A0A077Z761_TRITR Loading...

Serine/threonine-protein phosphatase

Probable phosphatase which plays a redundant role with gsp-4 in spermatogenesis by regulating sister chromatid segregation during meiosis. In addition, involved in sperm motility by controlling the dynamic disassembly of major sperm proteins (MSP) in the spermatozoan pseudopodium.

AlphaFold DB , UniProt , Accession A0A077Z761, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 332 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
1M32.6Very low63.2Low234 Ų234115.6 Ų115.6100%1.15357%0.57SS**  0108.30-99.2175.9-17100107.5V3M1-V3 PolarHBondContact O-N 3.33Å
2N33.3Very low65.4Low144 Ų144113.1 Ų113.177%0.7758%0.581SS**  trans-70.387.9-177.1-81.4-29.7000110.6R4N2-R4 PolarHBondContact O-N 2.68Å
3V41.4Very low67.5Low114 Ų114111.7 Ų111.769%0.69159%0.587SS**  trans-8048.7155.6-164.40000108.3M1M1-V3 PolarHBondContact O-N 3.33Å
4R47.2Very low69.4Low218 Ų218105.6 Ų105.682%0.82356%0.557SS**  trans-89.414.4160.8-109.4-174.2-174.9-175.12.4109.8N2 D6N2-R4 PolarHBondContact O-N 2.68Å; R4-D6 PolarHBondContact O-N 2.81Å
5F44.6Very low71.1Confident185 Ų185106.8 Ų106.881%0.81156%0.555SS**SBendtrans-61.385.1172.7-106.5-85.9000109L7F5-L7 PolarHBondContact O-N 3.43Å
6D67.6Low72.7Confident70 Ų70104.5 Ų104.537%0.37455%0.549SS..  trans59.142142.3-135.8-10000118.8R4 D8 E9 A10R4-D6 PolarHBondContact O-N 2.81Å; D6-D8 PolarHBondContact O-N 2.89Å; D6-E9 HydrophobicContact CB-CB 4.25Å; D6-E9 PolarHBondContact O-N 2.88Å; D6-E9 WeakPolarHBondContact OD1-CA 3.36Å; D6-E9 WeakPolarHBondContact OD1-CB 3.44Å; D6-E9 PolarHBondContact OD1-N 2.85Å; D6-E9 WeakPolarHBondContact OD2-CB 3.42Å; D6-A10 WeakPolarHBondContact O-CB 3.5Å; D6-A10 PolarHBondContact O-N 2.92Å
7L81.4Confident74Confident46 Ų4699.6 Ų99.624%0.24152%0.523CS..Hα-helixtrans-57.9-23.8163.1-65.4-179.8000111.6F5 L11 W168 R171F5-L7 PolarHBondContact O-N 3.43Å; L7-L11 WeakPolarHBondContact O-CA 3.37Å; L7-L11 WeakPolarHBondContact O-CB 3.47Å; L7-L11 PolarHBondContact O-N 2.87Å; L7-W168 HydrophobicContact CB-CH2 4.17Å; L7-W168 HydrophobicContact CB-CZ3 4.24Å; L7-W168 HydrophobicContact CD2-CD2 3.81Å; L7-W168 VanDerWaalsContact CD2-CE2 3.43Å; L7-W168 HydrophobicContact CD2-CE3 4.14Å; L7-W168 HydrophobicContact CD2-CG 4.43Å; L7-W168 HydrophobicContact CD2-CH2 3.82Å; L7-W168 HydrophobicContact CD2-CZ2 3.46Å; L7-W168 VanDerWaalsContact CD2-CZ2 3.46Å; L7-W168 HydrophobicContact CD2-CZ3 4.14Å; L7-W168 WeakPolarHBondContact O-CH2 3.24Å; L7-R171 HydrophobicContact CD1-CB 3.94Å; L7-R171 HydrophobicContact CD1-CG 4.19Å
8D82.5Confident75.3Confident86 Ų8699.6 Ų99.646%0.4652%0.52SS..Hα-helixtrans-77-44.6179.9-68.3-25.7000112.3D6 L11 A12 R171D6-D8 PolarHBondContact O-N 2.89Å; D8-L11 WeakPolarHBondContact O-CB 3.36Å; D8-L11 PolarHBondContact O-N 3.14Å; D8-A12 PolarHBondContact O-N 3.34Å; D8-R171 IonicContact OD1-CZ 2.86Å; D8-R171 IonicContact OD1-NE 2.66Å; D8-R171 PolarHBondContact OD1-NE 3.02Å; D8-R171 IonicContact OD1-NH2 2.68Å; D8-R171 PolarHBondContact OD1-NH2 3Å; D8-R171 IonicContact OD2-NH2 3.48Å; D8-R171 PolarHBondContact OD2-NH2 2.93Å
9E84.4Confident76.3Confident132 Ų132102.8 Ų102.862%0.61753%0.525SS*.Hα-helixtrans-67.5-39171-168.8-179.9149.300111.3D6 L11 A12 S13D6-E9 HydrophobicContact CB-CB 4.25Å; D6-E9 PolarHBondContact O-N 2.88Å; D6-E9 WeakPolarHBondContact OD1-CA 3.36Å; D6-E9 WeakPolarHBondContact OD1-CB 3.44Å; D6-E9 PolarHBondContact OD1-N 2.85Å; D6-E9 WeakPolarHBondContact OD2-CB 3.42Å; E9-L11 VanDerWaalsContact C-N 3.31Å; E9-L11 PolarHBondContact O-N 3.41Å; E9-A12 PolarHBondContact O-N 3.5Å; E9-S13 PolarHBondContact O-N 3.02Å; E9-S13 PolarHBondContact O-OG 3.05Å
10A88.7Confident77.3Confident33 Ų33105.5 Ų105.527%0.27354%0.535SS..Hα-helixtrans-62.4-40.1173.300000111.3D6 A12 S13 T14 W168D6-A10 WeakPolarHBondContact O-CB 3.5Å; D6-A10 PolarHBondContact O-N 2.92Å; A10-A12 VanDerWaalsContact C-N 3.34Å; A10-A12 PolarHBondContact O-N 3.27Å; A10-S13 PolarHBondContact O-N 3.28Å; A10-S13 PolarHBondContact O-OG 3.09Å; A10-T14 WeakPolarHBondContact O-CB 3.42Å; A10-T14 PolarHBondContact O-N 2.91Å; A10-T14 PolarHBondContact O-OG1 3.38Å; A10-W168 HydrophobicContact CB-CH2 3.79Å; A10-W168 HydrophobicContact CB-CZ2 3.73Å
11L91.5Very high78.2Confident10 Ų10102.9 Ų102.95%0.05252%0.521CS..Hα-helixtrans-63.5-40.8174.2174.966.4000110.8L7 D8 E9 S13 C53 I56 R57 W168L7-L11 WeakPolarHBondContact O-CA 3.37Å; L7-L11 WeakPolarHBondContact O-CB 3.47Å; L7-L11 PolarHBondContact O-N 2.87Å; D8-L11 WeakPolarHBondContact O-CB 3.36Å; D8-L11 PolarHBondContact O-N 3.14Å; E9-L11 VanDerWaalsContact C-N 3.31Å; E9-L11 PolarHBondContact O-N 3.41Å; L11-S13 VanDerWaalsContact C-N 3.34Å; L11-S13 PolarHBondContact O-N 3.04Å; L11-C53 HydrophobicContact CD1-CB 3.61Å; L11-I56 HydrophobicContact CD1-CB 4.18Å; L11-I56 HydrophobicContact CD1-CD1 4.37Å; L11-I56 HydrophobicContact CD1-CG2 4.16Å; L11-I56 HydrophobicContact CD2-CB 4.43Å; L11-I56 HydrophobicContact CD2-CG2 3.52Å; L11-R57 HydrophobicContact CD1-CG 4.39Å; L11-R57 PolarHBondContact O-NH2 2.76Å; L11-W168 HydrophobicContact CB-CH2 4.28Å; L11-W168 HydrophobicContact CB-CZ3 4.25Å
