A0A087XG98_POEFO Loading...

Serine/threonine-protein phosphatase

AlphaFold DB (A0A4W6G6V2), UniProt , Accession A0A087XG98, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 323 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
1M41.3Very low71.5Confident248 Ų24897.6 Ų97.6100%1.22253%0.53SS*.  0107.60-77.9154.6156.700106.4D3M1-D3 PolarHBondContact O-N 2.95Å
2A39.4Very low73.7Confident85 Ų8589.5 Ų89.570%0.70249%0.486SS*.  trans-83.3110.1-176.400000109V4A2-V4 VanDerWaalsContact C-N 3.31Å; A2-V4 WeakPolarHBondContact O-CG2 3.23Å; A2-V4 PolarHBondContact O-N 2.89Å
3D49Very low75.6Confident96 Ų9683.8 Ų83.851%0.51346%0.455SS..  trans21.253.4151.5-128.5-7.9000117.5M1 D5 K6M1-D3 PolarHBondContact O-N 2.95Å; D3-D5 PolarHBondContact O-N 3.3Å; D3-K6 PolarHBondContact O-N 3.3Å; D3-K6 IonicContact OD1-NZ 3.59Å; D3-K6 VanDerWaalsContact OD2-CD 3.3Å; D3-K6 WeakPolarHBondContact OD2-CD 3.45Å; D3-K6 VanDerWaalsContact OD2-CE 3.23Å; D3-K6 WeakPolarHBondContact OD2-CE 3.4Å; D3-K6 IonicContact OD2-NZ 3.95Å; D3-K6 PolarHBondContact OD2-NZ 2.88Å
4V50.7Low77.2Confident54 Ų5486.4 Ų86.433%0.32746%0.462SS..G310 helixtrans-67.1-22.8173.1-175.30000110.5A2 K6 L7 L40A2-V4 VanDerWaalsContact C-N 3.31Å; A2-V4 WeakPolarHBondContact O-CG2 3.23Å; A2-V4 PolarHBondContact O-N 2.89Å; V4-K6 PolarHBondContact O-N 2.67Å; V4-L7 PolarHBondContact O-N 3.02Å; V4-L40 HydrophobicContact CG2-CD1 4.14Å
5D54.6Low78.6Confident155 Ų15584.1 Ų84.183%0.82945%0.445SS*.G310 helixtrans-71.3-5.4-179.8-66.9-33.4000114.5D3D3-D5 PolarHBondContact O-N 3.3Å
6K72.3Confident79.9Confident153 Ų15378.9 Ų78.967%0.66542%0.417SS*.G310 helixtrans-108.221.7176.4-69.7-174.3-168.9151.40114.3D3 V4 N8D3-K6 PolarHBondContact O-N 3.3Å; D3-K6 IonicContact OD1-NZ 3.59Å; D3-K6 VanDerWaalsContact OD2-CD 3.3Å; D3-K6 WeakPolarHBondContact OD2-CD 3.45Å; D3-K6 VanDerWaalsContact OD2-CE 3.23Å; D3-K6 WeakPolarHBondContact OD2-CE 3.4Å; D3-K6 IonicContact OD2-NZ 3.95Å; D3-K6 PolarHBondContact OD2-NZ 2.88Å; V4-K6 PolarHBondContact O-N 2.67Å; K6-N8 PolarHBondContact O-N 2.76Å
7L90.1Very high81Confident40 Ų4076.5 Ų76.521%0.20940%0.404CS..  trans-68.3104177.6-168.165.4000110.4V4 I9 I12 G37 L38 I112V4-L7 PolarHBondContact O-N 3.02Å; L7-I9 VanDerWaalsContact C-N 3.3Å; L7-I9 HydrophobicContact CD2-CD1 3.46Å; L7-I9 VanDerWaalsContact CD2-CD1 3.46Å; L7-I9 HydrophobicContact CD2-CG1 4.24Å; L7-I9 HydrophobicContact CG-CD1 3.76Å; L7-I9 HydrophobicContact CG-CG1 4.22Å; L7-I9 PolarHBondContact O-N 2.99Å; L7-I12 HydrophobicContact CD1-CD1 3.52Å; L7-I12 HydrophobicContact CG-CD1 4.07Å; L7-G37 VanDerWaalsContact CD2-C 3.47Å; L7-L38 HydrophobicContact CD2-CD2 4.24Å; L7-I112 HydrophobicContact CD2-CD1 4.48Å
8N95.4Very high81.8Confident97 Ų9778.7 Ų78.752%0.51941%0.412SS..  trans-78.582175.7-171.2-23.1000110.1K6 D10 S11 I12K6-N8 PolarHBondContact O-N 2.76Å; N8-D10 VanDerWaalsContact C-N 3.28Å; N8-D10 PolarHBondContact O-N 3.46Å; N8-D10 PolarHBondContact OD1-N 3.29Å; N8-S11 VanDerWaalsContact CG-CB 3.48Å; N8-S11 PolarHBondContact O-N 3.22Å; N8-S11 WeakPolarHBondContact OD1-CB 3.47Å; N8-S11 PolarHBondContact OD1-N 2.89Å; N8-I12 WeakPolarHBondContact O-CG1 3.36Å; N8-I12 PolarHBondContact O-N 2.93Å; N8-I12 VanDerWaalsContact O-N 3.16Å
9I97.7Very high82.5Confident20 Ų2074.9 Ų74.910%0.10339%0.392CS..Hα-helixtrans-57.4-40.4-178.6-68.7-66000111.8L7 S11 I12 I13 L38 I112 K113L7-I9 VanDerWaalsContact C-N 3.3Å; L7-I9 HydrophobicContact CD2-CD1 3.46Å; L7-I9 VanDerWaalsContact CD2-CD1 3.46Å; L7-I9 HydrophobicContact CD2-CG1 4.24Å; L7-I9 HydrophobicContact CG-CD1 3.76Å; L7-I9 HydrophobicContact CG-CG1 4.22Å; L7-I9 PolarHBondContact O-N 2.99Å; I9-S11 PolarHBondContact O-N 3.03Å; I9-I12 PolarHBondContact O-N 2.84Å; I9-I12 VanDerWaalsContact O-N 3.15Å; I9-I13 HydrophobicContact CG2-CD1 3.64Å; I9-I13 HydrophobicContact CG2-CG1 4.22Å; I9-I13 WeakPolarHBondContact O-CG1 3.37Å; I9-I13 PolarHBondContact O-N 2.82Å; I9-L38 HydrophobicContact CD1-CD2 3.59Å; I9-I112 HydrophobicContact CD1-CB 4.08Å; I9-I112 HydrophobicContact CD1-CD1 3.83Å; I9-I112 HydrophobicContact CD1-CG2 3.79Å; I9-I112 HydrophobicContact CG1-CB 4.49Å; I9-I112 HydrophobicContact CG1-CG2 3.79Å; I9-K113 HydrophobicContact CG2-CB 3.98Å; I9-K113 HydrophobicContact CG2-CD 4.2Å
10D97.7Very high83Confident84 Ų8476.5 Ų76.545%0.44939%0.393SS..Hα-helixtrans-64.3-41.9-178.2-66.6-23.8000111.5N8 I12 I13 Q14 K113N8-D10 VanDerWaalsContact C-N 3.28Å; N8-D10 PolarHBondContact O-N 3.46Å; N8-D10 PolarHBondContact OD1-N 3.29Å; D10-I12 VanDerWaalsContact C-N 3.34Å; D10-I12 PolarHBondContact O-N 3.28Å; D10-I13 PolarHBondContact O-N 2.99Å; D10-Q14 VanDerWaalsContact O-CB 3.31Å; D10-Q14 WeakPolarHBondContact O-CB 3.46Å; D10-Q14 PolarHBondContact O-N 3.37Å; D10-K113 VanDerWaalsContact CG-NZ 3.3Å; D10-K113 WeakPolarHBondContact OD1-CD 3.1Å; D10-K113 WeakPolarHBondContact OD1-CE 3.4Å; D10-K113 IonicContact OD1-NZ 2.73Å; D10-K113 PolarHBondContact OD1-NZ 2.88Å; D10-K113 IonicContact OD2-NZ 3.74Å; D10-K113 PolarHBondContact OD2-NZ 3.19Å; D10-K113 VanDerWaalsContact OD2-NZ 3.12Å
11S97.9Very high83.2Confident42 Ų4276.9 Ų76.929%0.29442%0.416SS..Hα-helixtrans-65.1-35.1174.2174.60000113N8 I9 R15N8-S11 VanDerWaalsContact CG-CB 3.48Å; N8-S11 PolarHBondContact O-N 3.22Å; N8-S11 WeakPolarHBondContact OD1-CB 3.47Å; N8-S11 PolarHBondContact OD1-N 2.89Å; I9-S11 PolarHBondContact O-N 3.03Å; S11-R15 WeakPolarHBondContact O-CG 3.41Å; S11-R15 PolarHBondContact O-N 3.09Å; S11-R15 PolarHBondContact O-NE 2.85Å; S11-R15 PolarHBondContact OG-NH2 2.85Å
12I98.5Very high85.7Confident0 Ų066.5 Ų66.50%037%0.369CS..Hα-helixtrans-67.9-49.5176.3-69.6168.1000110.2L7 N8 I9 D10 Q14 R15 L16 L30 E34 L38 A109L7-I12 HydrophobicContact CD1-CD1 3.52Å; L7-I12 HydrophobicContact CG-CD1 4.07Å; N8-I12 WeakPolarHBondContact O-CG1 3.36Å; N8-I12 PolarHBondContact O-N 2.93Å; N8-I12 VanDerWaalsContact O-N 3.16Å; I9-I12 PolarHBondContact O-N 2.84Å; I9-I12 VanDerWaalsContact O-N 3.15Å; D10-I12 VanDerWaalsContact C-N 3.34Å; D10-I12 PolarHBondContact O-N 3.28Å; I12-Q14 VanDerWaalsContact C-N 3.33Å; I12-Q14 PolarHBondContact O-N 3.4Å; I12-R15 PolarHBondContact O-N 2.82Å; I12-L16 HydrophobicContact CG2-CD1 3.75Å; I12-L16 WeakPolarHBondContact O-CB 3.25Å; I12-L16 WeakPolarHBondContact O-CG 3.23Å; I12-L16 PolarHBondContact O-N 2.81Å; I12-L30 HydrophobicContact CG2-CD1 4.01Å; I12-L30 HydrophobicContact CG2-CD2 4.16Å; I12-E34 HydrophobicContact CD1-CB 3.95Å; I12-E34 HydrophobicContact CD1-CG 4.35Å; I12-E34 HydrophobicContact CG1-CB 4.47Å; I12-L38 HydrophobicContact CD1-CD2 4.28Å; I12-L38 HydrophobicContact CD1-CG 4.47Å; I12-L38 HydrophobicContact CG2-CD1 4.15Å; I12-L38 HydrophobicContact CG2-CD2 4.41Å; I12-A109 HydrophobicContact CG2-CB 4.43Å
13I98.6Very high88.2Confident16 Ų1670.9 Ų70.98%0.08237%0.372CS..Hα-helixtrans-58.8-47.2177.6-67.8172.1000109.9I9 D10 R15 L16 L17 A109 Y110 K113I9-I13 HydrophobicContact CG2-CD1 3.64Å; I9-I13 HydrophobicContact CG2-CG1 4.22Å; I9-I13 WeakPolarHBondContact O-CG1 3.37Å; I9-I13 PolarHBondContact O-N 2.82Å; D10-I13 PolarHBondContact O-N 2.99Å; I13-R15 PolarHBondContact O-N 3.27Å; I13-L16 WeakPolarHBondContact O-CB 3.48Å; I13-L16 PolarHBondContact O-N 2.86Å; I13-L16 VanDerWaalsContact O-N 3.16Å; I13-L17 HydrophobicContact CG2-CD1 3.74Å; I13-L17 HydrophobicContact CG2-CG 4.17Å; I13-L17 WeakPolarHBondContact O-CG 3.48Å; I13-L17 PolarHBondContact O-N 3.28Å; I13-A109 HydrophobicContact CD1-CB 4.23Å; I13-A109 HydrophobicContact CG1-CB 3.66Å; I13-Y110 HydrophobicContact CD1-CD1 4.05Å; I13-Y110 HydrophobicContact CD1-CE1 4.17Å; I13-Y110 HydrophobicContact CG2-CE1 3.98Å; I13-K113 HydrophobicContact CD1-CB 3.99Å; I13-K113 HydrophobicContact CD1-CG 4.19Å
14Q98.2Very high90.3Very high119 Ų11970.8 Ų70.856%0.55638%0.377SS*.Hα-helixtrans-55.2-51.3179-174.9-175.5-19.400111.7D10 I12 L16 L17 E18D10-Q14 VanDerWaalsContact O-CB 3.31Å; D10-Q14 WeakPolarHBondContact O-CB 3.46Å; D10-Q14 PolarHBondContact O-N 3.37Å; I12-Q14 VanDerWaalsContact C-N 3.33Å; I12-Q14 PolarHBondContact O-N 3.4Å; Q14-L16 VanDerWaalsContact C-N 3.31Å; Q14-L16 PolarHBondContact O-N 3.11Å; Q14-L17 PolarHBondContact O-N 3.24Å; Q14-L17 VanDerWaalsContact O-N 3.12Å; Q14-E18 PolarHBondContact NE2-OE1 3.1Å; Q14-E18 VanDerWaalsContact O-CG 3.31Å; Q14-E18 WeakPolarHBondContact O-CG 3.06Å; Q14-E18 PolarHBondContact O-N 3.19Å
15R98.3Very high92.3Very high53 Ų5370.2 Ų70.220%0.238%0.382CS..Hα-helixtrans-62.4-36.3178.6-77.7177.5-72.4158.9-8.6113.2S11 I12 I13 V28 E34S11-R15 WeakPolarHBondContact O-CG 3.41Å; S11-R15 PolarHBondContact O-N 3.09Å; S11-R15 PolarHBondContact O-NE 2.85Å; S11-R15 PolarHBondContact OG-NH2 2.85Å; I12-R15 PolarHBondContact O-N 2.82Å; I13-R15 PolarHBondContact O-N 3.27Å; R15-V28 HydrophobicContact CB-CG1 4.23Å; R15-V28 WeakPolarHBondContact O-CG1 3.41Å; R15-E34 IonicContact CZ-OE1 3.48Å; R15-E34 IonicContact CZ-OE2 3.35Å; R15-E34 IonicContact NH1-OE1 3.92Å; R15-E34 PolarHBondContact NH1-OE1 3.35Å; R15-E34 VanDerWaalsContact NH1-OE1 3.16Å; R15-E34 IonicContact NH1-OE2 3.34Å; R15-E34 PolarHBondContact NH1-OE2 3.01Å; R15-E34 IonicContact NH2-OE1 3.92Å; R15-E34 PolarHBondContact NH2-OE1 2.92Å; R15-E34 IonicContact NH2-OE2 3.19Å
16L98.4Very high94.2Very high1 Ų168.6 Ų68.61%0.00537%0.368CS..Hα-helixtrans-63.9-42.6174.6-75.9165.2000110.6I12 I13 Q14 V19 V28 L30 Y69 E102 C105 L106I12-L16 HydrophobicContact CG2-CD1 3.75Å; I12-L16 WeakPolarHBondContact O-CB 3.25Å; I12-L16 WeakPolarHBondContact O-CG 3.23Å; I12-L16 PolarHBondContact O-N 2.81Å; I13-L16 WeakPolarHBondContact O-CB 3.48Å; I13-L16 PolarHBondContact O-N 2.86Å; I13-L16 VanDerWaalsContact O-N 3.16Å; Q14-L16 VanDerWaalsContact C-N 3.31Å; Q14-L16 PolarHBondContact O-N 3.11Å; L16-V19 WeakPolarHBondContact O-CG2 3.35Å; L16-V28 HydrophobicContact CD2-CB 4.11Å; L16-V28 HydrophobicContact CD2-CG1 4.02Å; L16-V28 HydrophobicContact CD2-CG2 4.36Å; L16-V28 HydrophobicContact CG-CG1 4.36Å; L16-L30 HydrophobicContact CD1-CD1 4.27Å; L16-L30 HydrophobicContact CD2-CD1 4.22Å; L16-L30 HydrophobicContact CG-CD1 4.35Å; L16-Y69 VanDerWaalsContact C-OH 3.24Å; L16-Y69 WeakPolarHBondContact CB-OH 3.14Å; L16-Y69 PolarHBondContact O-OH 3.44Å; L16-E102 HydrophobicContact CD2-CB 4.36Å; L16-E102 HydrophobicContact CD2-CG 4.39Å; L16-C105 HydrophobicContact CD1-CB 4.21Å; L16-C105 HydrophobicContact CD2-CB 4.39Å; L16-L106 HydrophobicContact CB-CD1 4.06Å; L16-L106 HydrophobicContact CD1-CB 4.08Å; L16-L106 HydrophobicContact CD1-CD1 4.16Å
17L98.1Very high95.4Very high37 Ų3764.8 Ų64.819%0.19436%0.355CS..Hα-helixtrans-79.7-18.5-178.7-61.2-178.8000114.7I13 Q14 V19 R20 L73 F81 L106 Y110I13-L17 HydrophobicContact CG2-CD1 3.74Å; I13-L17 HydrophobicContact CG2-CG 4.17Å; I13-L17 WeakPolarHBondContact O-CG 3.48Å; I13-L17 PolarHBondContact O-N 3.28Å; Q14-L17 PolarHBondContact O-N 3.24Å; Q14-L17 VanDerWaalsContact O-N 3.12Å; L17-V19 PolarHBondContact O-N 3.25Å; L17-V19 VanDerWaalsContact O-N 3.08Å; L17-R20 WeakPolarHBondContact O-CB 3.42Å; L17-R20 WeakPolarHBondContact O-CD 3.47Å; L17-R20 WeakPolarHBondContact O-CG 3.45Å; L17-R20 PolarHBondContact O-N 2.83Å; L17-R20 VanDerWaalsContact O-N 3.14Å; L17-L73 HydrophobicContact CD2-CD2 3.66Å; L17-F81 HydrophobicContact CD1-CD1 4.48Å; L17-F81 HydrophobicContact CD2-CD1 4.34Å; L17-F81 HydrophobicContact CD2-CE1 3.74Å; L17-L106 HydrophobicContact CD2-CD1 4.13Å; L17-L106 HydrophobicContact CD2-CD2 4.03Å; L17-Y110 WeakPolarHBondContact CD1-OH 3.43Å
18E95.8Very high95.7Very high117 Ų11763.4 Ų63.455%0.54735%0.348SS..THydrogen-bonded Turntrans-60.2-20.1-179.8-85.1169-169.100113.9Q14Q14-E18 PolarHBondContact NE2-OE1 3.1Å; Q14-E18 VanDerWaalsContact O-CG 3.31Å; Q14-E18 WeakPolarHBondContact O-CG 3.06Å; Q14-E18 PolarHBondContact O-N 3.19Å
19V95.4Very high95.6Very high6 Ų665.1 Ų65.14%0.03635%0.353CS..THydrogen-bonded Turntrans-86.2-1.5179.9-56.70000114.3L16 L17 G21 A22 K26 V28 Y69 Y70 L73L16-V19 WeakPolarHBondContact O-CG2 3.35Å; L17-V19 PolarHBondContact O-N 3.25Å; L17-V19 VanDerWaalsContact O-N 3.08Å; V19-G21 VanDerWaalsContact C-N 3.28Å; V19-G21 PolarHBondContact O-N 2.84Å; V19-A22 HydrophobicContact CB-CB 4.28Å; V19-A22 VanDerWaalsContact O-CB 3.28Å; V19-A22 WeakPolarHBondContact O-CB 3.35Å; V19-A22 PolarHBondContact O-N 2.78Å; V19-K26 HydrophobicContact CG1-CD 4.03Å; V19-K26 HydrophobicContact CG1-CG 4.26Å; V19-V28 HydrophobicContact CB-CG2 4.41Å; V19-V28 HydrophobicContact CG1-CG2 3.61Å; V19-V28 HydrophobicContact CG2-CG2 3.88Å; V19-Y69 HydrophobicContact CG2-CD1 4.47Å; V19-Y69 HydrophobicContact CG2-CE1 3.71Å; V19-Y70 WeakPolarHBondContact O-CE1 3.37Å; V19-L73 HydrophobicContact CG2-CD1 4.25Å
20R92.5Very high95.6Very high107 Ų10764.3 Ų64.340%0.40435%0.349SS..THydrogen-bonded Turntrans-52.6-42179.1-75.2170.661.5-165.6-4113.7L17 A22 L73 E77 F81L17-R20 WeakPolarHBondContact O-CB 3.42Å; L17-R20 WeakPolarHBondContact O-CD 3.47Å; L17-R20 WeakPolarHBondContact O-CG 3.45Å; L17-R20 PolarHBondContact O-N 2.83Å; L17-R20 VanDerWaalsContact O-N 3.14Å; R20-A22 VanDerWaalsContact C-N 3.34Å; R20-L73 HydrophobicContact CG-CB 4.31Å; R20-L73 HydrophobicContact CG-CD1 3.84Å; R20-L73 HydrophobicContact CG-CD2 4.12Å; R20-L73 HydrophobicContact CG-CG 4.32Å; R20-E77 IonicContact CZ-OE1 3.53Å; R20-E77 VanDerWaalsContact CZ-OE1 3.25Å; R20-E77 IonicContact NE-OE1 2.85Å; R20-E77 PolarHBondContact NE-OE1 2.9Å; R20-E77 IonicContact NH2-OE1 2.75Å; R20-E77 PolarHBondContact NH2-OE1 3.36Å; R20-F81 VanDerWaalsContact CZ-CE2 3.49Å; R20-F81 VanDerWaalsContact CZ-CZ 3.47Å
21G88.2Confident95.7Very high85 Ų8565.7 Ų65.788%0.87635%0.353SS*.THydrogen-bonded Turntrans-85.9-1.8177.200000114.7V19V19-G21 VanDerWaalsContact C-N 3.28Å; V19-G21 PolarHBondContact O-N 2.84Å
22A92.6Very high95.7Very high29 Ų2967.3 Ų67.324%0.2436%0.356CS..SBendtrans-85.8167.5-178.700000111.8V19 R20 K26V19-A22 HydrophobicContact CB-CB 4.28Å; V19-A22 VanDerWaalsContact O-CB 3.28Å; V19-A22 WeakPolarHBondContact O-CB 3.35Å; V19-A22 PolarHBondContact O-N 2.78Å; R20-A22 VanDerWaalsContact C-N 3.34Å; A22-K26 HydrophobicContact CB-CB 4.26Å; A22-K26 HydrophobicContact CB-CD 3.62Å
23K91.6Very high95.6Very high177 Ų17772.2 Ų72.277%0.7738%0.382SS*.PPolyproline II helixtrans-60.4130.6172.9-176-179.1176.7-1770109.8G25 K26 Y70K23-G25 PolarHBondContact O-N 2.9Å; K23-K26 PolarHBondContact O-N 2.82Å; K23-Y70 PolarHBondContact O-OH 3.38Å
24P93.1Very high95.6Very high94 Ų9472.8 Ų72.861%0.6138%0.384SS*.THydrogen-bonded Turntrans-49.4135.2175-30.336.2000112.9Y70P24-Y70 HydrophobicContact CB-CD1 4.02Å; P24-Y70 HydrophobicContact CB-CD2 4.29Å; P24-Y70 HydrophobicContact CB-CE1 4.37Å; P24-Y70 HydrophobicContact CB-CG 3.97Å; P24-Y70 HydrophobicContact CG-CD1 4.04Å; P24-Y70 HydrophobicContact CG-CE1 4.43Å; P24-Y70 HydrophobicContact CG-CG 4.42Å
25G92.4Very high95.6Very high43 Ų4367.2 Ų67.244%0.44336%0.358SS..THydrogen-bonded Turntrans95.4-2.7-173.900000115.4K23 N27 Q99K23-G25 PolarHBondContact O-N 2.9Å; G25-N27 PolarHBondContact O-N 2.92Å; G25-Q99 VanDerWaalsContact CA-OE1 3.28Å
26K96.1Very high95.6Very high120 Ų12069.9 Ų69.952%0.52237%0.368SS..  trans-67.9124.1171.1-177.4-176.5176.4-172.90109.2V19 A22 K23 Y70 Q99V19-K26 HydrophobicContact CG1-CD 4.03Å; V19-K26 HydrophobicContact CG1-CG 4.26Å; A22-K26 HydrophobicContact CB-CB 4.26Å; A22-K26 HydrophobicContact CB-CD 3.62Å; K23-K26 PolarHBondContact O-N 2.82Å; K26-Y70 WeakPolarHBondContact CB-OH 3.37Å; K26-Y70 PolarHBondContact N-OH 3.01Å; K26-Y70 PolarHBondContact O-OH 2.89Å; K26-Q99 PolarHBondContact O-NE2 2.73Å
27N96.8Very high95.6Very high74 Ų7470.1 Ų70.140%0.39637%0.37SS..  trans-75154.1177-66.9-18000111.8G25 Q99 E102G25-N27 PolarHBondContact O-N 2.92Å; N27-Q99 PolarHBondContact OD1-NE2 2.87Å; N27-E102 VanDerWaalsContact CA-OE1 3.24Å; N27-E102 WeakPolarHBondContact CA-OE1 3.42Å; N27-E102 WeakPolarHBondContact CB-OE1 3.31Å
28V97.1Very high95.6Very high11 Ų1168.3 Ų68.37%0.06736%0.361CS..  trans-107.1124.6168.5-178.60000108R15 L16 V19 L30 E102 R143R15-V28 HydrophobicContact CB-CG1 4.23Å; R15-V28 WeakPolarHBondContact O-CG1 3.41Å; L16-V28 HydrophobicContact CD2-CB 4.11Å; L16-V28 HydrophobicContact CD2-CG1 4.02Å; L16-V28 HydrophobicContact CD2-CG2 4.36Å; L16-V28 HydrophobicContact CG-CG1 4.36Å; V19-V28 HydrophobicContact CB-CG2 4.41Å; V19-V28 HydrophobicContact CG1-CG2 3.61Å; V19-V28 HydrophobicContact CG2-CG2 3.88Å; V28-L30 HydrophobicContact CG1-CD2 4.21Å; V28-L30 HydrophobicContact CG1-CG 4.39Å; V28-L30 PolarHBondContact O-N 3.43Å; V28-E102 HydrophobicContact CB-CG 3.96Å; V28-E102 HydrophobicContact CG2-CG 4.12Å; V28-E102 PolarHBondContact N-OE1 3.04Å; V28-R143 PolarHBondContact O-NH2 3.37Å
29Q93.3Very high95.8Very high132 Ų13262.8 Ų62.862%0.61734%0.335SS*.  trans-93.393.8-178.7-165.66825.900110.1
30L97.9Very high95.9Very high4 Ų465.1 Ų65.12%0.02135%0.347CS..  trans-85.9150.3166.4-59.1-178.9000110I12 L16 V28 I35 L38 C105 Y144I12-L30 HydrophobicContact CG2-CD1 4.01Å; I12-L30 HydrophobicContact CG2-CD2 4.16Å; L16-L30 HydrophobicContact CD1-CD1 4.27Å; L16-L30 HydrophobicContact CD2-CD1 4.22Å; L16-L30 HydrophobicContact CG-CD1 4.35Å; V28-L30 HydrophobicContact CG1-CD2 4.21Å; V28-L30 HydrophobicContact CG1-CG 4.39Å; V28-L30 PolarHBondContact O-N 3.43Å; L30-I35 HydrophobicContact CB-CD1 4.1Å; L30-I35 HydrophobicContact CB-CG1 3.82Å; L30-I35 HydrophobicContact CD1-CG1 4.19Å; L30-L38 HydrophobicContact CD1-CD1 4.45Å; L30-C105 HydrophobicContact CD1-CB 3.89Å; L30-Y144 WeakPolarHBondContact O-CE1 3.49Å; L30-Y144 PolarHBondContact O-OH 3Å
31Q98Very high96.2Very high113 Ų11363.7 Ų63.753%0.52834%0.344SS..  trans-74.2149.6172.4-54.1179.617.300110N33 E34 I35Q31-N33 VanDerWaalsContact C-N 3.28Å; Q31-N33 WeakPolarHBondContact CB-OD1 3.45Å; Q31-N33 PolarHBondContact O-N 3.19Å; Q31-N33 PolarHBondContact OE1-OD1 2.62Å; Q31-E34 HydrophobicContact CB-CG 4.01Å; Q31-E34 PolarHBondContact N-OE2 2.91Å; Q31-E34 WeakPolarHBondContact O-CB 3.39Å; Q31-E34 PolarHBondContact O-N 3.42Å; Q31-I35 PolarHBondContact O-N 2.95Å; Q31-I35 VanDerWaalsContact O-N 3.15Å
32E98.1Very high96.7Very high76 Ų7659.6 Ų59.636%0.35530%0.302SS..Hα-helixtrans-58.7-38.6-177.8-177.4-178.7155.300112.8E34 I35 R36 Y144 N145 L148E32-E34 VanDerWaalsContact C-N 3.32Å; E32-E34 PolarHBondContact O-N 2.82Å; E32-I35 PolarHBondContact O-N 3.21Å; E32-R36 WeakPolarHBondContact O-CB 3.18Å; E32-R36 PolarHBondContact O-N 2.99Å; E32-Y144 HydrophobicContact CB-CD1 4.09Å; E32-N145 PolarHBondContact OE1-ND2 2.79Å; E32-N145 PolarHBondContact OE2-ND2 3.18Å; E32-L148 HydrophobicContact CG-CD1 4.23Å; E32-L148 HydrophobicContact CG-CD2 4.48Å
33N97.3Very high97Very high102 Ų10261.7 Ų61.755%0.54530%0.304SS..Hα-helixtrans-65.3-33.3175.759.2-40.5000112.7Q31 G37Q31-N33 VanDerWaalsContact C-N 3.28Å; Q31-N33 WeakPolarHBondContact CB-OD1 3.45Å; Q31-N33 PolarHBondContact O-N 3.19Å; Q31-N33 PolarHBondContact OE1-OD1 2.62Å; N33-G37 PolarHBondContact O-N 3.39Å
34E98.3Very high97.4Very high28 Ų2857.7 Ų57.713%0.13129%0.288CS..Hα-helixtrans-65.9-48.3174.5-64.5176.3134.600110.3I12 R15 Q31 E32 R36 G37 L38I12-E34 HydrophobicContact CD1-CB 3.95Å; I12-E34 HydrophobicContact CD1-CG 4.35Å; I12-E34 HydrophobicContact CG1-CB 4.47Å; R15-E34 IonicContact CZ-OE1 3.48Å; R15-E34 IonicContact CZ-OE2 3.35Å; R15-E34 IonicContact NH1-OE1 3.92Å; R15-E34 PolarHBondContact NH1-OE1 3.35Å; R15-E34 VanDerWaalsContact NH1-OE1 3.16Å; R15-E34 IonicContact NH1-OE2 3.34Å; R15-E34 PolarHBondContact NH1-OE2 3.01Å; R15-E34 IonicContact NH2-OE1 3.92Å; R15-E34 PolarHBondContact NH2-OE1 2.92Å; R15-E34 IonicContact NH2-OE2 3.19Å; Q31-E34 HydrophobicContact CB-CG 4.01Å; Q31-E34 PolarHBondContact N-OE2 2.91Å; Q31-E34 WeakPolarHBondContact O-CB 3.39Å; Q31-E34 PolarHBondContact O-N 3.42Å; E32-E34 VanDerWaalsContact C-N 3.32Å; E32-E34 PolarHBondContact O-N 2.82Å; E34-R36 PolarHBondContact O-N 3.26Å; E34-G37 WeakPolarHBondContact O-CA 3.43Å; E34-G37 PolarHBondContact O-N 3.41Å; E34-G37 VanDerWaalsContact O-N 3.1Å; E34-L38 WeakPolarHBondContact O-CG 3.32Å; E34-L38 PolarHBondContact O-N 2.92Å
35I98.7Very high97.6Very high2 Ų254.2 Ų54.21%0.0126%0.264CS..Hα-helixtrans-62.9-44.3178.3-58.4175.9000110.6L30 Q31 E32 G37 L38 C39 Y144 L148 F152L30-I35 HydrophobicContact CB-CD1 4.1Å; L30-I35 HydrophobicContact CB-CG1 3.82Å; L30-I35 HydrophobicContact CD1-CG1 4.19Å; Q31-I35 PolarHBondContact O-N 2.95Å; Q31-I35 VanDerWaalsContact O-N 3.15Å; E32-I35 PolarHBondContact O-N 3.21Å; I35-G37 VanDerWaalsContact C-N 3.26Å; I35-G37 PolarHBondContact O-N 3.04Å; I35-L38 WeakPolarHBondContact O-CB 3.03Å; I35-L38 PolarHBondContact O-N 3.03Å; I35-C39 PolarHBondContact O-N 2.85Å; I35-C39 PolarHBondContact O-SG 3.39Å; I35-C39 VanDerWaalsContact O-SG 3.39Å; I35-Y144 HydrophobicContact CD1-CD1 4.48Å; I35-Y144 HydrophobicContact CD1-CD2 4.29Å; I35-Y144 HydrophobicContact CD1-CE1 3.82Å; I35-Y144 HydrophobicContact CD1-CE2 3.61Å; I35-Y144 WeakPolarHBondContact CD1-OH 3.49Å; I35-L148 HydrophobicContact CB-CD1 4.13Å; I35-L148 HydrophobicContact CB-CD2 4.4Å; I35-L148 HydrophobicContact CD1-CD2 4.08Å; I35-L148 HydrophobicContact CG2-CD1 3.85Å; I35-L148 HydrophobicContact CG2-CD2 4.12Å; I35-L148 HydrophobicContact CG2-CG 4.32Å; I35-F152 HydrophobicContact CG2-CE1 4.18Å; I35-F152 HydrophobicContact CG2-CE2 3.63Å; I35-F152 HydrophobicContact CG2-CZ 3.26Å
36R98.5Very high97.9Very high110 Ų11052.2 Ų52.242%0.41524%0.243SC..Hα-helixtrans-59.5-40174.1178.6173.8175.6-152.9-4.8111.5E32 E34 C39 L40 T151E32-R36 WeakPolarHBondContact O-CB 3.18Å; E32-R36 PolarHBondContact O-N 2.99Å; E34-R36 PolarHBondContact O-N 3.26Å; R36-C39 PolarHBondContact O-N 2.96Å; R36-L40 HydrophobicContact CG-CD1 3.95Å; R36-L40 HydrophobicContact CG-CG 4.33Å; R36-L40 WeakPolarHBondContact O-CB 3.26Å; R36-L40 VanDerWaalsContact O-CG 3.26Å; R36-L40 WeakPolarHBondContact O-CG 3.44Å; R36-L40 PolarHBondContact O-N 2.91Å; R36-T151 HydrophobicContact CG-CG2 4.08Å
37G98.3Very high98.1Very high5 Ų549.6 Ų49.65%0.05223%0.234CC..Hα-helixtrans-60.3-45.1174.400000112.2L7 N33 E34 I35 L40 K41L7-G37 VanDerWaalsContact CD2-C 3.47Å; N33-G37 PolarHBondContact O-N 3.39Å; E34-G37 WeakPolarHBondContact O-CA 3.43Å; E34-G37 PolarHBondContact O-N 3.41Å; E34-G37 VanDerWaalsContact O-N 3.1Å; I35-G37 VanDerWaalsContact C-N 3.26Å; I35-G37 PolarHBondContact O-N 3.04Å; G37-L40 PolarHBondContact O-N 2.83Å; G37-K41 WeakPolarHBondContact O-CB 3.26Å; G37-K41 PolarHBondContact O-N 2.83Å
38L98.8Very high98.2Very high0 Ų050.6 Ų50.60%025%0.247CC..Hα-helixtrans-55.6-54.7173.9-65.9173.6000110.5L7 I9 I12 L30 E34 I35 L40 K41 S42 C105 L108 A109 I112L7-L38 HydrophobicContact CD2-CD2 4.24Å; I9-L38 HydrophobicContact CD1-CD2 3.59Å; I12-L38 HydrophobicContact CD1-CD2 4.28Å; I12-L38 HydrophobicContact CD1-CG 4.47Å; I12-L38 HydrophobicContact CG2-CD1 4.15Å; I12-L38 HydrophobicContact CG2-CD2 4.41Å; L30-L38 HydrophobicContact CD1-CD1 4.45Å; E34-L38 WeakPolarHBondContact O-CG 3.32Å; E34-L38 PolarHBondContact O-N 2.92Å; I35-L38 WeakPolarHBondContact O-CB 3.03Å; I35-L38 PolarHBondContact O-N 3.03Å; L38-L40 PolarHBondContact O-N 2.85Å; L38-K41 PolarHBondContact O-N 3.08Å; L38-S42 WeakPolarHBondContact O-CB 3.5Å; L38-S42 PolarHBondContact O-N 2.92Å; L38-S42 PolarHBondContact O-OG 3.07Å; L38-C105 HydrophobicContact CD1-CB 3.86Å; L38-L108 HydrophobicContact CB-CB 4.32Å; L38-A109 HydrophobicContact CD2-CB 3.85Å; L38-I112 HydrophobicContact CB-CD1 4.37Å; L38-I112 HydrophobicContact CD2-CD1 3.75Å
39C98.8Very high98.2Very high1 Ų151 Ų511%0.00725%0.248CC..Hα-helixtrans-58.3-45-178.9-64.60000112.9I35 R36 S42 R43 T151 F152 C155I35-C39 PolarHBondContact O-N 2.85Å; I35-C39 PolarHBondContact O-SG 3.39Å; I35-C39 VanDerWaalsContact O-SG 3.39Å; R36-C39 PolarHBondContact O-N 2.96Å; C39-S42 PolarHBondContact O-OG 3.46Å; C39-R43 WeakPolarHBondContact O-CB 3.39Å; C39-R43 PolarHBondContact O-N 3.25Å; C39-T151 HydrophobicContact CB-CG2 3.78Å; C39-F152 WeakPolarHBondContact SG-CD1 3.29Å; C39-F152 WeakPolarHBondContact SG-CE1 3.42Å; C39-C155 HydrophobicContact CB-CB 4.04Å
40L98.6Very high98.5Very high54 Ų5448.5 Ų48.528%0.28324%0.244SC..Hα-helixtrans-66-44.7-179.4-69.2174.5000111.2V4 R36 G37 L38 R43 E44V4-L40 HydrophobicContact CG2-CD1 4.14Å; R36-L40 HydrophobicContact CG-CD1 3.95Å; R36-L40 HydrophobicContact CG-CG 4.33Å; R36-L40 WeakPolarHBondContact O-CB 3.26Å; R36-L40 VanDerWaalsContact O-CG 3.26Å; R36-L40 WeakPolarHBondContact O-CG 3.44Å; R36-L40 PolarHBondContact O-N 2.91Å; G37-L40 PolarHBondContact O-N 2.83Å; L38-L40 PolarHBondContact O-N 2.85Å; L40-R43 WeakPolarHBondContact O-CB 3.25Å; L40-R43 PolarHBondContact O-N 3.11Å; L40-E44 WeakPolarHBondContact O-CG 3.37Å; L40-E44 PolarHBondContact O-N 3.24Å; L40-E44 VanDerWaalsContact O-N 3.13Å
41K98.6Very high98.6Very high77 Ų7748.7 Ų48.734%0.33525%0.245SC..Hα-helixtrans-73.1-40.8-176.3-16857.9175178.20112.6G37 L38 R43 E44 I45 I112G37-K41 WeakPolarHBondContact O-CB 3.26Å; G37-K41 PolarHBondContact O-N 2.83Å; L38-K41 PolarHBondContact O-N 3.08Å; K41-R43 VanDerWaalsContact C-N 3.32Å; K41-R43 PolarHBondContact O-N 2.95Å; K41-E44 VanDerWaalsContact CD-OE2 3.3Å; K41-E44 WeakPolarHBondContact CD-OE2 3.01Å; K41-E44 IonicContact NZ-OE2 2.72Å; K41-E44 PolarHBondContact NZ-OE2 3.34Å; K41-E44 WeakPolarHBondContact O-CB 3.26Å; K41-E44 PolarHBondContact O-N 3.47Å; K41-I45 WeakPolarHBondContact O-CG1 3.15Å; K41-I45 PolarHBondContact O-N 2.89Å; K41-I112 HydrophobicContact CB-CD1 3.87Å; K41-I112 HydrophobicContact CB-CG1 4.15Å; K41-I112 HydrophobicContact CG-CD1 4.25Å; K41-I112 HydrophobicContact CG-CG1 4.08Å; K41-I112 HydrophobicContact CG-CG2 3.86Å
42S98.8Very high98.6Very high0 Ų043.4 Ų43.40%022%0.22CC..Hα-helixtrans-64.8-38.3173.861.20000111.5L38 C39 E44 I45 F46 C155L38-S42 WeakPolarHBondContact O-CB 3.5Å; L38-S42 PolarHBondContact O-N 2.92Å; L38-S42 PolarHBondContact O-OG 3.07Å; C39-S42 PolarHBondContact O-OG 3.46Å; S42-E44 VanDerWaalsContact C-N 3.34Å; S42-E44 PolarHBondContact O-N 3.28Å; S42-I45 PolarHBondContact O-N 2.7Å; S42-I45 VanDerWaalsContact O-N 3.16Å; S42-F46 WeakPolarHBondContact O-CD2 3.48Å; S42-F46 VanDerWaalsContact O-CG 3.24Å; S42-F46 WeakPolarHBondContact O-CG 3.19Å; S42-F46 PolarHBondContact O-N 2.94Å; S42-C155 PolarHBondContact OG-SG 2.8Å
43R98.8Very high98.6Very high73 Ų7340 Ų4028%0.27520%0.204SC..Hα-helixtrans-58.7-43.3174.8-178.1-176.9176-77.9-3.1112.4C39 L40 K41 I45 F46 L47 D154 C155 C158C39-R43 WeakPolarHBondContact O-CB 3.39Å; C39-R43 PolarHBondContact O-N 3.25Å; L40-R43 WeakPolarHBondContact O-CB 3.25Å; L40-R43 PolarHBondContact O-N 3.11Å; K41-R43 VanDerWaalsContact C-N 3.32Å; K41-R43 PolarHBondContact O-N 2.95Å; R43-I45 VanDerWaalsContact C-N 3.33Å; R43-F46 PolarHBondContact O-N 2.83Å; R43-L47 HydrophobicContact CG-CD1 4.3Å; R43-L47 WeakPolarHBondContact O-CG 3.32Å; R43-L47 PolarHBondContact O-N 2.81Å; R43-D154 WeakPolarHBondContact CD-O 3.39Å; R43-D154 PolarHBondContact NE-O 3.41Å; R43-C155 HydrophobicContact CB-CB 4.49Å; R43-C158 HydrophobicContact CG-CB 3.91Å; R43-C158 VanDerWaalsContact CG-SG 3.56Å; R43-C158 PolarHBondContact NE-SG 2.88Å; R43-C158 VanDerWaalsContact NE-SG 3.44Å
44E98.7Very high98.7Very high93 Ų9339.9 Ų39.944%0.43520%0.2SC..Hα-helixtrans-57-47.9173.6-71.9169-166.800111.2L40 K41 S42 L47 S48L40-E44 WeakPolarHBondContact O-CG 3.37Å; L40-E44 PolarHBondContact O-N 3.24Å; L40-E44 VanDerWaalsContact O-N 3.13Å; K41-E44 VanDerWaalsContact CD-OE2 3.3Å; K41-E44 WeakPolarHBondContact CD-OE2 3.01Å; K41-E44 IonicContact NZ-OE2 2.72Å; K41-E44 PolarHBondContact NZ-OE2 3.34Å; K41-E44 WeakPolarHBondContact O-CB 3.26Å; K41-E44 PolarHBondContact O-N 3.47Å; S42-E44 VanDerWaalsContact C-N 3.34Å; S42-E44 PolarHBondContact O-N 3.28Å; E44-L47 PolarHBondContact O-N 3.38Å; E44-S48 PolarHBondContact O-N 3.17Å; E44-S48 PolarHBondContact O-OG 3.02Å
