**  trans-63.3105.7170.448.90000109.1L229L229-T231 VanDerWaalsContact C-N 3.31Å; L229-T231 PolarHBondContact O-N 3.49Å
232G46.5Very low56.2Low59 Ų59157.8 Ų157.861%0.60881%0.808SS**  trans127.298.9161.100000115.2V230V230-G232 PolarHBondContact O-N 2.98Å; V230-G232 VanDerWaalsContact O-N 3.13Å
233K45.9Very low55.5Low203 Ų203153.4 Ų153.488%0.88380%0.804SS**  172.6121.3101-90.8-179.8-177.41800109.8
234L48.7Very low54.2Low161 Ų161154.7 Ų154.784%0.84382%0.818SS**  trans-9.4117.3156.1-60.3163.8000115.2
235N46.7Very low52.8Low163 Ų163157.3 Ų157.387%0.87283%0.826SS**  trans-11791.7160.8-124.6-21000107
236T47.3Very low51.8Low124 Ų124155.5 Ų155.576%0.76183%0.833SS**  trans-100.4115.1165.7440000108
237P49.1Very low50.7Low116 Ų116153.7 Ų153.775%0.75383%0.833SS**  trans-92.9168.7170.937.3-31000111.5
238P51.8Low49.8Very low113 Ų113154.1 Ų154.173%0.73484%0.836SS**  trans-108.3161.6-135.340-35000115.2
239F50.8Low49.2Very low287 Ų287150.5 Ų150.5100%1.25984%0.836SS**  trans37.40162.9-74.3-78.2000119.5

Retrieved 239 of 239 residues in 56.7 ms (Link to these results)

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