12A90.1Very high81.2Confident85 Ų8592.3 Ų92.370%0.70247%0.469SS*.Hα-helixtrans-65.6-36.6178.800000112.6D8 E9 A10D8-A12 PolarHBondContact O-N 3.34Å; E9-A12 PolarHBondContact O-N 3.5Å; A10-A12 VanDerWaalsContact C-N 3.34Å; A10-A12 PolarHBondContact O-N 3.27Å
13S92.2Very high84.2Confident95 Ų9587.5 Ų87.566%0.66444%0.443SS*.Hα-helixtrans-88.4-17.2-176.657.40000115E9 A10 L11 K15E9-S13 PolarHBondContact O-N 3.02Å; E9-S13 PolarHBondContact O-OG 3.05Å; A10-S13 PolarHBondContact O-N 3.28Å; A10-S13 PolarHBondContact O-OG 3.09Å; L11-S13 VanDerWaalsContact C-N 3.34Å; L11-S13 PolarHBondContact O-N 3.04Å; S13-K15 PolarHBondContact O-N 3.23Å
14T94.4Very high86.7Confident26 Ų2688.5 Ų88.516%0.1644%0.438CS..SBendtrans-67.4122.4-176.7-67.60000112.4A10 R50 C53 R57A10-T14 WeakPolarHBondContact O-CB 3.42Å; A10-T14 PolarHBondContact O-N 2.91Å; A10-T14 PolarHBondContact O-OG1 3.38Å; T14-R50 HydrophobicContact CG2-CB 4.25Å; T14-R50 HydrophobicContact CG2-CG 3.63Å; T14-C53 HydrophobicContact CG2-CB 3.94Å; T14-R57 PolarHBondContact O-NH1 3.09Å; T14-R57 PolarHBondContact O-NH2 2.85Å
15K95.3Very high89Confident124 Ų12479 Ų7954%0.53940%0.404SS..PPolyproline II helixtrans-63.6128.9176.4-172.9-171.5169.8-167.20111.1S13 E18 R50S13-K15 PolarHBondContact O-N 3.23Å; K15-E18 IonicContact NZ-OE1 2.79Å; K15-E18 PolarHBondContact NZ-OE1 3.14Å; K15-R50 PolarHBondContact O-NE 3.43Å
16P95.7Very high91.5Very high70 Ų7070.8 Ų70.846%0.45537%0.369SS..PPolyproline II helixtrans-55.3151.2173.2-24.633.6000113R50 D54P16-R50 PolarHBondContact O-NH2 2.77Å; P16-D54 WeakPolarHBondContact CA-OD1 3.28Å; P16-D54 WeakPolarHBondContact CB-OD1 3.29Å
17L96Very high92.8Very high21 Ų2174.5 Ų74.511%0.1138%0.378CS..PPolyproline II helixtrans-66.7134.9170-77.3171.1000110.6E21 L22 I47 R50 L51 D54L17-E21 HydrophobicContact CD2-CB 3.8Å; L17-L22 HydrophobicContact CD1-CD1 4.47Å; L17-I47 HydrophobicContact CD2-CD1 3.88Å; L17-I47 HydrophobicContact CD2-CG2 4.07Å; L17-R50 HydrophobicContact CD1-CB 4.46Å; L17-R50 HydrophobicContact CD2-CB 4.08Å; L17-R50 HydrophobicContact CG-CB 3.86Å; L17-L51 HydrophobicContact CD1-CB 3.66Å; L17-L51 HydrophobicContact CD1-CD1 4.21Å; L17-D54 WeakPolarHBondContact CB-OD2 3.2Å; L17-D54 PolarHBondContact N-OD2 2.89Å
18E96.3Very high93.4Very high100 Ų10074.9 Ų74.947%0.46738%0.382SS..PPolyproline II helixtrans-72.7149.5167.7-64.8176.6-163.300109.3K15 Q20 E21 L22K15-E18 IonicContact NZ-OE1 2.79Å; K15-E18 PolarHBondContact NZ-OE1 3.14Å; E18-Q20 PolarHBondContact O-N 2.72Å; E18-Q20 VanDerWaalsContact O-N 3.09Å; E18-E21 HydrophobicContact CB-CG 4.21Å; E18-E21 WeakPolarHBondContact CB-OE2 3.24Å; E18-E21 PolarHBondContact N-OE2 3.37Å; E18-E21 WeakPolarHBondContact O-CA 3.27Å; E18-E21 WeakPolarHBondContact O-CB 3.48Å; E18-E21 PolarHBondContact O-N 2.93Å; E18-L22 PolarHBondContact O-N 2.9Å
19R95.3Very high93.9Very high161 Ų16170.8 Ų70.861%0.60836%0.36SS*.Hα-helixtrans-53.6-36.9-177.8-176.2174.9174.5-179.3-0.7112.9L22 D23 R126R19-L22 PolarHBondContact O-N 3.38Å; R19-D23 WeakPolarHBondContact O-CB 3.04Å; R19-D23 PolarHBondContact O-N 2.99Å; R19-R126 VanDerWaalsContact NE-CZ 3.27Å
20Q95.6Very high94.4Very high155 Ų15566.6 Ų66.672%0.72434%0.342SS*.Hα-helixtrans-69-35.2178.3-63.7-17912.200112.8E18 K24E18-Q20 PolarHBondContact O-N 2.72Å; E18-Q20 VanDerWaalsContact O-N 3.09Å; Q20-K24 WeakPolarHBondContact O-CB 3.46Å; Q20-K24 PolarHBondContact O-N 3.14Å
21E95.7Very high94.4Very high52 Ų5271.1 Ų71.124%0.24336%0.361CS..Hα-helixtrans-66.2-46174.6-60.7176.9105.600109.7L17 E18 K24 V25 R50L17-E21 HydrophobicContact CD2-CB 3.8Å; E18-E21 HydrophobicContact CB-CG 4.21Å; E18-E21 WeakPolarHBondContact CB-OE2 3.24Å; E18-E21 PolarHBondContact N-OE2 3.37Å; E18-E21 WeakPolarHBondContact O-CA 3.27Å; E18-E21 WeakPolarHBondContact O-CB 3.48Å; E18-E21 PolarHBondContact O-N 2.93Å; E21-K24 WeakPolarHBondContact O-CB 3.4Å; E21-K24 PolarHBondContact O-N 2.76Å; E21-V25 WeakPolarHBondContact O-CG2 3.45Å; E21-V25 PolarHBondContact O-N 3.27Å; E21-V25 VanDerWaalsContact O-N 3.07Å; E21-R50 IonicContact OE1-CZ 3.05Å; E21-R50 IonicContact OE1-NH1 3.62Å; E21-R50 PolarHBondContact OE1-NH1 2.93Å; E21-R50 IonicContact OE1-NH2 2.74Å; E21-R50 IonicContact OE2-CZ 2.95Å; E21-R50 IonicContact OE2-NH1 3.72Å; E21-R50 PolarHBondContact OE2-NH1 3.3Å; E21-R50 IonicContact OE2-NH2 3.52Å; E21-R50 PolarHBondContact OE2-NH2 2.83Å
22L95.7Very high94.3Very high12 Ų1271.8 Ų71.86%0.06336%0.363CS..Hα-helixtrans-60.9-49.4176.5-172.958.8000112.2L17 E18 R19 K24 V25 I26 L51 C122 C125 R126L17-L22 HydrophobicContact CD1-CD1 4.47Å; E18-L22 PolarHBondContact O-N 2.9Å; R19-L22 PolarHBondContact O-N 3.38Å; L22-K24 PolarHBondContact O-N 3.47Å; L22-V25 PolarHBondContact O-N 2.8Å; L22-V25 VanDerWaalsContact O-N 3.14Å; L22-I26 HydrophobicContact CG-CD1 4.39Å; L22-I26 WeakPolarHBondContact O-CG1 3.22Å; L22-I26 PolarHBondContact O-N 3.44Å; L22-L51 HydrophobicContact CD1-CD1 3.76Å; L22-C122 HydrophobicContact CD1-CB 3.89Å; L22-C125 HydrophobicContact CD1-CB 4.37Å; L22-C125 HydrophobicContact CD2-CB 3.88Å; L22-R126 HydrophobicContact CD2-CB 3.67Å; L22-R126 HydrophobicContact CD2-CG 4.32Å; L22-R126 HydrophobicContact CG-CB 4.31Å