45I98.8Very high98.7Very high20 Ų2039.3 Ų39.310%0.10320%0.198CC..Hα-helixtrans-63.3-44.7179.9-63.3166000111.2K41 S42 R43 L47 S48 Q49 K111 I112 P115K41-I45 WeakPolarHBondContact O-CG1 3.15Å; K41-I45 PolarHBondContact O-N 2.89Å; S42-I45 PolarHBondContact O-N 2.7Å; S42-I45 VanDerWaalsContact O-N 3.16Å; R43-I45 VanDerWaalsContact C-N 3.33Å; I45-L47 VanDerWaalsContact C-N 3.29Å; I45-L47 PolarHBondContact O-N 2.87Å; I45-S48 WeakPolarHBondContact CA-OG 3.31Å; I45-S48 PolarHBondContact O-N 3.44Å; I45-S48 PolarHBondContact O-OG 3.07Å; I45-Q49 PolarHBondContact O-N 3.2Å; I45-K111 HydrophobicContact CG2-CD 4.46Å; I45-K111 HydrophobicContact CG2-CG 4.48Å; I45-I112 HydrophobicContact CD1-CB 4.25Å; I45-I112 HydrophobicContact CD1-CG1 4.01Å; I45-I112 HydrophobicContact CD1-CG2 4.45Å; I45-P115 HydrophobicContact CG2-CB 3.95Å
46F98.9Very high98.7Very high1 Ų146.7 Ų46.70%0.00423%0.233CC..Hα-helixtrans-61.8-39.3178.5-62.2-48.9000111.9S42 R43 Q49 L108 K111 L120 C158 L159 R191S42-F46 WeakPolarHBondContact O-CD2 3.48Å; S42-F46 VanDerWaalsContact O-CG 3.24Å; S42-F46 WeakPolarHBondContact O-CG 3.19Å; S42-F46 PolarHBondContact O-N 2.94Å; R43-F46 PolarHBondContact O-N 2.83Å; F46-Q49 PolarHBondContact O-N 2.81Å; F46-L108 HydrophobicContact CE2-CD2 3.92Å; F46-L108 HydrophobicContact CZ-CD2 3.91Å; F46-K111 HydrophobicContact CD1-CG 4.44Å; F46-K111 HydrophobicContact CE1-CD 4.01Å; F46-K111 HydrophobicContact CE1-CG 3.66Å; F46-K111 HydrophobicContact CZ-CG 3.93Å; F46-L120 HydrophobicContact CE1-CB 4.3Å; F46-L120 HydrophobicContact CZ-CB 4.44Å; F46-L120 HydrophobicContact CZ-CD1 4.15Å; F46-C158 HydrophobicContact CB-CB 4.26Å; F46-C158 VanDerWaalsContact CB-O 3.23Å; F46-C158 WeakPolarHBondContact CB-O 3.48Å; F46-L159 HydrophobicContact CD1-CD2 4.18Å; F46-L159 HydrophobicContact CD2-CD2 4.1Å; F46-L159 HydrophobicContact CE1-CD2 3.68Å; F46-L159 HydrophobicContact CE2-CD2 3.61Å; F46-L159 HydrophobicContact CE2-CG 4.37Å; F46-L159 HydrophobicContact CG-CD2 4.39Å; F46-L159 HydrophobicContact CZ-CD2 3.39Å; F46-R191 VanDerWaalsContact O-CZ 3.27Å; F46-R191 PolarHBondContact O-NH1 3.42Å; F46-R191 PolarHBondContact O-NH2 2.73Å; F46-R191 VanDerWaalsContact O-NH2 3.08Å
47L98.8Very high98.7Very high65 Ų6542.2 Ų42.234%0.3422%0.219SC..Hα-helixtrans-72-27.6177-72.2174.7000113.1R43 E44 I45 C158 R191R43-L47 HydrophobicContact CG-CD1 4.3Å; R43-L47 WeakPolarHBondContact O-CG 3.32Å; R43-L47 PolarHBondContact O-N 2.81Å; E44-L47 PolarHBondContact O-N 3.38Å; I45-L47 VanDerWaalsContact C-N 3.29Å; I45-L47 PolarHBondContact O-N 2.87Å; L47-C158 HydrophobicContact CD2-CB 4.08Å; L47-C158 HydrophobicContact CG-CB 4.05Å; L47-R191 HydrophobicContact CD2-CB 3.73Å
48S98.8Very high98.7Very high96 Ų9644.8 Ų44.867%0.67124%0.235SC*.Hα-helixtrans-77.4-24.5174.262.30000113.4E44 I45E44-S48 PolarHBondContact O-N 3.17Å; E44-S48 PolarHBondContact O-OG 3.02Å; I45-S48 WeakPolarHBondContact CA-OG 3.31Å; I45-S48 PolarHBondContact O-N 3.44Å; I45-S48 PolarHBondContact O-OG 3.07Å
49Q98.8Very high98.7Very high18 Ų1845 Ų458%0.08424%0.236CC..SBendtrans-91.2154.7176.2-70.4-178.7-17.400111.3I45 F46 L53 K111 P115 E116 R191I45-Q49 PolarHBondContact O-N 3.2Å; F46-Q49 PolarHBondContact O-N 2.81Å; Q49-L53 HydrophobicContact CB-CD2 4.29Å; Q49-K111 VanDerWaalsContact OE1-CE 3.3Å; Q49-P115 PolarHBondContact NE2-O 3.13Å; Q49-E116 PolarHBondContact NE2-OE1 2.92Å; Q49-R191 PolarHBondContact O-NH2 3.06Å
50P98.8Very high98.7Very high80 Ų8046.5 Ų46.552%0.51924%0.242SC..  trans-57.2153.8175.7-2737.2000113.6L52 L53P50-L52 WeakPolarHBondContact CB-O 3.37Å; P50-L53 WeakPolarHBondContact O-CD2 3.31Å
51I98.8Very high98.7Very high9 Ų943.9 Ų43.95%0.04623%0.229CC..SBendtrans-76.9-29.4173.3-166176000112.6P160 I161 I186 I189 R191I51-P160 CarbonylContact O-C 3.46Å; I51-P160 WeakPolarHBondContact O-CA 3.27Å; I51-P160 VanDerWaalsContact O-CB 3.26Å; I51-P160 WeakPolarHBondContact O-CB 3.33Å; I51-I161 HydrophobicContact CD1-CG1 3.65Å; I51-I161 HydrophobicContact CG1-CB 4.25Å; I51-I161 HydrophobicContact CG1-CG1 3.74Å; I51-I161 PolarHBondContact O-N 2.98Å; I51-I186 WeakPolarHBondContact CG2-O 3.38Å; I51-I189 HydrophobicContact CD1-CB 3.73Å; I51-I189 HydrophobicContact CD1-CG2 3.63Å; I51-I189 WeakPolarHBondContact CD1-O 3.34Å; I51-R191 HydrophobicContact CD1-CG 3.75Å; I51-R191 HydrophobicContact CG1-CG 4.37Å
52L98.9Very high98.7Very high2 Ų240.2 Ų40.21%0.0121%0.213CC..EExtended strand (participates in β ladder)trans-103.1104.8165.4174.762.2000106.4P50 A162 I164 M183 I186 R187P50-L52 WeakPolarHBondContact CB-O 3.37Å; L52-A162 WeakPolarHBondContact CA-O 3.22Å; L52-A162 HydrophobicContact CD1-CB 3.67Å; L52-I164 HydrophobicContact CD1-CD1 4.28Å; L52-I164 HydrophobicContact CD1-CG1 4.18Å; L52-I164 HydrophobicContact CD2-CD1 4.21Å; L52-M183 HydrophobicContact CD2-CB 3.79Å; L52-M183 HydrophobicContact CD2-CG 4.37Å; L52-M183 HydrophobicContact CD2-SD 4.46Å; L52-I186 HydrophobicContact CB-CG2 4.02Å; L52-R187 HydrophobicContact CB-CG 4.01Å; L52-R187 HydrophobicContact CD2-CG 3.98Å
53L98.9Very high98.7Very high5 Ų540.2 Ų40.23%0.02621%0.213CC..EExtended strand (participates in β ladder)trans-73.8141-179.3-59.2173.7000110Q49 P50 L55 F119 L121 P160 A162 A163 I164Q49-L53 HydrophobicContact CB-CD2 4.29Å; P50-L53 WeakPolarHBondContact O-CD2 3.31Å; L53-L55 HydrophobicContact CB-CD1 4.4Å; L53-L55 HydrophobicContact CB-CD2 4.02Å; L53-L55 HydrophobicContact CB-CG 4.01Å; L53-L55 HydrophobicContact CD1-CD1 4.49Å; L53-F119 HydrophobicContact CD1-CB 4.02Å; L53-F119 HydrophobicContact CD1-CD1 3.9Å; L53-F119 HydrophobicContact CD1-CG 4.29Å; L53-L121 HydrophobicContact CD1-CD2 3.97Å; L53-P160 HydrophobicContact CD1-CB 4.17Å; L53-P160 HydrophobicContact CD1-CG 3.84Å; L53-P160 HydrophobicContact CD2-CB 4.23Å; L53-P160 HydrophobicContact CD2-CG 4.36Å; L53-P160 HydrophobicContact CG-CB 3.92Å; L53-P160 HydrophobicContact CG-CG 4.12Å; L53-A162 PolarHBondContact N-O 3.16Å; L53-A163 HydrophobicContact CB-CB 3.84Å; L53-A163 HydrophobicContact CD1-CB 4.49Å; L53-A163 CarbonylContact O-C 3.48Å; L53-A163 VanDerWaalsContact O-CA 3.22Å; L53-A163 WeakPolarHBondContact O-CA 3.31Å; L53-I164 PolarHBondContact O-N 3.36Å
54E98.8Very high98.7Very high98 Ų9836.9 Ų36.946%0.45820%0.2SC..EExtended strand (participates in β ladder)trans-110.8115.8168.4-53.5-69.6174.800105.6R187E54-R187 IonicContact OE1-CZ 3.45Å; E54-R187 IonicContact OE1-NE 3.69Å; E54-R187 IonicContact OE1-NH2 3.57Å; E54-R187 PolarHBondContact OE1-NH2 3.45Å
55L98.8Very high98.7Very high16 Ų1632.5 Ų32.58%0.08418%0.18CC..EExtended strand (participates in β ladder)trans-124.4156.3-170.4-56.7-178.8000110.4L53 L59 L88 F119 A163 I164 V165 D166L53-L55 HydrophobicContact CB-CD1 4.4Å; L53-L55 HydrophobicContact CB-CD2 4.02Å; L53-L55 HydrophobicContact CB-CG 4.01Å; L53-L55 HydrophobicContact CD1-CD1 4.49Å; L55-L59 HydrophobicContact CD1-CD1 4.21Å; L55-L88 HydrophobicContact CD1-CB 4.47Å; L55-L88 HydrophobicContact CD1-CD1 3.99Å; L55-L88 HydrophobicContact CD1-CD2 4.12Å; L55-L88 HydrophobicContact CD1-CG 4.43Å; L55-F119 HydrophobicContact CD1-CB 4.33Å; L55-F119 HydrophobicContact CD1-CD2 4.06Å; L55-F119 HydrophobicContact CD1-CG 4.08Å; L55-F119 HydrophobicContact CD2-CD1 3.73Å; L55-F119 HydrophobicContact CD2-CD2 3.89Å; L55-F119 HydrophobicContact CD2-CE1 3.52Å; L55-F119 HydrophobicContact CD2-CE2 3.7Å; L55-F119 HydrophobicContact CD2-CG 3.9Å; L55-F119 HydrophobicContact CD2-CZ 3.51Å; L55-A163 HydrophobicContact CD1-CB 3.87Å; L55-A163 HydrophobicContact CG-CB 4.34Å; L55-I164 PolarHBondContact N-O 3.05Å; L55-V165 HydrophobicContact CB-CG2 4.38Å; L55-V165 CarbonylContact O-C 3.54Å; L55-V165 WeakPolarHBondContact O-CA 3.24Å; L55-D166 PolarHBondContact O-N 2.63Å
56E98.5Very high98.7Very high158 Ų15831.7 Ų31.774%0.73818%0.176SC*.  trans-117.1144.5177.5-63177.3177.800110D166E56-D166 WeakPolarHBondContact CA-OD1 3.26Å
57A98.1Very high98.7Very high16 Ų1631.7 Ų31.713%0.13218%0.176CC..SBendtrans-70157.416700000110.8L59 V165 D166 V285 D286 L289A57-L59 HydrophobicContact CB-CD2 4.34Å; A57-V165 HydrophobicContact CB-CG1 4.49Å; A57-D166 WeakPolarHBondContact CB-OD2 3.4Å; A57-D166 PolarHBondContact N-OD2 3.01Å; A57-V285 HydrophobicContact CB-CG1 4.08Å; A57-D286 VanDerWaalsContact CB-O 3.23Å; A57-D286 WeakPolarHBondContact CB-O 3.32Å; A57-L289 HydrophobicContact CB-CD2 4.38Å
58P98.4Very high98.7Very high58 Ų5830 Ų3038%0.37717%0.166SC..SBendcis-81141.44.533.1-33.6000112.5N86 V285 E287P58-N86 WeakPolarHBondContact O-CB 3.44Å; P58-N86 PolarHBondContact O-ND2 3.45Å; P58-V285 VanDerWaalsContact CA-O 3.25Å; P58-V285 WeakPolarHBondContact CA-O 3.32Å; P58-E287 HydrophobicContact CB-CG 4.49Å; P58-E287 HydrophobicContact CG-CG 4.28Å
59L98.4Very high98.7Very high6 Ų625.4 Ų25.43%0.03113%0.134CC..EExtended strand (participates in β ladder)trans-152.2160.5172.782.3169.4000112.8L55 A57 I61 N86 L88 V165 V285L55-L59 HydrophobicContact CD1-CD1 4.21Å; A57-L59 HydrophobicContact CB-CD2 4.34Å; L59-I61 HydrophobicContact CD1-CG1 4.31Å; L59-I61 HydrophobicContact CG-CG1 4.15Å; L59-N86 WeakPolarHBondContact CA-O 3.25Å; L59-N86 HydrophobicContact CB-CB 3.89Å; L59-L88 HydrophobicContact CD1-CB 3.76Å; L59-L88 HydrophobicContact CD1-CD2 4.41Å; L59-V165 HydrophobicContact CD1-CG2 4.05Å; L59-V165 HydrophobicContact CD2-CB 4.46Å; L59-V165 HydrophobicContact CD2-CG1 3.5Å; L59-V165 HydrophobicContact CD2-CG2 4.12Å; L59-V285 HydrophobicContact CD2-CB 3.93Å; L59-V285 HydrophobicContact CD2-CG1 4.5Å; L59-V285 HydrophobicContact CD2-CG2 4.33Å; L59-V285 PolarHBondContact N-O 2.93Å; L59-V285 PolarHBondContact O-N 3.29Å
60K98.9Very high98.6Very high31 Ų3125.7 Ų25.714%0.13514%0.135CC..EExtended strand (participates in β ladder)trans-109.6122.2175.2-66176.8-177.5-76.40109.6G79 S85 N86 Y87 L88 M282 M283 S284K60-G79 VanDerWaalsContact CD-O 3.32Å; K60-G79 WeakPolarHBondContact CD-O 3.3Å; K60-G79 WeakPolarHBondContact CE-O 3.48Å; K60-S85 VanDerWaalsContact CE-OG 3.25Å; K60-S85 WeakPolarHBondContact CE-OG 3.4Å; K60-N86 PolarHBondContact N-O 3.23Å; K60-Y87 HydrophobicContact CB-CD1 3.86Å; K60-Y87 HydrophobicContact CB-CE1 3.77Å; K60-Y87 HydrophobicContact CD-CE1 4.13Å; K60-Y87 WeakPolarHBondContact O-CA 3.49Å; K60-L88 PolarHBondContact O-N 2.84Å; K60-M282 HydrophobicContact CB-SD 4.41Å; K60-M282 HydrophobicContact CD-SD 3.96Å; K60-M282 HydrophobicContact CG-SD 4.48Å; K60-M283 CarbonylContact C-O 3.52Å; K60-M283 WeakPolarHBondContact CA-O 3.14Å; K60-S284 PolarHBondContact NZ-OG 3.3Å
61I98.9Very high98.6Very high0 Ų023.5 Ų23.50%012%0.118CC..EExtended strand (participates in β ladder)trans-100.9128.3-179.2-47.4-175.1000109.5L59 L88 L90 V165 L266 M282 M283 V285L59-I61 HydrophobicContact CD1-CG1 4.31Å; L59-I61 HydrophobicContact CG-CG1 4.15Å; I61-L88 CarbonylContact C-O 3.59Å; I61-L88 VanDerWaalsContact CA-O 3.25Å; I61-L88 WeakPolarHBondContact CA-O 3.4Å; I61-L88 HydrophobicContact CD1-CD2 4.27Å; I61-L88 HydrophobicContact CG1-CB 4.35Å; I61-L88 HydrophobicContact CG1-CD2 4.38Å; I61-L88 HydrophobicContact CG2-CB 4.5Å; I61-L88 HydrophobicContact CG2-CD2 4.25Å; I61-L88 HydrophobicContact CG2-CG 4.38Å; I61-L90 HydrophobicContact CG2-CD1 3.84Å; I61-L90 HydrophobicContact CG2-CD2 3.79Å; I61-L90 HydrophobicContact CG2-CG 3.76Å; I61-V165 HydrophobicContact CD1-CG2 4.38Å; I61-L266 HydrophobicContact CB-CD1 4.08Å; I61-L266 HydrophobicContact CG2-CD1 3.95Å; I61-L266 WeakPolarHBondContact O-CD1 3.39Å; I61-M282 CarbonylContact O-C 3.49Å; I61-M282 WeakPolarHBondContact O-CA 3.43Å; I61-M283 HydrophobicContact CD1-CE 3.77Å; I61-M283 HydrophobicContact CG1-CE 4.47Å; I61-M283 PolarHBondContact N-O 2.89Å; I61-M283 PolarHBondContact O-N 3.4Å; I61-V285 HydrophobicContact CD1-CG2 4.15Å; I61-V285 HydrophobicContact CG1-CG2 4.49Å
62C98.9Very high98.5Very high0 Ų023.1 Ų23.10%012%0.117CC..EExtended strand (participates in β ladder)trans-122.4139.5-178.5-56.10000110.7L75 L88 F89 L90C62-L75 HydrophobicContact CB-CD1 4.41Å; C62-L88 PolarHBondContact N-O 3.04Å; C62-F89 HydrophobicContact CB-CD1 3.56Å; C62-F89 HydrophobicContact CB-CE1 3.61Å; C62-F89 HydrophobicContact CB-CG 4.1Å; C62-F89 HydrophobicContact CB-CZ 4.18Å; C62-F89 CarbonylContact O-C 3.58Å; C62-F89 WeakPolarHBondContact O-CA 3.31Å; C62-L90 WeakPolarHBondContact O-CB 3.33Å; C62-L90 WeakPolarHBondContact O-CG 3.19Å; C62-L90 PolarHBondContact O-N 3.33Å
63G98.8Very high98.5Very high0 Ų023.2 Ų23.20%012%0.117CC..  trans-84.8-149.6172.100000112.7S268G63-S268 PolarHBondContact N-OG 3.4Å
64D98.9Very high98.4Very high2 Ų226.2 Ų26.21%0.01113%0.128CC..BIsolated β-bridgetrans-60.4143-174.2-53.921.1000112.7H66 D92 H173 A247 H248 F267 S268 A269D64-H66 IonicContact OD2-CD2 3.87Å; D64-H66 IonicContact OD2-NE2 2.75Å; D64-D92 HydrophobicContact CB-CB 3.98Å; D64-H173 IonicContact OD1-CE1 3.67Å; D64-H173 PolarHBondContact OD1-CE1 3.27Å; D64-H173 IonicContact OD1-ND1 3.35Å; D64-H173 IonicContact OD2-CE1 3.81Å; D64-A247 WeakPolarHBondContact OD1-CB 3.29Å; D64-H248 PolarHBondContact OD1-N 3.31Å; D64-F267 HydrophobicContact CB-CD2 3.85Å; D64-F267 HydrophobicContact CB-CE2 3.52Å; D64-F267 HydrophobicContact CB-CZ 3.97Å; D64-F267 WeakPolarHBondContact OD2-CE2 3.36Å; D64-S268 CarbonylContact O-C 3.59Å; D64-S268 VanDerWaalsContact O-C 3.28Å; D64-S268 WeakPolarHBondContact O-CA 3.36Å; D64-S268 WeakPolarHBondContact O-CB 3.38Å; D64-S268 PolarHBondContact O-N 2.89Å; D64-S268 VanDerWaalsContact O-N 3.16Å; D64-A269 PolarHBondContact O-N 3.5Å
65I98.8Very high98.4Very high2 Ų221.7 Ų21.71%0.0111%0.107CC..  trans-120.2-35.6178.7-55.7-63.9000111.9G67 Q68 L72 L75 F89 D92 T103I65-G67 PolarHBondContact O-N 3.48Å; I65-Q68 WeakPolarHBondContact O-CB 3.25Å; I65-Q68 PolarHBondContact O-N 2.99Å; I65-L72 HydrophobicContact CD1-CD1 4.19Å; I65-L72 HydrophobicContact CG1-CD1 4.49Å; I65-L72 HydrophobicContact CG2-CB 3.99Å; I65-L75 HydrophobicContact CD1-CD1 4.2Å; I65-F89 HydrophobicContact CD1-CD1 4.37Å; I65-F89 HydrophobicContact CD1-CE1 4.01Å; I65-F89 HydrophobicContact CG1-CD1 4.07Å; I65-F89 HydrophobicContact CG1-CE1 4.07Å; I65-D92 PolarHBondContact N-O 2.8Å; I65-T103 HydrophobicContact CB-CG2 4.26Å; I65-T103 HydrophobicContact CG2-CG2 3.53Å
66H98.6Very high98.3Very high3 Ų321 Ų211%0.01410%0.103CC..THydrogen-bonded Turntrans45.152.5174-75.4-59.8000114.7D64 Q68 D92 V94 D95 R96 G97 H125 Y272D64-H66 IonicContact OD2-CD2 3.87Å; D64-H66 IonicContact OD2-NE2 2.75Å; H66-Q68 PolarHBondContact O-N 3.47Å; H66-D92 IonicContact CE1-OD2 3.61Å; H66-D92 PolarHBondContact CE1-OD2 3.2Å; H66-D92 PolarHBondContact N-O 2.64Å; H66-D92 IonicContact NE2-OD2 3.67Å; H66-D92 PolarHBondContact NE2-OD2 2.81Å; H66-V94 PolarHBondContact ND1-O 2.83Å; H66-D95 CarbonylContact C-O 3.59Å; H66-D95 WeakPolarHBondContact CA-O 3.21Å; H66-D95 WeakPolarHBondContact CB-O 3.47Å; H66-D95 VanDerWaalsContact O-O 3.07Å; H66-R96 HydrophobicContact CB-CB 4.34Å; H66-G97 WeakPolarHBondContact O-CA 3.26Å; H66-G97 PolarHBondContact O-N 2.86Å; H66-H125 AromaticContact CE1-CD2 3.61Å; H66-H125 AromaticContact CE1-CG 3.81Å; H66-H125 AromaticContact CE1-NE2 3.78Å; H66-Y272 HydrophobicContact CB-CE2 3.74Å; H66-Y272 AromaticContact CD2-CE2 3.22Å; H66-Y272 WeakPolarHBondContact CD2-CE2 3.26Å; H66-Y272 AromaticContact CD2-CZ 3.52Å; H66-Y272 PolarHBondContact CD2-OH 3.48Å; H66-Y272 AromaticContact CG-CE2 3.69Å; H66-Y272 AromaticContact NE2-CE2 3.99Å; H66-Y272 AromaticContact NE2-CZ 3.8Å; H66-Y272 PolarHBondContact NE2-OH 2.93Å
67G98.4Very high98.2Very high1 Ų118 Ų181%0.019%0.089CC..THydrogen-bonded Turntrans62.913.8176.400000115.7I65 Y69 Y93 Q99 T103I65-G67 PolarHBondContact O-N 3.48Å; G67-Y69 PolarHBondContact O-N 2.64Å; G67-Y93 PolarHBondContact N-O 2.76Å; G67-Q99 CarbonylContact O-C 3.2Å; G67-Q99 PolarHBondContact O-N 3.29Å; G67-Q99 VanDerWaalsContact O-N 3.1Å; G67-T103 WeakPolarHBondContact CA-OG1 3.32Å
68Q98.3Very high98.2Very high28 Ų2823.7 Ų23.713%0.13111%0.108CC..  trans-7963.9171.4-68.9-168.5-167.800111I65 H66 Y70 D71 L72 A269 P270I65-Q68 WeakPolarHBondContact O-CB 3.25Å; I65-Q68 PolarHBondContact O-N 2.99Å; H66-Q68 PolarHBondContact O-N 3.47Å; Q68-Y70 VanDerWaalsContact C-N 3.32Å; Q68-Y70 PolarHBondContact O-N 2.89Å; Q68-Y70 VanDerWaalsContact O-N 3.17Å; Q68-D71 HydrophobicContact CB-CB 4.18Å; Q68-D71 PolarHBondContact NE2-OD2 2.97Å; Q68-D71 WeakPolarHBondContact O-CA 3.23Å; Q68-D71 PolarHBondContact O-N 2.92Å; Q68-L72 PolarHBondContact O-N 3.28Å; Q68-A269 HydrophobicContact CG-CB 4.46Å; Q68-P270 PolarHBondContact NE2-O 3.39Å
69Y98.4Very high98.1Very high1 Ų121.2 Ų21.20%0.0049%0.093CC..Hα-helixtrans-54.2-41.2-169.1-176.8-124.5000114.9L16 V19 G67 D71 L72 L73 E102 T103 L106L16-Y69 VanDerWaalsContact C-OH 3.24Å; L16-Y69 WeakPolarHBondContact CB-OH 3.14Å; L16-Y69 PolarHBondContact O-OH 3.44Å; V19-Y69 HydrophobicContact CG2-CD1 4.47Å; V19-Y69 HydrophobicContact CG2-CE1 3.71Å; G67-Y69 PolarHBondContact O-N 2.64Å; Y69-D71 VanDerWaalsContact C-N 3.31Å; Y69-D71 PolarHBondContact O-N 2.8Å; Y69-L72 HydrophobicContact CD2-CD2 4.47Å; Y69-L72 WeakPolarHBondContact O-CB 3.35Å; Y69-L72 PolarHBondContact O-N 2.75Å; Y69-L73 HydrophobicContact CD1-CD1 4.21Å; Y69-L73 HydrophobicContact CE1-CD1 3.79Å; Y69-L73 HydrophobicContact CE1-CG 4.35Å; Y69-L73 HydrophobicContact CE2-CD2 4.29Å; Y69-L73 HydrophobicContact CE2-CG 4.35Å; Y69-L73 WeakPolarHBondContact O-CG 3.32Å; Y69-L73 PolarHBondContact O-N 3Å; Y69-E102 HydrophobicContact CD1-CB 3.6Å; Y69-E102 HydrophobicContact CD1-CG 4.13Å; Y69-E102 HydrophobicContact CD2-CB 3.69Å; Y69-E102 HydrophobicContact CE1-CB 3.73Å; Y69-E102 HydrophobicContact CE1-CG 4.12Å; Y69-E102 HydrophobicContact CE2-CB 3.83Å; Y69-E102 WeakPolarHBondContact CE2-O 3.47Å; Y69-E102 HydrophobicContact CG-CB 3.56Å; Y69-T103 WeakPolarHBondContact CA-OG1 3.18Å; Y69-T103 WeakPolarHBondContact CB-OG1 3.44Å; Y69-L106 HydrophobicContact CE2-CB 4.06Å; Y69-L106 HydrophobicContact CE2-CD2 3.77Å
70Y97.6Very high98.1Very high24 Ų2421.6 Ų21.69%0.09410%0.099CC..Hα-helixtrans-69.7-29.6178.9-80.2-99.9000112.7V19 K23 P24 K26 Q68 L73 R74V19-Y70 WeakPolarHBondContact O-CE1 3.37Å; K23-Y70 PolarHBondContact O-OH 3.38Å; P24-Y70 HydrophobicContact CB-CD1 4.02Å; P24-Y70 HydrophobicContact CB-CD2 4.29Å; P24-Y70 HydrophobicContact CB-CE1 4.37Å; P24-Y70 HydrophobicContact CB-CG 3.97Å; P24-Y70 HydrophobicContact CG-CD1 4.04Å; P24-Y70 HydrophobicContact CG-CE1 4.43Å; P24-Y70 HydrophobicContact CG-CG 4.42Å; K26-Y70 WeakPolarHBondContact CB-OH 3.37Å; K26-Y70 PolarHBondContact N-OH 3.01Å; K26-Y70 PolarHBondContact O-OH 2.89Å; Q68-Y70 VanDerWaalsContact C-N 3.32Å; Q68-Y70 PolarHBondContact O-N 2.89Å; Q68-Y70 VanDerWaalsContact O-N 3.17Å; Y70-L73 PolarHBondContact O-N 2.88Å; Y70-R74 WeakPolarHBondContact O-CG 3.33Å; Y70-R74 PolarHBondContact O-N 2.82Å
71D97.4Very high98Very high33 Ų3321.4 Ų21.418%0.17610%0.098CC..Hα-helixtrans-74.5-34.1173.5-62.5-53.4000111Q68 Y69 L73 R74 L75 P270 L296Q68-D71 HydrophobicContact CB-CB 4.18Å; Q68-D71 PolarHBondContact NE2-OD2 2.97Å; Q68-D71 WeakPolarHBondContact O-CA 3.23Å; Q68-D71 PolarHBondContact O-N 2.92Å; Y69-D71 VanDerWaalsContact C-N 3.31Å; Y69-D71 PolarHBondContact O-N 2.8Å; D71-L73 VanDerWaalsContact C-N 3.32Å; D71-L73 PolarHBondContact O-N 2.8Å; D71-R74 PolarHBondContact O-N 2.73Å; D71-R74 IonicContact OD1-CZ 3.72Å; D71-R74 IonicContact OD1-NH1 2.81Å; D71-R74 PolarHBondContact OD1-NH1 2.81Å; D71-L75 WeakPolarHBondContact O-CB 3.4Å; D71-L75 PolarHBondContact O-N 3.27Å; D71-P270 HydrophobicContact CB-CG 4.01Å; D71-L296 HydrophobicContact CB-CD2 4.34Å
72L98.4Very high98Very high1 Ų121.9 Ų21.91%0.00510%0.101CC..Hα-helixtrans-59.2-42.4168.317764000111.7I65 Q68 Y69 L75 F76 F89 T103 L106 L107I65-L72 HydrophobicContact CD1-CD1 4.19Å; I65-L72 HydrophobicContact CG1-CD1 4.49Å; I65-L72 HydrophobicContact CG2-CB 3.99Å; Q68-L72 PolarHBondContact O-N 3.28Å; Y69-L72 HydrophobicContact CD2-CD2 4.47Å; Y69-L72 WeakPolarHBondContact O-CB 3.35Å; Y69-L72 PolarHBondContact O-N 2.75Å; L72-L75 WeakPolarHBondContact O-CB 3.26Å; L72-L75 PolarHBondContact O-N 2.86Å; L72-F76 HydrophobicContact CD1-CD2 4.14Å; L72-F76 HydrophobicContact CD1-CE2 3.51Å; L72-F76 HydrophobicContact CD1-CZ 3.77Å; L72-F76 HydrophobicContact CD2-CE2 4.08Å; L72-F76 HydrophobicContact CG-CD2 4.08Å; L72-F76 HydrophobicContact CG-CE2 3.61Å; L72-F76 HydrophobicContact CG-CZ 4.36Å; L72-F76 VanDerWaalsContact O-CD2 3.31Å; L72-F76 WeakPolarHBondContact O-CD2 3.33Å; L72-F76 PolarHBondContact O-N 3.12Å; L72-F89 HydrophobicContact CD1-CE1 3.68Å; L72-F89 HydrophobicContact CD1-CZ 3.81Å; L72-T103 HydrophobicContact CD2-CG2 3.94Å; L72-L106 HydrophobicContact CD2-CD2 4.41Å; L72-L107 HydrophobicContact CD1-CD2 4.23Å; L72-L107 HydrophobicContact CD2-CD2 3.96Å; L72-L107 HydrophobicContact CD2-CG 4.11Å
73L98.1Very high98Very high4 Ų425.3 Ų25.32%0.02112%0.123CC..Hα-helixtrans-63.6-42.4175.5-66175.7000111.8L17 V19 R20 Y69 Y70 D71 L75 F76 E77 L106L17-L73 HydrophobicContact CD2-CD2 3.66Å; V19-L73 HydrophobicContact CG2-CD1 4.25Å; R20-L73 HydrophobicContact CG-CB 4.31Å; R20-L73 HydrophobicContact CG-CD1 3.84Å; R20-L73 HydrophobicContact CG-CD2 4.12Å; R20-L73 HydrophobicContact CG-CG 4.32Å; Y69-L73 HydrophobicContact CD1-CD1 4.21Å; Y69-L73 HydrophobicContact CE1-CD1 3.79Å; Y69-L73 HydrophobicContact CE1-CG 4.35Å; Y69-L73 HydrophobicContact CE2-CD2 4.29Å; Y69-L73 HydrophobicContact CE2-CG 4.35Å; Y69-L73 WeakPolarHBondContact O-CG 3.32Å; Y69-L73 PolarHBondContact O-N 3Å; Y70-L73 PolarHBondContact O-N 2.88Å; D71-L73 VanDerWaalsContact C-N 3.32Å; D71-L73 PolarHBondContact O-N 2.8Å; L73-L75 VanDerWaalsContact C-N 3.3Å; L73-L75 PolarHBondContact O-N 2.94Å; L73-F76 PolarHBondContact O-N 3.39Å; L73-E77 WeakPolarHBondContact O-CG 3.27Å; L73-E77 PolarHBondContact O-N 2.9Å; L73-L106 HydrophobicContact CD2-CD2 3.82Å
74R97.1Very high97.9Very high68 Ų6832.4 Ų32.426%0.25716%0.157SC..Hα-helixtrans-63.6-36.2174.3-71.2170.267.5-150.50112Y70 D71 E77 Y78 L296 K297Y70-R74 WeakPolarHBondContact O-CG 3.33Å; Y70-R74 PolarHBondContact O-N 2.82Å; D71-R74 PolarHBondContact O-N 2.73Å; D71-R74 IonicContact OD1-CZ 3.72Å; D71-R74 IonicContact OD1-NH1 2.81Å; D71-R74 PolarHBondContact OD1-NH1 2.81Å; R74-E77 PolarHBondContact O-N 3.42Å; R74-Y78 WeakPolarHBondContact O-CB 3.41Å; R74-Y78 PolarHBondContact O-N 2.92Å; R74-L296 HydrophobicContact CB-CD1 4.13Å; R74-L296 HydrophobicContact CB-CD2 4.02Å; R74-K297 PolarHBondContact NH2-O 2.75Å
75L97.7Very high97.9Very high4 Ų433.7 Ų33.72%0.02117%0.166CC..Hα-helixtrans-59.9-50.3175.2-168.6155.4000109.5C62 I65 D71 L72 L73 E77 Y78 G79 Y87 M282C62-L75 HydrophobicContact CB-CD1 4.41Å; I65-L75 HydrophobicContact CD1-CD1 4.2Å; D71-L75 WeakPolarHBondContact O-CB 3.4Å; D71-L75 PolarHBondContact O-N 3.27Å; L72-L75 WeakPolarHBondContact O-CB 3.26Å; L72-L75 PolarHBondContact O-N 2.86Å; L73-L75 VanDerWaalsContact C-N 3.3Å; L73-L75 PolarHBondContact O-N 2.94Å; L75-E77 PolarHBondContact O-N 2.8Å; L75-Y78 PolarHBondContact O-N 3.23Å; L75-Y78 VanDerWaalsContact O-N 3.17Å; L75-G79 PolarHBondContact O-N 2.93Å; L75-Y87 HydrophobicContact CD2-CE1 3.99Å; L75-M282 HydrophobicContact CB-CE 4.34Å; L75-M282 HydrophobicContact CD1-CE 4.48Å; L75-M282 HydrophobicContact CD2-CE 3.48Å; L75-M282 VanDerWaalsContact CD2-CE 3.48Å; L75-M282 HydrophobicContact CD2-SD 4.25Å; L75-M282 HydrophobicContact CG-CE 3.44Å; L75-M282 VanDerWaalsContact CG-CE 3.44Å; L75-M282 VanDerWaalsContact O-CE 3.23Å; L75-M282 WeakPolarHBondContact O-CE 3.49Å
76F98.4Very high97.9Very high0 Ų035.4 Ų35.40%018%0.175CC..Hα-helixtrans-65.4-33.9175.1-68.1-49.2000113.7L72 L73 Y78 G80 F81 P82 Y87 F89 L106 L107 Y110 F118L72-F76 HydrophobicContact CD1-CD2 4.14Å; L72-F76 HydrophobicContact CD1-CE2 3.51Å; L72-F76 HydrophobicContact CD1-CZ 3.77Å; L72-F76 HydrophobicContact CD2-CE2 4.08Å; L72-F76 HydrophobicContact CG-CD2 4.08Å; L72-F76 HydrophobicContact CG-CE2 3.61Å; L72-F76 HydrophobicContact CG-CZ 4.36Å; L72-F76 VanDerWaalsContact O-CD2 3.31Å; L72-F76 WeakPolarHBondContact O-CD2 3.33Å; L72-F76 PolarHBondContact O-N 3.12Å; L73-F76 PolarHBondContact O-N 3.39Å; F76-Y78 PolarHBondContact O-N 3.45Å; F76-G80 CarbonylContact O-C 3.46Å; F76-G80 VanDerWaalsContact O-CA 3.26Å; F76-G80 WeakPolarHBondContact O-CA 3.25Å; F76-G80 PolarHBondContact O-N 2.92Å; F76-F81 HydrophobicContact CB-CD1 3.6Å; F76-F81 HydrophobicContact CB-CD2 4.27Å; F76-F81 HydrophobicContact CB-CE1 3.47Å; F76-F81 VanDerWaalsContact CB-CE1 3.47Å; F76-F81 HydrophobicContact CB-CE2 4.16Å; F76-F81 HydrophobicContact CB-CG 4.01Å; F76-F81 HydrophobicContact CB-CZ 3.77Å; F76-F81 HydrophobicContact CD2-CD1 4.48Å; F76-F81 HydrophobicContact CD2-CE1 4.29Å; F76-F81 HydrophobicContact CG-CD1 4.19Å; F76-F81 HydrophobicContact CG-CE1 4.22Å; F76-F81 PolarHBondContact O-N 3.02Å; F76-P82 HydrophobicContact CD1-CG 4.47Å; F76-P82 HydrophobicContact CE1-CG 4.15Å; F76-Y87 HydrophobicContact CD1-CE1 4.08Å; F76-Y87 AromaticContact CD1-CE2 3.98Å; F76-Y87 HydrophobicContact CD1-CE2 3.98Å; F76-Y87 AromaticContact CD1-CZ 3.68Å; F76-Y87 HydrophobicContact CE1-CD1 4.19Å; F76-Y87 HydrophobicContact CE1-CD2 4.22Å; F76-Y87 HydrophobicContact CE1-CE1 4Å; F76-Y87 HydrophobicContact CE1-CE2 4.03Å; F76-Y87 HydrophobicContact CE1-CG 4.29Å; F76-Y87 AromaticContact CE1-CZ 3.92Å; F76-F89 HydrophobicContact CE1-CE2 4.16Å; F76-F89 AromaticContact CE1-CZ 3.84Å; F76-F89 HydrophobicContact CE1-CZ 3.84Å; F76-F89 HydrophobicContact CZ-CE2 4.12Å; F76-F89 AromaticContact CZ-CZ 3.71Å; F76-F89 HydrophobicContact CZ-CZ 3.71Å; F76-L106 HydrophobicContact CD2-CD2 4.41Å; F76-L106 HydrophobicContact CE2-CD2 4.09Å; F76-L107 HydrophobicContact CZ-CD2 4.22Å; F76-Y110 HydrophobicContact CD2-CE2 4.32Å; F76-Y110 HydrophobicContact CE2-CD2 4.28Å; F76-Y110 AromaticContact CE2-CE2 3.87Å; F76-Y110 HydrophobicContact CE2-CE2 3.87Å; F76-Y110 HydrophobicContact CZ-CD2 4.19Å; F76-Y110 HydrophobicContact CZ-CE2 4.14Å; F76-F118 HydrophobicContact CE1-CE2 4Å; F76-F118 HydrophobicContact CE1-CZ 4.5Å; F76-F118 AromaticContact CZ-CE2 3.96Å; F76-F118 HydrophobicContact CZ-CE2 3.96Å; F76-F118 HydrophobicContact CZ-CZ 4.04Å
77E96.6Very high97.9Very high95 Ų9535.3 Ų35.344%0.44417%0.174SC..Hα-helixtrans-61.9-34.2173.1-76.7175.1173.500112.7R20 L73 R74 L75 F81R20-E77 IonicContact CZ-OE1 3.53Å; R20-E77 VanDerWaalsContact CZ-OE1 3.25Å; R20-E77 IonicContact NE-OE1 2.85Å; R20-E77 PolarHBondContact NE-OE1 2.9Å; R20-E77 IonicContact NH2-OE1 2.75Å; R20-E77 PolarHBondContact NH2-OE1 3.36Å; L73-E77 WeakPolarHBondContact O-CG 3.27Å; L73-E77 PolarHBondContact O-N 2.9Å; R74-E77 PolarHBondContact O-N 3.42Å; L75-E77 PolarHBondContact O-N 2.8Å; E77-F81 HydrophobicContact CB-CE2 4.35Å; E77-F81 HydrophobicContact CG-CE2 3.6Å; E77-F81 HydrophobicContact CG-CZ 3.82Å
78Y96.1Very high98Very high137 Ų13735.2 Ų35.254%0.53717%0.174SC..Hα-helixtrans-88.8-32.8-178.5-156.1-127.9000113.2R74 L75 F76 Q294R74-Y78 WeakPolarHBondContact O-CB 3.41Å; R74-Y78 PolarHBondContact O-N 2.92Å; L75-Y78 PolarHBondContact O-N 3.23Å; L75-Y78 VanDerWaalsContact O-N 3.17Å; F76-Y78 PolarHBondContact O-N 3.45Å; Y78-Q294 HydrophobicContact CD1-CB 3.93Å; Y78-Q294 HydrophobicContact CE1-CB 3.85Å; Y78-Q294 HydrophobicContact CE1-CG 4.41Å; Y78-Q294 PolarHBondContact O-NE2 3.47Å; Y78-Q294 VanDerWaalsContact O-NE2 3.09Å
79G96.9Very high98Very high5 Ų533.9 Ų33.95%0.05217%0.168CC..Hα-helixtrans-93.3-7.8179.700000114.8K60 L75 S85 Y87K60-G79 VanDerWaalsContact CD-O 3.32Å; K60-G79 WeakPolarHBondContact CD-O 3.3Å; K60-G79 WeakPolarHBondContact CE-O 3.48Å; L75-G79 PolarHBondContact O-N 2.93Å; G79-S85 PolarHBondContact O-OG 3.43Å; G79-S85 VanDerWaalsContact O-OG 3.1Å; G79-Y87 WeakPolarHBondContact CA-OH 3.45Å; G79-Y87 PolarHBondContact O-OH 3.03Å
80G98.2Very high98Very high15 Ų1533.9 Ų33.916%0.15517%0.167CC..  trans86.5134.4-170.800000111.7F76 E84 Y87F76-G80 CarbonylContact O-C 3.46Å; F76-G80 VanDerWaalsContact O-CA 3.26Å; F76-G80 WeakPolarHBondContact O-CA 3.25Å; F76-G80 PolarHBondContact O-N 2.92Å; G80-E84 WeakPolarHBondContact CA-OE2 3.5Å; G80-Y87 VanDerWaalsContact O-CE2 3.3Å; G80-Y87 WeakPolarHBondContact O-CE2 3.28Å; G80-Y87 PolarHBondContact O-OH 3.05Å