23D96.1Very high93.9Very high42 Ų4274.8 Ų74.823%0.22536%0.356CS..Hα-helixtrans-63.9-25.3177.4-70-19.1000111.8R19 R27 R126R19-D23 WeakPolarHBondContact O-CB 3.04Å; R19-D23 PolarHBondContact O-N 2.99Å; D23-R27 WeakPolarHBondContact O-CB 3.49Å; D23-R27 VanDerWaalsContact O-CG 3.27Å; D23-R27 WeakPolarHBondContact O-CG 3.48Å; D23-R27 PolarHBondContact O-N 3.13Å; D23-R27 VanDerWaalsContact O-N 3.14Å; D23-R27 PolarHBondContact O-NE 2.97Å; D23-R126 WeakPolarHBondContact OD1-CD 3.32Å; D23-R126 IonicContact OD1-CZ 2.73Å; D23-R126 IonicContact OD1-NE 3.54Å; D23-R126 PolarHBondContact OD1-NE 3.02Å; D23-R126 IonicContact OD1-NH2 3.42Å; D23-R126 IonicContact OD2-NE 2.62Å
24K95.4Very high93.2Very high136 Ų13674.4 Ų74.459%0.59137%0.367SS*.Hα-helixtrans-71.4-46.3172.3-175.5-175.6176.9-173.20111.2Q20 E21 L22 I26 R27 T28Q20-K24 WeakPolarHBondContact O-CB 3.46Å; Q20-K24 PolarHBondContact O-N 3.14Å; E21-K24 WeakPolarHBondContact O-CB 3.4Å; E21-K24 PolarHBondContact O-N 2.76Å; L22-K24 PolarHBondContact O-N 3.47Å; K24-I26 VanDerWaalsContact C-N 3.34Å; K24-I26 PolarHBondContact O-N 3.25Å; K24-R27 PolarHBondContact O-N 3.24Å; K24-T28 PolarHBondContact O-N 3.3Å; K24-T28 PolarHBondContact O-OG1 2.58Å
25V95.6Very high92.5Very high19 Ų1975.7 Ų75.712%0.11538%0.375CS..Hα-helixtrans-60-46.1177.2-179.60000110.6E21 L22 R27 T28 L29 I47 T118 C122E21-V25 WeakPolarHBondContact O-CG2 3.45Å; E21-V25 PolarHBondContact O-N 3.27Å; E21-V25 VanDerWaalsContact O-N 3.07Å; L22-V25 PolarHBondContact O-N 2.8Å; L22-V25 VanDerWaalsContact O-N 3.14Å; V25-R27 PolarHBondContact O-N 3.05Å; V25-T28 PolarHBondContact O-N 3.15Å; V25-L29 HydrophobicContact CG1-CD1 4.04Å; V25-L29 WeakPolarHBondContact O-CG 3.5Å; V25-L29 PolarHBondContact O-N 3.07Å; V25-I47 HydrophobicContact CG2-CG2 3.63Å; V25-T118 HydrophobicContact CG1-CG2 4.06Å; V25-C122 WeakPolarHBondContact CG1-SG 3.28Å
26I96Very high91.5Very high12 Ų1275.4 Ų75.46%0.06237%0.374CS..Hα-helixtrans-55.7-52.6175.7-66.3169.5000110.2L22 K24 T28 L29 L30 L119 C122 Y123 R126L22-I26 HydrophobicContact CG-CD1 4.39Å; L22-I26 WeakPolarHBondContact O-CG1 3.22Å; L22-I26 PolarHBondContact O-N 3.44Å; K24-I26 VanDerWaalsContact C-N 3.34Å; K24-I26 PolarHBondContact O-N 3.25Å; I26-T28 VanDerWaalsContact C-N 3.32Å; I26-T28 PolarHBondContact O-N 3.12Å; I26-L29 PolarHBondContact O-N 3.06Å; I26-L30 HydrophobicContact CG2-CD1 3.71Å; I26-L30 HydrophobicContact CG2-CG 4.08Å; I26-L30 WeakPolarHBondContact O-CG 3.26Å; I26-L30 PolarHBondContact O-N 2.85Å; I26-L119 HydrophobicContact CG2-CD1 4.49Å; I26-C122 HydrophobicContact CD1-CB 4.06Å; I26-C122 HydrophobicContact CG1-CB 3.51Å; I26-Y123 HydrophobicContact CD1-CD1 4.23Å; I26-Y123 HydrophobicContact CD1-CE1 4.37Å; I26-Y123 HydrophobicContact CG2-CE1 4.06Å; I26-R126 HydrophobicContact CD1-CB 4.16Å; I26-R126 HydrophobicContact CD1-CG 4.19Å
27R94.9Very high90.5Very high148 Ų14873.5 Ų73.556%0.55836%0.361SS*.Hα-helixtrans-59.5-40.8179.3-77179.9-67.3153.4-3.8112.7D23 K24 V25 L29 L30 N31D23-R27 WeakPolarHBondContact O-CB 3.49Å; D23-R27 VanDerWaalsContact O-CG 3.27Å; D23-R27 WeakPolarHBondContact O-CG 3.48Å; D23-R27 PolarHBondContact O-N 3.13Å; D23-R27 VanDerWaalsContact O-N 3.14Å; D23-R27 PolarHBondContact O-NE 2.97Å; K24-R27 PolarHBondContact O-N 3.24Å; V25-R27 PolarHBondContact O-N 3.05Å; R27-L29 VanDerWaalsContact C-N 3.33Å; R27-L29 PolarHBondContact O-N 3.21Å; R27-L30 PolarHBondContact O-N 2.91Å; R27-N31 WeakPolarHBondContact O-CB 3.13Å; R27-N31 PolarHBondContact O-N 3.36Å; R27-N31 PolarHBondContact O-ND2 2.77Å; R27-N31 PolarHBondContact O-OD1 2.95Å
28T93.7Very high89.3Confident53 Ų5374.6 Ų74.633%0.32538%0.377SS..Hα-helixtrans-60.3-43.1176.9-67.90000111.7K24 V25 I26 V41K24-T28 PolarHBondContact O-N 3.3Å; K24-T28 PolarHBondContact O-OG1 2.58Å; V25-T28 PolarHBondContact O-N 3.15Å; I26-T28 VanDerWaalsContact C-N 3.32Å; I26-T28 PolarHBondContact O-N 3.12Å; T28-V41 HydrophobicContact CG2-CG1 3.77Å
29L94.1Very high88.3Confident1 Ų171.9 Ų71.91%0.00537%0.37CS..Hα-helixtrans-68.6-44.7176.5-69.9169.2000111.7V25 I26 R27 N31 R32 V41 Y43 F82 E115 T118 L119V25-L29 HydrophobicContact CG1-CD1 4.04Å; V25-L29 WeakPolarHBondContact O-CG 3.5Å; V25-L29 PolarHBondContact O-N 3.07Å; I26-L29 PolarHBondContact O-N 3.06Å; R27-L29 VanDerWaalsContact C-N 3.33Å; R27-L29 PolarHBondContact O-N 3.21Å; L29-N31 VanDerWaalsContact C-N 3.31Å; L29-N31 PolarHBondContact O-N 3.35Å; L29-R32 WeakPolarHBondContact O-CB 3.43Å; L29-R32 PolarHBondContact O-N 3.46Å; L29-R32 VanDerWaalsContact O-N 3.09Å; L29-V41 HydrophobicContact CD2-CG1 4.46Å; L29-V41 HydrophobicContact CD2-CG2 4.42Å; L29-Y43 HydrophobicContact CD2-CE1 4.1Å; L29-Y43 WeakPolarHBondContact CD2-OH 3.47Å; L29-F82 HydrophobicContact CB-CZ 4.09Å; L29-F82 HydrophobicContact CD2-CZ 4.28Å; L29-E115 HydrophobicContact CD2-CB 4.29Å; L29-E115 HydrophobicContact CD2-CG 4.25Å; L29-T118 HydrophobicContact CD1-CG2 3.85Å; L29-L119 HydrophobicContact CB-CD1 4.26Å; L29-L119 HydrophobicContact CD1-CB 3.96Å; L29-L119 HydrophobicContact CD1-CD1 4.17Å