81F98.4Very high98.1Very high27 Ų2732.7 Ų32.712%0.11816%0.163CC..  trans-75.8145-178.8-80.4-91.4000110.6L17 R20 F76 E77 E84 Y110L17-F81 HydrophobicContact CD1-CD1 4.48Å; L17-F81 HydrophobicContact CD2-CD1 4.34Å; L17-F81 HydrophobicContact CD2-CE1 3.74Å; R20-F81 VanDerWaalsContact CZ-CE2 3.49Å; R20-F81 VanDerWaalsContact CZ-CZ 3.47Å; F76-F81 HydrophobicContact CB-CD1 3.6Å; F76-F81 HydrophobicContact CB-CD2 4.27Å; F76-F81 HydrophobicContact CB-CE1 3.47Å; F76-F81 VanDerWaalsContact CB-CE1 3.47Å; F76-F81 HydrophobicContact CB-CE2 4.16Å; F76-F81 HydrophobicContact CB-CG 4.01Å; F76-F81 HydrophobicContact CB-CZ 3.77Å; F76-F81 HydrophobicContact CD2-CD1 4.48Å; F76-F81 HydrophobicContact CD2-CE1 4.29Å; F76-F81 HydrophobicContact CG-CD1 4.19Å; F76-F81 HydrophobicContact CG-CE1 4.22Å; F76-F81 PolarHBondContact O-N 3.02Å; E77-F81 HydrophobicContact CB-CE2 4.35Å; E77-F81 HydrophobicContact CG-CE2 3.6Å; E77-F81 HydrophobicContact CG-CZ 3.82Å; F81-E84 PolarHBondContact N-OE2 3.14Å; F81-E84 WeakPolarHBondContact O-CA 3.37Å; F81-E84 WeakPolarHBondContact O-CB 3.5Å; F81-E84 VanDerWaalsContact O-CG 3.31Å; F81-E84 WeakPolarHBondContact O-CG 3.23Å; F81-E84 PolarHBondContact O-N 3.36Å; F81-Y110 WeakPolarHBondContact CD1-OH 3.4Å
82P98.1Very high98.1Very high10 Ų1031.2 Ų31.27%0.06516%0.155CC..THydrogen-bonded Turntrans-55.5131.8172.2-2634.9000111.9F76 Y87 Y110 Y114 F118F76-P82 HydrophobicContact CD1-CG 4.47Å; F76-P82 HydrophobicContact CE1-CG 4.15Å; P82-Y87 HydrophobicContact CG-CD2 3.97Å; P82-Y87 HydrophobicContact CG-CE2 4.12Å; P82-Y110 HydrophobicContact CB-CD1 3.96Å; P82-Y110 HydrophobicContact CB-CE1 4.15Å; P82-Y110 HydrophobicContact CB-CG 4.24Å; P82-Y110 HydrophobicContact CG-CD1 4.17Å; P82-Y110 HydrophobicContact CG-CD2 3.98Å; P82-Y110 HydrophobicContact CG-CE1 4.29Å; P82-Y110 HydrophobicContact CG-CE2 4.08Å; P82-Y110 HydrophobicContact CG-CG 4.04Å; P82-Y114 HydrophobicContact CB-CD2 3.64Å; P82-Y114 HydrophobicContact CB-CE2 3.76Å; P82-Y114 WeakPolarHBondContact O-CE2 3.18Å; P82-F118 HydrophobicContact CB-CD2 4.22Å; P82-F118 HydrophobicContact CG-CD2 3.67Å; P82-F118 HydrophobicContact CG-CE2 3.68Å
83P98.1Very high98.2Very high72 Ų7231.2 Ų31.247%0.46816%0.155SC..THydrogen-bonded Turncis-101.418.512.539.6-31.3000114.4S85 Y114P83-S85 PolarHBondContact O-N 3.08Å; P83-Y114 HydrophobicContact CB-CD1 3.89Å; P83-Y114 HydrophobicContact CB-CE1 3.82Å; P83-Y114 HydrophobicContact CB-CE2 4.49Å; P83-Y114 HydrophobicContact CB-CG 4.29Å; P83-Y114 WeakPolarHBondContact CD-OH 3.09Å; P83-Y114 HydrophobicContact CG-CD1 4.31Å; P83-Y114 HydrophobicContact CG-CE1 3.73Å
84E98.3Very high98.2Very high149 Ų14931 Ų3170%0.69615%0.154SC*.SBendtrans-60.8-23.4177.9-59.9171.4179.700112.7G80 F81G80-E84 WeakPolarHBondContact CA-OE2 3.5Å; F81-E84 PolarHBondContact N-OE2 3.14Å; F81-E84 WeakPolarHBondContact O-CA 3.37Å; F81-E84 WeakPolarHBondContact O-CB 3.5Å; F81-E84 VanDerWaalsContact O-CG 3.31Å; F81-E84 WeakPolarHBondContact O-CG 3.23Å; F81-E84 PolarHBondContact O-N 3.36Å
85S98.4Very high98.3Very high29 Ų2927.8 Ų27.820%0.20314%0.142CC..SBendtrans-141.5145.4171.4-72.40000110.2K60 G79 P83 Y87K60-S85 VanDerWaalsContact CE-OG 3.25Å; K60-S85 WeakPolarHBondContact CE-OG 3.4Å; G79-S85 PolarHBondContact O-OG 3.43Å; G79-S85 VanDerWaalsContact O-OG 3.1Å; P83-S85 PolarHBondContact O-N 3.08Å; S85-Y87 VanDerWaalsContact O-CD2 3.23Å; S85-Y87 WeakPolarHBondContact O-CD2 3.34Å; S85-Y87 WeakPolarHBondContact O-CE2 3.19Å
86N98.8Very high98.2Very high38 Ų3833.3 Ų33.320%0.20316%0.162CC..  trans-76.6143.6170-57.6-39.3000109.4P58 L59 K60 N117P58-N86 WeakPolarHBondContact O-CB 3.44Å; P58-N86 PolarHBondContact O-ND2 3.45Å; L59-N86 WeakPolarHBondContact CA-O 3.25Å; L59-N86 HydrophobicContact CB-CB 3.89Å; K60-N86 PolarHBondContact N-O 3.23Å; N86-N117 CarbonylContact C-O 3.59Å; N86-N117 WeakPolarHBondContact CA-O 3.33Å; N86-N117 VanDerWaalsContact OD1-CB 3.26Å; N86-N117 WeakPolarHBondContact OD1-CB 3.31Å; N86-N117 PolarHBondContact OD1-ND2 2.82Å
87Y98.9Very high98Very high0 Ų034.4 Ų34.40%017%0.173CC..EExtended strand (participates in β ladder)trans-129.5140.4-178.3-77.2-90.5000112.8K60 L75 F76 G79 G80 P82 S85 F89 N117 F118 F119K60-Y87 HydrophobicContact CB-CD1 3.86Å; K60-Y87 HydrophobicContact CB-CE1 3.77Å; K60-Y87 HydrophobicContact CD-CE1 4.13Å; K60-Y87 WeakPolarHBondContact O-CA 3.49Å; L75-Y87 HydrophobicContact CD2-CE1 3.99Å; F76-Y87 HydrophobicContact CD1-CE1 4.08Å; F76-Y87 AromaticContact CD1-CE2 3.98Å; F76-Y87 HydrophobicContact CD1-CE2 3.98Å; F76-Y87 AromaticContact CD1-CZ 3.68Å; F76-Y87 HydrophobicContact CE1-CD1 4.19Å; F76-Y87 HydrophobicContact CE1-CD2 4.22Å; F76-Y87 HydrophobicContact CE1-CE1 4Å; F76-Y87 HydrophobicContact CE1-CE2 4.03Å; F76-Y87 HydrophobicContact CE1-CG 4.29Å; F76-Y87 AromaticContact CE1-CZ 3.92Å; G79-Y87 WeakPolarHBondContact CA-OH 3.45Å; G79-Y87 PolarHBondContact O-OH 3.03Å; G80-Y87 VanDerWaalsContact O-CE2 3.3Å; G80-Y87 WeakPolarHBondContact O-CE2 3.28Å; G80-Y87 PolarHBondContact O-OH 3.05Å; P82-Y87 HydrophobicContact CG-CD2 3.97Å; P82-Y87 HydrophobicContact CG-CE2 4.12Å; S85-Y87 VanDerWaalsContact O-CD2 3.23Å; S85-Y87 WeakPolarHBondContact O-CD2 3.34Å; S85-Y87 WeakPolarHBondContact O-CE2 3.19Å; Y87-F89 AromaticContact CD1-CE2 3.89Å; Y87-F89 HydrophobicContact CD1-CE2 3.89Å; Y87-F89 HydrophobicContact CD1-CZ 4.23Å; Y87-F89 HydrophobicContact CG-CE2 4.09Å; Y87-N117 PolarHBondContact N-O 3.01Å; Y87-F118 HydrophobicContact CD2-CD2 4.25Å; Y87-F118 HydrophobicContact CD2-CE2 4.19Å; Y87-F118 HydrophobicContact CG-CD2 4.31Å; Y87-F118 HydrophobicContact CG-CE2 4.08Å; Y87-F119 WeakPolarHBondContact O-CD2 3.22Å; Y87-F119 PolarHBondContact O-N 3.26Å
88L98.9Very high98Very high0 Ų038.6 Ų38.60%019%0.19CC..EExtended strand (participates in β ladder)trans-121.5120163.2174.565.7000108.5L55 L59 K60 I61 C62 L90 F119 L121 A163 C171L55-L88 HydrophobicContact CD1-CB 4.47Å; L55-L88 HydrophobicContact CD1-CD1 3.99Å; L55-L88 HydrophobicContact CD1-CD2 4.12Å; L55-L88 HydrophobicContact CD1-CG 4.43Å; L59-L88 HydrophobicContact CD1-CB 3.76Å; L59-L88 HydrophobicContact CD1-CD2 4.41Å; K60-L88 PolarHBondContact O-N 2.84Å; I61-L88 CarbonylContact C-O 3.59Å; I61-L88 VanDerWaalsContact CA-O 3.25Å; I61-L88 WeakPolarHBondContact CA-O 3.4Å; I61-L88 HydrophobicContact CD1-CD2 4.27Å; I61-L88 HydrophobicContact CG1-CB 4.35Å; I61-L88 HydrophobicContact CG1-CD2 4.38Å; I61-L88 HydrophobicContact CG2-CB 4.5Å; I61-L88 HydrophobicContact CG2-CD2 4.25Å; I61-L88 HydrophobicContact CG2-CG 4.38Å; C62-L88 PolarHBondContact N-O 3.04Å; L88-L90 HydrophobicContact CD2-CD2 4.3Å; L88-L90 HydrophobicContact CG-CD2 4.38Å; L88-F119 WeakPolarHBondContact CA-O 3.32Å; L88-F119 HydrophobicContact CD1-CB 3.74Å; L88-L121 HydrophobicContact CD1-CD1 4.26Å; L88-L121 HydrophobicContact CD1-CD2 4.12Å; L88-L121 HydrophobicContact CD1-CG 3.8Å; L88-A163 HydrophobicContact CD1-CB 4.26Å; L88-A163 HydrophobicContact CD2-CB 3.96Å; L88-C171 HydrophobicContact CD2-CB 3.87Å
89F98.9Very high98.1Very high0 Ų032.5 Ų32.50%017%0.167CC..EExtended strand (participates in β ladder)trans-101141.1169.3-68.3-108.2000111C62 I65 L72 F76 Y87 Y93 L107 F118 F119 L120 L121C62-F89 HydrophobicContact CB-CD1 3.56Å; C62-F89 HydrophobicContact CB-CE1 3.61Å; C62-F89 HydrophobicContact CB-CG 4.1Å; C62-F89 HydrophobicContact CB-CZ 4.18Å; C62-F89 CarbonylContact O-C 3.58Å; C62-F89 WeakPolarHBondContact O-CA 3.31Å; I65-F89 HydrophobicContact CD1-CD1 4.37Å; I65-F89 HydrophobicContact CD1-CE1 4.01Å; I65-F89 HydrophobicContact CG1-CD1 4.07Å; I65-F89 HydrophobicContact CG1-CE1 4.07Å; L72-F89 HydrophobicContact CD1-CE1 3.68Å; L72-F89 HydrophobicContact CD1-CZ 3.81Å; F76-F89 HydrophobicContact CE1-CE2 4.16Å; F76-F89 AromaticContact CE1-CZ 3.84Å; F76-F89 HydrophobicContact CE1-CZ 3.84Å; F76-F89 HydrophobicContact CZ-CE2 4.12Å; F76-F89 AromaticContact CZ-CZ 3.71Å; F76-F89 HydrophobicContact CZ-CZ 3.71Å; Y87-F89 AromaticContact CD1-CE2 3.89Å; Y87-F89 HydrophobicContact CD1-CE2 3.89Å; Y87-F89 HydrophobicContact CD1-CZ 4.23Å; Y87-F89 HydrophobicContact CG-CE2 4.09Å; F89-Y93 HydrophobicContact CB-CE1 3.63Å; F89-Y93 HydrophobicContact CD1-CE1 4.47Å; F89-Y93 HydrophobicContact CG-CE1 4.32Å; F89-Y93 PolarHBondContact O-OH 3.16Å; F89-L107 HydrophobicContact CD1-CD2 4.43Å; F89-L107 HydrophobicContact CD2-CD2 4.32Å; F89-L107 HydrophobicContact CE1-CD2 4.13Å; F89-L107 HydrophobicContact CE2-CD2 4.01Å; F89-L107 HydrophobicContact CZ-CD2 3.92Å; F89-F118 HydrophobicContact CD2-CE1 4.47Å; F89-F118 HydrophobicContact CD2-CE2 4.42Å; F89-F118 AromaticContact CD2-CZ 3.94Å; F89-F118 HydrophobicContact CD2-CZ 3.94Å; F89-F118 HydrophobicContact CE2-CE1 4.42Å; F89-F118 AromaticContact CE2-CE2 3.75Å; F89-F118 HydrophobicContact CE2-CE2 3.75Å; F89-F118 AromaticContact CE2-CZ 3.49Å; F89-F118 HydrophobicContact CE2-CZ 3.49Å; F89-F118 VanDerWaalsContact CE2-CZ 3.49Å; F89-F118 HydrophobicContact CZ-CZ 4.37Å; F89-F119 PolarHBondContact N-O 3.06Å; F89-L120 HydrophobicContact CB-CD2 3.77Å; F89-L120 HydrophobicContact CD2-CD2 3.84Å; F89-L120 HydrophobicContact CG-CD2 3.97Å; F89-L121 WeakPolarHBondContact O-CB 3.44Å; F89-L121 PolarHBondContact O-N 3.17Å
90L98.9Very high98.2Very high0 Ų032.2 Ų32.20%016%0.164CC..  trans-91.811.7-173-59.2177.8000113.8I61 C62 L88 L121 C171 H173 A247 L266I61-L90 HydrophobicContact CG2-CD1 3.84Å; I61-L90 HydrophobicContact CG2-CD2 3.79Å; I61-L90 HydrophobicContact CG2-CG 3.76Å; C62-L90 WeakPolarHBondContact O-CB 3.33Å; C62-L90 WeakPolarHBondContact O-CG 3.19Å; C62-L90 PolarHBondContact O-N 3.33Å; L88-L90 HydrophobicContact CD2-CD2 4.3Å; L88-L90 HydrophobicContact CG-CD2 4.38Å; L90-L121 HydrophobicContact CD2-CD1 3.84Å; L90-C171 HydrophobicContact CD2-CB 3.9Å; L90-H173 WeakPolarHBondContact O-CA 3.4Å; L90-H173 WeakPolarHBondContact O-CB 3.29Å; L90-H173 VanDerWaalsContact O-CG 3.28Å; L90-H173 PolarHBondContact O-ND1 2.76Å; L90-A247 HydrophobicContact CB-CB 3.75Å; L90-A247 HydrophobicContact CD1-CB 3.95Å; L90-L266 HydrophobicContact CD1-CB 4.45Å; L90-L266 HydrophobicContact CD1-CD1 4.32Å
91G98.8Very high98.2Very high0 Ų031.7 Ų31.70%016%0.157CC..SBendtrans104.5-172.1-179.800000114.5Y93G91-Y93 PolarHBondContact N-OH 2.92Å
92D98.9Very high98.2Very high2 Ų230.5 Ų30.51%0.01115%0.153CC..  trans57.460.8177.8-8218.4000112.7D64 I65 H66 G123 N124 H125 E126 H173D64-D92 HydrophobicContact CB-CB 3.98Å; I65-D92 PolarHBondContact N-O 2.8Å; H66-D92 IonicContact CE1-OD2 3.61Å; H66-D92 PolarHBondContact CE1-OD2 3.2Å; H66-D92 PolarHBondContact N-O 2.64Å; H66-D92 IonicContact NE2-OD2 3.67Å; H66-D92 PolarHBondContact NE2-OD2 2.81Å; D92-G123 WeakPolarHBondContact OD1-CA 3.45Å; D92-N124 PolarHBondContact OD1-N 3.26Å; D92-N124 PolarHBondContact OD1-OD1 3.22Å; D92-N124 PolarHBondContact OD2-OD1 2.91Å; D92-H125 WeakPolarHBondContact OD1-CB 3.42Å; D92-H125 IonicContact OD1-CD2 3.06Å; D92-H125 IonicContact OD1-CG 3.81Å; D92-H125 PolarHBondContact OD1-N 2.89Å; D92-H125 IonicContact OD2-CD2 2.71Å; D92-H125 PolarHBondContact OD2-CD2 3.4Å; D92-H125 IonicContact OD2-CG 3.08Å; D92-H125 IonicContact OD2-NE2 3.32Å; D92-E126 PolarHBondContact N-OE2 3.3Å; D92-H173 VanDerWaalsContact CG-NE2 3.34Å; D92-H173 IonicContact OD1-CE1 3.53Å; D92-H173 IonicContact OD1-NE2 3.46Å; D92-H173 PolarHBondContact OD1-NE2 2.81Å; D92-H173 IonicContact OD2-CE1 2.73Å; D92-H173 PolarHBondContact OD2-CE1 2.84Å; D92-H173 IonicContact OD2-NE2 3.72Å; D92-H173 PolarHBondContact OD2-NE2 2.9Å
93Y98.9Very high98.3Very high0 Ų030 Ų300%015%0.149CC..  trans-84.3-32.5-178.6-48.9-55.3000112.3G67 F89 G91 T103 I104 L107 L120 L121 E126 L159G67-Y93 PolarHBondContact N-O 2.76Å; F89-Y93 HydrophobicContact CB-CE1 3.63Å; F89-Y93 HydrophobicContact CD1-CE1 4.47Å; F89-Y93 HydrophobicContact CG-CE1 4.32Å; F89-Y93 PolarHBondContact O-OH 3.16Å; G91-Y93 PolarHBondContact N-OH 2.92Å; Y93-T103 WeakPolarHBondContact O-CG2 3.37Å; Y93-I104 HydrophobicContact CD2-CD1 3.78Å; Y93-I104 HydrophobicContact CG-CD1 4.02Å; Y93-L107 HydrophobicContact CD1-CD1 3.3Å; Y93-L107 HydrophobicContact CE1-CD1 3.86Å; Y93-L107 HydrophobicContact CG-CD1 3.79Å; Y93-L120 HydrophobicContact CE1-CD2 3.99Å; Y93-L120 HydrophobicContact CE2-CB 4.48Å; Y93-L120 WeakPolarHBondContact OH-CA 3.34Å; Y93-L120 WeakPolarHBondContact OH-CB 3.13Å; Y93-L121 WeakPolarHBondContact CE2-O 3.48Å; Y93-L121 VanDerWaalsContact CZ-O 3.3Å; Y93-L121 PolarHBondContact OH-N 3.02Å; Y93-L121 VanDerWaalsContact OH-N 3.15Å; Y93-L121 PolarHBondContact OH-O 2.89Å; Y93-E126 HydrophobicContact CD2-CG 3.71Å; Y93-E126 WeakPolarHBondContact CD2-OE1 3.23Å; Y93-E126 HydrophobicContact CE2-CG 4.1Å; Y93-E126 PolarHBondContact N-OE1 2.83Å; Y93-L159 HydrophobicContact CE2-CD1 4.27Å
94V98.9Very high98.3Very high0 Ų026.7 Ų26.70%013%0.127CC..SBendtrans-113.4178.5-170.7-57.70000111.9H66 I104 H125 N131 F136 F156H66-V94 PolarHBondContact ND1-O 2.83Å; V94-I104 HydrophobicContact CG1-CB 4.1Å; V94-I104 HydrophobicContact CG1-CG2 4.31Å; V94-H125 HydrophobicContact CG2-CB 4.45Å; V94-N131 HydrophobicContact CG2-CB 4.19Å; V94-F136 HydrophobicContact CB-CB 4.03Å; V94-F136 HydrophobicContact CB-CD1 4.28Å; V94-F136 HydrophobicContact CB-CD2 3.86Å; V94-F136 HydrophobicContact CB-CE2 4.36Å; V94-F136 HydrophobicContact CB-CG 3.8Å; V94-F136 HydrophobicContact CG1-CD1 4.29Å; V94-F136 HydrophobicContact CG1-CD2 3.81Å; V94-F136 HydrophobicContact CG1-CE1 4.28Å; V94-F136 HydrophobicContact CG1-CE2 3.79Å; V94-F136 HydrophobicContact CG1-CG 4.06Å; V94-F136 HydrophobicContact CG1-CZ 4.03Å; V94-F136 HydrophobicContact CG2-CB 4.1Å; V94-F136 HydrophobicContact CG2-CD1 4.14Å; V94-F136 HydrophobicContact CG2-CG 4.03Å; V94-F156 HydrophobicContact CG1-CZ 4.08Å; V94-F156 HydrophobicContact CG2-CE2 4.45Å
95D98.5Very high98.4Very high0 Ų019.7 Ų19.70%010%0.095CC..SBendtrans67.9166.4-177.2-64.2-38.9000114.7H66 G97 S100 H125 N131 Y134 G135 F136H66-D95 CarbonylContact C-O 3.59Å; H66-D95 WeakPolarHBondContact CA-O 3.21Å; H66-D95 WeakPolarHBondContact CB-O 3.47Å; H66-D95 VanDerWaalsContact O-O 3.07Å; D95-G97 PolarHBondContact O-N 2.67Å; D95-S100 PolarHBondContact N-OG 2.88Å; D95-S100 VanDerWaalsContact N-OG 3.08Å; D95-H125 VanDerWaalsContact CB-ND1 3.34Å; D95-H125 WeakPolarHBondContact CB-ND1 3Å; D95-H125 IonicContact OD2-CE1 3.99Å; D95-H125 IonicContact OD2-CG 3.87Å; D95-H125 IonicContact OD2-ND1 3.98Å; D95-H125 PolarHBondContact OD2-ND1 3.17Å; D95-N131 WeakPolarHBondContact OD1-CA 3.46Å; D95-N131 WeakPolarHBondContact OD2-CA 3.5Å; D95-N131 WeakPolarHBondContact OD2-CB 3.19Å; D95-Y134 WeakPolarHBondContact CB-O 3.37Å; D95-Y134 VanDerWaalsContact OD1-C 3.26Å; D95-G135 PolarHBondContact OD1-N 3.08Å; D95-G135 VanDerWaalsContact OD1-N 3.13Å; D95-F136 WeakPolarHBondContact OD1-CB 3.33Å; D95-F136 PolarHBondContact OD1-N 3.29Å
96R96.3Very high98.4Very high120 Ų12018.3 Ų18.345%0.4539%0.086SC..SBendtrans65.8-50.9173.4-52.4-83.9-171.8178.50.8114.9H66 Y134 Y272H66-R96 HydrophobicContact CB-CB 4.34Å; R96-Y134 PolarHBondContact N-O 3.02Å; R96-Y272 HydrophobicContact CB-CE2 4.41Å; R96-Y272 WeakPolarHBondContact CG-OH 3.48Å
97G94.8Very high98.4Very high23 Ų2316.5 Ų16.524%0.2378%0.076CC..SBendtrans-77.4-179.8173.700000113.7H66 D95H66-G97 WeakPolarHBondContact O-CA 3.26Å; H66-G97 PolarHBondContact O-N 2.86Å; D95-G97 PolarHBondContact O-N 2.67Å
98K95.6Very high98.4Very high183 Ų18316.6 Ų16.680%0.7968%0.076SC*.SBendtrans-95-17.5-166.3-64.2178.6-178.3172.90114.4
99Q98.3Very high98.4Very high9 Ų916.6 Ų16.64%0.0428%0.076CC..  trans-138.154.9-169-64.2-171.6-94.100110.5G25 K26 N27 G67 L101 E102 T103G25-Q99 VanDerWaalsContact CA-OE1 3.28Å; K26-Q99 PolarHBondContact O-NE2 2.73Å; N27-Q99 PolarHBondContact OD1-NE2 2.87Å; G67-Q99 CarbonylContact O-C 3.2Å; G67-Q99 PolarHBondContact O-N 3.29Å; G67-Q99 VanDerWaalsContact O-N 3.1Å; Q99-L101 VanDerWaalsContact C-N 3.29Å; Q99-L101 PolarHBondContact O-N 3.14Å; Q99-E102 HydrophobicContact CB-CB 4.47Å; Q99-E102 WeakPolarHBondContact CB-OE2 3.4Å; Q99-T103 WeakPolarHBondContact O-CB 3.41Å; Q99-T103 PolarHBondContact O-N 3.49Å; Q99-T103 PolarHBondContact O-OG1 3.11Å
100S98.8Very high98.4Very high0 Ų016.8 Ų16.80%08%0.077CC..Hα-helixtrans-64.5-37.2178-580000110.9D95 T103 I104 E139D95-S100 PolarHBondContact N-OG 2.88Å; D95-S100 VanDerWaalsContact N-OG 3.08Å; S100-T103 WeakPolarHBondContact O-CB 3.38Å; S100-T103 PolarHBondContact O-N 3.12Å; S100-I104 VanDerWaalsContact O-CG2 3.3Å; S100-I104 WeakPolarHBondContact O-CG2 3.47Å; S100-I104 PolarHBondContact O-N 3.11Å; S100-E139 WeakPolarHBondContact CA-OE2 3.38Å; S100-E139 WeakPolarHBondContact CB-OE2 3.15Å; S100-E139 PolarHBondContact N-OE2 3.2Å; S100-E139 PolarHBondContact OG-OE2 2.91Å
101L98.9Very high98.4Very high3 Ų316.9 Ų16.92%0.0168%0.077CC..Hα-helixtrans-61.8-49.6179.1-80.7160.8000112.3Q99 T103 C105 F136 E139 R143 Y144 F152Q99-L101 VanDerWaalsContact C-N 3.29Å; Q99-L101 PolarHBondContact O-N 3.14Å; L101-T103 VanDerWaalsContact C-N 3.31Å; L101-T103 PolarHBondContact O-N 2.68Å; L101-C105 WeakPolarHBondContact O-CB 3.43Å; L101-C105 PolarHBondContact O-N 2.85Å; L101-C105 PolarHBondContact O-SG 3.15Å; L101-F136 HydrophobicContact CD2-CE2 4.12Å; L101-F136 HydrophobicContact CG-CE2 4.16Å; L101-E139 WeakPolarHBondContact CB-OE1 3.32Å; L101-E139 HydrophobicContact CD1-CG 3.99Å; L101-E139 WeakPolarHBondContact CD1-OE1 3.28Å; L101-E139 PolarHBondContact N-OE1 3.26Å; L101-R143 HydrophobicContact CD1-CB 4.06Å; L101-R143 HydrophobicContact CD1-CG 4.44Å; L101-Y144 HydrophobicContact CD1-CD2 3.88Å; L101-Y144 HydrophobicContact CD1-CE2 3.83Å; L101-Y144 HydrophobicContact CD2-CD2 4.46Å; L101-Y144 HydrophobicContact CD2-CE2 4.43Å; L101-F152 HydrophobicContact CD2-CE2 3.59Å; L101-F152 HydrophobicContact CD2-CZ 3.86Å
102E98.9Very high98.4Very high3 Ų318 Ų181%0.0148%0.083CC..Hα-helixtrans-61.8-41.8176.6-73.182.5174.700112L16 N27 V28 Y69 Q99 C105 L106 R143L16-E102 HydrophobicContact CD2-CB 4.36Å; L16-E102 HydrophobicContact CD2-CG 4.39Å; N27-E102 VanDerWaalsContact CA-OE1 3.24Å; N27-E102 WeakPolarHBondContact CA-OE1 3.42Å; N27-E102 WeakPolarHBondContact CB-OE1 3.31Å; V28-E102 HydrophobicContact CB-CG 3.96Å; V28-E102 HydrophobicContact CG2-CG 4.12Å; V28-E102 PolarHBondContact N-OE1 3.04Å; Y69-E102 HydrophobicContact CD1-CB 3.6Å; Y69-E102 HydrophobicContact CD1-CG 4.13Å; Y69-E102 HydrophobicContact CD2-CB 3.69Å; Y69-E102 HydrophobicContact CE1-CB 3.73Å; Y69-E102 HydrophobicContact CE1-CG 4.12Å; Y69-E102 HydrophobicContact CE2-CB 3.83Å; Y69-E102 WeakPolarHBondContact CE2-O 3.47Å; Y69-E102 HydrophobicContact CG-CB 3.56Å; Q99-E102 HydrophobicContact CB-CB 4.47Å; Q99-E102 WeakPolarHBondContact CB-OE2 3.4Å; E102-C105 PolarHBondContact O-N 3.43Å; E102-L106 WeakPolarHBondContact O-CB 3.29Å; E102-L106 PolarHBondContact O-N 2.88Å; E102-R143 VanDerWaalsContact CD-NH1 3.26Å; E102-R143 IonicContact OE1-CZ 2.85Å; E102-R143 VanDerWaalsContact OE1-CZ 3.32Å; E102-R143 IonicContact OE1-NH1 3.62Å; E102-R143 PolarHBondContact OE1-NH1 3.4Å; E102-R143 VanDerWaalsContact OE1-NH1 3.08Å; E102-R143 IonicContact OE1-NH2 2.96Å; E102-R143 PolarHBondContact OE1-NH2 3.26Å; E102-R143 IonicContact OE2-CZ 2.67Å; E102-R143 IonicContact OE2-NH1 3.16Å; E102-R143 PolarHBondContact OE2-NH1 3.08Å; E102-R143 IonicContact OE2-NH2 2.85Å
103T98.9Very high98.4Very high0 Ų021.7 Ų21.70%010%0.099CC..Hα-helixtrans-57.2-60178.6-59.10000110.5I65 G67 Y69 L72 Y93 Q99 S100 L101 C105 L106 L107I65-T103 HydrophobicContact CB-CG2 4.26Å; I65-T103 HydrophobicContact CG2-CG2 3.53Å; G67-T103 WeakPolarHBondContact CA-OG1 3.32Å; Y69-T103 WeakPolarHBondContact CA-OG1 3.18Å; Y69-T103 WeakPolarHBondContact CB-OG1 3.44Å; L72-T103 HydrophobicContact CD2-CG2 3.94Å; Y93-T103 WeakPolarHBondContact O-CG2 3.37Å; Q99-T103 WeakPolarHBondContact O-CB 3.41Å; Q99-T103 PolarHBondContact O-N 3.49Å; Q99-T103 PolarHBondContact O-OG1 3.11Å; S100-T103 WeakPolarHBondContact O-CB 3.38Å; S100-T103 PolarHBondContact O-N 3.12Å; L101-T103 VanDerWaalsContact C-N 3.31Å; L101-T103 PolarHBondContact O-N 2.68Å; T103-C105 VanDerWaalsContact C-N 3.35Å; T103-C105 PolarHBondContact O-N 2.82Å; T103-L106 PolarHBondContact O-N 2.93Å; T103-L107 HydrophobicContact CG2-CD1 4.25Å; T103-L107 WeakPolarHBondContact O-CG 3.16Å; T103-L107 PolarHBondContact O-N 3.24Å; T103-L107 VanDerWaalsContact O-N 3.16Å
104I98.9Very high98.3Very high1 Ų124.2 Ų24.21%0.00511%0.109CC..Hα-helixtrans-67.7-35.3-177.4-167.858.1000112.1Y93 V94 S100 L106 L107 L108 F136 F152 F156Y93-I104 HydrophobicContact CD2-CD1 3.78Å; Y93-I104 HydrophobicContact CG-CD1 4.02Å; V94-I104 HydrophobicContact CG1-CB 4.1Å; V94-I104 HydrophobicContact CG1-CG2 4.31Å; S100-I104 VanDerWaalsContact O-CG2 3.3Å; S100-I104 WeakPolarHBondContact O-CG2 3.47Å; S100-I104 PolarHBondContact O-N 3.11Å; I104-L106 VanDerWaalsContact C-N 3.34Å; I104-L106 PolarHBondContact O-N 3.35Å; I104-L107 PolarHBondContact O-N 3.13Å; I104-L108 HydrophobicContact CD1-CD2 4.24Å; I104-L108 HydrophobicContact CD1-CG 4.11Å; I104-L108 HydrophobicContact CG1-CD1 4.13Å; I104-L108 HydrophobicContact CG1-CG 4.07Å; I104-L108 WeakPolarHBondContact O-CB 3.24Å; I104-L108 VanDerWaalsContact O-CG 3.27Å; I104-L108 WeakPolarHBondContact O-CG 3.41Å; I104-L108 PolarHBondContact O-N 2.87Å; I104-F136 HydrophobicContact CG2-CE2 4.29Å; I104-F136 HydrophobicContact CG2-CZ 4.22Å; I104-F152 HydrophobicContact CG1-CD1 4.48Å; I104-F152 HydrophobicContact CG1-CE1 4.21Å; I104-F152 HydrophobicContact CG2-CD1 4.27Å; I104-F152 HydrophobicContact CG2-CE1 3.52Å; I104-F152 HydrophobicContact CG2-CZ 3.9Å; I104-F156 HydrophobicContact CD1-CE1 3.86Å; I104-F156 HydrophobicContact CD1-CZ 4.44Å; I104-F156 HydrophobicContact CG1-CE1 3.76Å; I104-F156 HydrophobicContact CG1-CZ 4.02Å
105C98.9Very high98.3Very high3 Ų326.1 Ų26.12%0.0212%0.121CC..Hα-helixtrans-62.6-40.8177.7-71.30000112L16 L30 L38 L101 E102 T103 A109L16-C105 HydrophobicContact CD1-CB 4.21Å; L16-C105 HydrophobicContact CD2-CB 4.39Å; L30-C105 HydrophobicContact CD1-CB 3.89Å; L38-C105 HydrophobicContact CD1-CB 3.86Å; L101-C105 WeakPolarHBondContact O-CB 3.43Å; L101-C105 PolarHBondContact O-N 2.85Å; L101-C105 PolarHBondContact O-SG 3.15Å; E102-C105 PolarHBondContact O-N 3.43Å; T103-C105 VanDerWaalsContact C-N 3.35Å; T103-C105 PolarHBondContact O-N 2.82Å; C105-A109 VanDerWaalsContact O-CB 3.24Å; C105-A109 WeakPolarHBondContact O-CB 3.34Å; C105-A109 PolarHBondContact O-N 3.25Å
106L98.9Very high98.3Very high0 Ų032.1 Ų32.10%015%0.149CC..Hα-helixtrans-66.8-44.4177-177.160.7000111.7L16 L17 Y69 L72 L73 F76 E102 T103 I104 A109 Y110L16-L106 HydrophobicContact CB-CD1 4.06Å; L16-L106 HydrophobicContact CD1-CB 4.08Å; L16-L106 HydrophobicContact CD1-CD1 4.16Å; L17-L106 HydrophobicContact CD2-CD1 4.13Å; L17-L106 HydrophobicContact CD2-CD2 4.03Å; Y69-L106 HydrophobicContact CE2-CB 4.06Å; Y69-L106 HydrophobicContact CE2-CD2 3.77Å; L72-L106 HydrophobicContact CD2-CD2 4.41Å; L73-L106 HydrophobicContact CD2-CD2 3.82Å; F76-L106 HydrophobicContact CD2-CD2 4.41Å; F76-L106 HydrophobicContact CE2-CD2 4.09Å; E102-L106 WeakPolarHBondContact O-CB 3.29Å; E102-L106 PolarHBondContact O-N 2.88Å; T103-L106 PolarHBondContact O-N 2.93Å; I104-L106 VanDerWaalsContact C-N 3.34Å; I104-L106 PolarHBondContact O-N 3.35Å; L106-A109 PolarHBondContact O-N 2.9Å; L106-Y110 HydrophobicContact CD1-CD2 3.99Å; L106-Y110 HydrophobicContact CD1-CE2 3.51Å; L106-Y110 HydrophobicContact CD2-CE2 4.06Å; L106-Y110 HydrophobicContact CG-CD2 3.94Å; L106-Y110 HydrophobicContact CG-CE2 3.63Å; L106-Y110 WeakPolarHBondContact O-CD2 3.48Å; L106-Y110 PolarHBondContact O-N 2.91Å
107L98.9Very high98.5Very high0 Ų029.5 Ų29.50%014%0.144CC..Hα-helixtrans-61.3-45.3177.7-64.6177.1000111.7L72 F76 F89 Y93 T103 I104 Y110 K111 F118 L120L72-L107 HydrophobicContact CD1-CD2 4.23Å; L72-L107 HydrophobicContact CD2-CD2 3.96Å; L72-L107 HydrophobicContact CD2-CG 4.11Å; F76-L107 HydrophobicContact CZ-CD2 4.22Å; F89-L107 HydrophobicContact CD1-CD2 4.43Å; F89-L107 HydrophobicContact CD2-CD2 4.32Å; F89-L107 HydrophobicContact CE1-CD2 4.13Å; F89-L107 HydrophobicContact CE2-CD2 4.01Å; F89-L107 HydrophobicContact CZ-CD2 3.92Å; Y93-L107 HydrophobicContact CD1-CD1 3.3Å; Y93-L107 HydrophobicContact CE1-CD1 3.86Å; Y93-L107 HydrophobicContact CG-CD1 3.79Å; T103-L107 HydrophobicContact CG2-CD1 4.25Å; T103-L107 WeakPolarHBondContact O-CG 3.16Å; T103-L107 PolarHBondContact O-N 3.24Å; T103-L107 VanDerWaalsContact O-N 3.16Å; I104-L107 PolarHBondContact O-N 3.13Å; L107-Y110 PolarHBondContact O-N 2.76Å; L107-K111 PolarHBondContact O-N 3.25Å; L107-F118 HydrophobicContact CB-CE1 4.35Å; L107-F118 HydrophobicContact CD2-CE1 4.04Å; L107-F118 HydrophobicContact CD2-CZ 3.62Å; L107-F118 WeakPolarHBondContact O-CE1 3.38Å; L107-L120 HydrophobicContact CB-CD1 3.89Å; L107-L120 HydrophobicContact CB-CD2 4.13Å; L107-L120 HydrophobicContact CD1-CD2 4.34Å; L107-L120 HydrophobicContact CD2-CD2 4.28Å; L107-L120 HydrophobicContact CG-CD2 4.48Å
108L98.9Very high98.7Very high1 Ų128.4 Ų28.41%0.00513%0.133CC..Hα-helixtrans-66-38.8176.1-64.5-175.5000112L38 F46 I104 K111 I112 L120 F152L38-L108 HydrophobicContact CB-CB 4.32Å; F46-L108 HydrophobicContact CE2-CD2 3.92Å; F46-L108 HydrophobicContact CZ-CD2 3.91Å; I104-L108 HydrophobicContact CD1-CD2 4.24Å; I104-L108 HydrophobicContact CD1-CG 4.11Å; I104-L108 HydrophobicContact CG1-CD1 4.13Å; I104-L108 HydrophobicContact CG1-CG 4.07Å; I104-L108 WeakPolarHBondContact O-CB 3.24Å; I104-L108 VanDerWaalsContact O-CG 3.27Å; I104-L108 WeakPolarHBondContact O-CG 3.41Å; I104-L108 PolarHBondContact O-N 2.87Å; L108-K111 PolarHBondContact O-N 2.97Å; L108-I112 WeakPolarHBondContact O-CD1 3.33Å; L108-I112 VanDerWaalsContact O-CG1 3.26Å; L108-I112 WeakPolarHBondContact O-CG1 3.47Å; L108-I112 PolarHBondContact O-N 3.1Å; L108-L120 HydrophobicContact CD2-CD1 4.22Å; L108-F152 HydrophobicContact CD1-CE1 4.23Å
109A98.9Very high98.8Very high0 Ų020.6 Ų20.60%010%0.099CC..Hα-helixtrans-62.6-42.6176.300000111.6I12 I13 L38 C105 L106 I112 K113I12-A109 HydrophobicContact CG2-CB 4.43Å; I13-A109 HydrophobicContact CD1-CB 4.23Å; I13-A109 HydrophobicContact CG1-CB 3.66Å; L38-A109 HydrophobicContact CD2-CB 3.85Å; C105-A109 VanDerWaalsContact O-CB 3.24Å; C105-A109 WeakPolarHBondContact O-CB 3.34Å; C105-A109 PolarHBondContact O-N 3.25Å; L106-A109 PolarHBondContact O-N 2.9Å; A109-I112 PolarHBondContact O-N 2.79Å; A109-K113 WeakPolarHBondContact O-CB 3.4Å; A109-K113 PolarHBondContact O-N 3.35Å
110Y98.9Very high98.8Very high5 Ų520.2 Ų20.22%0.0210%0.097CC..Hα-helixtrans-66.4-37.8172.8-75.4-43.3000113I13 L17 F76 F81 P82 L106 L107 I112 K113 Y114 F118I13-Y110 HydrophobicContact CD1-CD1 4.05Å; I13-Y110 HydrophobicContact CD1-CE1 4.17Å; I13-Y110 HydrophobicContact CG2-CE1 3.98Å; L17-Y110 WeakPolarHBondContact CD1-OH 3.43Å; F76-Y110 HydrophobicContact CD2-CE2 4.32Å; F76-Y110 HydrophobicContact CE2-CD2 4.28Å; F76-Y110 AromaticContact CE2-CE2 3.87Å; F76-Y110 HydrophobicContact CE2-CE2 3.87Å; F76-Y110 HydrophobicContact CZ-CD2 4.19Å; F76-Y110 HydrophobicContact CZ-CE2 4.14Å; F81-Y110 WeakPolarHBondContact CD1-OH 3.4Å; P82-Y110 HydrophobicContact CB-CD1 3.96Å; P82-Y110 HydrophobicContact CB-CE1 4.15Å; P82-Y110 HydrophobicContact CB-CG 4.24Å; P82-Y110 HydrophobicContact CG-CD1 4.17Å; P82-Y110 HydrophobicContact CG-CD2 3.98Å; P82-Y110 HydrophobicContact CG-CE1 4.29Å; P82-Y110 HydrophobicContact CG-CE2 4.08Å; P82-Y110 HydrophobicContact CG-CG 4.04Å; L106-Y110 HydrophobicContact CD1-CD2 3.99Å; L106-Y110 HydrophobicContact CD1-CE2 3.51Å; L106-Y110 HydrophobicContact CD2-CE2 4.06Å; L106-Y110 HydrophobicContact CG-CD2 3.94Å; L106-Y110 HydrophobicContact CG-CE2 3.63Å; L106-Y110 WeakPolarHBondContact O-CD2 3.48Å; L106-Y110 PolarHBondContact O-N 2.91Å; L107-Y110 PolarHBondContact O-N 2.76Å; Y110-I112 VanDerWaalsContact C-N 3.26Å; Y110-I112 PolarHBondContact O-N 2.86Å; Y110-K113 PolarHBondContact O-N 3.04Å; Y110-Y114 AromaticContact CD1-CD2 3.95Å; Y110-Y114 HydrophobicContact CD1-CD2 3.95Å; Y110-Y114 AromaticContact CD1-CE2 3.77Å; Y110-Y114 HydrophobicContact CD1-CE2 3.77Å; Y110-Y114 HydrophobicContact CE1-CE2 4.16Å; Y110-Y114 PolarHBondContact O-N 3.21Å; Y110-F118 HydrophobicContact CD2-CE2 4.18Å; Y110-F118 HydrophobicContact CD2-CZ 4.18Å; Y110-F118 HydrophobicContact CG-CE2 4.42Å
111K98.9Very high98.9Very high1 Ų120.2 Ų20.20%0.00410%0.097CC..Hα-helixtrans-59.1-39.9173.5-178.658.6178.9170.80112.1I45 F46 Q49 L107 L108 P115 F118 L120I45-K111 HydrophobicContact CG2-CD 4.46Å; I45-K111 HydrophobicContact CG2-CG 4.48Å; F46-K111 HydrophobicContact CD1-CG 4.44Å; F46-K111 HydrophobicContact CE1-CD 4.01Å; F46-K111 HydrophobicContact CE1-CG 3.66Å; F46-K111 HydrophobicContact CZ-CG 3.93Å; Q49-K111 VanDerWaalsContact OE1-CE 3.3Å; L107-K111 PolarHBondContact O-N 3.25Å; L108-K111 PolarHBondContact O-N 2.97Å; K111-P115 PolarHBondContact NZ-O 3.02Å; K111-P115 VanDerWaalsContact O-CA 3.23Å; K111-P115 WeakPolarHBondContact O-CA 3.4Å; K111-F118 HydrophobicContact CB-CD1 4.33Å; K111-F118 WeakPolarHBondContact CD-O 3.48Å; K111-F118 PolarHBondContact NZ-O 2.81Å; K111-L120 HydrophobicContact CB-CD1 4.28Å
112I98.8Very high98.9Very high25 Ų2520.1 Ų20.113%0.12810%0.097CC..Hα-helixtrans-71.6-41177.9-63.8158.4000111.2L7 I9 L38 K41 I45 L108 A109 Y110L7-I112 HydrophobicContact CD2-CD1 4.48Å; I9-I112 HydrophobicContact CD1-CB 4.08Å; I9-I112 HydrophobicContact CD1-CD1 3.83Å; I9-I112 HydrophobicContact CD1-CG2 3.79Å; I9-I112 HydrophobicContact CG1-CB 4.49Å; I9-I112 HydrophobicContact CG1-CG2 3.79Å; L38-I112 HydrophobicContact CB-CD1 4.37Å; L38-I112 HydrophobicContact CD2-CD1 3.75Å; K41-I112 HydrophobicContact CB-CD1 3.87Å; K41-I112 HydrophobicContact CB-CG1 4.15Å; K41-I112 HydrophobicContact CG-CD1 4.25Å; K41-I112 HydrophobicContact CG-CG1 4.08Å; K41-I112 HydrophobicContact CG-CG2 3.86Å; I45-I112 HydrophobicContact CD1-CB 4.25Å; I45-I112 HydrophobicContact CD1-CG1 4.01Å; I45-I112 HydrophobicContact CD1-CG2 4.45Å; L108-I112 WeakPolarHBondContact O-CD1 3.33Å; L108-I112 VanDerWaalsContact O-CG1 3.26Å; L108-I112 WeakPolarHBondContact O-CG1 3.47Å; L108-I112 PolarHBondContact O-N 3.1Å; A109-I112 PolarHBondContact O-N 2.79Å; Y110-I112 VanDerWaalsContact C-N 3.26Å; Y110-I112 PolarHBondContact O-N 2.86Å
113K98.6Very high98.9Very high79 Ų7920 Ų2034%0.34310%0.096SC..Hα-helixtrans-71.5-37.2-177.7-172.967.1-178.2-171.50112.6I9 D10 I13 A109 Y110I9-K113 HydrophobicContact CG2-CB 3.98Å; I9-K113 HydrophobicContact CG2-CD 4.2Å; D10-K113 VanDerWaalsContact CG-NZ 3.3Å; D10-K113 WeakPolarHBondContact OD1-CD 3.1Å; D10-K113 WeakPolarHBondContact OD1-CE 3.4Å; D10-K113 IonicContact OD1-NZ 2.73Å; D10-K113 PolarHBondContact OD1-NZ 2.88Å; D10-K113 IonicContact OD2-NZ 3.74Å; D10-K113 PolarHBondContact OD2-NZ 3.19Å; D10-K113 VanDerWaalsContact OD2-NZ 3.12Å; I13-K113 HydrophobicContact CD1-CB 3.99Å; I13-K113 HydrophobicContact CD1-CG 4.19Å; A109-K113 WeakPolarHBondContact O-CB 3.4Å; A109-K113 PolarHBondContact O-N 3.35Å; Y110-K113 PolarHBondContact O-N 3.04Å
114Y98.8Very high98.8Very high53 Ų5320.1 Ų20.121%0.20810%0.097CC..  trans-132.563.1-172.8-50.1-62.2000111.2P82 P83 Y110 E116 N117 F118P82-Y114 HydrophobicContact CB-CD2 3.64Å; P82-Y114 HydrophobicContact CB-CE2 3.76Å; P82-Y114 WeakPolarHBondContact O-CE2 3.18Å; P83-Y114 HydrophobicContact CB-CD1 3.89Å; P83-Y114 HydrophobicContact CB-CE1 3.82Å; P83-Y114 HydrophobicContact CB-CE2 4.49Å; P83-Y114 HydrophobicContact CB-CG 4.29Å; P83-Y114 WeakPolarHBondContact CD-OH 3.09Å; P83-Y114 HydrophobicContact CG-CD1 4.31Å; P83-Y114 HydrophobicContact CG-CE1 3.73Å; Y110-Y114 AromaticContact CD1-CD2 3.95Å; Y110-Y114 HydrophobicContact CD1-CD2 3.95Å; Y110-Y114 AromaticContact CD1-CE2 3.77Å; Y110-Y114 HydrophobicContact CD1-CE2 3.77Å; Y110-Y114 HydrophobicContact CE1-CE2 4.16Å; Y110-Y114 PolarHBondContact O-N 3.21Å; Y114-E116 PolarHBondContact O-N 3.5Å; Y114-E116 VanDerWaalsContact O-N 3.11Å; Y114-N117 PolarHBondContact O-N 2.93Å; Y114-N117 VanDerWaalsContact O-N 3.11Å; Y114-F118 WeakPolarHBondContact O-CB 3.36Å; Y114-F118 PolarHBondContact O-N 3.13Å
115P98.8Very high98.8Very high39 Ų3920.6 Ų20.625%0.25310%0.099SC..THydrogen-bonded Turntrans-61.4-26-170.424.2-34.4000114.2I45 Q49 K111I45-P115 HydrophobicContact CG2-CB 3.95Å; Q49-P115 PolarHBondContact NE2-O 3.13Å; K111-P115 PolarHBondContact NZ-O 3.02Å; K111-P115 VanDerWaalsContact O-CA 3.23Å; K111-P115 WeakPolarHBondContact O-CA 3.4Å
116E98.6Very high98.8Very high127 Ų12720.4 Ų20.459%0.59310%0.098SC*.THydrogen-bonded Turntrans-102.83.9-178.3-53.1-50.4129.800113.5Q49 Y114 F119Q49-E116 PolarHBondContact NE2-OE1 2.92Å; Y114-E116 PolarHBondContact O-N 3.5Å; Y114-E116 VanDerWaalsContact O-N 3.11Å; E116-F119 VanDerWaalsContact C-CZ 3.47Å; E116-F119 WeakPolarHBondContact O-CZ 3.43Å
117N98.6Very high98.8Very high64 Ų6420.5 Ų20.534%0.34210%0.099SC..THydrogen-bonded Turntrans-128.2-7179.2-57.594.7000112.7N86 Y87 Y114N86-N117 CarbonylContact C-O 3.59Å; N86-N117 WeakPolarHBondContact CA-O 3.33Å; N86-N117 VanDerWaalsContact OD1-CB 3.26Å; N86-N117 WeakPolarHBondContact OD1-CB 3.31Å; N86-N117 PolarHBondContact OD1-ND2 2.82Å; Y87-N117 PolarHBondContact N-O 3.01Å; Y114-N117 PolarHBondContact O-N 2.93Å; Y114-N117 VanDerWaalsContact O-N 3.11Å
118F98.9Very high98.7Very high0 Ų021.4 Ų21.40%011%0.106CC..EExtended strand (participates in β ladder)trans-134.8119.4-176-161.4-91.5000110.3F76 P82 Y87 F89 L107 Y110 K111 Y114 L120F76-F118 HydrophobicContact CE1-CE2 4Å; F76-F118 HydrophobicContact CE1-CZ 4.5Å; F76-F118 AromaticContact CZ-CE2 3.96Å; F76-F118 HydrophobicContact CZ-CE2 3.96Å; F76-F118 HydrophobicContact CZ-CZ 4.04Å; P82-F118 HydrophobicContact CB-CD2 4.22Å; P82-F118 HydrophobicContact CG-CD2 3.67Å; P82-F118 HydrophobicContact CG-CE2 3.68Å; Y87-F118 HydrophobicContact CD2-CD2 4.25Å; Y87-F118 HydrophobicContact CD2-CE2 4.19Å; Y87-F118 HydrophobicContact CG-CD2 4.31Å; Y87-F118 HydrophobicContact CG-CE2 4.08Å; F89-F118 HydrophobicContact CD2-CE1 4.47Å; F89-F118 HydrophobicContact CD2-CE2 4.42Å; F89-F118 AromaticContact CD2-CZ 3.94Å; F89-F118 HydrophobicContact CD2-CZ 3.94Å; F89-F118 HydrophobicContact CE2-CE1 4.42Å; F89-F118 AromaticContact CE2-CE2 3.75Å; F89-F118 HydrophobicContact CE2-CE2 3.75Å; F89-F118 AromaticContact CE2-CZ 3.49Å; F89-F118 HydrophobicContact CE2-CZ 3.49Å; F89-F118 VanDerWaalsContact CE2-CZ 3.49Å; F89-F118 HydrophobicContact CZ-CZ 4.37Å; L107-F118 HydrophobicContact CB-CE1 4.35Å; L107-F118 HydrophobicContact CD2-CE1 4.04Å; L107-F118 HydrophobicContact CD2-CZ 3.62Å; L107-F118 WeakPolarHBondContact O-CE1 3.38Å; Y110-F118 HydrophobicContact CD2-CE2 4.18Å; Y110-F118 HydrophobicContact CD2-CZ 4.18Å; Y110-F118 HydrophobicContact CG-CE2 4.42Å; K111-F118 HydrophobicContact CB-CD1 4.33Å; K111-F118 WeakPolarHBondContact CD-O 3.48Å; K111-F118 PolarHBondContact NZ-O 2.81Å; Y114-F118 WeakPolarHBondContact O-CB 3.36Å; Y114-F118 PolarHBondContact O-N 3.13Å; F118-L120 HydrophobicContact CD1-CD2 4.41Å; F118-L120 HydrophobicContact CD1-CG 4.34Å; F118-L120 HydrophobicContact CE1-CD1 4.29Å; F118-L120 HydrophobicContact CE1-CD2 3.71Å; F118-L120 HydrophobicContact CE1-CG 4.04Å; F118-L120 HydrophobicContact CZ-CD2 4.39Å
119F98.9Very high98.6Very high20 Ų2025 Ų259%0.08813%0.131CC..EExtended strand (participates in β ladder)trans-128.9140.9-170.3-56-83.1000110.9L53 L55 Y87 L88 F89 E116L53-F119 HydrophobicContact CD1-CB 4.02Å; L53-F119 HydrophobicContact CD1-CD1 3.9Å; L53-F119 HydrophobicContact CD1-CG 4.29Å; L55-F119 HydrophobicContact CD1-CB 4.33Å; L55-F119 HydrophobicContact CD1-CD2 4.06Å; L55-F119 HydrophobicContact CD1-CG 4.08Å; L55-F119 HydrophobicContact CD2-CD1 3.73Å; L55-F119 HydrophobicContact CD2-CD2 3.89Å; L55-F119 HydrophobicContact CD2-CE1 3.52Å; L55-F119 HydrophobicContact CD2-CE2 3.7Å; L55-F119 HydrophobicContact CD2-CG 3.9Å; L55-F119 HydrophobicContact CD2-CZ 3.51Å; Y87-F119 WeakPolarHBondContact O-CD2 3.22Å; Y87-F119 PolarHBondContact O-N 3.26Å; L88-F119 WeakPolarHBondContact CA-O 3.32Å; L88-F119 HydrophobicContact CD1-CB 3.74Å; F89-F119 PolarHBondContact N-O 3.06Å; E116-F119 VanDerWaalsContact C-CZ 3.47Å; E116-F119 WeakPolarHBondContact O-CZ 3.43Å
120L99Very high98.6Very high1 Ų126 Ų261%0.00514%0.136CC..EExtended strand (participates in β ladder)trans-133.1114.8-175.4-63.2176.7000107.8F46 F89 Y93 L107 L108 K111 F118 L159 P160F46-L120 HydrophobicContact CE1-CB 4.3Å; F46-L120 HydrophobicContact CZ-CB 4.44Å; F46-L120 HydrophobicContact CZ-CD1 4.15Å; F89-L120 HydrophobicContact CB-CD2 3.77Å; F89-L120 HydrophobicContact CD2-CD2 3.84Å; F89-L120 HydrophobicContact CG-CD2 3.97Å; Y93-L120 HydrophobicContact CE1-CD2 3.99Å; Y93-L120 HydrophobicContact CE2-CB 4.48Å; Y93-L120 WeakPolarHBondContact OH-CA 3.34Å; Y93-L120 WeakPolarHBondContact OH-CB 3.13Å; L107-L120 HydrophobicContact CB-CD1 3.89Å; L107-L120 HydrophobicContact CB-CD2 4.13Å; L107-L120 HydrophobicContact CD1-CD2 4.34Å; L107-L120 HydrophobicContact CD2-CD2 4.28Å; L107-L120 HydrophobicContact CG-CD2 4.48Å; L108-L120 HydrophobicContact CD2-CD1 4.22Å; K111-L120 HydrophobicContact CB-CD1 4.28Å; F118-L120 HydrophobicContact CD1-CD2 4.41Å; F118-L120 HydrophobicContact CD1-CG 4.34Å; F118-L120 HydrophobicContact CE1-CD1 4.29Å; F118-L120 HydrophobicContact CE1-CD2 3.71Å; F118-L120 HydrophobicContact CE1-CG 4.04Å; F118-L120 HydrophobicContact CZ-CD2 4.39Å; L120-L159 HydrophobicContact CB-CD2 4.04Å; L120-P160 VanDerWaalsContact O-CD 3.27Å; L120-P160 WeakPolarHBondContact O-CD 3.3Å; L120-P160 WeakPolarHBondContact O-CG 3.38Å
121L98.9Very high98.6Very high0 Ų025.8 Ų25.80%014%0.135CC..PPolyproline II helixtrans-82.9171.4169.8-59.1-173.1000110.8L53 L88 F89 L90 Y93 P160 A163 C171L53-L121 HydrophobicContact CD1-CD2 3.97Å; L88-L121 HydrophobicContact CD1-CD1 4.26Å; L88-L121 HydrophobicContact CD1-CD2 4.12Å; L88-L121 HydrophobicContact CD1-CG 3.8Å; F89-L121 WeakPolarHBondContact O-CB 3.44Å; F89-L121 PolarHBondContact O-N 3.17Å; L90-L121 HydrophobicContact CD2-CD1 3.84Å; Y93-L121 WeakPolarHBondContact CE2-O 3.48Å; Y93-L121 VanDerWaalsContact CZ-O 3.3Å; Y93-L121 PolarHBondContact OH-N 3.02Å; Y93-L121 VanDerWaalsContact OH-N 3.15Å; Y93-L121 PolarHBondContact OH-O 2.89Å; L121-P160 CarbonylContact C-O 3.58Å; L121-P160 WeakPolarHBondContact CA-O 3.31Å; L121-P160 HydrophobicContact CD2-CB 4.27Å; L121-P160 HydrophobicContact CD2-CG 4.11Å; L121-A163 HydrophobicContact CD1-CB 4.47Å; L121-A163 HydrophobicContact CD2-CB 4.27Å; L121-C171 HydrophobicContact CD1-CB 4.27Å
122R98.9Very high98.6Very high1 Ų130.7 Ų30.70%0.00415%0.154CC..PPolyproline II helixtrans-93.2124.8175.5-160.6177.2-175.7173.14.4110.6E126 F156 N157 L159 P160 I161 H173 T193 L205R122-E126 HydrophobicContact CG-CB 3.82Å; R122-E126 PolarHBondContact NE-O 3.02Å; R122-E126 PolarHBondContact NH2-O 3Å; R122-F156 PolarHBondContact NE-O 3.39Å; R122-N157 PolarHBondContact NH2-OD1 2.94Å; R122-L159 HydrophobicContact CB-CB 3.72Å; R122-L159 HydrophobicContact CB-CD1 4.3Å; R122-L159 HydrophobicContact CG-CB 4.01Å; R122-L159 HydrophobicContact CG-CD1 4.09Å; R122-P160 PolarHBondContact N-O 2.85Å; R122-I161 HydrophobicContact CB-CD1 3.7Å; R122-I161 HydrophobicContact CG-CD1 4.32Å; R122-H173 WeakPolarHBondContact O-CB 3.41Å; R122-T193 PolarHBondContact NH1-O 3.36Å; R122-L205 HydrophobicContact CB-CD2 4.5Å; R122-L205 HydrophobicContact CG-CD2 4.15Å
123G98.9Very high98.5Very high0 Ų034.6 Ų34.60%017%0.174CC..PPolyproline II helixtrans-91.8173.9165.700000112.2D92 H125 E126 H173 L205D92-G123 WeakPolarHBondContact OD1-CA 3.45Å; G123-H125 PolarHBondContact O-N 2.87Å; G123-E126 VanDerWaalsContact CA-OE2 3.25Å; G123-E126 WeakPolarHBondContact CA-OE2 3.22Å; G123-E126 PolarHBondContact N-OE2 3.24Å; G123-E126 PolarHBondContact O-N 2.98Å; G123-H173 VanDerWaalsContact CA-CG 3.43Å; G123-L205 WeakPolarHBondContact O-CD2 3.44Å
124N98.8Very high98.4Very high3 Ų335.1 Ų35.12%0.01617%0.174CC..THydrogen-bonded Turntrans-71.4-19.217967.1-63.6000112.5D92 E126 C127 H173 L205 W206 H248D92-N124 PolarHBondContact OD1-N 3.26Å; D92-N124 PolarHBondContact OD1-OD1 3.22Å; D92-N124 PolarHBondContact OD2-OD1 2.91Å; N124-E126 VanDerWaalsContact C-N 3.35Å; N124-C127 PolarHBondContact O-SG 3.28Å; N124-H173 PolarHBondContact N-CD2 2.89Å; N124-H173 PolarHBondContact OD1-CD2 2.85Å; N124-H173 PolarHBondContact OD1-NE2 3.18Å; N124-L205 HydrophobicContact CB-CB 4.26Å; N124-W206 HydrophobicContact CB-CD2 3.88Å; N124-W206 VanDerWaalsContact CB-CE2 3.48Å; N124-W206 HydrophobicContact CB-CE3 4.43Å; N124-W206 HydrophobicContact CB-CG 4.33Å; N124-W206 HydrophobicContact CB-CH2 4.36Å; N124-W206 HydrophobicContact CB-CZ2 3.75Å; N124-W206 WeakPolarHBondContact ND2-CH2 3.48Å; N124-W206 WeakPolarHBondContact ND2-CZ2 3.39Å; N124-W206 WeakPolarHBondContact ND2-CZ3 3.49Å; N124-H248 PolarHBondContact OD1-CE1 3.22Å; N124-H248 VanDerWaalsContact OD1-CE1 3.25Å; N124-H248 PolarHBondContact OD1-ND1 3.13Å
125H98.8Very high98.4Very high10 Ų1033.8 Ų33.85%0.04618%0.177CC..THydrogen-bonded Turntrans-79.7-13.5173-77.3-101.7000113.8H66 D92 V94 D95 G123 C127 I130 N131H66-H125 AromaticContact CE1-CD2 3.61Å; H66-H125 AromaticContact CE1-CG 3.81Å; H66-H125 AromaticContact CE1-NE2 3.78Å; D92-H125 WeakPolarHBondContact OD1-CB 3.42Å; D92-H125 IonicContact OD1-CD2 3.06Å; D92-H125 IonicContact OD1-CG 3.81Å; D92-H125 PolarHBondContact OD1-N 2.89Å; D92-H125 IonicContact OD2-CD2 2.71Å; D92-H125 PolarHBondContact OD2-CD2 3.4Å; D92-H125 IonicContact OD2-CG 3.08Å; D92-H125 IonicContact OD2-NE2 3.32Å; V94-H125 HydrophobicContact CG2-CB 4.45Å; D95-H125 VanDerWaalsContact CB-ND1 3.34Å; D95-H125 WeakPolarHBondContact CB-ND1 3Å; D95-H125 IonicContact OD2-CE1 3.99Å; D95-H125 IonicContact OD2-CG 3.87Å; D95-H125 IonicContact OD2-ND1 3.98Å; D95-H125 PolarHBondContact OD2-ND1 3.17Å; G123-H125 PolarHBondContact O-N 2.87Å; H125-C127 PolarHBondContact O-N 2.77Å; H125-I130 HydrophobicContact CB-CG2 4.34Å; H125-I130 WeakPolarHBondContact ND1-CG2 3.4Å; H125-N131 WeakPolarHBondContact O-CB 3.49Å; H125-N131 PolarHBondContact O-ND2 3.19Å
126E98.9Very high98.4Very high0 Ų032 Ų320%017%0.165CC..SBendtrans-83.241171.8-75.774.5-128.500112.4D92 Y93 R122 G123 N124 F156 L159D92-E126 PolarHBondContact N-OE2 3.3Å; Y93-E126 HydrophobicContact CD2-CG 3.71Å; Y93-E126 WeakPolarHBondContact CD2-OE1 3.23Å; Y93-E126 HydrophobicContact CE2-CG 4.1Å; Y93-E126 PolarHBondContact N-OE1 2.83Å; R122-E126 HydrophobicContact CG-CB 3.82Å; R122-E126 PolarHBondContact NE-O 3.02Å; R122-E126 PolarHBondContact NH2-O 3Å; G123-E126 VanDerWaalsContact CA-OE2 3.25Å; G123-E126 WeakPolarHBondContact CA-OE2 3.22Å; G123-E126 PolarHBondContact N-OE2 3.24Å; G123-E126 PolarHBondContact O-N 2.98Å; N124-E126 VanDerWaalsContact C-N 3.35Å; E126-F156 HydrophobicContact CB-CB 4.02Å; E126-F156 HydrophobicContact CB-CD1 4.29Å; E126-F156 HydrophobicContact CB-CD2 4.2Å; E126-F156 HydrophobicContact CB-CG 3.94Å; E126-F156 HydrophobicContact CG-CD1 3.91Å; E126-F156 HydrophobicContact CG-CD2 4.26Å; E126-F156 HydrophobicContact CG-CE1 4.09Å; E126-F156 HydrophobicContact CG-CE2 4.42Å; E126-F156 HydrophobicContact CG-CG 4.01Å; E126-F156 HydrophobicContact CG-CZ 4.34Å; E126-F156 WeakPolarHBondContact O-CB 3.46Å; E126-L159 HydrophobicContact CB-CD1 3.96Å; E126-L159 HydrophobicContact CG-CD1 3.83Å
127C97.6Very high98.4Very high2 Ų226.9 Ų26.91%0.01414%0.14CC..SBendtrans-136.5152.2170.9810000111.6N124 H125 S129 I130 N131 V195N124-C127 PolarHBondContact O-SG 3.28Å; H125-C127 PolarHBondContact O-N 2.77Å; C127-S129 PolarHBondContact O-N 2.86Å; C127-S129 PolarHBondContact SG-OG 3.21Å; C127-S129 VanDerWaalsContact SG-OG 3.36Å; C127-I130 PolarHBondContact O-N 3.46Å; C127-I130 WeakPolarHBondContact SG-CG1 3.19Å; C127-N131 PolarHBondContact O-N 3.48Å; C127-N131 VanDerWaalsContact O-N 3.11Å; C127-N131 PolarHBondContact O-ND2 3.34Å; C127-N131 PolarHBondContact O-OD1 3.38Å; C127-V195 HydrophobicContact CB-CB 4.06Å; C127-V195 HydrophobicContact CB-CG2 3.69Å
128A98.1Very high98.4Very high19 Ų1927.8 Ų27.816%0.15715%0.145CC..Hα-helixtrans-66.3-36.6-169.900000113I130 R132 W149 T153A128-I130 VanDerWaalsContact C-N 3.33Å; A128-I130 PolarHBondContact O-N 2.95Å; A128-R132 WeakPolarHBondContact O-CB 3.33Å; A128-R132 PolarHBondContact O-N 3.25Å; A128-R132 VanDerWaalsContact O-N 3.11Å; A128-W149 HydrophobicContact CB-CH2 4Å; A128-W149 HydrophobicContact CB-CZ2 3.88Å; A128-T153 HydrophobicContact CB-CG2 3.85Å
129S97.3Very high98.4Very high75 Ų7528.3 Ų28.352%0.52415%0.147SC..Hα-helixtrans-63.9-38.5-17852.30000112.2C127C127-S129 PolarHBondContact O-N 2.86Å; C127-S129 PolarHBondContact SG-OG 3.21Å; C127-S129 VanDerWaalsContact SG-OG 3.36Å
130I98.4Very high98.4Very high23 Ų2327.3 Ų27.312%0.11814%0.143CC..Hα-helixtrans-80.7-54.7-178.7-61.7-57.8000111H125 C127 A128 R132 I133 Y134 W206H125-I130 HydrophobicContact CB-CG2 4.34Å; H125-I130 WeakPolarHBondContact ND1-CG2 3.4Å; C127-I130 PolarHBondContact O-N 3.46Å; C127-I130 WeakPolarHBondContact SG-CG1 3.19Å; A128-I130 VanDerWaalsContact C-N 3.33Å; A128-I130 PolarHBondContact O-N 2.95Å; I130-R132 PolarHBondContact O-N 3.06Å; I130-R132 VanDerWaalsContact O-N 3.08Å; I130-I133 WeakPolarHBondContact O-CG1 3.36Å; I130-I133 PolarHBondContact O-N 3.16Å; I130-Y134 HydrophobicContact CD1-CE2 4.39Å; I130-Y134 HydrophobicContact CG2-CD2 3.62Å; I130-Y134 HydrophobicContact CG2-CE2 4.08Å; I130-Y134 VanDerWaalsContact O-CD2 3.31Å; I130-Y134 WeakPolarHBondContact O-CD2 3.21Å; I130-Y134 PolarHBondContact O-N 3.35Å; I130-W206 HydrophobicContact CD1-CH2 3.73Å; I130-W206 HydrophobicContact CD1-CZ2 3.62Å; I130-W206 HydrophobicContact CG1-CH2 4.26Å; I130-W206 HydrophobicContact CG1-CZ2 3.79Å
131N98.5Very high98.4Very high0 Ų032.7 Ų32.70%017%0.166CC..Hα-helixtrans-75.7-2.9-175.372.636.3000114.7V94 D95 H125 C127 I133 F136 Y137 W149V94-N131 HydrophobicContact CG2-CB 4.19Å; D95-N131 WeakPolarHBondContact OD1-CA 3.46Å; D95-N131 WeakPolarHBondContact OD2-CA 3.5Å; D95-N131 WeakPolarHBondContact OD2-CB 3.19Å; H125-N131 WeakPolarHBondContact O-CB 3.49Å; H125-N131 PolarHBondContact O-ND2 3.19Å; C127-N131 PolarHBondContact O-N 3.48Å; C127-N131 VanDerWaalsContact O-N 3.11Å; C127-N131 PolarHBondContact O-ND2 3.34Å; C127-N131 PolarHBondContact O-OD1 3.38Å; N131-I133 VanDerWaalsContact C-N 3.31Å; N131-F136 HydrophobicContact CB-CB 3.94Å; N131-F136 HydrophobicContact CB-CD1 4.39Å; N131-Y137 WeakPolarHBondContact O-CB 3.42Å; N131-Y137 PolarHBondContact O-N 3.44Å; N131-W149 PolarHBondContact OD1-NE1 3.22Å
132R98.1Very high98.4Very high103 Ų10340.5 Ų40.539%0.38920%0.196SC..THydrogen-bonded Turntrans-67.6-30.6165.2178.260.4-174.883.8-0.2113A128 I130 Y137 W149A128-R132 WeakPolarHBondContact O-CB 3.33Å; A128-R132 PolarHBondContact O-N 3.25Å; A128-R132 VanDerWaalsContact O-N 3.11Å; I130-R132 PolarHBondContact O-N 3.06Å; I130-R132 VanDerWaalsContact O-N 3.08Å; R132-Y137 VanDerWaalsContact CD-CD2 3.41Å; R132-Y137 VanDerWaalsContact CD-CG 3.47Å; R132-W149 HydrophobicContact CB-CZ2 4.19Å
133I97.4Very high98.3Very high107 Ų10742.1 Ų42.155%0.54920%0.202SC..THydrogen-bonded Turntrans-116.4-21-169.658.8169.5000113.8I130 N131I130-I133 WeakPolarHBondContact O-CG1 3.36Å; I130-I133 PolarHBondContact O-N 3.16Å; N131-I133 VanDerWaalsContact C-N 3.31Å
134Y97.4Very high98.3Very high91 Ų9144 Ų4436%0.35721%0.209SC..SBendtrans-99.56.1-176-67-66.7000115.4D95 R96 I130D95-Y134 WeakPolarHBondContact CB-O 3.37Å; D95-Y134 VanDerWaalsContact OD1-C 3.26Å; R96-Y134 PolarHBondContact N-O 3.02Å; I130-Y134 HydrophobicContact CD1-CE2 4.39Å; I130-Y134 HydrophobicContact CG2-CD2 3.62Å; I130-Y134 HydrophobicContact CG2-CE2 4.08Å; I130-Y134 VanDerWaalsContact O-CD2 3.31Å; I130-Y134 WeakPolarHBondContact O-CD2 3.21Å; I130-Y134 PolarHBondContact O-N 3.35Å
135G98.1Very high98.3Very high25 Ų2546.1 Ų46.126%0.25822%0.221SC..SBendtrans133.7-28.3159.900000116.1D95 Y137 D138 E139D95-G135 PolarHBondContact OD1-N 3.08Å; D95-G135 VanDerWaalsContact OD1-N 3.13Å; G135-Y137 PolarHBondContact O-N 3.37Å; G135-D138 PolarHBondContact O-N 3.01Å; G135-E139 PolarHBondContact O-N 2.99Å
136F98.8Very high98.3Very high0 Ų048.7 Ų48.70%023%0.234CC..Hα-helixtrans-66.7-40.4-171.8-173.9-127.1000113V94 D95 L101 I104 N131 D138 E139 C140 W149 F152 F156V94-F136 HydrophobicContact CB-CB 4.03Å; V94-F136 HydrophobicContact CB-CD1 4.28Å; V94-F136 HydrophobicContact CB-CD2 3.86Å; V94-F136 HydrophobicContact CB-CE2 4.36Å; V94-F136 HydrophobicContact CB-CG 3.8Å; V94-F136 HydrophobicContact CG1-CD1 4.29Å; V94-F136 HydrophobicContact CG1-CD2 3.81Å; V94-F136 HydrophobicContact CG1-CE1 4.28Å; V94-F136 HydrophobicContact CG1-CE2 3.79Å; V94-F136 HydrophobicContact CG1-CG 4.06Å; V94-F136 HydrophobicContact CG1-CZ 4.03Å; V94-F136 HydrophobicContact CG2-CB 4.1Å; V94-F136 HydrophobicContact CG2-CD1 4.14Å; V94-F136 HydrophobicContact CG2-CG 4.03Å; D95-F136 WeakPolarHBondContact OD1-CB 3.33Å; D95-F136 PolarHBondContact OD1-N 3.29Å; L101-F136 HydrophobicContact CD2-CE2 4.12Å; L101-F136 HydrophobicContact CG-CE2 4.16Å; I104-F136 HydrophobicContact CG2-CE2 4.29Å; I104-F136 HydrophobicContact CG2-CZ 4.22Å; N131-F136 HydrophobicContact CB-CB 3.94Å; N131-F136 HydrophobicContact CB-CD1 4.39Å; F136-D138 VanDerWaalsContact C-N 3.33Å; F136-D138 PolarHBondContact O-N 2.75Å; F136-E139 PolarHBondContact O-N 3.19Å; F136-C140 WeakPolarHBondContact O-CB 3.41Å; F136-C140 PolarHBondContact O-N 2.84Å; F136-C140 PolarHBondContact O-SG 3.21Å; F136-C140 VanDerWaalsContact O-SG 3.33Å; F136-W149 AromaticContact CD1-CD1 3.85Å; F136-F152 HydrophobicContact CE1-CB 3.71Å; F136-F152 HydrophobicContact CE1-CD1 4.38Å; F136-F152 AromaticContact CE1-CD2 3.95Å; F136-F152 HydrophobicContact CE1-CD2 3.95Å; F136-F152 AromaticContact CE1-CG 3.78Å; F136-F152 HydrophobicContact CE1-CG 3.78Å; F136-F152 HydrophobicContact CZ-CB 4.09Å; F136-F152 AromaticContact CZ-CD1 3.97Å; F136-F152 HydrophobicContact CZ-CD1 3.97Å; F136-F152 AromaticContact CZ-CD2 3.56Å; F136-F152 HydrophobicContact CZ-CD2 3.56Å; F136-F152 HydrophobicContact CZ-CE1 4.24Å; F136-F152 AromaticContact CZ-CE2 3.85Å; F136-F152 HydrophobicContact CZ-CE2 3.85Å; F136-F152 AromaticContact CZ-CG 3.62Å; F136-F152 HydrophobicContact CZ-CG 3.62Å; F136-F152 HydrophobicContact CZ-CZ 4.17Å; F136-F156 HydrophobicContact CD1-CE2 4.15Å; F136-F156 AromaticContact CE1-CE2 3.67Å; F136-F156 HydrophobicContact CE1-CE2 3.67Å; F136-F156 AromaticContact CE1-CZ 3.91Å; F136-F156 HydrophobicContact CE1-CZ 3.91Å; F136-F156 HydrophobicContact CZ-CE2 4.48Å; F136-F156 HydrophobicContact CZ-CZ 4.28Å
137Y98.8Very high98.3Very high21 Ų2155 Ų558%0.08226%0.262CS..Hα-helixtrans-57.1-47.1173171.1-86.9000111.7N131 R132 G135 E139 C140 K141 I146 W149N131-Y137 WeakPolarHBondContact O-CB 3.42Å; N131-Y137 PolarHBondContact O-N 3.44Å; R132-Y137 VanDerWaalsContact CD-CD2 3.41Å; R132-Y137 VanDerWaalsContact CD-CG 3.47Å; G135-Y137 PolarHBondContact O-N 3.37Å; Y137-E139 VanDerWaalsContact C-N 3.33Å; Y137-C140 PolarHBondContact O-N 3.3Å; Y137-K141 HydrophobicContact CE1-CB 4.48Å; Y137-K141 HydrophobicContact CE1-CD 3.89Å; Y137-K141 VanDerWaalsContact O-CB 3.29Å; Y137-K141 WeakPolarHBondContact O-CB 3.22Å; Y137-K141 PolarHBondContact O-N 2.94Å; Y137-I146 HydrophobicContact CE2-CG1 4.16Å; Y137-I146 HydrophobicContact CE2-CG2 4.02Å; Y137-I146 VanDerWaalsContact OH-CD1 3.26Å; Y137-I146 WeakPolarHBondContact OH-CD1 3.49Å; Y137-W149 AromaticContact CD2-CD2 3.55Å; Y137-W149 HydrophobicContact CD2-CD2 3.55Å; Y137-W149 AromaticContact CD2-CE2 3.8Å; Y137-W149 AromaticContact CD2-CE3 3.73Å; Y137-W149 HydrophobicContact CD2-CE3 3.73Å; Y137-W149 AromaticContact CD2-CG 3.91Å; Y137-W149 HydrophobicContact CD2-CG 3.91Å; Y137-W149 HydrophobicContact CD2-CH2 4.37Å; Y137-W149 HydrophobicContact CD2-CZ2 4.21Å; Y137-W149 HydrophobicContact CD2-CZ3 4.15Å; Y137-W149 HydrophobicContact CE2-CD2 4.31Å; Y137-W149 HydrophobicContact CE2-CE3 4.04Å; Y137-W149 HydrophobicContact CE2-CZ3 4.34Å
138D98.6Very high98.3Very high82 Ų8254.9 Ų54.944%0.43926%0.261SS..Hα-helixtrans-68.8-35.2-179.4-72.3-37.4000111.2G135 F136 R142G135-D138 PolarHBondContact O-N 3.01Å; F136-D138 VanDerWaalsContact C-N 3.33Å; F136-D138 PolarHBondContact O-N 2.75Å; D138-R142 WeakPolarHBondContact O-CB 3.47Å; D138-R142 PolarHBondContact O-N 2.85Å
139E98.7Very high98.4Very high11 Ų1155.3 Ų55.35%0.05126%0.259CS..Hα-helixtrans-62.2-49.1173-155.1-167.5142.800111.6S100 L101 G135 F136 Y137 R142 R143S100-E139 WeakPolarHBondContact CA-OE2 3.38Å; S100-E139 WeakPolarHBondContact CB-OE2 3.15Å; S100-E139 PolarHBondContact N-OE2 3.2Å; S100-E139 PolarHBondContact OG-OE2 2.91Å; L101-E139 WeakPolarHBondContact CB-OE1 3.32Å; L101-E139 HydrophobicContact CD1-CG 3.99Å; L101-E139 WeakPolarHBondContact CD1-OE1 3.28Å; L101-E139 PolarHBondContact N-OE1 3.26Å; G135-E139 PolarHBondContact O-N 2.99Å; F136-E139 PolarHBondContact O-N 3.19Å; Y137-E139 VanDerWaalsContact C-N 3.33Å; E139-R142 PolarHBondContact O-N 3.42Å; E139-R143 WeakPolarHBondContact O-CB 3.37Å; E139-R143 PolarHBondContact O-N 2.91Å; E139-R143 IonicContact OE1-NH1 3.29Å; E139-R143 PolarHBondContact OE1-NH1 2.77Å
140C98.7Very high98.4Very high0 Ų057.6 Ų57.60%026%0.259CS..Hα-helixtrans-59.7-48.8175.5-72.60000111.7F136 Y137 R142 Y144 N145 W149F136-C140 WeakPolarHBondContact O-CB 3.41Å; F136-C140 PolarHBondContact O-N 2.84Å; F136-C140 PolarHBondContact O-SG 3.21Å; F136-C140 VanDerWaalsContact O-SG 3.33Å; Y137-C140 PolarHBondContact O-N 3.3Å; C140-R142 VanDerWaalsContact C-N 3.32Å; C140-R142 PolarHBondContact O-N 3.12Å; C140-Y144 CarbonylContact O-C 3.51Å; C140-Y144 VanDerWaalsContact O-C 3.26Å; C140-Y144 WeakPolarHBondContact O-CA 3.22Å; C140-Y144 PolarHBondContact O-N 3.16Å; C140-N145 PolarHBondContact O-N 2.95Å; C140-W149 HydrophobicContact CB-CB 3.75Å
141K98.4Very high98.4Very high113 Ų11357.3 Ų57.349%0.49126%0.259SS..Hα-helixtrans-61.5-40.2-179.7179.8-179174.8-172.90111.9Y137 I146Y137-K141 HydrophobicContact CE1-CB 4.48Å; Y137-K141 HydrophobicContact CE1-CD 3.89Å; Y137-K141 VanDerWaalsContact O-CB 3.29Å; Y137-K141 WeakPolarHBondContact O-CB 3.22Å; Y137-K141 PolarHBondContact O-N 2.94Å; K141-I146 HydrophobicContact CB-CG1 4.34Å; K141-I146 HydrophobicContact CD-CD1 4.4Å; K141-I146 HydrophobicContact CD-CG1 4.33Å; K141-I146 HydrophobicContact CG-CG1 4.11Å
142R98.4Very high98.5Very high165 Ų16557.3 Ų57.362%0.62326%0.259SS*.Hα-helixtrans-73.9-40.2-178.2179.6178.955.974.40.2112.9D138 E139 C140D138-R142 WeakPolarHBondContact O-CB 3.47Å; D138-R142 PolarHBondContact O-N 2.85Å; E139-R142 PolarHBondContact O-N 3.42Å; C140-R142 VanDerWaalsContact C-N 3.32Å; C140-R142 PolarHBondContact O-N 3.12Å
143R98.4Very high98.5Very high34 Ų3453.2 Ų53.213%0.12825%0.245CC..Hα-helixtrans-93.1-24.5-174.5-68.2178.660-179.75.8113.8V28 L101 E102 E139V28-R143 PolarHBondContact O-NH2 3.37Å; L101-R143 HydrophobicContact CD1-CB 4.06Å; L101-R143 HydrophobicContact CD1-CG 4.44Å; E102-R143 VanDerWaalsContact CD-NH1 3.26Å; E102-R143 IonicContact OE1-CZ 2.85Å; E102-R143 VanDerWaalsContact OE1-CZ 3.32Å; E102-R143 IonicContact OE1-NH1 3.62Å; E102-R143 PolarHBondContact OE1-NH1 3.4Å; E102-R143 VanDerWaalsContact OE1-NH1 3.08Å; E102-R143 IonicContact OE1-NH2 2.96Å; E102-R143 PolarHBondContact OE1-NH2 3.26Å; E102-R143 IonicContact OE2-CZ 2.67Å; E102-R143 IonicContact OE2-NH1 3.16Å; E102-R143 PolarHBondContact OE2-NH1 3.08Å; E102-R143 IonicContact OE2-NH2 2.85Å; E139-R143 WeakPolarHBondContact O-CB 3.37Å; E139-R143 PolarHBondContact O-N 2.91Å; E139-R143 IonicContact OE1-NH1 3.29Å; E139-R143 PolarHBondContact OE1-NH1 2.77Å
144Y98.5Very high98.6Very high39 Ų3952.4 Ų52.415%0.15324%0.242CC..SBendtrans-139.2-106.8-177.3-62-83.1000109.2L30 E32 I35 L101 C140 L148L30-Y144 WeakPolarHBondContact O-CE1 3.49Å; L30-Y144 PolarHBondContact O-OH 3Å; E32-Y144 HydrophobicContact CB-CD1 4.09Å; I35-Y144 HydrophobicContact CD1-CD1 4.48Å; I35-Y144 HydrophobicContact CD1-CD2 4.29Å; I35-Y144 HydrophobicContact CD1-CE1 3.82Å; I35-Y144 HydrophobicContact CD1-CE2 3.61Å; I35-Y144 WeakPolarHBondContact CD1-OH 3.49Å; L101-Y144 HydrophobicContact CD1-CD2 3.88Å; L101-Y144 HydrophobicContact CD1-CE2 3.83Å; L101-Y144 HydrophobicContact CD2-CD2 4.46Å; L101-Y144 HydrophobicContact CD2-CE2 4.43Å; C140-Y144 CarbonylContact O-C 3.51Å; C140-Y144 VanDerWaalsContact O-C 3.26Å; C140-Y144 WeakPolarHBondContact O-CA 3.22Å; C140-Y144 PolarHBondContact O-N 3.16Å; Y144-L148 HydrophobicContact CD1-CD2 4.01Å; Y144-L148 HydrophobicContact CD2-CD2 3.67Å; Y144-L148 HydrophobicContact CE2-CD2 4.42Å; Y144-L148 HydrophobicContact CG-CD2 3.44Å; Y144-L148 VanDerWaalsContact CG-CD2 3.44Å