30L93.2Very high87.5Confident44 Ų4473.7 Ų73.723%0.2338%0.382CS..Hα-helixtrans-67.9-29.4-179.4-65.6-176000113.3I26 R27 R32 R33 L86 F94 L119I26-L30 HydrophobicContact CG2-CD1 3.71Å; I26-L30 HydrophobicContact CG2-CG 4.08Å; I26-L30 WeakPolarHBondContact O-CG 3.26Å; I26-L30 PolarHBondContact O-N 2.85Å; R27-L30 PolarHBondContact O-N 2.91Å; L30-R32 PolarHBondContact O-N 3.44Å; L30-R33 WeakPolarHBondContact O-CB 3.45Å; L30-R33 PolarHBondContact O-N 3.37Å; L30-L86 HydrophobicContact CD2-CD2 3.76Å; L30-F94 HydrophobicContact CD2-CD1 4.31Å; L30-F94 HydrophobicContact CD2-CE1 3.74Å; L30-L119 HydrophobicContact CD2-CD1 4.32Å; L30-L119 HydrophobicContact CD2-CD2 4.19Å
31N90.4Very high86.9Confident127 Ų12767.1 Ų67.168%0.67935%0.352SS*.THydrogen-bonded Turntrans-65.6-7.4173.8-73.7-13.6000113.3R27 L29 R33R27-N31 WeakPolarHBondContact O-CB 3.13Å; R27-N31 PolarHBondContact O-N 3.36Å; R27-N31 PolarHBondContact O-ND2 2.77Å; R27-N31 PolarHBondContact O-OD1 2.95Å; L29-N31 VanDerWaalsContact C-N 3.31Å; L29-N31 PolarHBondContact O-N 3.35Å; N31-R33 VanDerWaalsContact C-N 3.29Å
32R87.8Confident86.2Confident24 Ų2470.3 Ų70.39%0.09138%0.377CS..THydrogen-bonded Turntrans-79.4-11.6170.1-65.8-64.7-56.1-81.1-27.4113.6L29 L30 G34 T35 S39 K40 V41 F82 E112L29-R32 WeakPolarHBondContact O-CB 3.43Å; L29-R32 PolarHBondContact O-N 3.46Å; L29-R32 VanDerWaalsContact O-N 3.09Å; L30-R32 PolarHBondContact O-N 3.44Å; R32-G34 PolarHBondContact O-N 3.3Å; R32-T35 WeakPolarHBondContact CA-OG1 3.48Å; R32-T35 PolarHBondContact NE-OG1 3.24Å; R32-T35 WeakPolarHBondContact O-CB 3.32Å; R32-T35 PolarHBondContact O-N 2.77Å; R32-T35 PolarHBondContact O-OG1 2.87Å; R32-S39 VanDerWaalsContact CZ-O 3.24Å; R32-S39 PolarHBondContact NH1-O 2.77Å; R32-S39 VanDerWaalsContact NH2-N 3.14Å; R32-S39 PolarHBondContact NH2-O 3.2Å; R32-S39 VanDerWaalsContact NH2-O 3.15Å; R32-K40 VanDerWaalsContact NH1-C 3.34Å; R32-K40 PolarHBondContact NH1-O 3.4Å; R32-V41 HydrophobicContact CG-CG2 4.13Å; R32-V41 VanDerWaalsContact NH1-CG2 3.26Å; R32-F82 HydrophobicContact CB-CE1 3.96Å; R32-F82 HydrophobicContact CG-CE1 4.5Å; R32-E112 IonicContact NH2-OE1 3.31Å; R32-E112 PolarHBondContact NH2-OE1 3.14Å
33R83.5Confident85.6Confident148 Ų14871.6 Ų71.656%0.55838%0.382SS*.THydrogen-bonded Turntrans-53.7126.5171.7-173.5-178.4174.8-162.70.2110L30 N31 T35 L86 D90L30-R33 WeakPolarHBondContact O-CB 3.45Å; L30-R33 PolarHBondContact O-N 3.37Å; N31-R33 VanDerWaalsContact C-N 3.29Å; R33-T35 PolarHBondContact O-N 3.2Å; R33-L86 HydrophobicContact CB-CD1 4.13Å; R33-D90 IonicContact CZ-OD1 3.92Å; R33-D90 IonicContact CZ-OD2 3.91Å; R33-D90 IonicContact NE-OD1 3.58Å; R33-D90 PolarHBondContact NE-OD1 3.45Å; R33-D90 IonicContact NE-OD2 3.83Å; R33-D90 PolarHBondContact NE-OD2 3.05Å; R33-D90 IonicContact NH1-OD1 3.84Å; R33-D90 PolarHBondContact NH1-OD1 3.28Å; R33-D90 IonicContact NH2-OD1 2.83Å; R33-D90 PolarHBondContact NH2-OD1 2.76Å; R33-D90 IonicContact NH2-OD2 2.71Å; R33-D90 PolarHBondContact NH2-OD2 3.12Å
34G76.8Confident85.3Confident87 Ų8773.8 Ų73.890%0.89739%0.394SS*.THydrogen-bonded Turntrans75.40.9-177.500000115.4R32R32-G34 PolarHBondContact O-N 3.3Å
35T80.1Confident85.2Confident53 Ų5367.4 Ų67.433%0.32537%0.366SS..SBendtrans-83.3163170.169.20000110.9R32 R33R32-T35 WeakPolarHBondContact CA-OG1 3.48Å; R32-T35 PolarHBondContact NE-OG1 3.24Å; R32-T35 WeakPolarHBondContact O-CB 3.32Å; R32-T35 PolarHBondContact O-N 2.77Å; R32-T35 PolarHBondContact O-OG1 2.87Å; R33-T35 PolarHBondContact O-N 3.2Å
36K74.4Confident85.2Confident119 Ų11974 Ų7452%0.51739%0.393SS..PPolyproline II helixtrans-57127.8174.3175.7172.5176.61740110.2G38 S39 Y323K36-G38 PolarHBondContact O-N 3.09Å; K36-S39 WeakPolarHBondContact O-CB 3.45Å; K36-S39 PolarHBondContact O-N 3.2Å; K36-S39 VanDerWaalsContact O-N 3.12Å; K36-S39 PolarHBondContact O-OG 3.45Å; K36-Y323 HydrophobicContact CB-CE1 4.24Å; K36-Y323 HydrophobicContact CD-CD1 3.72Å; K36-Y323 HydrophobicContact CD-CE1 3.71Å; K36-Y323 HydrophobicContact CG-CD1 3.52Å; K36-Y323 HydrophobicContact CG-CE1 3.55Å; K36-Y323 HydrophobicContact CG-CG 4.09Å
37P73.8Confident85.2Confident29 Ų2974.9 Ų74.919%0.18840%0.398CS..THydrogen-bonded Turntrans-48.7137.4169.4-28.836.2000111.9S39 Y323P37-S39 VanDerWaalsContact C-N 3.27Å; P37-S39 PolarHBondContact O-N 3.3Å; P37-Y323 HydrophobicContact CB-CD2 4.46Å; P37-Y323 HydrophobicContact CG-CD2 3.61Å; P37-Y323 HydrophobicContact CG-CE2 4.29Å; P37-Y323 HydrophobicContact CG-CG 4.17Å
38G71.7Confident85.3Confident44 Ų4468 Ų6845%0.45437%0.372SS..THydrogen-bonded Turntrans75.18.6-178.800000114.9K36 E112K36-G38 PolarHBondContact O-N 3.09Å; G38-E112 WeakPolarHBondContact CA-OE1 3.33Å; G38-E112 VanDerWaalsContact N-CD 3.32Å; G38-E112 PolarHBondContact N-OE1 3.27Å