145N98.4Very high98.6Very high48 Ų4848.1 Ų48.126%0.25723%0.225SC..  trans-159.4172.7178.56255.4000111.3E32 C140 K147 L148E32-N145 PolarHBondContact OE1-ND2 2.79Å; E32-N145 PolarHBondContact OE2-ND2 3.18Å; C140-N145 PolarHBondContact O-N 2.95Å; N145-K147 VanDerWaalsContact C-N 3.28Å; N145-K147 PolarHBondContact O-N 3.39Å; N145-K147 WeakPolarHBondContact OD1-CA 3.45Å; N145-K147 VanDerWaalsContact OD1-CB 3.24Å; N145-K147 WeakPolarHBondContact OD1-CB 3.43Å; N145-K147 PolarHBondContact OD1-N 3.34Å; N145-L148 PolarHBondContact O-N 3.19Å; N145-L148 PolarHBondContact OD1-N 3.41Å
146I98.6Very high98.7Very high65 Ų6547 Ų4733%0.33321%0.213SC..Hα-helixtrans-67.3-28.3-179.8-63167.2000112.1Y137 K141 L148 W149 K150Y137-I146 HydrophobicContact CE2-CG1 4.16Å; Y137-I146 HydrophobicContact CE2-CG2 4.02Å; Y137-I146 VanDerWaalsContact OH-CD1 3.26Å; Y137-I146 WeakPolarHBondContact OH-CD1 3.49Å; K141-I146 HydrophobicContact CB-CG1 4.34Å; K141-I146 HydrophobicContact CD-CD1 4.4Å; K141-I146 HydrophobicContact CD-CG1 4.33Å; K141-I146 HydrophobicContact CG-CG1 4.11Å; I146-L148 VanDerWaalsContact C-N 3.3Å; I146-L148 PolarHBondContact O-N 3.16Å; I146-W149 PolarHBondContact O-N 2.8Å; I146-K150 PolarHBondContact O-N 3.46Å; I146-K150 VanDerWaalsContact O-N 3.13Å
147K98.6Very high98.7Very high131 Ų13148 Ų4857%0.5722%0.218SC*.Hα-helixtrans-67.2-34.6179.3-176.2-176.6178.8-179.60111.1N145 K150 T151N145-K147 VanDerWaalsContact C-N 3.28Å; N145-K147 PolarHBondContact O-N 3.39Å; N145-K147 WeakPolarHBondContact OD1-CA 3.45Å; N145-K147 VanDerWaalsContact OD1-CB 3.24Å; N145-K147 WeakPolarHBondContact OD1-CB 3.43Å; N145-K147 PolarHBondContact OD1-N 3.34Å; K147-K150 PolarHBondContact O-N 3.5Å; K147-T151 PolarHBondContact O-N 2.91Å; K147-T151 PolarHBondContact O-OG1 2.88Å
148L98.6Very high98.7Very high1 Ų147 Ų471%0.00522%0.215CC..Hα-helixtrans-65.3-43174.2-170.164.3000111.5E32 I35 Y144 N145 I146 K150 T151 F152E32-L148 HydrophobicContact CG-CD1 4.23Å; E32-L148 HydrophobicContact CG-CD2 4.48Å; I35-L148 HydrophobicContact CB-CD1 4.13Å; I35-L148 HydrophobicContact CB-CD2 4.4Å; I35-L148 HydrophobicContact CD1-CD2 4.08Å; I35-L148 HydrophobicContact CG2-CD1 3.85Å; I35-L148 HydrophobicContact CG2-CD2 4.12Å; I35-L148 HydrophobicContact CG2-CG 4.32Å; Y144-L148 HydrophobicContact CD1-CD2 4.01Å; Y144-L148 HydrophobicContact CD2-CD2 3.67Å; Y144-L148 HydrophobicContact CE2-CD2 4.42Å; Y144-L148 HydrophobicContact CG-CD2 3.44Å; Y144-L148 VanDerWaalsContact CG-CD2 3.44Å; N145-L148 PolarHBondContact O-N 3.19Å; N145-L148 PolarHBondContact OD1-N 3.41Å; I146-L148 VanDerWaalsContact C-N 3.3Å; I146-L148 PolarHBondContact O-N 3.16Å; L148-K150 VanDerWaalsContact C-N 3.34Å; L148-K150 PolarHBondContact O-N 3.34Å; L148-T151 WeakPolarHBondContact O-CA 3.19Å; L148-T151 VanDerWaalsContact O-CB 3.27Å; L148-T151 WeakPolarHBondContact O-CB 3.07Å; L148-T151 PolarHBondContact O-N 3.33Å; L148-F152 HydrophobicContact CD1-CE2 4.44Å; L148-F152 HydrophobicContact CD2-CE2 4.25Å; L148-F152 HydrophobicContact CG-CD2 4.21Å; L148-F152 HydrophobicContact CG-CE2 3.93Å; L148-F152 WeakPolarHBondContact O-CD2 3.39Å; L148-F152 PolarHBondContact O-N 2.84Å
149W98.9Very high98.7Very high28 Ų2843.2 Ų43.211%0.10619%0.194CC..Hα-helixtrans-57.3-45.1173.5172.577.2000112.3A128 N131 R132 F136 Y137 C140 I146 T151 F152 T153A128-W149 HydrophobicContact CB-CH2 4Å; A128-W149 HydrophobicContact CB-CZ2 3.88Å; N131-W149 PolarHBondContact OD1-NE1 3.22Å; R132-W149 HydrophobicContact CB-CZ2 4.19Å; F136-W149 AromaticContact CD1-CD1 3.85Å; Y137-W149 AromaticContact CD2-CD2 3.55Å; Y137-W149 HydrophobicContact CD2-CD2 3.55Å; Y137-W149 AromaticContact CD2-CE2 3.8Å; Y137-W149 AromaticContact CD2-CE3 3.73Å; Y137-W149 HydrophobicContact CD2-CE3 3.73Å; Y137-W149 AromaticContact CD2-CG 3.91Å; Y137-W149 HydrophobicContact CD2-CG 3.91Å; Y137-W149 HydrophobicContact CD2-CH2 4.37Å; Y137-W149 HydrophobicContact CD2-CZ2 4.21Å; Y137-W149 HydrophobicContact CD2-CZ3 4.15Å; Y137-W149 HydrophobicContact CE2-CD2 4.31Å; Y137-W149 HydrophobicContact CE2-CE3 4.04Å; Y137-W149 HydrophobicContact CE2-CZ3 4.34Å; C140-W149 HydrophobicContact CB-CB 3.75Å; I146-W149 PolarHBondContact O-N 2.8Å; W149-T151 VanDerWaalsContact C-N 3.25Å; W149-T151 PolarHBondContact O-N 3.35Å; W149-F152 WeakPolarHBondContact O-CA 3.25Å; W149-F152 WeakPolarHBondContact O-CB 3.33Å; W149-F152 PolarHBondContact O-N 2.97Å; W149-F152 VanDerWaalsContact O-N 3.08Å; W149-T153 PolarHBondContact O-N 3.17Å; W149-T153 PolarHBondContact O-OG1 3.45Å
150K98.8Very high98.7Very high122 Ų12242.8 Ų42.853%0.5319%0.193SC..Hα-helixtrans-60-36.5174.3-66.9-176.7177.4-173.30112.5I146 K147 L148 F152 T153 D154I146-K150 PolarHBondContact O-N 3.46Å; I146-K150 VanDerWaalsContact O-N 3.13Å; K147-K150 PolarHBondContact O-N 3.5Å; L148-K150 VanDerWaalsContact C-N 3.34Å; L148-K150 PolarHBondContact O-N 3.34Å; K150-F152 VanDerWaalsContact C-N 3.34Å; K150-T153 WeakPolarHBondContact O-CB 3.39Å; K150-T153 PolarHBondContact O-N 3Å; K150-D154 PolarHBondContact O-N 3.45Å
151T98.8Very high98.7Very high18 Ų1842.9 Ų42.911%0.1119%0.193CC..Hα-helixtrans-65.3-38.3175.6-53.60000111.3R36 C39 K147 L148 W149 D154 C155R36-T151 HydrophobicContact CG-CG2 4.08Å; C39-T151 HydrophobicContact CB-CG2 3.78Å; K147-T151 PolarHBondContact O-N 2.91Å; K147-T151 PolarHBondContact O-OG1 2.88Å; L148-T151 WeakPolarHBondContact O-CA 3.19Å; L148-T151 VanDerWaalsContact O-CB 3.27Å; L148-T151 WeakPolarHBondContact O-CB 3.07Å; L148-T151 PolarHBondContact O-N 3.33Å; W149-T151 VanDerWaalsContact C-N 3.25Å; W149-T151 PolarHBondContact O-N 3.35Å; T151-D154 PolarHBondContact O-N 3.29Å; T151-C155 PolarHBondContact O-N 2.89Å
152F98.9Very high98.8Very high0 Ų037.5 Ų37.50%017%0.169CC..Hα-helixtrans-64.5-43.7170.7-80.3-71.4000111.9I35 C39 L101 I104 L108 F136 L148 W149 K150 D154 C155 F156I35-F152 HydrophobicContact CG2-CE1 4.18Å; I35-F152 HydrophobicContact CG2-CE2 3.63Å; I35-F152 HydrophobicContact CG2-CZ 3.26Å; C39-F152 WeakPolarHBondContact SG-CD1 3.29Å; C39-F152 WeakPolarHBondContact SG-CE1 3.42Å; L101-F152 HydrophobicContact CD2-CE2 3.59Å; L101-F152 HydrophobicContact CD2-CZ 3.86Å; I104-F152 HydrophobicContact CG1-CD1 4.48Å; I104-F152 HydrophobicContact CG1-CE1 4.21Å; I104-F152 HydrophobicContact CG2-CD1 4.27Å; I104-F152 HydrophobicContact CG2-CE1 3.52Å; I104-F152 HydrophobicContact CG2-CZ 3.9Å; L108-F152 HydrophobicContact CD1-CE1 4.23Å; F136-F152 HydrophobicContact CE1-CB 3.71Å; F136-F152 HydrophobicContact CE1-CD1 4.38Å; F136-F152 AromaticContact CE1-CD2 3.95Å; F136-F152 HydrophobicContact CE1-CD2 3.95Å; F136-F152 AromaticContact CE1-CG 3.78Å; F136-F152 HydrophobicContact CE1-CG 3.78Å; F136-F152 HydrophobicContact CZ-CB 4.09Å; F136-F152 AromaticContact CZ-CD1 3.97Å; F136-F152 HydrophobicContact CZ-CD1 3.97Å; F136-F152 AromaticContact CZ-CD2 3.56Å; F136-F152 HydrophobicContact CZ-CD2 3.56Å; F136-F152 HydrophobicContact CZ-CE1 4.24Å; F136-F152 AromaticContact CZ-CE2 3.85Å; F136-F152 HydrophobicContact CZ-CE2 3.85Å; F136-F152 AromaticContact CZ-CG 3.62Å; F136-F152 HydrophobicContact CZ-CG 3.62Å; F136-F152 HydrophobicContact CZ-CZ 4.17Å; L148-F152 HydrophobicContact CD1-CE2 4.44Å; L148-F152 HydrophobicContact CD2-CE2 4.25Å; L148-F152 HydrophobicContact CG-CD2 4.21Å; L148-F152 HydrophobicContact CG-CE2 3.93Å; L148-F152 WeakPolarHBondContact O-CD2 3.39Å; L148-F152 PolarHBondContact O-N 2.84Å; W149-F152 WeakPolarHBondContact O-CA 3.25Å; W149-F152 WeakPolarHBondContact O-CB 3.33Å; W149-F152 PolarHBondContact O-N 2.97Å; W149-F152 VanDerWaalsContact O-N 3.08Å; K150-F152 VanDerWaalsContact C-N 3.34Å; F152-D154 VanDerWaalsContact C-N 3.31Å; F152-D154 PolarHBondContact O-N 2.58Å; F152-C155 CarbonylContact O-C 3.26Å; F152-C155 WeakPolarHBondContact O-CA 3.39Å; F152-C155 WeakPolarHBondContact O-CB 3.31Å; F152-C155 PolarHBondContact O-N 3.44Å; F152-F156 HydrophobicContact CB-CD2 4.48Å; F152-F156 HydrophobicContact CB-CE2 4.02Å; F152-F156 HydrophobicContact CB-CZ 4.14Å; F152-F156 HydrophobicContact CD1-CE1 4.32Å; F152-F156 HydrophobicContact CD1-CZ 4.07Å; F152-F156 HydrophobicContact CG-CZ 4.46Å; F152-F156 WeakPolarHBondContact O-CD2 3.47Å; F152-F156 VanDerWaalsContact O-CG 3.22Å; F152-F156 WeakPolarHBondContact O-CG 3.41Å; F152-F156 PolarHBondContact O-N 2.9Å
153T98.9Very high98.8Very high16 Ų1629.6 Ų29.610%0.09814%0.14CC..Hα-helixtrans-54.8-46.2174.4-55.40000111.7A128 W149 K150 C155 F156 N157A128-T153 HydrophobicContact CB-CG2 3.85Å; W149-T153 PolarHBondContact O-N 3.17Å; W149-T153 PolarHBondContact O-OG1 3.45Å; K150-T153 WeakPolarHBondContact O-CB 3.39Å; K150-T153 PolarHBondContact O-N 3Å; T153-C155 PolarHBondContact O-N 2.89Å; T153-F156 PolarHBondContact O-N 2.91Å; T153-N157 WeakPolarHBondContact O-CB 3.5Å; T153-N157 PolarHBondContact O-N 3.34Å; T153-N157 PolarHBondContact O-ND2 3.04Å
154D98.8Very high98.8Very high90 Ų9028.5 Ų28.548%0.48114%0.136SC..Hα-helixtrans-61.8-32.7177.7-68.6-25.3000112.7R43 K150 T151 F152R43-D154 WeakPolarHBondContact CD-O 3.39Å; R43-D154 PolarHBondContact NE-O 3.41Å; K150-D154 PolarHBondContact O-N 3.45Å; T151-D154 PolarHBondContact O-N 3.29Å; F152-D154 VanDerWaalsContact C-N 3.31Å; F152-D154 PolarHBondContact O-N 2.58Å
155C98.9Very high98.8Very high1 Ų126.7 Ų26.71%0.00713%0.129CC..Hα-helixtrans-73.4-47.1174-177.90000111.8C39 S42 R43 T151 F152 T153 N157 C158C39-C155 HydrophobicContact CB-CB 4.04Å; S42-C155 PolarHBondContact OG-SG 2.8Å; R43-C155 HydrophobicContact CB-CB 4.49Å; T151-C155 PolarHBondContact O-N 2.89Å; F152-C155 CarbonylContact O-C 3.26Å; F152-C155 WeakPolarHBondContact O-CA 3.39Å; F152-C155 WeakPolarHBondContact O-CB 3.31Å; F152-C155 PolarHBondContact O-N 3.44Å; T153-C155 PolarHBondContact O-N 2.89Å; C155-N157 VanDerWaalsContact C-N 3.3Å; C155-N157 PolarHBondContact O-N 3.46Å; C155-C158 WeakPolarHBondContact O-CB 3.46Å; C155-C158 PolarHBondContact O-N 3.42Å
156F98.9Very high98.8Very high1 Ų126.9 Ų26.90%0.00413%0.13CC..Hα-helixtrans-62.1-36.6-179.8-66.1-21.3000112.7V94 I104 R122 E126 F136 F152 T153 C158 L159V94-F156 HydrophobicContact CG1-CZ 4.08Å; V94-F156 HydrophobicContact CG2-CE2 4.45Å; I104-F156 HydrophobicContact CD1-CE1 3.86Å; I104-F156 HydrophobicContact CD1-CZ 4.44Å; I104-F156 HydrophobicContact CG1-CE1 3.76Å; I104-F156 HydrophobicContact CG1-CZ 4.02Å; R122-F156 PolarHBondContact NE-O 3.39Å; E126-F156 HydrophobicContact CB-CB 4.02Å; E126-F156 HydrophobicContact CB-CD1 4.29Å; E126-F156 HydrophobicContact CB-CD2 4.2Å; E126-F156 HydrophobicContact CB-CG 3.94Å; E126-F156 HydrophobicContact CG-CD1 3.91Å; E126-F156 HydrophobicContact CG-CD2 4.26Å; E126-F156 HydrophobicContact CG-CE1 4.09Å; E126-F156 HydrophobicContact CG-CE2 4.42Å; E126-F156 HydrophobicContact CG-CG 4.01Å; E126-F156 HydrophobicContact CG-CZ 4.34Å; E126-F156 WeakPolarHBondContact O-CB 3.46Å; F136-F156 HydrophobicContact CD1-CE2 4.15Å; F136-F156 AromaticContact CE1-CE2 3.67Å; F136-F156 HydrophobicContact CE1-CE2 3.67Å; F136-F156 AromaticContact CE1-CZ 3.91Å; F136-F156 HydrophobicContact CE1-CZ 3.91Å; F136-F156 HydrophobicContact CZ-CE2 4.48Å; F136-F156 HydrophobicContact CZ-CZ 4.28Å; F152-F156 HydrophobicContact CB-CD2 4.48Å; F152-F156 HydrophobicContact CB-CE2 4.02Å; F152-F156 HydrophobicContact CB-CZ 4.14Å; F152-F156 HydrophobicContact CD1-CE1 4.32Å; F152-F156 HydrophobicContact CD1-CZ 4.07Å; F152-F156 HydrophobicContact CG-CZ 4.46Å; F152-F156 WeakPolarHBondContact O-CD2 3.47Å; F152-F156 VanDerWaalsContact O-CG 3.22Å; F152-F156 WeakPolarHBondContact O-CG 3.41Å; F152-F156 PolarHBondContact O-N 2.9Å; T153-F156 PolarHBondContact O-N 2.91Å; F156-C158 PolarHBondContact O-N 2.57Å; F156-L159 HydrophobicContact CB-CD1 4.39Å; F156-L159 HydrophobicContact CD1-CD1 4.01Å; F156-L159 PolarHBondContact O-N 2.88Å
157N98.9Very high98.8Very high22 Ų2231.1 Ų31.112%0.11815%0.149CC..THydrogen-bonded Turntrans-61-12.1174.2-73.4-12000113.7R122 T153 C155 P192 T193R122-N157 PolarHBondContact NH2-OD1 2.94Å; T153-N157 WeakPolarHBondContact O-CB 3.5Å; T153-N157 PolarHBondContact O-N 3.34Å; T153-N157 PolarHBondContact O-ND2 3.04Å; C155-N157 VanDerWaalsContact C-N 3.3Å; C155-N157 PolarHBondContact O-N 3.46Å; N157-P192 HydrophobicContact CB-CB 3.83Å; N157-P192 VanDerWaalsContact O-CA 3.25Å; N157-P192 WeakPolarHBondContact O-CA 3.41Å; N157-T193 WeakPolarHBondContact CA-O 3.49Å; N157-T193 WeakPolarHBondContact CB-O 3.32Å; N157-T193 VanDerWaalsContact CG-O 3.31Å; N157-T193 PolarHBondContact O-N 3.28Å; N157-T193 PolarHBondContact OD1-O 3.21Å; N157-T193 VanDerWaalsContact OD1-O 3.13Å
158C98.9Very high98.8Very high0 Ų027.1 Ų27.10%013%0.131CC..THydrogen-bonded Turntrans-105-2.7177.6-64.60000114.1R43 F46 L47 C155 F156 R191R43-C158 HydrophobicContact CG-CB 3.91Å; R43-C158 VanDerWaalsContact CG-SG 3.56Å; R43-C158 PolarHBondContact NE-SG 2.88Å; R43-C158 VanDerWaalsContact NE-SG 3.44Å; F46-C158 HydrophobicContact CB-CB 4.26Å; F46-C158 VanDerWaalsContact CB-O 3.23Å; F46-C158 WeakPolarHBondContact CB-O 3.48Å; L47-C158 HydrophobicContact CD2-CB 4.08Å; L47-C158 HydrophobicContact CG-CB 4.05Å; C155-C158 WeakPolarHBondContact O-CB 3.46Å; C155-C158 PolarHBondContact O-N 3.42Å; F156-C158 PolarHBondContact O-N 2.57Å; C158-R191 VanDerWaalsContact O-CD 3.3Å; C158-R191 WeakPolarHBondContact O-CD 3.43Å; C158-R191 PolarHBondContact O-NH1 3.03Å
159L98.9Very high98.9Very high2 Ų227.3 Ų27.31%0.0113%0.132CC..SBendtrans-61.4144.7178.7-75.8165000111.7F46 Y93 L120 R122 E126 F156 R191F46-L159 HydrophobicContact CD1-CD2 4.18Å; F46-L159 HydrophobicContact CD2-CD2 4.1Å; F46-L159 HydrophobicContact CE1-CD2 3.68Å; F46-L159 HydrophobicContact CE2-CD2 3.61Å; F46-L159 HydrophobicContact CE2-CG 4.37Å; F46-L159 HydrophobicContact CG-CD2 4.39Å; F46-L159 HydrophobicContact CZ-CD2 3.39Å; Y93-L159 HydrophobicContact CE2-CD1 4.27Å; L120-L159 HydrophobicContact CB-CD2 4.04Å; R122-L159 HydrophobicContact CB-CB 3.72Å; R122-L159 HydrophobicContact CB-CD1 4.3Å; R122-L159 HydrophobicContact CG-CB 4.01Å; R122-L159 HydrophobicContact CG-CD1 4.09Å; E126-L159 HydrophobicContact CB-CD1 3.96Å; E126-L159 HydrophobicContact CG-CD1 3.83Å; F156-L159 HydrophobicContact CB-CD1 4.39Å; F156-L159 HydrophobicContact CD1-CD1 4.01Å; F156-L159 PolarHBondContact O-N 2.88Å; L159-R191 WeakPolarHBondContact O-CD 3.38Å
160P98.9Very high98.9Very high3 Ų326 Ų262%0.01913%0.127CC..  trans-65.1155.1167.429.1-32.9000110.8I51 L53 L120 L121 R122I51-P160 CarbonylContact O-C 3.46Å; I51-P160 WeakPolarHBondContact O-CA 3.27Å; I51-P160 VanDerWaalsContact O-CB 3.26Å; I51-P160 WeakPolarHBondContact O-CB 3.33Å; L53-P160 HydrophobicContact CD1-CB 4.17Å; L53-P160 HydrophobicContact CD1-CG 3.84Å; L53-P160 HydrophobicContact CD2-CB 4.23Å; L53-P160 HydrophobicContact CD2-CG 4.36Å; L53-P160 HydrophobicContact CG-CB 3.92Å; L53-P160 HydrophobicContact CG-CG 4.12Å; L120-P160 VanDerWaalsContact O-CD 3.27Å; L120-P160 WeakPolarHBondContact O-CD 3.3Å; L120-P160 WeakPolarHBondContact O-CG 3.38Å; L121-P160 CarbonylContact C-O 3.58Å; L121-P160 WeakPolarHBondContact CA-O 3.31Å; L121-P160 HydrophobicContact CD2-CB 4.27Å; L121-P160 HydrophobicContact CD2-CG 4.11Å; R122-P160 PolarHBondContact N-O 2.85Å
161I98.9Very high98.9Very high1 Ų120.1 Ų20.11%0.00510%0.102CC..  trans-104.8-31.1-168.7-59.7-54.9000112I51 R122 L201 L204 L205I51-I161 HydrophobicContact CD1-CG1 3.65Å; I51-I161 HydrophobicContact CG1-CB 4.25Å; I51-I161 HydrophobicContact CG1-CG1 3.74Å; I51-I161 PolarHBondContact O-N 2.98Å; R122-I161 HydrophobicContact CB-CD1 3.7Å; R122-I161 HydrophobicContact CG-CD1 4.32Å; I161-L201 HydrophobicContact CB-CD1 4.37Å; I161-L201 HydrophobicContact CD1-CD1 3.5Å; I161-L201 VanDerWaalsContact CD1-CD1 3.5Å; I161-L201 HydrophobicContact CG1-CD1 3.66Å; I161-L201 HydrophobicContact CG2-CD1 3.77Å; I161-L204 HydrophobicContact CG2-CB 3.94Å; I161-L204 HydrophobicContact CG2-CD1 3.7Å; I161-L204 HydrophobicContact CG2-CG 4.44Å; I161-L205 HydrophobicContact CD1-CD1 4.38Å; I161-L205 HydrophobicContact CG2-CD1 3.82Å
162A98.9Very high98.9Very high0 Ų019.3 Ų19.30%010%0.097CC..EExtended strand (participates in β ladder)trans-146.7164.1179.700000110.6L52 L53 F170 C171 C172 I186L52-A162 WeakPolarHBondContact CA-O 3.22Å; L52-A162 HydrophobicContact CD1-CB 3.67Å; L53-A162 PolarHBondContact N-O 3.16Å; A162-F170 HydrophobicContact CB-CE2 3.9Å; A162-F170 HydrophobicContact CB-CZ 3.98Å; A162-C171 CarbonylContact C-O 3.57Å; A162-C171 WeakPolarHBondContact CA-O 3.44Å; A162-C171 VanDerWaalsContact CB-O 3.31Å; A162-C171 WeakPolarHBondContact CB-O 3.43Å; A162-C172 HydrophobicContact CB-CB 4.42Å; A162-I186 HydrophobicContact CB-CD1 4.31Å
163A98.9Very high98.9Very high0 Ų019.3 Ų19.30%010%0.097CC..EExtended strand (participates in β ladder)trans-134.3154169.500000110.3L53 L55 L88 L121 C171L53-A163 HydrophobicContact CB-CB 3.84Å; L53-A163 HydrophobicContact CD1-CB 4.49Å; L53-A163 CarbonylContact O-C 3.48Å; L53-A163 VanDerWaalsContact O-CA 3.22Å; L53-A163 WeakPolarHBondContact O-CA 3.31Å; L55-A163 HydrophobicContact CD1-CB 3.87Å; L55-A163 HydrophobicContact CG-CB 4.34Å; L88-A163 HydrophobicContact CD1-CB 4.26Å; L88-A163 HydrophobicContact CD2-CB 3.96Å; L121-A163 HydrophobicContact CD1-CB 4.47Å; L121-A163 HydrophobicContact CD2-CB 4.27Å; A163-C171 HydrophobicContact CB-CB 4.19Å; A163-C171 PolarHBondContact N-O 3.31Å; A163-C171 PolarHBondContact O-N 2.96Å
164I98.9Very high98.9Very high11 Ų1118.5 Ų18.56%0.0569%0.092CC..EExtended strand (participates in β ladder)trans-119.6126.2165.7-63.8169.2000106.9L52 L53 L55 I169 F170 M183 L241L52-I164 HydrophobicContact CD1-CD1 4.28Å; L52-I164 HydrophobicContact CD1-CG1 4.18Å; L52-I164 HydrophobicContact CD2-CD1 4.21Å; L53-I164 PolarHBondContact O-N 3.36Å; L55-I164 PolarHBondContact N-O 3.05Å; I164-I169 CarbonylContact C-O 3.58Å; I164-I169 VanDerWaalsContact CA-O 3.31Å; I164-I169 WeakPolarHBondContact CA-O 3.49Å; I164-F170 HydrophobicContact CG1-CD2 4.04Å; I164-M183 HydrophobicContact CD1-CE 4.17Å; I164-M183 HydrophobicContact CD1-CG 4.24Å; I164-M183 HydrophobicContact CD1-SD 4.26Å; I164-L241 HydrophobicContact CG2-CD2 4.22Å
165V98.9Very high98.9Very high0 Ų014.2 Ų14.20%07%0.069CC..EExtended strand (participates in β ladder)trans-99.8123.4176.1-1760000109.1L55 A57 L59 I61 E167 K168 I169L55-V165 HydrophobicContact CB-CG2 4.38Å; L55-V165 CarbonylContact O-C 3.54Å; L55-V165 WeakPolarHBondContact O-CA 3.24Å; A57-V165 HydrophobicContact CB-CG1 4.49Å; L59-V165 HydrophobicContact CD1-CG2 4.05Å; L59-V165 HydrophobicContact CD2-CB 4.46Å; L59-V165 HydrophobicContact CD2-CG1 3.5Å; L59-V165 HydrophobicContact CD2-CG2 4.12Å; I61-V165 HydrophobicContact CD1-CG2 4.38Å; V165-E167 PolarHBondContact O-N 2.98Å; V165-E167 VanDerWaalsContact O-N 3.08Å; V165-K168 PolarHBondContact O-N 3.37Å; V165-I169 HydrophobicContact CB-CB 4.11Å; V165-I169 PolarHBondContact N-O 3.36Å; V165-I169 PolarHBondContact O-N 3.48Å
166D98.6Very high98.9Very high52 Ų5214.3 Ų14.328%0.2787%0.069SC..THydrogen-bonded Turntrans4341.9-179.6-62.9-57.4000113.2L55 E56 A57 K168 L289L55-D166 PolarHBondContact O-N 2.63Å; E56-D166 WeakPolarHBondContact CA-OD1 3.26Å; A57-D166 WeakPolarHBondContact CB-OD2 3.4Å; A57-D166 PolarHBondContact N-OD2 3.01Å; D166-K168 WeakPolarHBondContact O-CG 3.39Å; D166-K168 PolarHBondContact O-N 3.06Å; D166-L289 HydrophobicContact CB-CD1 4.1Å; D166-L289 HydrophobicContact CB-CD2 3.88Å; D166-L289 HydrophobicContact CB-CG 4.37Å; D166-L289 WeakPolarHBondContact OD2-CD2 3.32Å
167E98.6Very high98.9Very high155 Ų15514.5 Ų14.572%0.7247%0.071SC*.THydrogen-bonded Turntrans58.910.8-179.7-53-179.116900114.9V165 L241V165-E167 PolarHBondContact O-N 2.98Å; V165-E167 VanDerWaalsContact O-N 3.08Å; E167-L241 WeakPolarHBondContact O-CD2 3.41Å
168K98.8Very high98.8Very high46 Ų4615.1 Ų15.120%0.28%0.076CC..THydrogen-bonded Turntrans-125.6-27.5-171.8-67.2-58.4173.2-171.40115.5V165 D166 D240 D242 L243 L289V165-K168 PolarHBondContact O-N 3.37Å; D166-K168 WeakPolarHBondContact O-CG 3.39Å; D166-K168 PolarHBondContact O-N 3.06Å; K168-D240 VanDerWaalsContact NZ-CG 3.32Å; K168-D240 PolarHBondContact NZ-O 3.3Å; K168-D240 IonicContact NZ-OD1 3.59Å; K168-D240 IonicContact NZ-OD2 2.84Å; K168-D240 PolarHBondContact NZ-OD2 3.44Å; K168-D242 HydrophobicContact CB-CB 4.43Å; K168-D242 WeakPolarHBondContact CD-OD2 3.35Å; K168-D242 PolarHBondContact O-N 3.41Å; K168-L243 PolarHBondContact O-N 3.42Å; K168-L289 HydrophobicContact CB-CD1 3.83Å; K168-L289 HydrophobicContact CG-CD1 3.86Å
169I98.9Very high98.8Very high5 Ų519 Ų193%0.02610%0.097CC..EExtended strand (participates in β ladder)trans-114.8108.8-179.2-46.5176.5000110.3I164 V165 L243 C245 V285 L289I164-I169 CarbonylContact C-O 3.58Å; I164-I169 VanDerWaalsContact CA-O 3.31Å; I164-I169 WeakPolarHBondContact CA-O 3.49Å; V165-I169 HydrophobicContact CB-CB 4.11Å; V165-I169 PolarHBondContact N-O 3.36Å; V165-I169 PolarHBondContact O-N 3.48Å; I169-L243 CarbonylContact C-O 3.14Å; I169-L243 WeakPolarHBondContact CA-O 3.25Å; I169-L243 HydrophobicContact CD1-CD2 4.39Å; I169-L243 HydrophobicContact CG1-CB 4.31Å; I169-L243 HydrophobicContact CG1-CD2 4.47Å; I169-L243 HydrophobicContact CG2-CB 4.12Å; I169-L243 HydrophobicContact CG2-CD2 3.98Å; I169-L243 HydrophobicContact CG2-CG 4.08Å; I169-C245 HydrophobicContact CG2-CB 3.84Å; I169-V285 HydrophobicContact CD1-CG1 3.95Å; I169-V285 HydrophobicContact CD1-CG2 4.02Å; I169-L289 HydrophobicContact CD1-CD2 4.35Å
170F98.9Very high98.8Very high0 Ų019.2 Ų19.20%010%0.098CC..EExtended strand (participates in β ladder)trans-82.3125172.7178.1-97.3000110.6A162 I164 C172 L176 L180 M183 I186 L204 F235 L241 L243 I244 C245A162-F170 HydrophobicContact CB-CE2 3.9Å; A162-F170 HydrophobicContact CB-CZ 3.98Å; I164-F170 HydrophobicContact CG1-CD2 4.04Å; F170-C172 HydrophobicContact CE1-CB 4.01Å; F170-C172 HydrophobicContact CZ-CB 4.33Å; F170-L176 HydrophobicContact CE1-CD2 4.37Å; F170-L180 HydrophobicContact CZ-CD2 4.27Å; F170-M183 HydrophobicContact CD2-CE 3.8Å; F170-M183 HydrophobicContact CD2-SD 4.24Å; F170-M183 HydrophobicContact CE2-CE 4.08Å; F170-M183 HydrophobicContact CE2-SD 3.98Å; F170-I186 HydrophobicContact CE2-CD1 3.89Å; F170-I186 HydrophobicContact CZ-CD1 4.02Å; F170-L204 HydrophobicContact CE1-CD2 4.41Å; F170-L204 HydrophobicContact CZ-CD2 3.94Å; F170-F235 HydrophobicContact CB-CE1 4.23Å; F170-F235 HydrophobicContact CD1-CE1 4.09Å; F170-F235 HydrophobicContact CD1-CZ 4.15Å; F170-F235 HydrophobicContact CD2-CZ 4.31Å; F170-F235 HydrophobicContact CE1-CZ 4.36Å; F170-F235 HydrophobicContact CG-CE1 4.09Å; F170-F235 HydrophobicContact CG-CZ 4.13Å; F170-L241 HydrophobicContact CB-CD1 3.73Å; F170-L241 HydrophobicContact CB-CD2 4.49Å; F170-L243 PolarHBondContact N-O 2.94Å; F170-I244 HydrophobicContact CD1-CG2 4.43Å; F170-I244 CarbonylContact O-C 3.19Å; F170-I244 WeakPolarHBondContact O-CA 3.49Å; F170-C245 PolarHBondContact O-N 3.19Å
171C98.9Very high98.8Very high0 Ų024.1 Ų24.10%012%0.12CC..EExtended strand (participates in β ladder)trans-118.6128-176.2-57.20000111.1L88 L90 L121 A162 A163 C245L88-C171 HydrophobicContact CD2-CB 3.87Å; L90-C171 HydrophobicContact CD2-CB 3.9Å; L121-C171 HydrophobicContact CD1-CB 4.27Å; A162-C171 CarbonylContact C-O 3.57Å; A162-C171 WeakPolarHBondContact CA-O 3.44Å; A162-C171 VanDerWaalsContact CB-O 3.31Å; A162-C171 WeakPolarHBondContact CB-O 3.43Å; A163-C171 HydrophobicContact CB-CB 4.19Å; A163-C171 PolarHBondContact N-O 3.31Å; A163-C171 PolarHBondContact O-N 2.96Å; C171-C245 VanDerWaalsContact CA-O 3.25Å; C171-C245 WeakPolarHBondContact CA-O 3.48Å
172C98.9Very high98.7Very high0 Ų026.4 Ų26.40%014%0.137CC..EExtended strand (participates in β ladder)trans-148.1174.3170.263.80000109.7A162 F170 G175 L204 C245 R246A162-C172 HydrophobicContact CB-CB 4.42Å; F170-C172 HydrophobicContact CE1-CB 4.01Å; F170-C172 HydrophobicContact CZ-CB 4.33Å; C172-G175 PolarHBondContact SG-O 2.97Å; C172-G175 VanDerWaalsContact SG-O 3.4Å; C172-L204 HydrophobicContact CB-CD2 4.44Å; C172-C245 PolarHBondContact N-O 3.35Å; C172-R246 VanDerWaalsContact O-CA 3.28Å; C172-R246 WeakPolarHBondContact O-CA 3.5Å
173H98.9Very high98.7Very high0 Ų027.2 Ų27.20%014%0.141CC..SBendtrans-76.4-60.9177.8-177.167000111.9D64 L90 D92 R122 G123 N124 L205 R246 A247 H248D64-H173 IonicContact OD1-CE1 3.67Å; D64-H173 PolarHBondContact OD1-CE1 3.27Å; D64-H173 IonicContact OD1-ND1 3.35Å; D64-H173 IonicContact OD2-CE1 3.81Å; L90-H173 WeakPolarHBondContact O-CA 3.4Å; L90-H173 WeakPolarHBondContact O-CB 3.29Å; L90-H173 VanDerWaalsContact O-CG 3.28Å; L90-H173 PolarHBondContact O-ND1 2.76Å; D92-H173 VanDerWaalsContact CG-NE2 3.34Å; D92-H173 IonicContact OD1-CE1 3.53Å; D92-H173 IonicContact OD1-NE2 3.46Å; D92-H173 PolarHBondContact OD1-NE2 2.81Å; D92-H173 IonicContact OD2-CE1 2.73Å; D92-H173 PolarHBondContact OD2-CE1 2.84Å; D92-H173 IonicContact OD2-NE2 3.72Å; D92-H173 PolarHBondContact OD2-NE2 2.9Å; R122-H173 WeakPolarHBondContact O-CB 3.41Å; G123-H173 VanDerWaalsContact CA-CG 3.43Å; N124-H173 PolarHBondContact N-CD2 2.89Å; N124-H173 PolarHBondContact OD1-CD2 2.85Å; N124-H173 PolarHBondContact OD1-NE2 3.18Å; H173-L205 PolarHBondContact CD2-O 3.43Å; H173-R246 PolarHBondContact O-NE 3.13Å; H173-A247 PolarHBondContact O-N 2.85Å; H173-H248 AromaticContact CD2-CG 3.99Å; H173-H248 AromaticContact CD2-ND1 3.67Å; H173-H248 WeakPolarHBondContact NE2-CB 3.3Å; H173-H248 AromaticContact NE2-CG 3.57Å; H173-H248 AromaticContact NE2-ND1 3.08Å; H173-H248 PolarHBondContact NE2-ND1 2.96Å
174G98.9Very high98.7Very high0 Ų030.9 Ų30.90%016%0.158CC..SBendtrans-79.3-93.4-178.600000110.6L204 S207 R246G174-L204 WeakPolarHBondContact CA-O 3.26Å; G174-L204 PolarHBondContact N-O 3.03Å; G174-S207 CarbonylContact C-O 3.51Å; G174-R246 WeakPolarHBondContact O-CB 3.06Å; G174-R246 PolarHBondContact O-NE 3.44Å; G174-R246 PolarHBondContact O-NH2 3.44Å
175G98.7Very high98.7Very high0 Ų033.5 Ų33.50%017%0.17CC..  trans-172.5-144.8-175.200000113C172 S207C172-G175 PolarHBondContact SG-O 2.97Å; C172-G175 VanDerWaalsContact SG-O 3.4Å; G175-S207 WeakPolarHBondContact CA-OG 3.39Å; G175-S207 PolarHBondContact N-O 3.38Å; G175-S207 PolarHBondContact N-OG 3.16Å; G175-S207 VanDerWaalsContact N-OG 3.14Å
176L98.9Very high98.7Very high2 Ų233.5 Ų33.51%0.0117%0.17CC..  trans-84.3160.8-178.3-61.5-178.2000111.5F170 S207 W216 F227 V231 V232 F235 I244F170-L176 HydrophobicContact CE1-CD2 4.37Å; L176-S207 PolarHBondContact N-OG 2.87Å; L176-S207 WeakPolarHBondContact O-CB 3.46Å; L176-S207 PolarHBondContact O-OG 2.97Å; L176-W216 HydrophobicContact CB-CH2 3.74Å; L176-W216 WeakPolarHBondContact O-CH2 3.27Å; L176-W216 WeakPolarHBondContact O-CZ3 3.17Å; L176-F227 HydrophobicContact CB-CD1 4.41Å; L176-F227 HydrophobicContact CB-CE1 4.43Å; L176-F227 HydrophobicContact CB-CG 4.46Å; L176-F227 HydrophobicContact CB-CZ 4.49Å; L176-F227 HydrophobicContact CD1-CD2 4.27Å; L176-F227 HydrophobicContact CD1-CE2 4.28Å; L176-F227 HydrophobicContact CG-CD2 4.5Å; L176-F227 HydrophobicContact CG-CE2 4.22Å; L176-F227 HydrophobicContact CG-CZ 4.39Å; L176-V231 HydrophobicContact CD1-CG1 3.92Å; L176-V232 HydrophobicContact CD1-CG2 4.48Å; L176-F235 HydrophobicContact CD1-CB 3.79Å; L176-F235 HydrophobicContact CD1-CD1 4.25Å; L176-F235 HydrophobicContact CD1-CD2 4.45Å; L176-F235 HydrophobicContact CD1-CG 3.92Å; L176-F235 HydrophobicContact CD2-CD1 3.72Å; L176-F235 HydrophobicContact CD2-CD2 3.86Å; L176-F235 HydrophobicContact CD2-CE1 3.7Å; L176-F235 HydrophobicContact CD2-CE2 3.85Å; L176-F235 HydrophobicContact CD2-CG 3.78Å; L176-F235 HydrophobicContact CD2-CZ 3.74Å; L176-I244 HydrophobicContact CD1-CD1 3.74Å; L176-I244 HydrophobicContact CD2-CD1 3.83Å; L176-I244 HydrophobicContact CG-CD1 3.92Å
177S98.9Very high98.7Very high5 Ų535.8 Ų35.84%0.03517%0.174CC..  trans-121143.1172.2178.70000110.7D179 L180 D203S177-D179 PolarHBondContact O-N 3.24Å; S177-D179 WeakPolarHBondContact OG-CB 3.4Å; S177-D179 PolarHBondContact OG-N 3.08Å; S177-L180 PolarHBondContact O-N 3.44Å; S177-L180 VanDerWaalsContact O-N 3.08Å; S177-D203 VanDerWaalsContact CB-CB 3.48Å; S177-D203 WeakPolarHBondContact CB-OD2 3.26Å; S177-D203 PolarHBondContact OG-OD2 3Å
178P98.5Very high98.7Very high36 Ų3637.3 Ų37.323%0.23417%0.174CC..THydrogen-bonded Turntrans-61.2-25167.926.3-34000111.7L180 Q181 W216 F225P178-L180 VanDerWaalsContact C-N 3.33Å; P178-Q181 PolarHBondContact O-NE2 2.7Å; P178-W216 VanDerWaalsContact CA-CZ2 3.44Å; P178-W216 HydrophobicContact CB-CD2 4.07Å; P178-W216 HydrophobicContact CB-CG 4.46Å; P178-W216 HydrophobicContact CB-CZ2 3.99Å; P178-W216 HydrophobicContact CG-CD2 4.4Å; P178-W216 HydrophobicContact CG-CE3 4.5Å; P178-F225 HydrophobicContact CG-CD2 4.02Å; P178-F225 HydrophobicContact CG-CE2 3.87Å; P178-F225 HydrophobicContact CG-CZ 4.47Å
179D98.3Very high98.7Very high80 Ų8036.7 Ų36.743%0.42817%0.172SC..THydrogen-bonded Turntrans-80.6-13.3177.7-64.4-18.8000112.7S177 Q181 Q185 L200S177-D179 PolarHBondContact O-N 3.24Å; S177-D179 WeakPolarHBondContact OG-CB 3.4Å; S177-D179 PolarHBondContact OG-N 3.08Å; D179-Q181 PolarHBondContact O-N 3.06Å; D179-Q181 VanDerWaalsContact O-N 3.13Å; D179-Q185 PolarHBondContact O-NE2 2.75Å; D179-Q185 PolarHBondContact O-OE1 2.78Å; D179-L200 HydrophobicContact CB-CB 4.2Å
180L98.6Very high98.7Very high8 Ų843.9 Ų43.94%0.04221%0.207CC..  trans-81.495.9-178.7-176.257.6000111.2F170 S177 P178 I186 L200 L204 F235F170-L180 HydrophobicContact CZ-CD2 4.27Å; S177-L180 PolarHBondContact O-N 3.44Å; S177-L180 VanDerWaalsContact O-N 3.08Å; P178-L180 VanDerWaalsContact C-N 3.33Å; L180-I186 HydrophobicContact CD1-CD1 3.89Å; L180-I186 HydrophobicContact CD1-CG1 3.77Å; L180-I186 HydrophobicContact CD2-CD1 4.18Å; L180-L200 HydrophobicContact CB-CD1 3.71Å; L180-L200 HydrophobicContact CD1-CD1 4.11Å; L180-L200 HydrophobicContact CG-CD1 4.38Å; L180-L204 HydrophobicContact CD2-CD2 4.25Å; L180-F235 HydrophobicContact CD2-CE2 3.6Å; L180-F235 HydrophobicContact CD2-CZ 4.06Å; L180-F235 HydrophobicContact CG-CE2 4.07Å
181Q97.9Very high98.7Very high105 Ų10545.8 Ų45.849%0.49122%0.215SC..SBendtrans-108-25178.7-58.1-57.2-37.300113.2P178 D179 K238P178-Q181 PolarHBondContact O-NE2 2.7Å; D179-Q181 PolarHBondContact O-N 3.06Å; D179-Q181 VanDerWaalsContact O-N 3.13Å; Q181-K238 WeakPolarHBondContact O-CE 3.42Å; Q181-K238 PolarHBondContact O-NZ 3.24Å
182S98.4Very high98.7Very high50 Ų5049.2 Ų49.235%0.3524%0.237SC..  trans-147.5142.8177.21750000110.3E184 Q185S182-E184 PolarHBondContact O-N 3.29Å; S182-E184 VanDerWaalsContact O-N 3.13Å; S182-E184 PolarHBondContact OG-N 3.44Å; S182-Q185 WeakPolarHBondContact O-CB 3.43Å; S182-Q185 PolarHBondContact O-N 2.98Å
183M98.7Very high98.7Very high16 Ų1651.3 Ų51.38%0.07925%0.25CS..Hα-helixtrans-58.9-24.1174.3-62.2-54.2179.800112.7L52 I164 F170 Q185 I186 R187 F235 H239 L241L52-M183 HydrophobicContact CD2-CB 3.79Å; L52-M183 HydrophobicContact CD2-CG 4.37Å; L52-M183 HydrophobicContact CD2-SD 4.46Å; I164-M183 HydrophobicContact CD1-CE 4.17Å; I164-M183 HydrophobicContact CD1-CG 4.24Å; I164-M183 HydrophobicContact CD1-SD 4.26Å; F170-M183 HydrophobicContact CD2-CE 3.8Å; F170-M183 HydrophobicContact CD2-SD 4.24Å; F170-M183 HydrophobicContact CE2-CE 4.08Å; F170-M183 HydrophobicContact CE2-SD 3.98Å; M183-Q185 PolarHBondContact O-N 3.1Å; M183-I186 WeakPolarHBondContact O-CB 3.24Å; M183-I186 PolarHBondContact O-N 3.17Å; M183-I186 HydrophobicContact SD-CD1 4.17Å; M183-R187 PolarHBondContact O-N 3.4Å; M183-R187 VanDerWaalsContact O-N 3.1Å; M183-F235 HydrophobicContact CE-CE1 4.45Å; M183-F235 HydrophobicContact CE-CE2 4.2Å; M183-F235 HydrophobicContact CE-CZ 3.62Å; M183-H239 HydrophobicContact CE-CB 4.26Å; M183-L241 HydrophobicContact CE-CD1 3.96Å
184E98.6Very high98.6Very high78 Ų7855 Ų5536%0.36427%0.27SS..Hα-helixtrans-58.3-28.7172.1-73.3-56.3113.200113.1S182 I186 R187 R188S182-E184 PolarHBondContact O-N 3.29Å; S182-E184 VanDerWaalsContact O-N 3.13Å; S182-E184 PolarHBondContact OG-N 3.44Å; E184-I186 VanDerWaalsContact C-N 3.31Å; E184-I186 PolarHBondContact O-N 3.2Å; E184-R187 PolarHBondContact O-N 3.22Å; E184-R187 WeakPolarHBondContact OE1-CD 3.23Å; E184-R187 IonicContact OE1-CZ 2.62Å; E184-R187 IonicContact OE1-NE 2.81Å; E184-R187 IonicContact OE1-NH1 3.25Å; E184-R187 PolarHBondContact OE1-NH1 3.12Å; E184-R188 WeakPolarHBondContact O-CB 3.41Å; E184-R188 WeakPolarHBondContact O-CG 3.29Å; E184-R188 PolarHBondContact O-N 3.43Å
185Q98.8Very high98.6Very high66 Ų6655.8 Ų55.831%0.30827%0.274SS..Hα-helixtrans-66.4-37176.5-65.5172.9-92.600111.3D179 S182 M183 I189 L200D179-Q185 PolarHBondContact O-NE2 2.75Å; D179-Q185 PolarHBondContact O-OE1 2.78Å; S182-Q185 WeakPolarHBondContact O-CB 3.43Å; S182-Q185 PolarHBondContact O-N 2.98Å; M183-Q185 PolarHBondContact O-N 3.1Å; Q185-I189 WeakPolarHBondContact O-CG1 3.46Å; Q185-L200 HydrophobicContact CB-CD2 3.65Å
186I98.8Very high98.6Very high0 Ų058.3 Ų58.30%029%0.291CS..Hα-helixtrans-68.3-47.3173.4-52.4-179.5000109.5I51 L52 A162 F170 L180 M183 E184 R188 I189 L204I51-I186 WeakPolarHBondContact CG2-O 3.38Å; L52-I186 HydrophobicContact CB-CG2 4.02Å; A162-I186 HydrophobicContact CB-CD1 4.31Å; F170-I186 HydrophobicContact CE2-CD1 3.89Å; F170-I186 HydrophobicContact CZ-CD1 4.02Å; L180-I186 HydrophobicContact CD1-CD1 3.89Å; L180-I186 HydrophobicContact CD1-CG1 3.77Å; L180-I186 HydrophobicContact CD2-CD1 4.18Å; M183-I186 WeakPolarHBondContact O-CB 3.24Å; M183-I186 PolarHBondContact O-N 3.17Å; M183-I186 HydrophobicContact SD-CD1 4.17Å; E184-I186 VanDerWaalsContact C-N 3.31Å; E184-I186 PolarHBondContact O-N 3.2Å; I186-R188 PolarHBondContact O-N 3.26Å; I186-I189 WeakPolarHBondContact O-CB 3.39Å; I186-I189 PolarHBondContact O-N 3.21Å; I186-I189 VanDerWaalsContact O-N 3.1Å; I186-L204 HydrophobicContact CD1-CD1 4.09Å; I186-L204 HydrophobicContact CD1-CD2 4.34Å; I186-L204 HydrophobicContact CG1-CD1 4.05Å
187R98.8Very high98.4Very high99 Ų9964.6 Ų64.637%0.37432%0.324SS..Hα-helixtrans-59.5-29.1-178.7-64.6-170.7-172.798.25113.7L52 E54 M183 E184L52-R187 HydrophobicContact CB-CG 4.01Å; L52-R187 HydrophobicContact CD2-CG 3.98Å; E54-R187 IonicContact OE1-CZ 3.45Å; E54-R187 IonicContact OE1-NE 3.69Å; E54-R187 IonicContact OE1-NH2 3.57Å; E54-R187 PolarHBondContact OE1-NH2 3.45Å; M183-R187 PolarHBondContact O-N 3.4Å; M183-R187 VanDerWaalsContact O-N 3.1Å; E184-R187 PolarHBondContact O-N 3.22Å; E184-R187 WeakPolarHBondContact OE1-CD 3.23Å; E184-R187 IonicContact OE1-CZ 2.62Å; E184-R187 IonicContact OE1-NE 2.81Å; E184-R187 IonicContact OE1-NH1 3.25Å; E184-R187 PolarHBondContact OE1-NH1 3.12Å
188R98.6Very high98.4Very high188 Ų18871.4 Ų71.471%0.70936%0.356SS*.THydrogen-bonded Turntrans-83.1-7.8179.8-72173.2-171.4-164.82.2114.7E184 I186 M190E184-R188 WeakPolarHBondContact O-CB 3.41Å; E184-R188 WeakPolarHBondContact O-CG 3.29Å; E184-R188 PolarHBondContact O-N 3.43Å; I186-R188 PolarHBondContact O-N 3.26Å; R188-M190 PolarHBondContact O-N 3.34Å
189I98.8Very high98.4Very high33 Ų3370.6 Ų70.617%0.16935%0.354CS..  trans-67.2117.9175.1-63.4170.8000108.3I51 Q185 I186 T193 L200 L201I51-I189 HydrophobicContact CD1-CB 3.73Å; I51-I189 HydrophobicContact CD1-CG2 3.63Å; I51-I189 WeakPolarHBondContact CD1-O 3.34Å; Q185-I189 WeakPolarHBondContact O-CG1 3.46Å; I186-I189 WeakPolarHBondContact O-CB 3.39Å; I186-I189 PolarHBondContact O-N 3.21Å; I186-I189 VanDerWaalsContact O-N 3.1Å; I189-T193 HydrophobicContact CG2-CG2 4.09Å; I189-L200 HydrophobicContact CD1-CD2 4.3Å; I189-L201 HydrophobicContact CD1-CB 4.37Å; I189-L201 HydrophobicContact CG2-CD2 4.48Å
190M98.7Very high98.4Very high155 Ų15567.9 Ų67.976%0.76434%0.34SS*.  trans-80.2140.2-179.1-65.1-61.2-66.400110.9R188 T193R188-M190 PolarHBondContact O-N 3.34Å; M190-T193 WeakPolarHBondContact O-CB 3.21Å; M190-T193 WeakPolarHBondContact O-CG2 3.5Å
191R98.8Very high98.4Very high40 Ų4068.1 Ų68.115%0.15134%0.341CS..SBendtrans-114.8148.2173.8-68.7175.4-65.1160.84.3110.4F46 L47 Q49 I51 C158 L159F46-R191 VanDerWaalsContact O-CZ 3.27Å; F46-R191 PolarHBondContact O-NH1 3.42Å; F46-R191 PolarHBondContact O-NH2 2.73Å; F46-R191 VanDerWaalsContact O-NH2 3.08Å; L47-R191 HydrophobicContact CD2-CB 3.73Å; Q49-R191 PolarHBondContact O-NH2 3.06Å; I51-R191 HydrophobicContact CD1-CG 3.75Å; I51-R191 HydrophobicContact CG1-CG 4.37Å; C158-R191 VanDerWaalsContact O-CD 3.3Å; C158-R191 WeakPolarHBondContact O-CD 3.43Å; C158-R191 PolarHBondContact O-NH1 3.03Å; L159-R191 WeakPolarHBondContact O-CD 3.38Å
192P98.8Very high98.4Very high73 Ų7363.1 Ų63.147%0.47432%0.317SS..SBendcis-71142.6-1.528.8-34.3000113.1N157N157-P192 HydrophobicContact CB-CB 3.83Å; N157-P192 VanDerWaalsContact O-CA 3.25Å; N157-P192 WeakPolarHBondContact O-CA 3.41Å
193T98.6Very high98.5Very high44 Ų4460.8 Ų60.827%0.2730%0.301SS..  trans-139.7147.1173.3-1750000110.7R122 N157 I189 M190 L201R122-T193 PolarHBondContact NH1-O 3.36Å; N157-T193 WeakPolarHBondContact CA-O 3.49Å; N157-T193 WeakPolarHBondContact CB-O 3.32Å; N157-T193 VanDerWaalsContact CG-O 3.31Å; N157-T193 PolarHBondContact O-N 3.28Å; N157-T193 PolarHBondContact OD1-O 3.21Å; N157-T193 VanDerWaalsContact OD1-O 3.13Å; I189-T193 HydrophobicContact CG2-CG2 4.09Å; M190-T193 WeakPolarHBondContact O-CB 3.21Å; M190-T193 WeakPolarHBondContact O-CG2 3.5Å; T193-L201 HydrophobicContact CG2-CD2 3.75Å
194D98.4Very high98.5Very high78 Ų7860 Ų6042%0.41730%0.297SS..PPolyproline II helixtrans-77.4168.2164.4-154.71.3000110.2
195V98.4Very high98.5Very high15 Ų1556.3 Ų56.39%0.09128%0.28CS..PPolyproline II helixtrans-86.5118.9173.8-176.80000108.4C127 L205C127-V195 HydrophobicContact CB-CB 4.06Å; C127-V195 HydrophobicContact CB-CG2 3.69Å; V195-L205 HydrophobicContact CG1-CD2 4.19Å; V195-L205 HydrophobicContact CG2-CD2 3.67Å
196P98.1Very high98.5Very high54 Ų5454.9 Ų54.935%0.35127%0.272SS..PPolyproline II helixtrans-67.9164.9176.230.6-35.3000111.1Q198 L201 C202P196-Q198 VanDerWaalsContact C-N 3.31Å; P196-Q198 WeakPolarHBondContact CG-O 3.44Å; P196-L201 HydrophobicContact CG-CB 4.11Å; P196-C202 HydrophobicContact CG-CB 4.37Å; P196-C202 WeakPolarHBondContact O-CB 3.41Å
197D95.9Very high98.5Very high133 Ų13354.9 Ų54.971%0.71127%0.272SS*.SBendtrans-73.4-21.5175.255.7-7.3000113.3C202D197-C202 PolarHBondContact O-SG 2.73Å
198Q97.6Very high98.5Very high148 Ų14850.3 Ų50.369%0.69226%0.255SS*.SBendtrans-148.9169.4178.664-176.5-8.400112.9P196P196-Q198 VanDerWaalsContact C-N 3.31Å; P196-Q198 WeakPolarHBondContact CG-O 3.44Å
199G98.3Very high98.5Very high20 Ų2042.1 Ų42.121%0.20623%0.226CC..SBendtrans87.3-177.9175.700000113.8L201 C202 D203G199-L201 PolarHBondContact O-N 3.31Å; G199-C202 WeakPolarHBondContact O-CA 3.08Å; G199-C202 VanDerWaalsContact O-CB 3.27Å; G199-C202 WeakPolarHBondContact O-CB 3.48Å; G199-C202 PolarHBondContact O-N 2.92Å; G199-D203 PolarHBondContact O-N 2.71Å
200L98.8Very high98.5Very high23 Ų2343 Ų4312%0.1223%0.231CC..Hα-helixtrans-41-52-169.5179.660000116.1D179 L180 Q185 I189 D203 L204D179-L200 HydrophobicContact CB-CB 4.2Å; L180-L200 HydrophobicContact CB-CD1 3.71Å; L180-L200 HydrophobicContact CD1-CD1 4.11Å; L180-L200 HydrophobicContact CG-CD1 4.38Å; Q185-L200 HydrophobicContact CB-CD2 3.65Å; I189-L200 HydrophobicContact CD1-CD2 4.3Å; L200-D203 PolarHBondContact O-N 3.08Å; L200-L204 HydrophobicContact CD1-CD1 3.88Å; L200-L204 HydrophobicContact CD1-CG 4.11Å; L200-L204 HydrophobicContact CG-CD1 4.03Å; L200-L204 VanDerWaalsContact O-CG 3.29Å; L200-L204 WeakPolarHBondContact O-CG 3.41Å; L200-L204 PolarHBondContact O-N 3.41Å
201L98.8Very high98.4Very high12 Ų1243.4 Ų43.46%0.06323%0.228CC..Hα-helixtrans-68.5-36.6-178.2178.458.4000112.3I161 I189 T193 P196 G199 L205I161-L201 HydrophobicContact CB-CD1 4.37Å; I161-L201 HydrophobicContact CD1-CD1 3.5Å; I161-L201 VanDerWaalsContact CD1-CD1 3.5Å; I161-L201 HydrophobicContact CG1-CD1 3.66Å; I161-L201 HydrophobicContact CG2-CD1 3.77Å; I189-L201 HydrophobicContact CD1-CB 4.37Å; I189-L201 HydrophobicContact CG2-CD2 4.48Å; T193-L201 HydrophobicContact CG2-CD2 3.75Å; P196-L201 HydrophobicContact CG-CB 4.11Å; G199-L201 PolarHBondContact O-N 3.31Å; L201-L205 HydrophobicContact CD1-CD1 4.12Å
202C98.8Very high98.3Very high0 Ų047.7 Ų47.70%026%0.255CS..Hα-helixtrans-61.7-50.3173.4-178.30000109.3P196 D197 G199 L204 L205 W206 V223P196-C202 HydrophobicContact CG-CB 4.37Å; P196-C202 WeakPolarHBondContact O-CB 3.41Å; D197-C202 PolarHBondContact O-SG 2.73Å; G199-C202 WeakPolarHBondContact O-CA 3.08Å; G199-C202 VanDerWaalsContact O-CB 3.27Å; G199-C202 WeakPolarHBondContact O-CB 3.48Å; G199-C202 PolarHBondContact O-N 2.92Å; C202-L204 PolarHBondContact O-N 2.87Å; C202-L205 CarbonylContact O-C 3.49Å; C202-L205 WeakPolarHBondContact O-CA 3.24Å; C202-L205 PolarHBondContact O-N 3.49Å; C202-W206 WeakPolarHBondContact O-CB 3.15Å; C202-W206 VanDerWaalsContact O-CD1 3.27Å; C202-W206 PolarHBondContact O-N 3.1Å; C202-V223 WeakPolarHBondContact SG-CG2 3.42Å
203D98.9Very high98.2Very high1 Ų145.6 Ų45.61%0.00524%0.24CC..Hα-helixtrans-64.7-38-174.3-59.1-27.5000114S177 G199 L200 L205 W206 S207 S224S177-D203 VanDerWaalsContact CB-CB 3.48Å; S177-D203 WeakPolarHBondContact CB-OD2 3.26Å; S177-D203 PolarHBondContact OG-OD2 3Å; G199-D203 PolarHBondContact O-N 2.71Å; L200-D203 PolarHBondContact O-N 3.08Å; D203-L205 PolarHBondContact O-N 3.19Å; D203-L205 VanDerWaalsContact O-N 3.16Å; D203-W206 PolarHBondContact O-N 3.35Å; D203-S207 WeakPolarHBondContact O-CB 3.47Å; D203-S207 PolarHBondContact O-N 3.08Å; D203-S207 PolarHBondContact O-OG 2.73Å; D203-S224 VanDerWaalsContact CA-OG 3.27Å; D203-S224 WeakPolarHBondContact CA-OG 3.33Å; D203-S224 WeakPolarHBondContact OD1-CB 3.19Å; D203-S224 PolarHBondContact OD1-OG 3.23Å
204L98.9Very high98Very high0 Ų051 Ų510%027%0.267CS..Hα-helixtrans-61.1-21.5174.6-73.8169000112.9I161 F170 C172 G174 L180 I186 L200 C202I161-L204 HydrophobicContact CG2-CB 3.94Å; I161-L204 HydrophobicContact CG2-CD1 3.7Å; I161-L204 HydrophobicContact CG2-CG 4.44Å; F170-L204 HydrophobicContact CE1-CD2 4.41Å; F170-L204 HydrophobicContact CZ-CD2 3.94Å; C172-L204 HydrophobicContact CB-CD2 4.44Å; G174-L204 WeakPolarHBondContact CA-O 3.26Å; G174-L204 PolarHBondContact N-O 3.03Å; L180-L204 HydrophobicContact CD2-CD2 4.25Å; I186-L204 HydrophobicContact CD1-CD1 4.09Å; I186-L204 HydrophobicContact CD1-CD2 4.34Å; I186-L204 HydrophobicContact CG1-CD1 4.05Å; L200-L204 HydrophobicContact CD1-CD1 3.88Å; L200-L204 HydrophobicContact CD1-CG 4.11Å; L200-L204 HydrophobicContact CG-CD1 4.03Å; L200-L204 VanDerWaalsContact O-CG 3.29Å; L200-L204 WeakPolarHBondContact O-CG 3.41Å; L200-L204 PolarHBondContact O-N 3.41Å; C202-L204 PolarHBondContact O-N 2.87Å
205L98.8Very high98Very high0 Ų048.2 Ų48.20%026%0.257CS..Hα-helixtrans-106.8-16.2-179.7-87.262.9000113.3R122 G123 N124 I161 H173 V195 L201 C202 D203R122-L205 HydrophobicContact CB-CD2 4.5Å; R122-L205 HydrophobicContact CG-CD2 4.15Å; G123-L205 WeakPolarHBondContact O-CD2 3.44Å; N124-L205 HydrophobicContact CB-CB 4.26Å; I161-L205 HydrophobicContact CD1-CD1 4.38Å; I161-L205 HydrophobicContact CG2-CD1 3.82Å; H173-L205 PolarHBondContact CD2-O 3.43Å; V195-L205 HydrophobicContact CG1-CD2 4.19Å; V195-L205 HydrophobicContact CG2-CD2 3.67Å; L201-L205 HydrophobicContact CD1-CD1 4.12Å; C202-L205 CarbonylContact O-C 3.49Å; C202-L205 WeakPolarHBondContact O-CA 3.24Å; C202-L205 PolarHBondContact O-N 3.49Å; D203-L205 PolarHBondContact O-N 3.19Å; D203-L205 VanDerWaalsContact O-N 3.16Å
206W98.8Very high98Very high36 Ų3651.7 Ų51.714%0.13627%0.268CS..Hα-helixtrans-128.5-19.5-169.1-76.5100.6000116.1N124 I130 C202 D203 N219 V223 H248N124-W206 HydrophobicContact CB-CD2 3.88Å; N124-W206 VanDerWaalsContact CB-CE2 3.48Å; N124-W206 HydrophobicContact CB-CE3 4.43Å; N124-W206 HydrophobicContact CB-CG 4.33Å; N124-W206 HydrophobicContact CB-CH2 4.36Å; N124-W206 HydrophobicContact CB-CZ2 3.75Å; N124-W206 WeakPolarHBondContact ND2-CH2 3.48Å; N124-W206 WeakPolarHBondContact ND2-CZ2 3.39Å; N124-W206 WeakPolarHBondContact ND2-CZ3 3.49Å; I130-W206 HydrophobicContact CD1-CH2 3.73Å; I130-W206 HydrophobicContact CD1-CZ2 3.62Å; I130-W206 HydrophobicContact CG1-CH2 4.26Å; I130-W206 HydrophobicContact CG1-CZ2 3.79Å; C202-W206 WeakPolarHBondContact O-CB 3.15Å; C202-W206 VanDerWaalsContact O-CD1 3.27Å; C202-W206 PolarHBondContact O-N 3.1Å; D203-W206 PolarHBondContact O-N 3.35Å; W206-N219 PolarHBondContact O-ND2 3.35Å; W206-V223 HydrophobicContact CB-CG1 4.33Å; W206-V223 HydrophobicContact CB-CG2 4.4Å; W206-V223 HydrophobicContact CD2-CG1 3.56Å; W206-V223 HydrophobicContact CD2-CG2 4.21Å; W206-V223 HydrophobicContact CE3-CG1 3.26Å; W206-V223 HydrophobicContact CG-CG1 4.08Å; W206-V223 HydrophobicContact CG-CG2 4.09Å; W206-V223 HydrophobicContact CH2-CG1 4.25Å; W206-V223 HydrophobicContact CZ3-CG1 3.63Å; W206-H248 AromaticContact CE3-CE1 3.89Å
207S98.9Very high98Very high0 Ų050 Ų500%026%0.261CS..  trans-71.8151.7-175.861.50000112.3G174 G175 L176 D203 F225 R246G174-S207 CarbonylContact C-O 3.51Å; G175-S207 WeakPolarHBondContact CA-OG 3.39Å; G175-S207 PolarHBondContact N-O 3.38Å; G175-S207 PolarHBondContact N-OG 3.16Å; G175-S207 VanDerWaalsContact N-OG 3.14Å; L176-S207 PolarHBondContact N-OG 2.87Å; L176-S207 WeakPolarHBondContact O-CB 3.46Å; L176-S207 PolarHBondContact O-OG 2.97Å; D203-S207 WeakPolarHBondContact O-CB 3.47Å; D203-S207 PolarHBondContact O-N 3.08Å; D203-S207 PolarHBondContact O-OG 2.73Å; S207-F225 WeakPolarHBondContact CA-O 3.44Å; S207-F225 VanDerWaalsContact CB-O 3.3Å; S207-F225 WeakPolarHBondContact CB-O 3.34Å; S207-R246 PolarHBondContact O-NH2 3.05Å
208D98.8Very high98.1Very high4 Ų452.4 Ų52.42%0.02127%0.267CS..EExtended strand (participates in β ladder)trans-127.5143.7-177.7-72.4-55.9000112.4N219 R221 F225 T226 F227 R246 H248 Q249D208-N219 PolarHBondContact OD2-ND2 3.48Å; D208-R221 IonicContact OD1-NH2 3.2Å; D208-R221 IonicContact OD2-CZ 3.5Å; D208-R221 IonicContact OD2-NE 2.68Å; D208-R221 PolarHBondContact OD2-NE 2.91Å; D208-R221 IonicContact OD2-NH2 3.12Å; D208-F225 PolarHBondContact N-O 3.46Å; D208-F225 VanDerWaalsContact N-O 3.17Å; D208-T226 HydrophobicContact CB-CG2 4.46Å; D208-T226 CarbonylContact O-C 3.49Å; D208-T226 WeakPolarHBondContact O-CA 3.48Å; D208-F227 VanDerWaalsContact C-CE1 3.41Å; D208-F227 VanDerWaalsContact O-CD1 3.29Å; D208-F227 WeakPolarHBondContact O-CD1 3.37Å; D208-F227 WeakPolarHBondContact O-CE1 3.3Å; D208-F227 PolarHBondContact O-N 2.89Å; D208-R246 IonicContact OD1-CZ 2.73Å; D208-R246 IonicContact OD1-NH1 3.88Å; D208-R246 PolarHBondContact OD1-NH1 3.03Å; D208-R246 IonicContact OD1-NH2 3.6Å; D208-R246 PolarHBondContact OD1-NH2 3.02Å; D208-H248 IonicContact OD1-CD2 2.9Å; D208-H248 PolarHBondContact OD1-CD2 2.96Å; D208-H248 VanDerWaalsContact OD1-CD2 3.29Å; D208-H248 IonicContact OD2-CD2 3.96Å; D208-Q249 VanDerWaalsContact OD1-CG 3.24Å; D208-Q249 WeakPolarHBondContact OD1-CG 3.38Å; D208-Q249 PolarHBondContact OD1-OE1 2.71Å
209P98.7Very high98.1Very high16 Ų1646 Ų4610%0.10424%0.238CC..EExtended strand (participates in β ladder)trans-70140.2168.130.2-34.1000110.8F227 F258 L263P209-F227 WeakPolarHBondContact CA-O 3.46Å; P209-F227 HydrophobicContact CB-CE2 3.97Å; P209-F227 HydrophobicContact CB-CZ 4.11Å; P209-F258 HydrophobicContact CB-CD1 3.73Å; P209-F258 HydrophobicContact CB-CD2 4.27Å; P209-F258 HydrophobicContact CB-CE1 3.79Å; P209-F258 HydrophobicContact CB-CE2 4.32Å; P209-F258 HydrophobicContact CB-CG 3.97Å; P209-F258 HydrophobicContact CB-CZ 4.09Å; P209-L263 HydrophobicContact CB-CD1 4.35Å; P209-L263 HydrophobicContact CB-CD2 4.45Å; P209-L263 HydrophobicContact CG-CD2 4.06Å
210D98.4Very high98Very high52 Ų5253.2 Ų53.228%0.27827%0.272SS..  trans-137129.5174.1-170.3-26000110.3D212 V213 T226 F227 G228D210-D212 VanDerWaalsContact C-N 3.35Å; D210-D212 PolarHBondContact OD1-N 2.93Å; D210-V213 HydrophobicContact CB-CB 4Å; D210-V213 HydrophobicContact CB-CG2 3.7Å; D210-T226 HydrophobicContact CB-CG2 4.15Å; D210-F227 PolarHBondContact N-O 3.16Å; D210-G228 WeakPolarHBondContact O-CA 3.22Å
211K96.6Very high97.8Very high162 Ų16257.2 Ų57.270%0.70429%0.285SS*.SBendtrans-75.3-25.1-177.969.5-174.1179.7-173.50113F258K211-F258 HydrophobicContact CB-CE2 4.02Å
212D97.1Very high97.7Very high131 Ų13160.4 Ų60.470%0.70132%0.321SS*.SBendtrans-93.5-4.1-174.6-62.4-46.5000111.4D210D210-D212 VanDerWaalsContact C-N 3.35Å; D210-D212 PolarHBondContact OD1-N 2.93Å
213V96.6Very high97.6Very high28 Ų2861.8 Ų61.817%0.1733%0.329CS..  trans-95.9133.5179.4171.70000111.7D210 G228D210-V213 HydrophobicContact CB-CB 4Å; D210-V213 HydrophobicContact CB-CG2 3.7Å; V213-G228 VanDerWaalsContact O-CA 3.27Å; V213-G228 WeakPolarHBondContact O-CA 3.4Å
214L95.6Very high97.5Very high158 Ų15862.8 Ų62.883%0.82734%0.336SS*.SBendtrans-99.6118.2168.9-63.9175.5000109.2W216L214-W216 PolarHBondContact O-N 3.46Å
215G97.9Very high97.5Very high20 Ų2066.6 Ų66.621%0.20635%0.353CS..SBendtrans74-119.2-175.400000111.7F227 G228 V231G215-F227 WeakPolarHBondContact O-CA 3.27Å; G215-G228 PolarHBondContact O-N 3.16Å; G215-V231 WeakPolarHBondContact O-CG2 3.49Å
216W98.6Very high97.5Very high88 Ų8867.1 Ų67.133%0.33336%0.356SS..EExtended strand (participates in β ladder)trans-114.1139.4-179.7-62.696000110.3L176 P178 L214 F225 T226 F227 V231L176-W216 HydrophobicContact CB-CH2 3.74Å; L176-W216 WeakPolarHBondContact O-CH2 3.27Å; L176-W216 WeakPolarHBondContact O-CZ3 3.17Å; P178-W216 VanDerWaalsContact CA-CZ2 3.44Å; P178-W216 HydrophobicContact CB-CD2 4.07Å; P178-W216 HydrophobicContact CB-CG 4.46Å; P178-W216 HydrophobicContact CB-CZ2 3.99Å; P178-W216 HydrophobicContact CG-CD2 4.4Å; P178-W216 HydrophobicContact CG-CE3 4.5Å; L214-W216 PolarHBondContact O-N 3.46Å; W216-F225 HydrophobicContact CE3-CB 3.73Å; W216-F225 HydrophobicContact CE3-CG 4.29Å; W216-F225 HydrophobicContact CZ3-CB 4.27Å; W216-T226 CarbonylContact C-O 3.59Å; W216-T226 WeakPolarHBondContact CA-O 3.38Å; W216-F227 HydrophobicContact CD2-CB 4.38Å; W216-F227 HydrophobicContact CE3-CB 3.77Å; W216-F227 HydrophobicContact CH2-CB 4.12Å; W216-F227 HydrophobicContact CZ3-CB 3.64Å; W216-F227 HydrophobicContact CZ3-CD1 4.06Å; W216-F227 HydrophobicContact CZ3-CG 4.17Å; W216-V231 HydrophobicContact CH2-CG1 4.04Å; W216-V231 HydrophobicContact CZ2-CG1 3.54Å
217G98.1Very high97.5Very high19 Ų1965.4 Ų65.420%0.19635%0.349CS..EExtended strand (participates in β ladder)trans-130.8171.8-179.500000112.7F225 T226G217-F225 WeakPolarHBondContact O-CA 3.49Å; G217-T226 VanDerWaalsContact CA-OG1 3.29Å; G217-T226 WeakPolarHBondContact CA-OG1 3.36Å; G217-T226 PolarHBondContact N-O 3.42Å; G217-T226 PolarHBondContact O-N 3.06Å; G217-T226 PolarHBondContact O-OG1 2.67Å
218E96.7Very high97.5Very high182 Ų18265.4 Ų65.485%0.8535%0.35SS*.EExtended strand (participates in β ladder)trans-65.8147.4169.8-65-173.917100110.2T226E218-T226 WeakPolarHBondContact O-CG2 3.45Å; E218-T226 PolarHBondContact O-OG1 2.85Å
219N97.8Very high97.5Very high14 Ų1468.2 Ų68.28%0.07537%0.37CS..  trans-106.3126.1174.4-167.1-39.7000110.2W206 D208 R221 G222 V223 F225 T226W206-N219 PolarHBondContact O-ND2 3.35Å; D208-N219 PolarHBondContact OD2-ND2 3.48Å; N219-R221 PolarHBondContact O-N 3.23Å; N219-R221 WeakPolarHBondContact OD1-CB 3.36Å; N219-R221 VanDerWaalsContact OD1-CG 3.25Å; N219-R221 WeakPolarHBondContact OD1-CG 3.35Å; N219-R221 PolarHBondContact OD1-N 3.03Å; N219-G222 PolarHBondContact O-N 3.38Å; N219-V223 WeakPolarHBondContact CB-O 3.19Å; N219-F225 PolarHBondContact ND2-O 3.01Å; N219-T226 HydrophobicContact CB-CG2 4.19Å
220D95.9Very high97.5Very high171 Ų17172 Ų7291%0.91439%0.386SS*.THydrogen-bonded Turntrans-59.6-16.4179.8-73.4-17.4000113.5G222D220-G222 PolarHBondContact O-N 2.94Å
221R94.9Very high97.5Very high108 Ų10870.5 Ų70.541%0.40838%0.378SS..THydrogen-bonded Turntrans-69-12.8171.9-62.2176.7-171-94.915.5113.1D208 N219 V223 H248D208-R221 IonicContact OD1-NH2 3.2Å; D208-R221 IonicContact OD2-CZ 3.5Å; D208-R221 IonicContact OD2-NE 2.68Å; D208-R221 PolarHBondContact OD2-NE 2.91Å; D208-R221 IonicContact OD2-NH2 3.12Å; N219-R221 PolarHBondContact O-N 3.23Å; N219-R221 WeakPolarHBondContact OD1-CB 3.36Å; N219-R221 VanDerWaalsContact OD1-CG 3.25Å; N219-R221 WeakPolarHBondContact OD1-CG 3.35Å; N219-R221 PolarHBondContact OD1-N 3.03Å; R221-V223 HydrophobicContact CB-CG1 3.93Å; R221-V223 PolarHBondContact O-N 3.28Å; R221-H248 PolarHBondContact NE-NE2 3.01Å; R221-H248 PolarHBondContact NH2-CD2 3.3Å; R221-H248 PolarHBondContact NH2-NE2 3.08Å; R221-H248 PolarHBondContact NH2-O 3.23Å
222G96.4Very high97.6Very high78 Ų7862.8 Ų62.880%0.80435%0.345SS*.SBendtrans72.417-175.800000113.7N219 D220N219-G222 PolarHBondContact O-N 3.38Å; D220-G222 PolarHBondContact O-N 2.94Å
223V97.1Very high97.7Very high30 Ų3058.2 Ų58.218%0.18233%0.325CS..SBendtrans-146.6142.5179.459.30000109.5C202 W206 N219 R221C202-V223 WeakPolarHBondContact SG-CG2 3.42Å; W206-V223 HydrophobicContact CB-CG1 4.33Å; W206-V223 HydrophobicContact CB-CG2 4.4Å; W206-V223 HydrophobicContact CD2-CG1 3.56Å; W206-V223 HydrophobicContact CD2-CG2 4.21Å; W206-V223 HydrophobicContact CE3-CG1 3.26Å; W206-V223 HydrophobicContact CG-CG1 4.08Å; W206-V223 HydrophobicContact CG-CG2 4.09Å; W206-V223 HydrophobicContact CH2-CG1 4.25Å; W206-V223 HydrophobicContact CZ3-CG1 3.63Å; N219-V223 WeakPolarHBondContact CB-O 3.19Å; R221-V223 HydrophobicContact CB-CG1 3.93Å; R221-V223 PolarHBondContact O-N 3.28Å
224S98.2Very high97.8Very high21 Ų2163 Ų6315%0.14734%0.344CS..SBendtrans56.1-152.2-175.9-166.90000113.3D203D203-S224 VanDerWaalsContact CA-OG 3.27Å; D203-S224 WeakPolarHBondContact CA-OG 3.33Å; D203-S224 WeakPolarHBondContact OD1-CB 3.19Å; D203-S224 PolarHBondContact OD1-OG 3.23Å
225F98.6Very high98Very high81 Ų8156.2 Ų56.236%0.35531%0.308SS..EExtended strand (participates in β ladder)trans-131160.8-169.1-59.3-82.9000111.9P178 S207 D208 W216 G217 N219P178-F225 HydrophobicContact CG-CD2 4.02Å; P178-F225 HydrophobicContact CG-CE2 3.87Å; P178-F225 HydrophobicContact CG-CZ 4.47Å; S207-F225 WeakPolarHBondContact CA-O 3.44Å; S207-F225 VanDerWaalsContact CB-O 3.3Å; S207-F225 WeakPolarHBondContact CB-O 3.34Å; D208-F225 PolarHBondContact N-O 3.46Å; D208-F225 VanDerWaalsContact N-O 3.17Å; W216-F225 HydrophobicContact CE3-CB 3.73Å; W216-F225 HydrophobicContact CE3-CG 4.29Å; W216-F225 HydrophobicContact CZ3-CB 4.27Å; G217-F225 WeakPolarHBondContact O-CA 3.49Å; N219-F225 PolarHBondContact ND2-O 3.01Å
226T98.8Very high98Very high10 Ų1055.3 Ų55.36%0.06130%0.298CS..EExtended strand (participates in β ladder)trans-95152.4158.248.30000110.1D208 D210 W216 G217 E218 N219D208-T226 HydrophobicContact CB-CG2 4.46Å; D208-T226 CarbonylContact O-C 3.49Å; D208-T226 WeakPolarHBondContact O-CA 3.48Å; D210-T226 HydrophobicContact CB-CG2 4.15Å; W216-T226 CarbonylContact C-O 3.59Å; W216-T226 WeakPolarHBondContact CA-O 3.38Å; G217-T226 VanDerWaalsContact CA-OG1 3.29Å; G217-T226 WeakPolarHBondContact CA-OG1 3.36Å; G217-T226 PolarHBondContact N-O 3.42Å; G217-T226 PolarHBondContact O-N 3.06Å; G217-T226 PolarHBondContact O-OG1 2.67Å; E218-T226 WeakPolarHBondContact O-CG2 3.45Å; E218-T226 PolarHBondContact O-OG1 2.85Å; N219-T226 HydrophobicContact CB-CG2 4.19Å