39S74.7Confident85.5Confident43 Ų4367.2 Ų67.230%0.30137%0.366SS..  trans-57.1158.4167.3-54.20000109.5R32 K36 P37R32-S39 VanDerWaalsContact CZ-O 3.24Å; R32-S39 PolarHBondContact NH1-O 2.77Å; R32-S39 VanDerWaalsContact NH2-N 3.14Å; R32-S39 PolarHBondContact NH2-O 3.2Å; R32-S39 VanDerWaalsContact NH2-O 3.15Å; K36-S39 WeakPolarHBondContact O-CB 3.45Å; K36-S39 PolarHBondContact O-N 3.2Å; K36-S39 VanDerWaalsContact O-N 3.12Å; K36-S39 PolarHBondContact O-OG 3.45Å; P37-S39 VanDerWaalsContact C-N 3.27Å; P37-S39 PolarHBondContact O-N 3.3Å
40K78.4Confident85.6Confident199 Ų19969 Ų6987%0.86537%0.372SS*.  trans-82.1144.5-178.6-66.2-170.5176.8-170.80111.4R32R32-K40 VanDerWaalsContact NH1-C 3.34Å; R32-K40 PolarHBondContact NH1-O 3.4Å
41V83.2Confident85.9Confident17 Ų1767 Ų6710%0.10336%0.362CS..  trans-107.7125.8165.9-178.80000107.8T28 L29 R32 Y43 E115T28-V41 HydrophobicContact CG2-CG1 3.77Å; L29-V41 HydrophobicContact CD2-CG1 4.46Å; L29-V41 HydrophobicContact CD2-CG2 4.42Å; R32-V41 HydrophobicContact CG-CG2 4.13Å; R32-V41 VanDerWaalsContact NH1-CG2 3.26Å; V41-Y43 VanDerWaalsContact C-N 3.31Å; V41-Y43 HydrophobicContact CB-CD2 4.08Å; V41-Y43 HydrophobicContact CB-CE1 4.16Å; V41-Y43 HydrophobicContact CB-CE2 3.61Å; V41-Y43 HydrophobicContact CG1-CD1 3.91Å; V41-Y43 HydrophobicContact CG1-CD2 4.27Å; V41-Y43 HydrophobicContact CG1-CE1 3.61Å; V41-Y43 HydrophobicContact CG1-CE2 3.99Å; V41-Y43 HydrophobicContact CG1-CG 4.24Å; V41-Y43 HydrophobicContact CG2-CE2 4.42Å; V41-Y43 WeakPolarHBondContact O-CD2 3.48Å; V41-Y43 PolarHBondContact O-N 3.31Å; V41-E115 HydrophobicContact CG2-CG 4.08Å
42P81.2Confident86.3Confident119 Ų11961 Ų6177%0.77333%0.33SS*.  trans-76.286.7176.131.1-32.7000109.2
43Y82.6Confident86.8Confident40 Ų4059.8 Ų59.816%0.15733%0.325CS..  trans-77.2147.3174.5-66.7-65.3000111.6L29 V41 L48 L114 E115 T118 F157L29-Y43 HydrophobicContact CD2-CE1 4.1Å; L29-Y43 WeakPolarHBondContact CD2-OH 3.47Å; V41-Y43 VanDerWaalsContact C-N 3.31Å; V41-Y43 HydrophobicContact CB-CD2 4.08Å; V41-Y43 HydrophobicContact CB-CE1 4.16Å; V41-Y43 HydrophobicContact CB-CE2 3.61Å; V41-Y43 HydrophobicContact CG1-CD1 3.91Å; V41-Y43 HydrophobicContact CG1-CD2 4.27Å; V41-Y43 HydrophobicContact CG1-CE1 3.61Å; V41-Y43 HydrophobicContact CG1-CE2 3.99Å; V41-Y43 HydrophobicContact CG1-CG 4.24Å; V41-Y43 HydrophobicContact CG2-CE2 4.42Å; V41-Y43 WeakPolarHBondContact O-CD2 3.48Å; V41-Y43 PolarHBondContact O-N 3.31Å; Y43-L48 HydrophobicContact CD1-CD1 4.11Å; Y43-L48 HydrophobicContact CD1-CD2 3.92Å; Y43-L48 HydrophobicContact CD1-CG 4.33Å; Y43-L48 HydrophobicContact CE1-CD2 4.31Å; Y43-L48 HydrophobicContact CG-CD1 3.96Å; Y43-L114 HydrophobicContact CD2-CD2 3.72Å; Y43-L114 HydrophobicContact CE2-CD2 3.44Å; Y43-L114 VanDerWaalsContact CE2-CD2 3.44Å; Y43-L114 HydrophobicContact CE2-CG 3.93Å; Y43-E115 WeakPolarHBondContact OH-CA 3.28Å; Y43-E115 WeakPolarHBondContact OH-CG 3.17Å; Y43-E115 PolarHBondContact OH-OE1 3.41Å; Y43-T118 HydrophobicContact CE1-CG2 4.33Å; Y43-F157 AromaticContact CD2-CZ 3.78Å; Y43-F157 HydrophobicContact CD2-CZ 3.78Å; Y43-F157 AromaticContact CG-CZ 4Å; Y43-F157 HydrophobicContact CG-CZ 4Å
44D90.9Very high87.5Confident88 Ų8853.9 Ų53.947%0.47130%0.304SS..  trans-102.1113.6161.6178.9-17000107.3K46 I47 L48D44-K46 PolarHBondContact O-N 2.65Å; D44-K46 VanDerWaalsContact O-N 3.17Å; D44-K46 WeakPolarHBondContact OD1-CB 3.36Å; D44-K46 PolarHBondContact OD1-N 2.9Å; D44-I47 HydrophobicContact CB-CB 4.13Å; D44-I47 HydrophobicContact CB-CG1 3.88Å; D44-I47 WeakPolarHBondContact O-CB 3.26Å; D44-I47 PolarHBondContact O-N 3.4Å; D44-L48 PolarHBondContact O-N 2.76Å
45G93.4Very high88.5Confident2 Ų249.7 Ų49.72%0.02126%0.262CS..Hα-helixtrans-56.1-31.6-17900000112.9I47 L48 I49 E161G45-I47 PolarHBondContact O-N 2.82Å; G45-L48 PolarHBondContact O-N 2.83Å; G45-I49 WeakPolarHBondContact O-CG1 3.32Å; G45-I49 PolarHBondContact O-N 3.37Å; G45-E161 WeakPolarHBondContact CA-OE1 3.09Å
46K94Very high89.4Confident156 Ų15647.2 Ų47.268%0.67825%0.246SC*.Hα-helixtrans-68.1-36.9176.5-63.3177.2179.8175.10112.1D44 R50D44-K46 PolarHBondContact O-N 2.65Å; D44-K46 VanDerWaalsContact O-N 3.17Å; D44-K46 WeakPolarHBondContact OD1-CB 3.36Å; D44-K46 PolarHBondContact OD1-N 2.9Å; K46-R50 WeakPolarHBondContact O-CG 3.37Å; K46-R50 PolarHBondContact O-N 3.46Å; K46-R50 VanDerWaalsContact O-N 3.14Å
47I96.3Very high90.5Very high32 Ų3244 Ų4416%0.16423%0.231CC..Hα-helixtrans-68.1-40.5175-65-63.9000110.3L17 V25 D44 G45 R50 L51L17-I47 HydrophobicContact CD2-CD1 3.88Å; L17-I47 HydrophobicContact CD2-CG2 4.07Å; V25-I47 HydrophobicContact CG2-CG2 3.63Å; D44-I47 HydrophobicContact CB-CB 4.13Å; D44-I47 HydrophobicContact CB-CG1 3.88Å; D44-I47 WeakPolarHBondContact O-CB 3.26Å; D44-I47 PolarHBondContact O-N 3.4Å; G45-I47 PolarHBondContact O-N 2.82Å; I47-R50 PolarHBondContact O-N 3.14Å; I47-L51 WeakPolarHBondContact O-CB 3.37Å; I47-L51 PolarHBondContact O-N 2.8Å