227F98.9Very high98Very high0 Ų059.1 Ų59.10%032%0.319CS..EExtended strand (participates in β ladder)trans-135.3138.3177.457.7-88.3000113.7L176 D208 P209 D210 G215 W216 V231 V232 L263L176-F227 HydrophobicContact CB-CD1 4.41Å; L176-F227 HydrophobicContact CB-CE1 4.43Å; L176-F227 HydrophobicContact CB-CG 4.46Å; L176-F227 HydrophobicContact CB-CZ 4.49Å; L176-F227 HydrophobicContact CD1-CD2 4.27Å; L176-F227 HydrophobicContact CD1-CE2 4.28Å; L176-F227 HydrophobicContact CG-CD2 4.5Å; L176-F227 HydrophobicContact CG-CE2 4.22Å; L176-F227 HydrophobicContact CG-CZ 4.39Å; D208-F227 VanDerWaalsContact C-CE1 3.41Å; D208-F227 VanDerWaalsContact O-CD1 3.29Å; D208-F227 WeakPolarHBondContact O-CD1 3.37Å; D208-F227 WeakPolarHBondContact O-CE1 3.3Å; D208-F227 PolarHBondContact O-N 2.89Å; P209-F227 WeakPolarHBondContact CA-O 3.46Å; P209-F227 HydrophobicContact CB-CE2 3.97Å; P209-F227 HydrophobicContact CB-CZ 4.11Å; D210-F227 PolarHBondContact N-O 3.16Å; G215-F227 WeakPolarHBondContact O-CA 3.27Å; W216-F227 HydrophobicContact CD2-CB 4.38Å; W216-F227 HydrophobicContact CE3-CB 3.77Å; W216-F227 HydrophobicContact CH2-CB 4.12Å; W216-F227 HydrophobicContact CZ3-CB 3.64Å; W216-F227 HydrophobicContact CZ3-CD1 4.06Å; W216-F227 HydrophobicContact CZ3-CG 4.17Å; F227-V231 HydrophobicContact CB-CB 4.19Å; F227-V231 HydrophobicContact CB-CG1 4.2Å; F227-V231 HydrophobicContact CB-CG2 4.36Å; F227-V232 HydrophobicContact CD2-CG2 3.88Å; F227-V232 HydrophobicContact CE2-CG2 3.74Å; F227-L263 HydrophobicContact CE2-CD1 3.75Å; F227-L263 HydrophobicContact CZ-CD1 4Å
228G98.7Very high98.1Very high1 Ų163.2 Ų63.21%0.0133%0.332CS..  trans-81.4168-177.600000114.8D210 V213 G215 E230 V231 V232D210-G228 WeakPolarHBondContact O-CA 3.22Å; V213-G228 VanDerWaalsContact O-CA 3.27Å; V213-G228 WeakPolarHBondContact O-CA 3.4Å; G215-G228 PolarHBondContact O-N 3.16Å; G228-E230 PolarHBondContact O-N 2.93Å; G228-V231 WeakPolarHBondContact O-CB 3.42Å; G228-V231 PolarHBondContact O-N 3.3Å; G228-V232 PolarHBondContact O-N 2.88Å
229S98.6Very high98.2Very high62 Ų6256.8 Ų56.843%0.43430%0.302SS..Hα-helixtrans-59-29.4178.560.30000114.2V231 V232 A233S229-V231 VanDerWaalsContact C-N 3.35Å; S229-V232 PolarHBondContact O-N 3.15Å; S229-A233 PolarHBondContact O-N 3.07Å
230E98.3Very high98.2Very high97 Ų9761.6 Ų61.645%0.45333%0.328SS..Hα-helixtrans-67.2-35.3175.2-170.4-174.3175.500112.2G228 A233 K234G228-E230 PolarHBondContact O-N 2.93Å; E230-A233 PolarHBondContact O-N 2.9Å; E230-K234 HydrophobicContact CG-CD 4.21Å; E230-K234 HydrophobicContact CG-CG 4.5Å; E230-K234 WeakPolarHBondContact O-CB 3.46Å; E230-K234 WeakPolarHBondContact O-CG 3.27Å; E230-K234 PolarHBondContact O-N 2.85Å; E230-K234 WeakPolarHBondContact OE1-CE 3.42Å; E230-K234 IonicContact OE1-NZ 3.74Å; E230-K234 PolarHBondContact OE1-NZ 2.98Å
231V98.8Very high98.3Very high19 Ų1954 Ų5412%0.11529%0.287CS..Hα-helixtrans-65-44.5176.5-179.80000109.8L176 G215 W216 F227 G228 S229 K234 F235L176-V231 HydrophobicContact CD1-CG1 3.92Å; G215-V231 WeakPolarHBondContact O-CG2 3.49Å; W216-V231 HydrophobicContact CH2-CG1 4.04Å; W216-V231 HydrophobicContact CZ2-CG1 3.54Å; F227-V231 HydrophobicContact CB-CB 4.19Å; F227-V231 HydrophobicContact CB-CG1 4.2Å; F227-V231 HydrophobicContact CB-CG2 4.36Å; G228-V231 WeakPolarHBondContact O-CB 3.42Å; G228-V231 PolarHBondContact O-N 3.3Å; S229-V231 VanDerWaalsContact C-N 3.35Å; V231-K234 PolarHBondContact O-N 2.88Å; V231-F235 VanDerWaalsContact O-CB 3.31Å; V231-F235 WeakPolarHBondContact O-CB 3.38Å; V231-F235 PolarHBondContact O-N 3.22Å
232V98.9Very high98.5Very high0 Ų053.6 Ų53.60%029%0.293CS..Hα-helixtrans-56.2-53.5174.3172.20000110.8L176 F227 G228 S229 K234 F235 L236 I244 F258 A259 Q262 L263L176-V232 HydrophobicContact CD1-CG2 4.48Å; F227-V232 HydrophobicContact CD2-CG2 3.88Å; F227-V232 HydrophobicContact CE2-CG2 3.74Å; G228-V232 PolarHBondContact O-N 2.88Å; S229-V232 PolarHBondContact O-N 3.15Å; V232-K234 PolarHBondContact O-N 3.21Å; V232-F235 PolarHBondContact O-N 3.41Å; V232-L236 HydrophobicContact CG1-CD1 3.91Å; V232-L236 HydrophobicContact CG1-CG 4.44Å; V232-L236 WeakPolarHBondContact O-CG 3.4Å; V232-L236 PolarHBondContact O-N 3.37Å; V232-I244 HydrophobicContact CB-CD1 4.46Å; V232-I244 HydrophobicContact CG1-CD1 4Å; V232-I244 HydrophobicContact CG2-CD1 4.26Å; V232-F258 HydrophobicContact CG2-CD1 4.13Å; V232-F258 HydrophobicContact CG2-CE1 3.9Å; V232-A259 HydrophobicContact CB-CB 4.13Å; V232-A259 HydrophobicContact CG1-CB 3.99Å; V232-A259 HydrophobicContact CG2-CB 4.49Å; V232-Q262 HydrophobicContact CG1-CB 3.72Å; V232-L263 HydrophobicContact CG1-CB 4.27Å; V232-L263 HydrophobicContact CG2-CD1 4.1Å
233A98.8Very high98.6Very high35 Ų3550.6 Ų50.629%0.28926%0.258SS..Hα-helixtrans-61.1-42.4-17800000112.6S229 E230 H237S229-A233 PolarHBondContact O-N 3.07Å; E230-A233 PolarHBondContact O-N 2.9Å; A233-H237 VanDerWaalsContact O-CB 3.31Å; A233-H237 WeakPolarHBondContact O-CB 3.49Å; A233-H237 PolarHBondContact O-N 3.18Å
234K98.8Very high98.7Very high128 Ų12849.2 Ų49.256%0.55725%0.25SC*.Hα-helixtrans-65-42.6177.2-76.7176.4-179.2168.70112.2E230 V231 V232 K238E230-K234 HydrophobicContact CG-CD 4.21Å; E230-K234 HydrophobicContact CG-CG 4.5Å; E230-K234 WeakPolarHBondContact O-CB 3.46Å; E230-K234 WeakPolarHBondContact O-CG 3.27Å; E230-K234 PolarHBondContact O-N 2.85Å; E230-K234 WeakPolarHBondContact OE1-CE 3.42Å; E230-K234 IonicContact OE1-NZ 3.74Å; E230-K234 PolarHBondContact OE1-NZ 2.98Å; V231-K234 PolarHBondContact O-N 2.88Å; V232-K234 PolarHBondContact O-N 3.21Å; K234-K238 WeakPolarHBondContact O-CB 3.05Å; K234-K238 PolarHBondContact O-N 3.01Å
235F98.9Very high98.8Very high16 Ų1648.2 Ų48.27%0.0724%0.243CC..Hα-helixtrans-62-51.3178.5174.7-96.2000111.1F170 L176 L180 M183 V231 V232 H237 K238 H239 L241 I244F170-F235 HydrophobicContact CB-CE1 4.23Å; F170-F235 HydrophobicContact CD1-CE1 4.09Å; F170-F235 HydrophobicContact CD1-CZ 4.15Å; F170-F235 HydrophobicContact CD2-CZ 4.31Å; F170-F235 HydrophobicContact CE1-CZ 4.36Å; F170-F235 HydrophobicContact CG-CE1 4.09Å; F170-F235 HydrophobicContact CG-CZ 4.13Å; L176-F235 HydrophobicContact CD1-CB 3.79Å; L176-F235 HydrophobicContact CD1-CD1 4.25Å; L176-F235 HydrophobicContact CD1-CD2 4.45Å; L176-F235 HydrophobicContact CD1-CG 3.92Å; L176-F235 HydrophobicContact CD2-CD1 3.72Å; L176-F235 HydrophobicContact CD2-CD2 3.86Å; L176-F235 HydrophobicContact CD2-CE1 3.7Å; L176-F235 HydrophobicContact CD2-CE2 3.85Å; L176-F235 HydrophobicContact CD2-CG 3.78Å; L176-F235 HydrophobicContact CD2-CZ 3.74Å; L180-F235 HydrophobicContact CD2-CE2 3.6Å; L180-F235 HydrophobicContact CD2-CZ 4.06Å; L180-F235 HydrophobicContact CG-CE2 4.07Å; M183-F235 HydrophobicContact CE-CE1 4.45Å; M183-F235 HydrophobicContact CE-CE2 4.2Å; M183-F235 HydrophobicContact CE-CZ 3.62Å; V231-F235 VanDerWaalsContact O-CB 3.31Å; V231-F235 WeakPolarHBondContact O-CB 3.38Å; V231-F235 PolarHBondContact O-N 3.22Å; V232-F235 PolarHBondContact O-N 3.41Å; F235-H237 PolarHBondContact O-N 3.05Å; F235-K238 PolarHBondContact O-N 3.32Å; F235-H239 AromaticContact CD2-CD2 3.58Å; F235-H239 AromaticContact CE2-CD2 3.52Å; F235-H239 AromaticContact CE2-NE2 3.92Å; F235-H239 PolarHBondContact O-CD2 3.01Å; F235-H239 VanDerWaalsContact O-CD2 3.28Å; F235-H239 PolarHBondContact O-N 2.81Å; F235-H239 VanDerWaalsContact O-N 3.11Å; F235-L241 HydrophobicContact CD1-CD1 4.33Å; F235-L241 HydrophobicContact CE1-CD1 3.6Å; F235-L241 HydrophobicContact CZ-CD1 4.16Å; F235-I244 HydrophobicContact CD1-CD1 3.92Å; F235-I244 HydrophobicContact CD1-CG1 4.27Å; F235-I244 HydrophobicContact CE1-CD1 4.32Å; F235-I244 HydrophobicContact CE1-CG1 4.32Å
236L98.9Very high98.8Very high2 Ų244.3 Ų44.31%0.0123%0.226CC..Hα-helixtrans-58.8-49.4179.3-71.8177.8000111.7V232 K238 H239 D240 L241 I244 Q262V232-L236 HydrophobicContact CG1-CD1 3.91Å; V232-L236 HydrophobicContact CG1-CG 4.44Å; V232-L236 WeakPolarHBondContact O-CG 3.4Å; V232-L236 PolarHBondContact O-N 3.37Å; L236-K238 VanDerWaalsContact C-N 3.34Å; L236-K238 PolarHBondContact O-N 2.88Å; L236-H239 CarbonylContact O-C 3.53Å; L236-H239 PolarHBondContact O-N 3.29Å; L236-D240 PolarHBondContact O-N 3.39Å; L236-L241 WeakPolarHBondContact CB-O 3.4Å; L236-L241 HydrophobicContact CD2-CB 3.41Å; L236-L241 VanDerWaalsContact CD2-CB 3.41Å; L236-L241 HydrophobicContact CD2-CD1 4.37Å; L236-L241 PolarHBondContact O-N 2.76Å; L236-I244 HydrophobicContact CD2-CG1 3.93Å; L236-I244 HydrophobicContact CG-CG1 4.44Å; L236-Q262 HydrophobicContact CD1-CB 3.53Å; L236-Q262 HydrophobicContact CD1-CG 3.99Å
237H98.8Very high98.8Very high167 Ų16743.9 Ų43.977%0.77322%0.223SC*.Hα-helixtrans-60.8-41.2177.7177.6-87.5000112.7A233 F235 H239A233-H237 VanDerWaalsContact O-CB 3.31Å; A233-H237 WeakPolarHBondContact O-CB 3.49Å; A233-H237 PolarHBondContact O-N 3.18Å; F235-H237 PolarHBondContact O-N 3.05Å; H237-H239 VanDerWaalsContact C-N 3.28Å; H237-H239 PolarHBondContact O-N 3Å
238K98.7Very high98.8Very high105 Ų10544.4 Ų44.446%0.45723%0.225SC..Hα-helixtrans-64.6-33.4-179.8177.2178.3174.2-1740112.6Q181 K234 F235 L236Q181-K238 WeakPolarHBondContact O-CE 3.42Å; Q181-K238 PolarHBondContact O-NZ 3.24Å; K234-K238 WeakPolarHBondContact O-CB 3.05Å; K234-K238 PolarHBondContact O-N 3.01Å; F235-K238 PolarHBondContact O-N 3.32Å; L236-K238 VanDerWaalsContact C-N 3.34Å; L236-K238 PolarHBondContact O-N 2.88Å
239H98.7Very high98.7Very high47 Ų4747.1 Ų47.122%0.21824%0.238CC..Hα-helixtrans-107.17.5-173.8-66.3-65.3000113.6M183 F235 L236 H237 L241M183-H239 HydrophobicContact CE-CB 4.26Å; F235-H239 AromaticContact CD2-CD2 3.58Å; F235-H239 AromaticContact CE2-CD2 3.52Å; F235-H239 AromaticContact CE2-NE2 3.92Å; F235-H239 PolarHBondContact O-CD2 3.01Å; F235-H239 VanDerWaalsContact O-CD2 3.28Å; F235-H239 PolarHBondContact O-N 2.81Å; F235-H239 VanDerWaalsContact O-N 3.11Å; L236-H239 CarbonylContact O-C 3.53Å; L236-H239 PolarHBondContact O-N 3.29Å; H237-H239 VanDerWaalsContact C-N 3.28Å; H237-H239 PolarHBondContact O-N 3Å; H239-L241 VanDerWaalsContact C-N 3.26Å; H239-L241 HydrophobicContact CB-CD1 3.81Å; H239-L241 HydrophobicContact CB-CG 4.05Å; H239-L241 PolarHBondContact O-N 3Å
240D98.6Very high98.7Very high116 Ų11646.5 Ų46.562%0.6223%0.231SC*.THydrogen-bonded Turntrans53.239.8-176.4-165.646.2000114K168 L236K168-D240 VanDerWaalsContact NZ-CG 3.32Å; K168-D240 PolarHBondContact NZ-O 3.3Å; K168-D240 IonicContact NZ-OD1 3.59Å; K168-D240 IonicContact NZ-OD2 2.84Å; K168-D240 PolarHBondContact NZ-OD2 3.44Å; L236-D240 PolarHBondContact O-N 3.39Å
241L98.8Very high98.7Very high12 Ų1242.4 Ų42.46%0.06321%0.213CC..  trans-101.3156.7178-65.8165.5000110.8I164 E167 F170 M183 F235 L236 H239I164-L241 HydrophobicContact CG2-CD2 4.22Å; E167-L241 WeakPolarHBondContact O-CD2 3.41Å; F170-L241 HydrophobicContact CB-CD1 3.73Å; F170-L241 HydrophobicContact CB-CD2 4.49Å; M183-L241 HydrophobicContact CE-CD1 3.96Å; F235-L241 HydrophobicContact CD1-CD1 4.33Å; F235-L241 HydrophobicContact CE1-CD1 3.6Å; F235-L241 HydrophobicContact CZ-CD1 4.16Å; L236-L241 WeakPolarHBondContact CB-O 3.4Å; L236-L241 HydrophobicContact CD2-CB 3.41Å; L236-L241 VanDerWaalsContact CD2-CB 3.41Å; L236-L241 HydrophobicContact CD2-CD1 4.37Å; L236-L241 PolarHBondContact O-N 2.76Å; H239-L241 VanDerWaalsContact C-N 3.26Å; H239-L241 HydrophobicContact CB-CD1 3.81Å; H239-L241 HydrophobicContact CB-CG 4.05Å; H239-L241 PolarHBondContact O-N 3Å
242D98.8Very high98.6Very high99 Ų9948.8 Ų48.853%0.52924%0.241SC..SBendtrans-104.4-31.8179.6-67.3-20.4000112.8K168K168-D242 HydrophobicContact CB-CB 4.43Å; K168-D242 WeakPolarHBondContact CD-OD2 3.35Å; K168-D242 PolarHBondContact O-N 3.41Å
243L98.9Very high98.5Very high15 Ų1553 Ų538%0.07926%0.264CS..EExtended strand (participates in β ladder)trans-145.4142.2-171.2-179.464.5000112.3K168 I169 F170 R261 Q262 V264 M283K168-L243 PolarHBondContact O-N 3.42Å; I169-L243 CarbonylContact C-O 3.14Å; I169-L243 WeakPolarHBondContact CA-O 3.25Å; I169-L243 HydrophobicContact CD1-CD2 4.39Å; I169-L243 HydrophobicContact CG1-CB 4.31Å; I169-L243 HydrophobicContact CG1-CD2 4.47Å; I169-L243 HydrophobicContact CG2-CB 4.12Å; I169-L243 HydrophobicContact CG2-CD2 3.98Å; I169-L243 HydrophobicContact CG2-CG 4.08Å; F170-L243 PolarHBondContact N-O 2.94Å; L243-R261 WeakPolarHBondContact CD1-O 3.11Å; L243-Q262 WeakPolarHBondContact CA-O 3.45Å; L243-V264 HydrophobicContact CD1-CB 4.44Å; L243-V264 HydrophobicContact CD1-CG1 4.13Å; L243-V264 HydrophobicContact CD2-CG1 4.14Å; L243-V264 HydrophobicContact CG-CG1 4.4Å; L243-M283 HydrophobicContact CD2-CE 4.18Å; L243-M283 HydrophobicContact CD2-SD 4.35Å
244I98.9Very high98.5Very high0 Ų051.3 Ų51.30%025%0.25CS..EExtended strand (participates in β ladder)trans-100.5125.9160.3-60.9169.6000108.4F170 L176 V232 F235 L236 Q262 L263 V264F170-I244 HydrophobicContact CD1-CG2 4.43Å; F170-I244 CarbonylContact O-C 3.19Å; F170-I244 WeakPolarHBondContact O-CA 3.49Å; L176-I244 HydrophobicContact CD1-CD1 3.74Å; L176-I244 HydrophobicContact CD2-CD1 3.83Å; L176-I244 HydrophobicContact CG-CD1 3.92Å; V232-I244 HydrophobicContact CB-CD1 4.46Å; V232-I244 HydrophobicContact CG1-CD1 4Å; V232-I244 HydrophobicContact CG2-CD1 4.26Å; F235-I244 HydrophobicContact CD1-CD1 3.92Å; F235-I244 HydrophobicContact CD1-CG1 4.27Å; F235-I244 HydrophobicContact CE1-CD1 4.32Å; F235-I244 HydrophobicContact CE1-CG1 4.32Å; L236-I244 HydrophobicContact CD2-CG1 3.93Å; L236-I244 HydrophobicContact CG-CG1 4.44Å; I244-Q262 PolarHBondContact N-O 3.24Å; I244-L263 HydrophobicContact CB-CB 4.13Å; I244-L263 HydrophobicContact CB-CD1 4Å; I244-L263 HydrophobicContact CB-CG 3.95Å; I244-L263 HydrophobicContact CD1-CD1 4.26Å; I244-L263 HydrophobicContact CG2-CD1 3.78Å; I244-L263 HydrophobicContact CG2-CG 4Å; I244-L263 CarbonylContact O-C 3.5Å; I244-L263 VanDerWaalsContact O-CA 3.26Å; I244-L263 WeakPolarHBondContact O-CA 3.17Å; I244-V264 PolarHBondContact O-N 2.88Å
245C98.9Very high98.5Very high0 Ų048.4 Ų48.40%024%0.236CC..EExtended strand (participates in β ladder)trans-112.3118.9172.6-1760000109.5I169 F170 C171 C172 V264 L266 M283I169-C245 HydrophobicContact CG2-CB 3.84Å; F170-C245 PolarHBondContact O-N 3.19Å; C171-C245 VanDerWaalsContact CA-O 3.25Å; C171-C245 WeakPolarHBondContact CA-O 3.48Å; C172-C245 PolarHBondContact N-O 3.35Å; C245-V264 HydrophobicContact CB-CG1 4.04Å; C245-L266 VanDerWaalsContact SG-CD1 3.54Å; C245-M283 HydrophobicContact CB-CE 4.1Å
246R98.9Very high98.5Very high0 Ų052.9 Ų52.90%026%0.257CS..EExtended strand (participates in β ladder)trans-136.7176.6-17670.277.753.9146.522.7113C172 H173 G174 S207 D208 H248 L263 V264 T265 L266C172-R246 VanDerWaalsContact O-CA 3.28Å; C172-R246 WeakPolarHBondContact O-CA 3.5Å; H173-R246 PolarHBondContact O-NE 3.13Å; G174-R246 WeakPolarHBondContact O-CB 3.06Å; G174-R246 PolarHBondContact O-NE 3.44Å; G174-R246 PolarHBondContact O-NH2 3.44Å; S207-R246 PolarHBondContact O-NH2 3.05Å; D208-R246 IonicContact OD1-CZ 2.73Å; D208-R246 IonicContact OD1-NH1 3.88Å; D208-R246 PolarHBondContact OD1-NH1 3.03Å; D208-R246 IonicContact OD1-NH2 3.6Å; D208-R246 PolarHBondContact OD1-NH2 3.02Å; R246-H248 PolarHBondContact NH2-CD2 2.74Å; R246-L263 HydrophobicContact CG-CD1 4.36Å; R246-L263 HydrophobicContact CG-CD2 4.02Å; R246-L263 HydrophobicContact CG-CG 4.32Å; R246-V264 PolarHBondContact N-O 3.5Å; R246-T265 VanDerWaalsContact CD-OG1 3.26Å; R246-T265 WeakPolarHBondContact CD-OG1 3.34Å; R246-T265 CarbonylContact O-C 3.28Å; R246-T265 WeakPolarHBondContact O-CA 3.43Å; R246-L266 PolarHBondContact O-N 3.37Å
247A98.9Very high98.4Very high0 Ų056.1 Ų56.10%027%0.271CS..  trans-128.4-124.8-176.300000114.3D64 L90 H173 Q249 T265 L266D64-A247 WeakPolarHBondContact OD1-CB 3.29Å; L90-A247 HydrophobicContact CB-CB 3.75Å; L90-A247 HydrophobicContact CD1-CB 3.95Å; H173-A247 PolarHBondContact O-N 2.85Å; A247-Q249 PolarHBondContact O-N 3.38Å; A247-T265 WeakPolarHBondContact O-CG2 3.39Å; A247-L266 WeakPolarHBondContact CA-O 3.43Å; A247-L266 VanDerWaalsContact CB-O 3.32Å; A247-L266 WeakPolarHBondContact CB-O 3.36Å
248H98.6Very high98.4Very high11 Ų1149.7 Ų49.75%0.05124%0.241CC..SBendtrans65-20160.4-168.963.8000119.4D64 N124 H173 W206 D208 R221 R246D64-H248 PolarHBondContact OD1-N 3.31Å; N124-H248 PolarHBondContact OD1-CE1 3.22Å; N124-H248 VanDerWaalsContact OD1-CE1 3.25Å; N124-H248 PolarHBondContact OD1-ND1 3.13Å; H173-H248 AromaticContact CD2-CG 3.99Å; H173-H248 AromaticContact CD2-ND1 3.67Å; H173-H248 WeakPolarHBondContact NE2-CB 3.3Å; H173-H248 AromaticContact NE2-CG 3.57Å; H173-H248 AromaticContact NE2-ND1 3.08Å; H173-H248 PolarHBondContact NE2-ND1 2.96Å; W206-H248 AromaticContact CE3-CE1 3.89Å; D208-H248 IonicContact OD1-CD2 2.9Å; D208-H248 PolarHBondContact OD1-CD2 2.96Å; D208-H248 VanDerWaalsContact OD1-CD2 3.29Å; D208-H248 IonicContact OD2-CD2 3.96Å; R221-H248 PolarHBondContact NE-NE2 3.01Å; R221-H248 PolarHBondContact NH2-CD2 3.3Å; R221-H248 PolarHBondContact NH2-NE2 3.08Å; R221-H248 PolarHBondContact NH2-O 3.23Å; R246-H248 PolarHBondContact NH2-CD2 2.74Å
249Q98.4Very high98.4Very high59 Ų5945.3 Ų45.328%0.27623%0.225SC..SBendtrans-119.2130175.9-77.9174.8-53.400110.2D208 A247 V251 T265 F267D208-Q249 VanDerWaalsContact OD1-CG 3.24Å; D208-Q249 WeakPolarHBondContact OD1-CG 3.38Å; D208-Q249 PolarHBondContact OD1-OE1 2.71Å; A247-Q249 PolarHBondContact O-N 3.38Å; Q249-V251 PolarHBondContact O-N 2.78Å; Q249-T265 HydrophobicContact CB-CG2 4.22Å; Q249-F267 WeakPolarHBondContact O-CD2 3.47Å
250V97.9Very high98.4Very high49 Ų4953 Ų5330%0.29726%0.257SS..  trans-65.4125.9171.1-175.30000108.5F267 Y272 F276 N278V250-F267 HydrophobicContact CG2-CD2 4.3Å; V250-F267 HydrophobicContact CG2-CE1 4.04Å; V250-F267 HydrophobicContact CG2-CE2 3.76Å; V250-F267 HydrophobicContact CG2-CZ 3.63Å; V250-Y272 HydrophobicContact CG2-CD1 3.54Å; V250-Y272 HydrophobicContact CG2-CE1 4.04Å; V250-Y272 HydrophobicContact CG2-CG 4.16Å; V250-F276 HydrophobicContact CG1-CB 4.31Å; V250-F276 HydrophobicContact CG1-CD1 4.03Å; V250-F276 HydrophobicContact CG1-CG 4.15Å; V250-N278 HydrophobicContact CG1-CB 3.77Å
251V97.7Very high98.4Very high11 Ų1156.1 Ų56.17%0.06726%0.26CS..  trans-127.2143.6177.7-68.30000109.7Q249 D253 G254 E256 T265 F267 N278Q249-V251 PolarHBondContact O-N 2.78Å; V251-D253 PolarHBondContact O-N 2.95Å; V251-G254 VanDerWaalsContact CG2-C 3.48Å; V251-G254 PolarHBondContact O-N 3.03Å; V251-E256 HydrophobicContact CB-CB 3.89Å; V251-E256 HydrophobicContact CG1-CB 3.66Å; V251-E256 HydrophobicContact CG2-CB 4.34Å; V251-T265 HydrophobicContact CG1-CG2 3.79Å; V251-T265 HydrophobicContact CG2-CG2 4.34Å; V251-F267 HydrophobicContact CG2-CB 4.13Å; V251-N278 WeakPolarHBondContact O-CB 3.42Å
252E96.3Very high98.4Very high153 Ų15358.6 Ų58.672%0.71527%0.272SS*.THydrogen-bonded Turntrans-56.4-48.8-165.8-174.3174.9-178.300113.1G254 N278 A279E252-G254 VanDerWaalsContact C-N 3.29Å; E252-G254 PolarHBondContact O-N 3.4Å; E252-N278 CarbonylContact O-C 3.54Å; E252-N278 VanDerWaalsContact O-CA 3.29Å; E252-N278 WeakPolarHBondContact O-CA 3.25Å; E252-A279 PolarHBondContact O-N 3.37Å
253D97Very high98.4Very high88 Ų8853.9 Ų53.947%0.47125%0.246SC..THydrogen-bonded Turntrans-89.18.7-177.8-74-40000113.6V251 Y255V251-D253 PolarHBondContact O-N 2.95Å; D253-Y255 HydrophobicContact CB-CD1 4.26Å; D253-Y255 HydrophobicContact CB-CE1 4.17Å; D253-Y255 PolarHBondContact O-N 3.02Å
254G98.3Very high98.4Very high0 Ų053.1 Ų53.10%024%0.243CC..SBendtrans74.4-9-172.800000114.1V251 E252 F267 A279 A281V251-G254 VanDerWaalsContact CG2-C 3.48Å; V251-G254 PolarHBondContact O-N 3.03Å; E252-G254 VanDerWaalsContact C-N 3.29Å; E252-G254 PolarHBondContact O-N 3.4Å; G254-F267 WeakPolarHBondContact CA-O 3.3Å; G254-F267 PolarHBondContact O-N 3.47Å; G254-F267 VanDerWaalsContact O-O 3.13Å; G254-A279 VanDerWaalsContact CA-O 3.25Å; G254-A279 WeakPolarHBondContact CA-O 3.23Å; G254-A279 PolarHBondContact N-O 2.72Å; G254-A281 VanDerWaalsContact C-CB 3.42Å; G254-A281 WeakPolarHBondContact O-CB 3.36Å
255Y98.8Very high98.4Very high67 Ų6753.3 Ų53.326%0.26324%0.244SC..EExtended strand (participates in β ladder)trans-140150165.178.5-70.9000110.7D253 F257 V264 T265 A281 F293 I295D253-Y255 HydrophobicContact CB-CD1 4.26Å; D253-Y255 HydrophobicContact CB-CE1 4.17Å; D253-Y255 PolarHBondContact O-N 3.02Å; Y255-F257 HydrophobicContact CD2-CD2 4.43Å; Y255-F257 HydrophobicContact CD2-CE2 4.3Å; Y255-F257 HydrophobicContact CE2-CD2 4.12Å; Y255-F257 AromaticContact CE2-CE2 3.94Å; Y255-F257 HydrophobicContact CE2-CE2 3.94Å; Y255-V264 HydrophobicContact CD2-CG2 4.4Å; Y255-T265 CarbonylContact C-O 3.44Å; Y255-T265 WeakPolarHBondContact CA-O 3.46Å; Y255-A281 HydrophobicContact CD1-CB 4.38Å; Y255-F293 HydrophobicContact CD1-CB 4.17Å; Y255-F293 HydrophobicContact CD1-CD1 4.14Å; Y255-F293 HydrophobicContact CD1-CG 4.09Å; Y255-F293 AromaticContact CD2-CD1 3.68Å; Y255-F293 HydrophobicContact CD2-CD1 3.68Å; Y255-F293 AromaticContact CD2-CD2 3.88Å; Y255-F293 HydrophobicContact CD2-CD2 3.88Å; Y255-F293 AromaticContact CD2-CE1 3.61Å; Y255-F293 HydrophobicContact CD2-CE1 3.61Å; Y255-F293 AromaticContact CD2-CE2 3.83Å; Y255-F293 HydrophobicContact CD2-CE2 3.83Å; Y255-F293 AromaticContact CD2-CG 3.81Å; Y255-F293 HydrophobicContact CD2-CG 3.81Å; Y255-F293 AromaticContact CD2-CZ 3.7Å; Y255-F293 HydrophobicContact CD2-CZ 3.7Å; Y255-F293 HydrophobicContact CE1-CB 4.24Å; Y255-F293 HydrophobicContact CE1-CG 4.29Å; Y255-F293 HydrophobicContact CE2-CD1 4.34Å; Y255-F293 AromaticContact CE2-CD2 3.71Å; Y255-F293 HydrophobicContact CE2-CD2 3.71Å; Y255-F293 HydrophobicContact CE2-CE1 4.4Å; Y255-F293 AromaticContact CE2-CE2 3.81Å; Y255-F293 HydrophobicContact CE2-CE2 3.81Å; Y255-F293 AromaticContact CE2-CG 4Å; Y255-F293 HydrophobicContact CE2-CG 4Å; Y255-F293 HydrophobicContact CE2-CZ 4.16Å; Y255-F293 HydrophobicContact CG-CB 4.42Å; Y255-F293 AromaticContact CG-CD1 3.56Å; Y255-F293 HydrophobicContact CG-CD1 3.56Å; Y255-F293 HydrophobicContact CG-CD2 4.38Å; Y255-F293 AromaticContact CG-CE1 3.86Å; Y255-F293 HydrophobicContact CG-CE1 3.86Å; Y255-F293 AromaticContact CG-CG 3.85Å; Y255-F293 HydrophobicContact CG-CG 3.85Å; Y255-F293 HydrophobicContact CG-CZ 4.41Å; Y255-I295 HydrophobicContact CD1-CD1 4.38Å; Y255-I295 HydrophobicContact CD1-CG1 4.46Å; Y255-I295 HydrophobicContact CE1-CD1 3.86Å; Y255-I295 HydrophobicContact CE1-CG1 4.36Å
256E98.8Very high98.4Very high110 Ų11053.3 Ų53.351%0.51424%0.244SC..EExtended strand (participates in β ladder)trans-146.4134.2173.9-171.4172.398.800110.7V251 V264 T265V251-E256 HydrophobicContact CB-CB 3.89Å; V251-E256 HydrophobicContact CG1-CB 3.66Å; V251-E256 HydrophobicContact CG2-CB 4.34Å; E256-V264 WeakPolarHBondContact O-CA 3.19Å; E256-T265 PolarHBondContact N-O 3.11Å; E256-T265 PolarHBondContact O-N 3.45Å
257F98.8Very high98.4Very high70 Ų7053.4 Ų53.431%0.30724%0.244SC..EExtended strand (participates in β ladder)trans-89.2143.1175.3-79-67.7000111.9Y255 R261 L263 V264 F293Y255-F257 HydrophobicContact CD2-CD2 4.43Å; Y255-F257 HydrophobicContact CD2-CE2 4.3Å; Y255-F257 HydrophobicContact CE2-CD2 4.12Å; Y255-F257 AromaticContact CE2-CE2 3.94Å; Y255-F257 HydrophobicContact CE2-CE2 3.94Å; F257-R261 HydrophobicContact CB-CB 4.48Å; F257-R261 HydrophobicContact CB-CG 4.07Å; F257-R261 HydrophobicContact CD1-CB 3.65Å; F257-R261 HydrophobicContact CD1-CG 3.92Å; F257-R261 HydrophobicContact CD2-CG 4.09Å; F257-R261 HydrophobicContact CE1-CB 3.92Å; F257-R261 HydrophobicContact CE1-CG 4.32Å; F257-R261 HydrophobicContact CE2-CG 4.48Å; F257-R261 HydrophobicContact CG-CB 4.05Å; F257-R261 HydrophobicContact CG-CG 3.78Å; F257-L263 WeakPolarHBondContact CA-O 3.31Å; F257-V264 HydrophobicContact CD1-CB 3.85Å; F257-V264 HydrophobicContact CD1-CG2 4.12Å; F257-V264 HydrophobicContact CE1-CB 3.85Å; F257-V264 HydrophobicContact CE1-CG2 4.1Å; F257-F293 HydrophobicContact CE1-CZ 4.27Å; F257-F293 AromaticContact CE2-CE2 3.77Å; F257-F293 HydrophobicContact CE2-CE2 3.77Å; F257-F293 AromaticContact CE2-CZ 4Å; F257-F293 HydrophobicContact CE2-CZ 4Å; F257-F293 AromaticContact CZ-CE2 3.61Å; F257-F293 HydrophobicContact CZ-CE2 3.61Å; F257-F293 AromaticContact CZ-CZ 3.57Å; F257-F293 HydrophobicContact CZ-CZ 3.57Å
258F98.8Very high98.4Very high31 Ų3153.5 Ų53.514%0.13625%0.245CC..EExtended strand (participates in β ladder)trans-126163173.5178.9-104.8000110.7P209 K211 V232 K260 R261 Q262 L263P209-F258 HydrophobicContact CB-CD1 3.73Å; P209-F258 HydrophobicContact CB-CD2 4.27Å; P209-F258 HydrophobicContact CB-CE1 3.79Å; P209-F258 HydrophobicContact CB-CE2 4.32Å; P209-F258 HydrophobicContact CB-CG 3.97Å; P209-F258 HydrophobicContact CB-CZ 4.09Å; K211-F258 HydrophobicContact CB-CE2 4.02Å; V232-F258 HydrophobicContact CG2-CD1 4.13Å; V232-F258 HydrophobicContact CG2-CE1 3.9Å; F258-K260 PolarHBondContact O-N 3.27Å; F258-R261 WeakPolarHBondContact O-CA 3.12Å; F258-R261 PolarHBondContact O-N 3.03Å; F258-Q262 PolarHBondContact O-N 3.46Å; F258-L263 HydrophobicContact CB-CB 4.18Å; F258-L263 HydrophobicContact CB-CD2 3.84Å; F258-L263 HydrophobicContact CD1-CB 4.17Å; F258-L263 HydrophobicContact CD1-CD1 4.5Å; F258-L263 HydrophobicContact CD1-CD2 4.49Å; F258-L263 PolarHBondContact N-O 3.1Å; F258-L263 PolarHBondContact O-N 3.4Å
259A98.2Very high98.3Very high14 Ų1453 Ų5312%0.11624%0.243CC..G310 helixtrans47.554.9174.100000114V232 R261 Q262V232-A259 HydrophobicContact CB-CB 4.13Å; V232-A259 HydrophobicContact CG1-CB 3.99Å; V232-A259 HydrophobicContact CG2-CB 4.49Å; A259-R261 VanDerWaalsContact C-N 3.28Å; A259-R261 PolarHBondContact O-N 2.92Å; A259-Q262 HydrophobicContact CB-CB 4.22Å; A259-Q262 WeakPolarHBondContact O-CB 3.42Å; A259-Q262 VanDerWaalsContact O-CG 3.26Å; A259-Q262 WeakPolarHBondContact O-CG 3.41Å; A259-Q262 PolarHBondContact O-N 3.36Å; A259-Q262 VanDerWaalsContact O-N 3.11Å; A259-Q262 PolarHBondContact O-OE1 2.82Å
260K98.1Very high98.2Very high207 Ų20750.4 Ų50.490%0.923%0.231SC*.G310 helixtrans54.941-178.2-56178.4-179.1175.70113.4F258 Q262F258-K260 PolarHBondContact O-N 3.27Å; K260-Q262 VanDerWaalsContact C-N 3.27Å; K260-Q262 PolarHBondContact O-N 3.15Å
261R98.3Very high98.1Very high182 Ų18250.1 Ų50.169%0.68723%0.228SC*.G310 helixtrans70.215-178.8-50.1-177.5173.3-179.8-3.7115.2L243 F257 F258 A259 L263L243-R261 WeakPolarHBondContact CD1-O 3.11Å; F257-R261 HydrophobicContact CB-CB 4.48Å; F257-R261 HydrophobicContact CB-CG 4.07Å; F257-R261 HydrophobicContact CD1-CB 3.65Å; F257-R261 HydrophobicContact CD1-CG 3.92Å; F257-R261 HydrophobicContact CD2-CG 4.09Å; F257-R261 HydrophobicContact CE1-CB 3.92Å; F257-R261 HydrophobicContact CE1-CG 4.32Å; F257-R261 HydrophobicContact CE2-CG 4.48Å; F257-R261 HydrophobicContact CG-CB 4.05Å; F257-R261 HydrophobicContact CG-CG 3.78Å; F258-R261 WeakPolarHBondContact O-CA 3.12Å; F258-R261 PolarHBondContact O-N 3.03Å; A259-R261 VanDerWaalsContact C-N 3.28Å; A259-R261 PolarHBondContact O-N 2.92Å; R261-L263 VanDerWaalsContact C-N 3.29Å
262Q98.8Very high97.9Very high64 Ų6450.7 Ų50.730%0.29923%0.229SC..THydrogen-bonded Turntrans-79-14.4173.2-69.9-171-69.200113.1V232 L236 L243 I244 F258 A259 K260V232-Q262 HydrophobicContact CG1-CB 3.72Å; L236-Q262 HydrophobicContact CD1-CB 3.53Å; L236-Q262 HydrophobicContact CD1-CG 3.99Å; L243-Q262 WeakPolarHBondContact CA-O 3.45Å; I244-Q262 PolarHBondContact N-O 3.24Å; F258-Q262 PolarHBondContact O-N 3.46Å; A259-Q262 HydrophobicContact CB-CB 4.22Å; A259-Q262 WeakPolarHBondContact O-CB 3.42Å; A259-Q262 VanDerWaalsContact O-CG 3.26Å; A259-Q262 WeakPolarHBondContact O-CG 3.41Å; A259-Q262 PolarHBondContact O-N 3.36Å; A259-Q262 VanDerWaalsContact O-N 3.11Å; A259-Q262 PolarHBondContact O-OE1 2.82Å; K260-Q262 VanDerWaalsContact C-N 3.27Å; K260-Q262 PolarHBondContact O-N 3.15Å
263L98.9Very high97.3Very high0 Ų045.8 Ų45.80%021%0.211CC..EExtended strand (participates in β ladder)trans-133.9142.1170.2-179.6154.1000109.4P209 F227 V232 I244 R246 F257 F258 R261P209-L263 HydrophobicContact CB-CD1 4.35Å; P209-L263 HydrophobicContact CB-CD2 4.45Å; P209-L263 HydrophobicContact CG-CD2 4.06Å; F227-L263 HydrophobicContact CE2-CD1 3.75Å; F227-L263 HydrophobicContact CZ-CD1 4Å; V232-L263 HydrophobicContact CG1-CB 4.27Å; V232-L263 HydrophobicContact CG2-CD1 4.1Å; I244-L263 HydrophobicContact CB-CB 4.13Å; I244-L263 HydrophobicContact CB-CD1 4Å; I244-L263 HydrophobicContact CB-CG 3.95Å; I244-L263 HydrophobicContact CD1-CD1 4.26Å; I244-L263 HydrophobicContact CG2-CD1 3.78Å; I244-L263 HydrophobicContact CG2-CG 4Å; I244-L263 CarbonylContact O-C 3.5Å; I244-L263 VanDerWaalsContact O-CA 3.26Å; I244-L263 WeakPolarHBondContact O-CA 3.17Å; R246-L263 HydrophobicContact CG-CD1 4.36Å; R246-L263 HydrophobicContact CG-CD2 4.02Å; R246-L263 HydrophobicContact CG-CG 4.32Å; F257-L263 WeakPolarHBondContact CA-O 3.31Å; F258-L263 HydrophobicContact CB-CB 4.18Å; F258-L263 HydrophobicContact CB-CD2 3.84Å; F258-L263 HydrophobicContact CD1-CB 4.17Å; F258-L263 HydrophobicContact CD1-CD1 4.5Å; F258-L263 HydrophobicContact CD1-CD2 4.49Å; F258-L263 PolarHBondContact N-O 3.1Å; F258-L263 PolarHBondContact O-N 3.4Å; R261-L263 VanDerWaalsContact C-N 3.29Å
264V98.9Very high96.7Very high0 Ų043.7 Ų43.70%021%0.21CC..EExtended strand (participates in β ladder)trans-125.813217065.40000110.4L243 I244 C245 R246 Y255 E256 F257 L266 M283 F293L243-V264 HydrophobicContact CD1-CB 4.44Å; L243-V264 HydrophobicContact CD1-CG1 4.13Å; L243-V264 HydrophobicContact CD2-CG1 4.14Å; L243-V264 HydrophobicContact CG-CG1 4.4Å; I244-V264 PolarHBondContact O-N 2.88Å; C245-V264 HydrophobicContact CB-CG1 4.04Å; R246-V264 PolarHBondContact N-O 3.5Å; Y255-V264 HydrophobicContact CD2-CG2 4.4Å; E256-V264 WeakPolarHBondContact O-CA 3.19Å; F257-V264 HydrophobicContact CD1-CB 3.85Å; F257-V264 HydrophobicContact CD1-CG2 4.12Å; F257-V264 HydrophobicContact CE1-CB 3.85Å; F257-V264 HydrophobicContact CE1-CG2 4.1Å; V264-L266 HydrophobicContact CG2-CD2 4.28Å; V264-M283 HydrophobicContact CG1-CE 4.37Å; V264-M283 HydrophobicContact CG1-SD 4.03Å; V264-F293 HydrophobicContact CG2-CE1 3.85Å; V264-F293 HydrophobicContact CG2-CZ 3.93Å
265T98.9Very high96Very high4 Ų451.4 Ų51.43%0.02525%0.246CC..EExtended strand (participates in β ladder)trans-93.9130.8168.4-63.80000108.5R246 A247 Q249 V251 Y255 E256R246-T265 VanDerWaalsContact CD-OG1 3.26Å; R246-T265 WeakPolarHBondContact CD-OG1 3.34Å; R246-T265 CarbonylContact O-C 3.28Å; R246-T265 WeakPolarHBondContact O-CA 3.43Å; A247-T265 WeakPolarHBondContact O-CG2 3.39Å; Q249-T265 HydrophobicContact CB-CG2 4.22Å; V251-T265 HydrophobicContact CG1-CG2 3.79Å; V251-T265 HydrophobicContact CG2-CG2 4.34Å; Y255-T265 CarbonylContact C-O 3.44Å; Y255-T265 WeakPolarHBondContact CA-O 3.46Å; E256-T265 PolarHBondContact N-O 3.11Å; E256-T265 PolarHBondContact O-N 3.45Å
266L98.9Very high95.5Very high0 Ų052.9 Ų52.90%025%0.254CS..EExtended strand (participates in β ladder)trans-115.4134.8174-65.4-177.9000110.5I61 L90 C245 R246 A247 V264 M283 F293I61-L266 HydrophobicContact CB-CD1 4.08Å; I61-L266 HydrophobicContact CG2-CD1 3.95Å; I61-L266 WeakPolarHBondContact O-CD1 3.39Å; L90-L266 HydrophobicContact CD1-CB 4.45Å; L90-L266 HydrophobicContact CD1-CD1 4.32Å; C245-L266 VanDerWaalsContact SG-CD1 3.54Å; R246-L266 PolarHBondContact O-N 3.37Å; A247-L266 WeakPolarHBondContact CA-O 3.43Å; A247-L266 VanDerWaalsContact CB-O 3.32Å; A247-L266 WeakPolarHBondContact CB-O 3.36Å; V264-L266 HydrophobicContact CG2-CD2 4.28Å; L266-M283 HydrophobicContact CD1-CB 3.79Å; L266-M283 HydrophobicContact CD2-CB 4.17Å; L266-F293 HydrophobicContact CD2-CD1 4.08Å; L266-F293 HydrophobicContact CD2-CE1 3.85Å
267F98.8Very high95.2Very high2 Ų254.4 Ų54.41%0.00927%0.266CS..BIsolated β-bridgetrans-134.2123.5172.3-161.2-90.6000108.4D64 Q249 V250 V251 G254 A269 Y272 G280 A281D64-F267 HydrophobicContact CB-CD2 3.85Å; D64-F267 HydrophobicContact CB-CE2 3.52Å; D64-F267 HydrophobicContact CB-CZ 3.97Å; D64-F267 WeakPolarHBondContact OD2-CE2 3.36Å; Q249-F267 WeakPolarHBondContact O-CD2 3.47Å; V250-F267 HydrophobicContact CG2-CD2 4.3Å; V250-F267 HydrophobicContact CG2-CE1 4.04Å; V250-F267 HydrophobicContact CG2-CE2 3.76Å; V250-F267 HydrophobicContact CG2-CZ 3.63Å; V251-F267 HydrophobicContact CG2-CB 4.13Å; G254-F267 WeakPolarHBondContact CA-O 3.3Å; G254-F267 PolarHBondContact O-N 3.47Å; G254-F267 VanDerWaalsContact O-O 3.13Å; F267-A269 HydrophobicContact CD1-CB 4.31Å; F267-A269 HydrophobicContact CE1-CB 3.65Å; F267-A269 VanDerWaalsContact CE1-O 3.26Å; F267-A269 WeakPolarHBondContact CE1-O 3.5Å; F267-A269 HydrophobicContact CZ-CB 4.29Å; F267-Y272 AromaticContact CE1-CD2 3.86Å; F267-Y272 HydrophobicContact CE1-CD2 3.86Å; F267-Y272 AromaticContact CE1-CG 3.82Å; F267-Y272 HydrophobicContact CE1-CG 3.82Å; F267-Y272 HydrophobicContact CZ-CD1 4.09Å; F267-Y272 AromaticContact CZ-CD2 3.64Å; F267-Y272 HydrophobicContact CZ-CD2 3.64Å; F267-Y272 HydrophobicContact CZ-CE1 4.32Å; F267-Y272 AromaticContact CZ-CE2 3.91Å; F267-Y272 HydrophobicContact CZ-CE2 3.91Å; F267-Y272 AromaticContact CZ-CG 3.71Å; F267-Y272 HydrophobicContact CZ-CG 3.71Å; F267-G280 CarbonylContact O-C 3.56Å; F267-G280 WeakPolarHBondContact O-CA 3.3Å; F267-A281 PolarHBondContact O-N 2.83Å
268S98.7Very high95.2Very high2 Ų251.3 Ų51.31%0.01425%0.252CS..  trans-108-0.8-168.2-62.50000114.1G63 D64 P270 A281G63-S268 PolarHBondContact N-OG 3.4Å; D64-S268 CarbonylContact O-C 3.59Å; D64-S268 VanDerWaalsContact O-C 3.28Å; D64-S268 WeakPolarHBondContact O-CA 3.36Å; D64-S268 WeakPolarHBondContact O-CB 3.38Å; D64-S268 PolarHBondContact O-N 2.89Å; D64-S268 VanDerWaalsContact O-N 3.16Å; S268-P270 WeakPolarHBondContact O-CD 3.5Å; S268-A281 PolarHBondContact OG-O 3Å
269A97.8Very high95.1Very high1 Ų150.1 Ų50.11%0.00825%0.249CC..  trans-97.498.6176.100000111.3D64 Q68 F267 Y272 N278D64-A269 PolarHBondContact O-N 3.5Å; Q68-A269 HydrophobicContact CG-CB 4.46Å; F267-A269 HydrophobicContact CD1-CB 4.31Å; F267-A269 HydrophobicContact CE1-CB 3.65Å; F267-A269 VanDerWaalsContact CE1-O 3.26Å; F267-A269 WeakPolarHBondContact CE1-O 3.5Å; F267-A269 HydrophobicContact CZ-CB 4.29Å; A269-Y272 HydrophobicContact CB-CD2 4.16Å; A269-N278 PolarHBondContact O-ND2 3.37Å
270P96.8Very high95.1Very high3 Ų349.5 Ų49.52%0.01924%0.244CC..SBendtrans-68.6149.3178.628.9-35.8000112.1Q68 D71 S268 Y272 N278 L296 P298Q68-P270 PolarHBondContact NE2-O 3.39Å; D71-P270 HydrophobicContact CB-CG 4.01Å; S268-P270 WeakPolarHBondContact O-CD 3.5Å; P270-Y272 VanDerWaalsContact C-N 3.27Å; P270-Y272 PolarHBondContact O-N 2.97Å; P270-N278 WeakPolarHBondContact CA-O 3.38Å; P270-L296 HydrophobicContact CG-CD2 4.06Å; P270-L296 HydrophobicContact CG-CG 4.39Å; P270-P298 HydrophobicContact CB-CG 4.35Å
271N95Very high95.1Very high43 Ų4339.8 Ų39.823%0.2320%0.202CC..SBendtrans46.754.5-178.1165.483.9000110.5C273 G274 F276 N278 P298N271-C273 PolarHBondContact O-N 3.31Å; N271-G274 WeakPolarHBondContact O-CA 3.37Å; N271-G274 PolarHBondContact O-N 2.96Å; N271-F276 CarbonylContact C-O 3.59Å; N271-F276 WeakPolarHBondContact CA-O 3.47Å; N271-F276 PolarHBondContact OD1-O 3.36Å; N271-N278 PolarHBondContact N-O 3.05Å; N271-N278 PolarHBondContact N-OD1 3.2Å; N271-P298 HydrophobicContact CB-CB 3.85Å; N271-P298 HydrophobicContact CB-CG 3.92Å
272Y93.1Very high95.1Very high23 Ų2331.4 Ų31.49%0.0917%0.17CC..G310 helixtrans-53.9131.3-169.2-179.3-122.6000111.5H66 R96 V250 F267 A269 P270 G274 E275 F276 N278H66-Y272 HydrophobicContact CB-CE2 3.74Å; H66-Y272 AromaticContact CD2-CE2 3.22Å; H66-Y272 WeakPolarHBondContact CD2-CE2 3.26Å; H66-Y272 AromaticContact CD2-CZ 3.52Å; H66-Y272 PolarHBondContact CD2-OH 3.48Å; H66-Y272 AromaticContact CG-CE2 3.69Å; H66-Y272 AromaticContact NE2-CE2 3.99Å; H66-Y272 AromaticContact NE2-CZ 3.8Å; H66-Y272 PolarHBondContact NE2-OH 2.93Å; R96-Y272 HydrophobicContact CB-CE2 4.41Å; R96-Y272 WeakPolarHBondContact CG-OH 3.48Å; V250-Y272 HydrophobicContact CG2-CD1 3.54Å; V250-Y272 HydrophobicContact CG2-CE1 4.04Å; V250-Y272 HydrophobicContact CG2-CG 4.16Å; F267-Y272 AromaticContact CE1-CD2 3.86Å; F267-Y272 HydrophobicContact CE1-CD2 3.86Å; F267-Y272 AromaticContact CE1-CG 3.82Å; F267-Y272 HydrophobicContact CE1-CG 3.82Å; F267-Y272 HydrophobicContact CZ-CD1 4.09Å; F267-Y272 AromaticContact CZ-CD2 3.64Å; F267-Y272 HydrophobicContact CZ-CD2 3.64Å; F267-Y272 HydrophobicContact CZ-CE1 4.32Å; F267-Y272 AromaticContact CZ-CE2 3.91Å; F267-Y272 HydrophobicContact CZ-CE2 3.91Å; F267-Y272 AromaticContact CZ-CG 3.71Å; F267-Y272 HydrophobicContact CZ-CG 3.71Å; A269-Y272 HydrophobicContact CB-CD2 4.16Å; P270-Y272 VanDerWaalsContact C-N 3.27Å; P270-Y272 PolarHBondContact O-N 2.97Å; Y272-G274 PolarHBondContact O-N 3.48Å; Y272-E275 PolarHBondContact O-N 3.13Å; Y272-F276 AromaticContact CD1-CD2 3.82Å; Y272-F276 HydrophobicContact CD1-CD2 3.82Å; Y272-F276 AromaticContact CD1-CE2 3.95Å; Y272-F276 HydrophobicContact CD1-CE2 3.95Å; Y272-F276 HydrophobicContact CG-CD2 4.46Å; Y272-F276 WeakPolarHBondContact O-CD2 3.44Å; Y272-F276 PolarHBondContact O-N 2.76Å; Y272-N278 WeakPolarHBondContact CB-OD1 3.44Å; Y272-N278 PolarHBondContact N-OD1 3.49Å
273C84.9Confident95.1Very high50 Ų5028.3 Ų28.334%0.33816%0.156SC..G310 helixtrans55.64.3-175.1-64.20000115.5N271 E275N271-C273 PolarHBondContact O-N 3.31Å; C273-E275 HydrophobicContact CB-CG 4.33Å
274G84.3Confident95.1Very high44 Ų4429.1 Ų29.145%0.45416%0.162SC..G310 helixtrans72.112.1-169.100000114.9N271 Y272N271-G274 WeakPolarHBondContact O-CA 3.37Å; N271-G274 PolarHBondContact O-N 2.96Å; Y272-G274 PolarHBondContact O-N 3.48Å
275E83.3Confident95.1Very high163 Ų16329.3 Ų29.376%0.76216%0.163SC*.THydrogen-bonded Turntrans-110.9-32.2-175.4-65.2-179.5-178.200112Y272 C273Y272-E275 PolarHBondContact O-N 3.13Å; C273-E275 HydrophobicContact CB-CG 4.33Å
276F88.3Confident95.1Very high97 Ų9731.6 Ų31.643%0.42518%0.175SC..  trans-95.7153.3176.6-62.9-95.7000110.7V250 N271 Y272 N278V250-F276 HydrophobicContact CG1-CB 4.31Å; V250-F276 HydrophobicContact CG1-CD1 4.03Å; V250-F276 HydrophobicContact CG1-CG 4.15Å; N271-F276 CarbonylContact C-O 3.59Å; N271-F276 WeakPolarHBondContact CA-O 3.47Å; N271-F276 PolarHBondContact OD1-O 3.36Å; Y272-F276 AromaticContact CD1-CD2 3.82Å; Y272-F276 HydrophobicContact CD1-CD2 3.82Å; Y272-F276 AromaticContact CD1-CE2 3.95Å; Y272-F276 HydrophobicContact CD1-CE2 3.95Å; Y272-F276 HydrophobicContact CG-CD2 4.46Å; Y272-F276 WeakPolarHBondContact O-CD2 3.44Å; Y272-F276 PolarHBondContact O-N 2.76Å; F276-N278 VanDerWaalsContact CB-OD1 3.29Å; F276-N278 WeakPolarHBondContact CB-OD1 3.46Å
277D92.9Very high95Very high143 Ų14339.2 Ų39.277%0.76521%0.21SC*.  trans-102.626.2174.1-159.123.9000111.9
278N97.1Very high94.9Very high4 Ų444.5 Ų44.52%0.02124%0.243CC..PPolyproline II helixtrans-74150.5-17870.8-69.7000112.2V250 V251 E252 A269 P270 N271 Y272 F276 P298V250-N278 HydrophobicContact CG1-CB 3.77Å; V251-N278 WeakPolarHBondContact O-CB 3.42Å; E252-N278 CarbonylContact O-C 3.54Å; E252-N278 VanDerWaalsContact O-CA 3.29Å; E252-N278 WeakPolarHBondContact O-CA 3.25Å; A269-N278 PolarHBondContact O-ND2 3.37Å; P270-N278 WeakPolarHBondContact CA-O 3.38Å; N271-N278 PolarHBondContact N-O 3.05Å; N271-N278 PolarHBondContact N-OD1 3.2Å; Y272-N278 WeakPolarHBondContact CB-OD1 3.44Å; Y272-N278 PolarHBondContact N-OD1 3.49Å; F276-N278 VanDerWaalsContact CB-OD1 3.29Å; F276-N278 WeakPolarHBondContact CB-OD1 3.46Å; N278-P298 VanDerWaalsContact O-CG 3.32Å; N278-P298 WeakPolarHBondContact O-CG 3.37Å
279A97.3Very high94.7Very high7 Ų746.9 Ų46.96%0.05826%0.255CS..PPolyproline II helixtrans-79.1166.2160.800000111.3E252 G254 I295E252-A279 PolarHBondContact O-N 3.37Å; G254-A279 VanDerWaalsContact CA-O 3.25Å; G254-A279 WeakPolarHBondContact CA-O 3.23Å; G254-A279 PolarHBondContact N-O 2.72Å; A279-I295 HydrophobicContact CB-CG2 3.51Å
280G98.3Very high94.7Very high1 Ų152.4 Ų52.41%0.0128%0.282CS..EExtended strand (participates in β ladder)trans-99.4152162.200000109.5F267 I295 L296F267-G280 CarbonylContact O-C 3.56Å; F267-G280 WeakPolarHBondContact O-CA 3.3Å; G280-I295 CarbonylContact O-C 3.45Å; G280-I295 WeakPolarHBondContact O-CA 3.24Å; G280-L296 PolarHBondContact N-O 3.31Å; G280-L296 PolarHBondContact O-N 3.39Å
281A98.6Very high94.8Very high3 Ų354.3 Ų54.33%0.02530%0.295CS..EExtended strand (participates in β ladder)trans-135.3160.1170.400000112.3G254 Y255 F267 S268 Q294 I295G254-A281 VanDerWaalsContact C-CB 3.42Å; G254-A281 WeakPolarHBondContact O-CB 3.36Å; Y255-A281 HydrophobicContact CD1-CB 4.38Å; F267-A281 PolarHBondContact O-N 2.83Å; S268-A281 PolarHBondContact OG-O 3Å; A281-Q294 WeakPolarHBondContact CA-O 3.26Å; A281-I295 HydrophobicContact CB-CG1 4.48Å
282M98.6Very high95Very high5 Ų555 Ų553%0.02530%0.303CS..EExtended strand (participates in β ladder)trans-127145.7160.767.7177.991.800109.1K60 I61 L75 F293 Q294K60-M282 HydrophobicContact CB-SD 4.41Å; K60-M282 HydrophobicContact CD-SD 3.96Å; K60-M282 HydrophobicContact CG-SD 4.48Å; I61-M282 CarbonylContact O-C 3.49Å; I61-M282 WeakPolarHBondContact O-CA 3.43Å; L75-M282 HydrophobicContact CB-CE 4.34Å; L75-M282 HydrophobicContact CD1-CE 4.48Å; L75-M282 HydrophobicContact CD2-CE 3.48Å; L75-M282 VanDerWaalsContact CD2-CE 3.48Å; L75-M282 HydrophobicContact CD2-SD 4.25Å; L75-M282 HydrophobicContact CG-CE 3.44Å; L75-M282 VanDerWaalsContact CG-CE 3.44Å; L75-M282 VanDerWaalsContact O-CE 3.23Å; L75-M282 WeakPolarHBondContact O-CE 3.49Å; M282-F293 WeakPolarHBondContact O-CA 3.37Å; M282-Q294 HydrophobicContact CG-CB 3.75Å; M282-Q294 HydrophobicContact CG-CG 4.47Å; M282-Q294 PolarHBondContact N-O 3.35Å; M282-Q294 PolarHBondContact O-N 2.89Å; M282-Q294 HydrophobicContact SD-CB 4.39Å; M282-Q294 PolarHBondContact SD-OE1 3.41Å; M282-Q294 VanDerWaalsContact SD-OE1 3.35Å
283M98.8Very high95.2Very high0 Ų056.2 Ų56.20%031%0.309CS..EExtended strand (participates in β ladder)trans-97.9120.3173.8-173.1171.471.500109.4K60 I61 L243 C245 V264 L266 V285 C291 S292 F293K60-M283 CarbonylContact C-O 3.52Å; K60-M283 WeakPolarHBondContact CA-O 3.14Å; I61-M283 HydrophobicContact CD1-CE 3.77Å; I61-M283 HydrophobicContact CG1-CE 4.47Å; I61-M283 PolarHBondContact N-O 2.89Å; I61-M283 PolarHBondContact O-N 3.4Å; L243-M283 HydrophobicContact CD2-CE 4.18Å; L243-M283 HydrophobicContact CD2-SD 4.35Å; C245-M283 HydrophobicContact CB-CE 4.1Å; V264-M283 HydrophobicContact CG1-CE 4.37Å; V264-M283 HydrophobicContact CG1-SD 4.03Å; L266-M283 HydrophobicContact CD1-CB 3.79Å; L266-M283 HydrophobicContact CD2-CB 4.17Å; M283-V285 HydrophobicContact CE-CG2 3.91Å; M283-V285 HydrophobicContact CG-CG2 4.39Å; M283-C291 HydrophobicContact CG-CB 4.1Å; M283-C291 HydrophobicContact SD-CB 3.85Å; M283-S292 CarbonylContact C-O 3.51Å; M283-S292 WeakPolarHBondContact CA-O 3.34Å; M283-F293 HydrophobicContact CB-CD1 4.04Å; M283-F293 HydrophobicContact CB-CE1 3.86Å; M283-F293 HydrophobicContact CG-CD1 4.19Å; M283-F293 HydrophobicContact CG-CE1 3.74Å; M283-F293 HydrophobicContact CG-CZ 4.14Å; M283-F293 HydrophobicContact SD-CE1 3.76Å; M283-F293 HydrophobicContact SD-CZ 3.84Å
284S98.7Very high95.8Very high17 Ų1756 Ų5612%0.11930%0.303CS..EExtended strand (participates in β ladder)trans-90.4124.2168.9-60.50000109.1K60 C291 S292 Q294K60-S284 PolarHBondContact NZ-OG 3.3Å; S284-C291 WeakPolarHBondContact O-CA 3.45Å; S284-S292 PolarHBondContact N-O 3.11Å; S284-S292 PolarHBondContact O-N 2.97Å; S284-Q294 PolarHBondContact OG-OE1 3.13Å
285V98.7Very high96.5Very high3 Ų356.7 Ų56.72%0.01830%0.296CS..EExtended strand (participates in β ladder)trans-107.9120172.5-173.30000106.8A57 P58 L59 I61 I169 M283 L289A57-V285 HydrophobicContact CB-CG1 4.08Å; P58-V285 VanDerWaalsContact CA-O 3.25Å; P58-V285 WeakPolarHBondContact CA-O 3.32Å; L59-V285 HydrophobicContact CD2-CB 3.93Å; L59-V285 HydrophobicContact CD2-CG1 4.5Å; L59-V285 HydrophobicContact CD2-CG2 4.33Å; L59-V285 PolarHBondContact N-O 2.93Å; L59-V285 PolarHBondContact O-N 3.29Å; I61-V285 HydrophobicContact CD1-CG2 4.15Å; I61-V285 HydrophobicContact CG1-CG2 4.49Å; I169-V285 HydrophobicContact CD1-CG1 3.95Å; I169-V285 HydrophobicContact CD1-CG2 4.02Å; M283-V285 HydrophobicContact CE-CG2 3.91Å; M283-V285 HydrophobicContact CG-CG2 4.39Å; V285-L289 HydrophobicContact CG1-CD2 3.67Å
286D98Very high97Very high52 Ų5250 Ų5028%0.27827%0.265SS..  trans-89.1175.4175.773.916.9000112.4A57 T288 L289 M290A57-D286 VanDerWaalsContact CB-O 3.23Å; A57-D286 WeakPolarHBondContact CB-O 3.32Å; D286-T288 PolarHBondContact O-N 3.19Å; D286-T288 WeakPolarHBondContact OD1-CA 3.47Å; D286-T288 WeakPolarHBondContact OD1-CB 3.29Å; D286-T288 PolarHBondContact OD1-N 3.46Å; D286-T288 PolarHBondContact OD1-OG1 3.44Å; D286-L289 WeakPolarHBondContact O-CA 3.39Å; D286-L289 PolarHBondContact O-N 2.84Å; D286-L289 PolarHBondContact OD1-N 2.86Å; D286-M290 PolarHBondContact N-O 2.89Å; D286-M290 WeakPolarHBondContact OD1-CB 3.01Å; D286-M290 PolarHBondContact OD1-N 3.06Å; D286-M290 WeakPolarHBondContact OD2-CB 2.97Å; D286-M290 VanDerWaalsContact OD2-CE 3.23Å; D286-M290 WeakPolarHBondContact OD2-CE 3.27Å
287E96.7Very high97.1Very high161 Ų16152.7 Ų52.775%0.75228%0.277SS*.THydrogen-bonded Turntrans-58.3-15.8-179.5-65.4172.5-165.400114.1P58P58-E287 HydrophobicContact CB-CG 4.49Å; P58-E287 HydrophobicContact CG-CG 4.28Å
288T96.9Very high96.9Very high112 Ų11247.7 Ų47.769%0.68725%0.252SS*.THydrogen-bonded Turntrans-99.48.5176.769.90000112.9D286 M290D286-T288 PolarHBondContact O-N 3.19Å; D286-T288 WeakPolarHBondContact OD1-CA 3.47Å; D286-T288 WeakPolarHBondContact OD1-CB 3.29Å; D286-T288 PolarHBondContact OD1-N 3.46Å; D286-T288 PolarHBondContact OD1-OG1 3.44Å; T288-M290 PolarHBondContact O-N 3.39Å
289L95.7Very high95.8Very high52 Ų5250.7 Ų50.727%0.27228%0.278SS..  trans61.918.8-171.9-62.6176.5000114.5A57 D166 K168 I169 V285 D286 C291A57-L289 HydrophobicContact CB-CD2 4.38Å; D166-L289 HydrophobicContact CB-CD1 4.1Å; D166-L289 HydrophobicContact CB-CD2 3.88Å; D166-L289 HydrophobicContact CB-CG 4.37Å; D166-L289 WeakPolarHBondContact OD2-CD2 3.32Å; K168-L289 HydrophobicContact CB-CD1 3.83Å; K168-L289 HydrophobicContact CG-CD1 3.86Å; I169-L289 HydrophobicContact CD1-CD2 4.35Å; V285-L289 HydrophobicContact CG1-CD2 3.67Å; D286-L289 WeakPolarHBondContact O-CA 3.39Å; D286-L289 PolarHBondContact O-N 2.84Å; D286-L289 PolarHBondContact OD1-N 2.86Å; L289-C291 PolarHBondContact O-N 3.33Å
290M97.8Very high94.4Very high117 Ų11759.4 Ų59.458%0.57632%0.317SS*.  trans-71117.6171.6-172.5178.157.100109.1D286 T288D286-M290 PolarHBondContact N-O 2.89Å; D286-M290 WeakPolarHBondContact OD1-CB 3.01Å; D286-M290 PolarHBondContact OD1-N 3.06Å; D286-M290 WeakPolarHBondContact OD2-CB 2.97Å; D286-M290 VanDerWaalsContact OD2-CE 3.23Å; D286-M290 WeakPolarHBondContact OD2-CE 3.27Å; T288-M290 PolarHBondContact O-N 3.39Å
291C98.5Very high92.6Very high43 Ų4367.2 Ų67.229%0.29135%0.351SS..EExtended strand (participates in β ladder)trans-91.3125.2178.1-63.70000110.7M283 S284 L289M283-C291 HydrophobicContact CG-CB 4.1Å; M283-C291 HydrophobicContact SD-CB 3.85Å; S284-C291 WeakPolarHBondContact O-CA 3.45Å; L289-C291 PolarHBondContact O-N 3.33Å
292S98.3Very high90.3Very high58 Ų5876.9 Ų76.941%0.40639%0.392SS..EExtended strand (participates in β ladder)trans-129.4154.8173.662.10000111M283 S284M283-S292 CarbonylContact C-O 3.51Å; M283-S292 WeakPolarHBondContact CA-O 3.34Å; S284-S292 PolarHBondContact N-O 3.11Å; S284-S292 PolarHBondContact O-N 2.97Å
293F98.4Very high87.4Confident48 Ų4885.4 Ų85.421%0.21143%0.429CS..EExtended strand (participates in β ladder)trans-115.3128.9-174.5-59.2-86.8000111.3Y255 F257 V264 L266 M282 M283Y255-F293 HydrophobicContact CD1-CB 4.17Å; Y255-F293 HydrophobicContact CD1-CD1 4.14Å; Y255-F293 HydrophobicContact CD1-CG 4.09Å; Y255-F293 AromaticContact CD2-CD1 3.68Å; Y255-F293 HydrophobicContact CD2-CD1 3.68Å; Y255-F293 AromaticContact CD2-CD2 3.88Å; Y255-F293 HydrophobicContact CD2-CD2 3.88Å; Y255-F293 AromaticContact CD2-CE1 3.61Å; Y255-F293 HydrophobicContact CD2-CE1 3.61Å; Y255-F293 AromaticContact CD2-CE2 3.83Å; Y255-F293 HydrophobicContact CD2-CE2 3.83Å; Y255-F293 AromaticContact CD2-CG 3.81Å; Y255-F293 HydrophobicContact CD2-CG 3.81Å; Y255-F293 AromaticContact CD2-CZ 3.7Å; Y255-F293 HydrophobicContact CD2-CZ 3.7Å; Y255-F293 HydrophobicContact CE1-CB 4.24Å; Y255-F293 HydrophobicContact CE1-CG 4.29Å; Y255-F293 HydrophobicContact CE2-CD1 4.34Å; Y255-F293 AromaticContact CE2-CD2 3.71Å; Y255-F293 HydrophobicContact CE2-CD2 3.71Å; Y255-F293 HydrophobicContact CE2-CE1 4.4Å; Y255-F293 AromaticContact CE2-CE2 3.81Å; Y255-F293 HydrophobicContact CE2-CE2 3.81Å; Y255-F293 AromaticContact CE2-CG 4Å; Y255-F293 HydrophobicContact CE2-CG 4Å; Y255-F293 HydrophobicContact CE2-CZ 4.16Å; Y255-F293 HydrophobicContact CG-CB 4.42Å; Y255-F293 AromaticContact CG-CD1 3.56Å; Y255-F293 HydrophobicContact CG-CD1 3.56Å; Y255-F293 HydrophobicContact CG-CD2 4.38Å; Y255-F293 AromaticContact CG-CE1 3.86Å; Y255-F293 HydrophobicContact CG-CE1 3.86Å; Y255-F293 AromaticContact CG-CG 3.85Å; Y255-F293 HydrophobicContact CG-CG 3.85Å; Y255-F293 HydrophobicContact CG-CZ 4.41Å; F257-F293 HydrophobicContact CE1-CZ 4.27Å; F257-F293 AromaticContact CE2-CE2 3.77Å; F257-F293 HydrophobicContact CE2-CE2 3.77Å; F257-F293 AromaticContact CE2-CZ 4Å; F257-F293 HydrophobicContact CE2-CZ 4Å; F257-F293 AromaticContact CZ-CE2 3.61Å; F257-F293 HydrophobicContact CZ-CE2 3.61Å; F257-F293 AromaticContact CZ-CZ 3.57Å; F257-F293 HydrophobicContact CZ-CZ 3.57Å; V264-F293 HydrophobicContact CG2-CE1 3.85Å; V264-F293 HydrophobicContact CG2-CZ 3.93Å; L266-F293 HydrophobicContact CD2-CD1 4.08Å; L266-F293 HydrophobicContact CD2-CE1 3.85Å; M282-F293 WeakPolarHBondContact O-CA 3.37Å; M283-F293 HydrophobicContact CB-CD1 4.04Å; M283-F293 HydrophobicContact CB-CE1 3.86Å; M283-F293 HydrophobicContact CG-CD1 4.19Å; M283-F293 HydrophobicContact CG-CE1 3.74Å; M283-F293 HydrophobicContact CG-CZ 4.14Å; M283-F293 HydrophobicContact SD-CE1 3.76Å; M283-F293 HydrophobicContact SD-CZ 3.84Å
294Q97.7Very high84.8Confident45 Ų4591.2 Ų91.221%0.2147%0.467CS..EExtended strand (participates in β ladder)trans-103.9114.2170-64.1-179.7-83.100108.5Y78 A281 M282 S284Y78-Q294 HydrophobicContact CD1-CB 3.93Å; Y78-Q294 HydrophobicContact CE1-CB 3.85Å; Y78-Q294 HydrophobicContact CE1-CG 4.41Å; Y78-Q294 PolarHBondContact O-NE2 3.47Å; Y78-Q294 VanDerWaalsContact O-NE2 3.09Å; A281-Q294 WeakPolarHBondContact CA-O 3.26Å; M282-Q294 HydrophobicContact CG-CB 3.75Å; M282-Q294 HydrophobicContact CG-CG 4.47Å; M282-Q294 PolarHBondContact N-O 3.35Å; M282-Q294 PolarHBondContact O-N 2.89Å; M282-Q294 HydrophobicContact SD-CB 4.39Å; M282-Q294 PolarHBondContact SD-OE1 3.41Å; M282-Q294 VanDerWaalsContact SD-OE1 3.35Å; S284-Q294 PolarHBondContact OG-OE1 3.13Å
295I97.4Very high82.2Confident60 Ų6098 Ų9831%0.30850%0.502SS..EExtended strand (participates in β ladder)trans-99.1122.9-173.7-55.5171.2000110.2Y255 A279 G280 A281 K297Y255-I295 HydrophobicContact CD1-CD1 4.38Å; Y255-I295 HydrophobicContact CD1-CG1 4.46Å; Y255-I295 HydrophobicContact CE1-CD1 3.86Å; Y255-I295 HydrophobicContact CE1-CG1 4.36Å; A279-I295 HydrophobicContact CB-CG2 3.51Å; G280-I295 CarbonylContact O-C 3.45Å; G280-I295 WeakPolarHBondContact O-CA 3.24Å; A281-I295 HydrophobicContact CB-CG1 4.48Å; I295-K297 HydrophobicContact CG2-CG 4.41Å
296L93.4Very high79.7Confident22 Ų22101.4 Ų101.412%0.11554%0.538CS..EExtended strand (participates in β ladder)trans-94.898171.7-172.267.5000109.8D71 R74 P270 G280D71-L296 HydrophobicContact CB-CD2 4.34Å; R74-L296 HydrophobicContact CB-CD1 4.13Å; R74-L296 HydrophobicContact CB-CD2 4.02Å; P270-L296 HydrophobicContact CG-CD2 4.06Å; P270-L296 HydrophobicContact CG-CG 4.39Å; G280-L296 PolarHBondContact N-O 3.31Å; G280-L296 PolarHBondContact O-N 3.39Å
297K91.9Very high77.2Confident154 Ų154104 Ų10467%0.6756%0.56SS**PPolyproline II helixtrans-67.6151.1174.4-66.7-170.4177.1-171.30111.7R74 I295 A299R74-K297 PolarHBondContact NH2-O 2.75Å; I295-K297 HydrophobicContact CG2-CG 4.41Å; K297-A299 PolarHBondContact O-N 3.08Å
298P87.3Confident74.9Confident38 Ų38107 Ų10725%0.24757%0.565CS.*PPolyproline II helixtrans-49.7139.6172.8-27.936.2000111.5P270 N271 N278 E300P270-P298 HydrophobicContact CB-CG 4.35Å; N271-P298 HydrophobicContact CB-CB 3.85Å; N271-P298 HydrophobicContact CB-CG 3.92Å; N278-P298 VanDerWaalsContact O-CG 3.32Å; N278-P298 WeakPolarHBondContact O-CG 3.37Å; P298-E300 PolarHBondContact O-N 3.2Å
299A75.7Confident72.3Confident67 Ų67107.4 Ų107.455%0.55457%0.569SS**PPolyproline II helixtrans-64.1132.5173.800000109.3K297 K301K297-A299 PolarHBondContact O-N 3.08Å; A299-K301 PolarHBondContact O-N 3.31Å; A299-K301 VanDerWaalsContact O-N 3.12Å
300E67.5Low69.9Low189 Ų189111.3 Ų111.388%0.88360%0.595SS**PPolyproline II helixtrans-55.8121.8177.2-69-171.3170.200110.2P298 K302P298-E300 PolarHBondContact O-N 3.2Å; E300-K302 PolarHBondContact O-N 3.04Å
301K59.5Low67.6Low166 Ų166111.7 Ų111.772%0.72260%0.604SS**  trans-62.9106168.1-71.3176.9-176.6165.70106.5A299 K303A299-K301 PolarHBondContact O-N 3.31Å; A299-K301 VanDerWaalsContact O-N 3.12Å; K301-K303 PolarHBondContact O-N 2.97Å
302K50.1Low64.9Low205 Ų205114.7 Ų114.789%0.89162%0.623SS**  trans-50.9110.5166.6-81.2-171.8177.8-179.10106.8E300 P304E300-K302 PolarHBondContact O-N 3.04Å; K302-P304 VanDerWaalsContact O-N 3.17Å
303K38.6Very low62.2Low184 Ų184118.1 Ų118.180%0.864%0.643SS**  trans-51.3126.7172.3-76.4-178.2178.31750106.2K301 N305K301-K303 PolarHBondContact O-N 2.97Å; K303-N305 PolarHBondContact O-N 3.23Å
304P44.7Very low59.6Low123 Ų123126.9 Ų126.980%0.79968%0.675SS**  trans-55.2124.2170.922.1-29.4000106.3K302 G306K302-P304 VanDerWaalsContact O-N 3.17Å; P304-G306 PolarHBondContact O-N 2.91Å
305N42.6Very low56.9Low158 Ų158131 Ų13185%0.84570%0.699SS**  trans-47107.8177.2-88.9-12.2000107.9K303 S307K303-N305 PolarHBondContact O-N 3.23Å; N305-S307 PolarHBondContact O-N 3.04Å
306G46.5Very low54.1Low75 Ų75136.9 Ų136.977%0.77373%0.727SS**  trans-75.660.9-177.300000110.6P304 R308P304-G306 PolarHBondContact O-N 2.91Å; G306-R308 PolarHBondContact O-N 3.41Å; G306-R308 VanDerWaalsContact O-N 3.13Å
307S46.5Very low52Low108 Ų108142.1 Ų142.176%0.75576%0.759SS**  trans-8268.6158.462.30000107.9N305N305-S307 PolarHBondContact O-N 3.04Å
308R47.5Very low49.5Very low224 Ų224140.6 Ų140.685%0.84576%0.764SS**PPolyproline II helixtrans-71.7125.3158.9-77.5-175.9174.1178.5-1.5106.2G306 V310G306-R308 PolarHBondContact O-N 3.41Å; G306-R308 VanDerWaalsContact O-N 3.13Å; R308-V310 PolarHBondContact O-N 3.42Å
309P42.7Very low47.6Very low119 Ų119148.4 Ų148.477%0.77379%0.793SS**PPolyproline II helixtrans-58.5127.4172.522-28.6000108.4T311P309-T311 PolarHBondContact O-N 2.85Å; P309-T311 VanDerWaalsContact O-N 3.12Å
310V46Very low45.9Very low134 Ų134154.5 Ų154.581%0.81281%0.81SS**PPolyproline II helixtrans-56.9117.4178.7179.30000107.9R308R308-V310 PolarHBondContact O-N 3.42Å
311T48Very low44.7Very low125 Ų125149.9 Ų149.977%0.76781%0.805SS**PPolyproline II helixtrans-65126.1170.2-43.80000107.7P309P309-T311 PolarHBondContact O-N 2.85Å; P309-T311 VanDerWaalsContact O-N 3.12Å
312P42.3Very low43.8Very low106 Ų106151.5 Ų151.569%0.68881%0.812SS**PPolyproline II helixtrans-63.6140.9-177.5-14.526.2000110.5R314P312-R314 PolarHBondContact O-N 2.84Å
313P41Very low43.3Very low130 Ų130155.4 Ų155.484%0.84483%0.829SS**PPolyproline II helixtrans-60.1133.7175-18.729.5000111.2
314R44.5Very low43.6Very low232 Ų232154 Ų15488%0.87583%0.83SS**PPolyproline II helixtrans-78.6130.9176.4-156.2176.1-176.7175.11.6109.3P312P312-R314 PolarHBondContact O-N 2.84Å
315N42Very low43.5Very low132 Ų132155.6 Ų155.671%0.70683%0.832SS**  trans92.9108.1165.8-56.8-22.2000118.1
316M37.4Very low43.6Very low184 Ų184155.4 Ų155.491%0.90683%0.831SS**  -138.7108.9122.8-76.8-160.9176.600109.4T318M316-T318 PolarHBondContact O-N 2.93Å
317V49.8Very low43.4Very low131 Ų131160.2 Ų160.279%0.79484%0.835SS**  trans-68106.7163.8173.40000107
318T39.5Very low43.2Very low123 Ų123163.4 Ų163.476%0.75584%0.84SS**  trans-98.6105161.641.90000109.2M316 Q320M316-T318 PolarHBondContact O-N 2.93Å; T318-Q320 PolarHBondContact O-N 3.39Å
319K48.1Very low42.9Very low201 Ų201159.4 Ų159.487%0.87484%0.839SS**  trans-47.8121.7154.6-76.8174.4171.9175.50108.7
320Q38.3Very low42.9Very low195 Ų195162.3 Ų162.391%0.91184%0.844SS**  trans-115.8119.4150.3-89.7-173.9-7.600109T318T318-Q320 PolarHBondContact O-N 3.39Å
321A43.5Very low42.7Very low93 Ų93164.5 Ų164.577%0.76985%0.846SS**  trans-80.5142.2170.700000109.7
322K40.9Very low42.3Very low200 Ų200167.8 Ų167.887%0.8785%0.853SS**  trans30.8109.2141.8-65.1-177.7175.1-177.30117.7
323K39.8Very low42.3Very low286 Ų286173.4 Ų173.4100%1.24387%0.868SS**  -158.80104.7-112-177.8179.7-177.90109.6

Retrieved 323 of 323 residues in 273.8 ms (Link to these results)

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