48L97.3Very high91.7Very high2 Ų244.1 Ų44.11%0.0123%0.23CC..Hα-helixtrans-62.5-45.1175.4-66.1-178.7000111.9Y43 D44 G45 R50 L51 V52 L114 T118 F157 L165Y43-L48 HydrophobicContact CD1-CD1 4.11Å; Y43-L48 HydrophobicContact CD1-CD2 3.92Å; Y43-L48 HydrophobicContact CD1-CG 4.33Å; Y43-L48 HydrophobicContact CE1-CD2 4.31Å; Y43-L48 HydrophobicContact CG-CD1 3.96Å; D44-L48 PolarHBondContact O-N 2.76Å; G45-L48 PolarHBondContact O-N 2.83Å; L48-R50 VanDerWaalsContact C-N 3.33Å; L48-R50 PolarHBondContact O-N 3.41Å; L48-L51 WeakPolarHBondContact O-CB 3.36Å; L48-L51 PolarHBondContact O-N 3.35Å; L48-V52 VanDerWaalsContact O-CG2 3.27Å; L48-V52 WeakPolarHBondContact O-CG2 3.44Å; L48-V52 PolarHBondContact O-N 3.17Å; L48-L114 HydrophobicContact CD1-CD1 4.37Å; L48-T118 HydrophobicContact CD2-CG2 3.7Å; L48-F157 HydrophobicContact CD1-CE1 4.13Å; L48-F157 HydrophobicContact CD1-CE2 4.42Å; L48-F157 HydrophobicContact CD1-CZ 3.59Å; L48-L165 HydrophobicContact CB-CD2 3.81Å; L48-L165 HydrophobicContact CD1-CD1 4.38Å; L48-L165 HydrophobicContact CD1-CD2 4.37Å
49I97.2Very high92.9Very high37 Ų3742 Ų4219%0.1921%0.208CC..Hα-helixtrans-58.6-45.3176.1-69.1170.7000111G45 L51 V52 C53 L165 W168G45-I49 WeakPolarHBondContact O-CG1 3.32Å; G45-I49 PolarHBondContact O-N 3.37Å; I49-L51 PolarHBondContact O-N 2.84Å; I49-V52 PolarHBondContact O-N 2.99Å; I49-C53 WeakPolarHBondContact O-CB 3.47Å; I49-C53 PolarHBondContact O-N 3.39Å; I49-C53 PolarHBondContact O-SG 3.25Å; I49-L165 HydrophobicContact CD1-CD2 4.34Å; I49-L165 HydrophobicContact CG1-CD2 3.7Å; I49-W168 HydrophobicContact CG1-CG 4.27Å; I49-W168 HydrophobicContact CG2-CD2 4.15Å; I49-W168 HydrophobicContact CG2-CG 4.35Å; I49-W168 HydrophobicContact CG2-CZ2 4.19Å
50R97.6Very high94Very high39 Ų3943.6 Ų43.615%0.14721%0.211CC..Hα-helixtrans-62.9-41.7177.6-70.1169.766.7-154.9-2.4112T14 K15 P16 L17 E21 K46 I47 L48 C53 D54T14-R50 HydrophobicContact CG2-CB 4.25Å; T14-R50 HydrophobicContact CG2-CG 3.63Å; K15-R50 PolarHBondContact O-NE 3.43Å; P16-R50 PolarHBondContact O-NH2 2.77Å; L17-R50 HydrophobicContact CD1-CB 4.46Å; L17-R50 HydrophobicContact CD2-CB 4.08Å; L17-R50 HydrophobicContact CG-CB 3.86Å; E21-R50 IonicContact OE1-CZ 3.05Å; E21-R50 IonicContact OE1-NH1 3.62Å; E21-R50 PolarHBondContact OE1-NH1 2.93Å; E21-R50 IonicContact OE1-NH2 2.74Å; E21-R50 IonicContact OE2-CZ 2.95Å; E21-R50 IonicContact OE2-NH1 3.72Å; E21-R50 PolarHBondContact OE2-NH1 3.3Å; E21-R50 IonicContact OE2-NH2 3.52Å; E21-R50 PolarHBondContact OE2-NH2 2.83Å; K46-R50 WeakPolarHBondContact O-CG 3.37Å; K46-R50 PolarHBondContact O-N 3.46Å; K46-R50 VanDerWaalsContact O-N 3.14Å; I47-R50 PolarHBondContact O-N 3.14Å; L48-R50 VanDerWaalsContact C-N 3.33Å; L48-R50 PolarHBondContact O-N 3.41Å; R50-C53 WeakPolarHBondContact O-CB 3.49Å; R50-C53 PolarHBondContact O-N 2.98Å; R50-D54 PolarHBondContact O-N 2.78Å
51L98.3Very high94.9Very high2 Ų242.7 Ų42.71%0.0121%0.207CC..Hα-helixtrans-58.5-49.2174174.365.5000111.5L17 L22 I47 L48 I49 C53 D54 A55 T118 F121 C122 C125L17-L51 HydrophobicContact CD1-CB 3.66Å; L17-L51 HydrophobicContact CD1-CD1 4.21Å; L22-L51 HydrophobicContact CD1-CD1 3.76Å; I47-L51 WeakPolarHBondContact O-CB 3.37Å; I47-L51 PolarHBondContact O-N 2.8Å; L48-L51 WeakPolarHBondContact O-CB 3.36Å; L48-L51 PolarHBondContact O-N 3.35Å; I49-L51 PolarHBondContact O-N 2.84Å; L51-C53 VanDerWaalsContact C-N 3.3Å; L51-C53 PolarHBondContact O-N 2.98Å; L51-D54 PolarHBondContact O-N 3.42Å; L51-A55 PolarHBondContact O-N 3.18Å; L51-T118 HydrophobicContact CD2-CG2 3.68Å; L51-F121 HydrophobicContact CD1-CB 4.33Å; L51-F121 HydrophobicContact CD2-CB 4.18Å; L51-F121 HydrophobicContact CG-CB 4.16Å; L51-C122 VanDerWaalsContact CD2-SG 3.5Å; L51-C125 HydrophobicContact CD1-CB 4.33Å
52V98.4Very high95.6Very high0 Ų043.1 Ų43.10%021%0.208CC..Hα-helixtrans-62.6-40.3179.8175.30000110.8L48 I49 D54 A55 I56 F121 W168 Y169 A172L48-V52 VanDerWaalsContact O-CG2 3.27Å; L48-V52 WeakPolarHBondContact O-CG2 3.44Å; L48-V52 PolarHBondContact O-N 3.17Å; I49-V52 PolarHBondContact O-N 2.99Å; V52-D54 PolarHBondContact O-N 2.86Å; V52-A55 PolarHBondContact O-N 3.31Å; V52-I56 HydrophobicContact CG1-CD1 4.05Å; V52-I56 VanDerWaalsContact O-CG1 3.28Å; V52-I56 WeakPolarHBondContact O-CG1 3.22Å; V52-I56 PolarHBondContact O-N 2.89Å; V52-F121 HydrophobicContact CG2-CD2 4.27Å; V52-F121 HydrophobicContact CG2-CE2 4.36Å; V52-W168 HydrophobicContact CG1-CB 4.09Å; V52-W168 VanDerWaalsContact CG1-O 3.32Å; V52-W168 WeakPolarHBondContact CG1-O 3.44Å; V52-Y169 HydrophobicContact CG2-CD1 3.95Å; V52-Y169 HydrophobicContact CG2-CD2 3.87Å; V52-Y169 HydrophobicContact CG2-CE1 3.66Å; V52-Y169 HydrophobicContact CG2-CE2 3.58Å; V52-Y169 HydrophobicContact CG2-CG 4.05Å; V52-Y169 VanDerWaalsContact CG2-CZ 3.47Å; V52-A172 HydrophobicContact CG1-CB 3.73Å
53C98.2Very high96.4Very high0 Ų040 Ų400%019%0.188CC..Hα-helixtrans-60.4-44173.4-71.70000112.4L11 T14 I49 R50 L51 I56 R57 W168L11-C53 HydrophobicContact CD1-CB 3.61Å; T14-C53 HydrophobicContact CG2-CB 3.94Å; I49-C53 WeakPolarHBondContact O-CB 3.47Å; I49-C53 PolarHBondContact O-N 3.39Å; I49-C53 PolarHBondContact O-SG 3.25Å; R50-C53 WeakPolarHBondContact O-CB 3.49Å; R50-C53 PolarHBondContact O-N 2.98Å; L51-C53 VanDerWaalsContact C-N 3.3Å; L51-C53 PolarHBondContact O-N 2.98Å; C53-I56 PolarHBondContact O-N 2.65Å; C53-R57 WeakPolarHBondContact O-CG 3.27Å; C53-R57 PolarHBondContact O-N 3.1Å; C53-W168 VanDerWaalsContact SG-CZ3 3.56Å
54D98.3Very high97.1Very high23 Ų2338.4 Ų38.412%0.12318%0.182CC..Hα-helixtrans-65.4-39.4176.8-73.5-20.4000112.2P16 L17 R50 L51 V52 R57 I58P16-D54 WeakPolarHBondContact CA-OD1 3.28Å; P16-D54 WeakPolarHBondContact CB-OD1 3.29Å; L17-D54 WeakPolarHBondContact CB-OD2 3.2Å; L17-D54 PolarHBondContact N-OD2 2.89Å; R50-D54 PolarHBondContact O-N 2.78Å; L51-D54 PolarHBondContact O-N 3.42Å; V52-D54 PolarHBondContact O-N 2.86Å; D54-R57 PolarHBondContact O-N 3.41Å; D54-R57 IonicContact OD1-CZ 3.36Å; D54-R57 IonicContact OD1-NH1 2.8Å; D54-R57 PolarHBondContact OD1-NH1 3.06Å; D54-I58 WeakPolarHBondContact O-CG1 3.28Å; D54-I58 PolarHBondContact O-N 3.46Å
55A98.6Very high97.5Very high0 Ų034.2 Ų34.20%016%0.159CC..Hα-helixtrans-62.2-46.4174.300000111.2L51 V52 R57 I58 F59 F121 C125L51-A55 PolarHBondContact O-N 3.18Å; V52-A55 PolarHBondContact O-N 3.31Å; A55-R57 VanDerWaalsContact C-N 3.32Å; A55-R57 PolarHBondContact O-N 3.27Å; A55-I58 WeakPolarHBondContact O-CB 3.17Å; A55-I58 PolarHBondContact O-N 2.77Å; A55-I58 VanDerWaalsContact O-N 3.09Å; A55-F59 HydrophobicContact CB-CD2 4.43Å; A55-F59 HydrophobicContact CB-CE2 3.87Å; A55-F59 HydrophobicContact CB-CZ 4.47Å; A55-F59 WeakPolarHBondContact O-CD2 3.25Å; A55-F59 WeakPolarHBondContact O-CG 3.24Å; A55-F59 PolarHBondContact O-N 2.83Å; A55-F121 HydrophobicContact CB-CB 4.34Å; A55-F121 HydrophobicContact CB-CD1 4.47Å; A55-F121 HydrophobicContact CB-CD2 3.85Å; A55-F121 HydrophobicContact CB-CE2 4.23Å; A55-F121 HydrophobicContact CB-CG 3.98Å; A55-C125 PolarHBondContact N-SG 3.19Å; A55-C125 VanDerWaalsContact N-SG 3.43Å
56I98.4Very high97.8Very high0 Ų034.4 Ų34.40%016%0.16CC..Hα-helixtrans-54.6-47.7175.2-71162.4000111.1L11 V52 C53 I58 F59 Q60 W168 R171 A172 W175L11-I56 HydrophobicContact CD1-CB 4.18Å; L11-I56 HydrophobicContact CD1-CD1 4.37Å; L11-I56 HydrophobicContact CD1-CG2 4.16Å; L11-I56 HydrophobicContact CD2-CB 4.43Å; L11-I56 HydrophobicContact CD2-CG2 3.52Å; V52-I56 HydrophobicContact CG1-CD1 4.05Å; V52-I56 VanDerWaalsContact O-CG1 3.28Å; V52-I56 WeakPolarHBondContact O-CG1 3.22Å; V52-I56 PolarHBondContact O-N 2.89Å; C53-I56 PolarHBondContact O-N 2.65Å; I56-I58 PolarHBondContact O-N 3.12Å; I56-F59 PolarHBondContact O-N 3.47Å; I56-Q60 HydrophobicContact CG2-CG 4.08Å; I56-Q60 WeakPolarHBondContact O-CB 3.49Å; I56-Q60 VanDerWaalsContact O-CG 3.29Å; I56-Q60 WeakPolarHBondContact O-CG 3.39Å; I56-Q60 PolarHBondContact O-N 2.96Å; I56-W168 HydrophobicContact CD1-CE3 4.3Å; I56-W168 HydrophobicContact CD1-CZ3 4.41Å; I56-R171 HydrophobicContact CD1-CG 4.12Å; I56-A172 HydrophobicContact CD1-CB 4.05Å; I56-A172 HydrophobicContact CG1-CB 3.63Å; I56-W175 HydrophobicContact CG2-CG 4.21Å
57R97.8Very high98Very high51 Ų5131.4 Ų31.419%0.19215%0.151CC..Hα-helixtrans-61.9-29.1-179.6-70.8171.3-172135.4-1.7113.3L11 T14 C53 D54 A55 K61L11-R57 HydrophobicContact CD1-CG 4.39Å; L11-R57 PolarHBondContact O-NH2 2.76Å; T14-R57 PolarHBondContact O-NH1 3.09Å; T14-R57 PolarHBondContact O-NH2 2.85Å; C53-R57 WeakPolarHBondContact O-CG 3.27Å; C53-R57 PolarHBondContact O-N 3.1Å; D54-R57 PolarHBondContact O-N 3.41Å; D54-R57 IonicContact OD1-CZ 3.36Å; D54-R57 IonicContact OD1-NH1 2.8Å; D54-R57 PolarHBondContact OD1-NH1 3.06Å; A55-R57 VanDerWaalsContact C-N 3.32Å; A55-R57 PolarHBondContact O-N 3.27Å; R57-K61 WeakPolarHBondContact O-CD 3.34Å; R57-K61 WeakPolarHBondContact O-CG 3.45Å
58I98.4Very high98.1Very high32 Ų3230 Ų3016%0.16414%0.144CC..Hα-helixtrans-74-52.5173.9-67166.6000109.2D54 A55 I56 Q60 K61 E62 K124 C125 P128D54-I58 WeakPolarHBondContact O-CG1 3.28Å; D54-I58 PolarHBondContact O-N 3.46Å; A55-I58 WeakPolarHBondContact O-CB 3.17Å; A55-I58 PolarHBondContact O-N 2.77Å; A55-I58 VanDerWaalsContact O-N 3.09Å; I56-I58 PolarHBondContact O-N 3.12Å; I58-Q60 PolarHBondContact O-N 3.46Å; I58-K61 WeakPolarHBondContact O-CB 3.31Å; I58-K61 PolarHBondContact O-N 3.03Å; I58-E62 HydrophobicContact CG2-CG 4.48Å; I58-E62 PolarHBondContact O-N 2.92Å; I58-K124 HydrophobicContact CG2-CD 4.45Å; I58-K124 HydrophobicContact CG2-CG 4.43Å; I58-C125 HydrophobicContact CD1-CB 4.29Å; I58-P128 HydrophobicContact CD1-CB 4.48Å; I58-P128 HydrophobicContact CG2-CB 4.23Å
59F98.5Very high98.1Very high0 Ų035.6 Ų35.60%017%0.169CC..Hα-helixtrans-60.4-32.4-179-60.1-44.1000113.6A55 I56 K61 E62 F121 K124 L133 W175 L176 R208A55-F59 HydrophobicContact CB-CD2 4.43Å; A55-F59 HydrophobicContact CB-CE2 3.87Å; A55-F59 HydrophobicContact CB-CZ 4.47Å; A55-F59 WeakPolarHBondContact O-CD2 3.25Å; A55-F59 WeakPolarHBondContact O-CG 3.24Å; A55-F59 PolarHBondContact O-N 2.83Å; I56-F59 PolarHBondContact O-N 3.47Å; F59-K61 PolarHBondContact O-N 3.07Å; F59-E62 PolarHBondContact O-N 3.01Å; F59-F121 AromaticContact CE2-CE1 3.95Å; F59-F121 HydrophobicContact CE2-CE1 3.95Å; F59-F121 HydrophobicContact CE2-CZ 4.14Å; F59-F121 HydrophobicContact CZ-CD1 4.37Å; F59-F121 AromaticContact CZ-CE1 4Å; F59-F121 HydrophobicContact CZ-CE1 4Å; F59-K124 HydrophobicContact CE1-CD 4.25Å; F59-K124 HydrophobicContact CE1-CG 3.9Å; F59-K124 HydrophobicContact CZ-CG 4.1Å; F59-L133 HydrophobicContact CE1-CB 4.43Å; F59-L133 HydrophobicContact CZ-CD1 4.13Å; F59-W175 HydrophobicContact CB-CB 3.85Å; F59-W175 WeakPolarHBondContact CB-O 3.34Å; F59-L176 HydrophobicContact CD1-CD2 4.26Å; F59-L176 HydrophobicContact CD2-CD2 4.22Å; F59-L176 HydrophobicContact CE1-CD2 3.77Å; F59-L176 HydrophobicContact CE2-CD2 3.73Å; F59-L176 HydrophobicContact CG-CD2 4.48Å; F59-L176 HydrophobicContact CZ-CD2 3.49Å; F59-L176 VanDerWaalsContact CZ-CD2 3.49Å; F59-R208 PolarHBondContact O-NH1 3.35Å
60Q97.3Very high98.2Very high77 Ų7734.8 Ų34.836%0.3617%0.165SC..THydrogen-bonded Turntrans-60.7-29.7173.2-81.1179.3-27.600113.6I56 I58 W175I56-Q60 HydrophobicContact CG2-CG 4.08Å; I56-Q60 WeakPolarHBondContact O-CB 3.49Å; I56-Q60 VanDerWaalsContact O-CG 3.29Å; I56-Q60 WeakPolarHBondContact O-CG 3.39Å; I56-Q60 PolarHBondContact O-N 2.96Å; I58-Q60 PolarHBondContact O-N 3.46Å; Q60-W175 HydrophobicContact CB-CE3 4.4Å; Q60-W175 HydrophobicContact CB-CZ3 4.39Å; Q60-W175 HydrophobicContact CG-CD2 3.64Å; Q60-W175 HydrophobicContact CG-CE3 3.59Å; Q60-W175 HydrophobicContact CG-CG 4.36Å; Q60-W175 HydrophobicContact CG-CH2 3.73Å; Q60-W175 HydrophobicContact CG-CZ2 3.79Å; Q60-W175 HydrophobicContact CG-CZ3 3.65Å
61K97.4Very high98.2Very high179 Ų17935.6 Ų35.678%0.77818%0.176SC*.THydrogen-bonded Turntrans-90.2-25.3-179.8-64.6171.3-174.71770112.4R57 I58 F59R57-K61 WeakPolarHBondContact O-CD 3.34Å; R57-K61 WeakPolarHBondContact O-CG 3.45Å; I58-K61 WeakPolarHBondContact O-CB 3.31Å; I58-K61 PolarHBondContact O-N 3.03Å; F59-K61 PolarHBondContact O-N 3.07Å
62E97.8Very high98.2Very high26 Ų2635.6 Ų35.612%0.12118%0.176CC..SBendtrans-71.5154.5176.2-69.2-176160.300110.7I58 F59 L66 K124 R208I58-E62 HydrophobicContact CG2-CG 4.48Å; I58-E62 PolarHBondContact O-N 2.92Å; F59-E62 PolarHBondContact O-N 3.01Å; E62-L66 HydrophobicContact CB-CD2 3.93Å; E62-L66 HydrophobicContact CG-CD2 4.36Å; E62-K124 WeakPolarHBondContact OE1-CE 3.2Å; E62-K124 IonicContact OE1-NZ 3.65Å; E62-K124 PolarHBondContact OE1-NZ 2.94Å; E62-K124 WeakPolarHBondContact OE2-CE 3.4Å; E62-K124 IonicContact OE2-NZ 2.7Å; E62-K124 PolarHBondContact OE2-NZ 2.76Å; E62-R208 PolarHBondContact O-NH2 2.61Å
63P97.6Very high98.2Very high54 Ų5437 Ų3735%0.35118%0.181SC..  trans-75.3164.5170.432-36.7000111.9L65 L66 R208P63-L65 VanDerWaalsContact C-N 3.29Å; P63-L65 WeakPolarHBondContact CB-O 3.39Å; P63-L65 WeakPolarHBondContact CG-O 3.28Å; P63-L66 HydrophobicContact CG-CD2 4.23Å; P63-R208 PolarHBondContact O-NH2 2.69Å
64T98.4Very high98.3Very high6 Ų637 Ų374%0.03718%0.181CC..SBendtrans-71.7-28.4176.3-55.10000112.2V178 A179 W206 R208T64-V178 HydrophobicContact CG2-CB 4.48Å; T64-V178 HydrophobicContact CG2-CG1 3.84Å; T64-V178 PolarHBondContact O-N 3.22Å; T64-A179 PolarHBondContact O-N 3.33Å; T64-W206 WeakPolarHBondContact CB-O 3.07Å; T64-W206 HydrophobicContact CG2-CB 3.98Å; T64-W206 PolarHBondContact OG1-O 2.84Å; T64-R208 HydrophobicContact CG2-CG 4.45Å; T64-R208 VanDerWaalsContact N-NH2 3.19Å; T64-R208 PolarHBondContact OG1-NE 3.35Å
65L98.8Very high98.3Very high0 Ų035.9 Ų35.90%018%0.175CC..EExtended strand (participates in β ladder)trans-108.2112.9166.4174.567.7000108.9P63 A179 L181 L187 I200 I203 R204P63-L65 VanDerWaalsContact C-N 3.29Å; P63-L65 WeakPolarHBondContact CB-O 3.39Å; P63-L65 WeakPolarHBondContact CG-O 3.28Å; L65-A179 WeakPolarHBondContact CA-O 3.32Å; L65-A179 HydrophobicContact CD1-CB 3.56Å; L65-L181 HydrophobicContact CD1-CB 4.23Å; L65-L187 HydrophobicContact CD1-CD1 4.02Å; L65-I200 HydrophobicContact CD2-CG2 3.23Å; L65-I203 HydrophobicContact CB-CG2 4.17Å; L65-R204 HydrophobicContact CB-CB 4.15Å; L65-R204 HydrophobicContact CD2-CB 4.17Å
66L98.7Very high98.3Very high6 Ų635.9 Ų35.93%0.03118%0.175CC..EExtended strand (participates in β ladder)trans-77.1130.1177.8-60.4176.2000111E62 P63 V68 F132 L134 P177 A179 A180 L181E62-L66 HydrophobicContact CB-CD2 3.93Å; E62-L66 HydrophobicContact CG-CD2 4.36Å; P63-L66 HydrophobicContact CG-CD2 4.23Å; L66-V68 HydrophobicContact CB-CG2 3.91Å; L66-F132 HydrophobicContact CD1-CB 3.89Å; L66-F132 HydrophobicContact CD1-CD1 4.05Å; L66-F132 HydrophobicContact CD1-CG 4.4Å; L66-L134 HydrophobicContact CD1-CD2 3.87Å; L66-L134 HydrophobicContact CG-CD2 4.48Å; L66-P177 HydrophobicContact CD1-CB 4Å; L66-P177 HydrophobicContact CD1-CG 3.97Å; L66-P177 HydrophobicContact CD2-CB 4.09Å; L66-P177 HydrophobicContact CD2-CG 3.75Å; L66-P177 HydrophobicContact CG-CB 3.72Å; L66-P177 HydrophobicContact CG-CG 3.86Å; L66-A179 PolarHBondContact N-O 3Å; L66-A180 HydrophobicContact CB-CB 4.01Å; L66-A180 CarbonylContact O-C 3.43Å; L66-A180 VanDerWaalsContact O-CA 3.22Å; L66-A180 WeakPolarHBondContact O-CA 3.48Å; L66-L181 PolarHBondContact O-N 2.54Å
67D98.4Very high98.3Very high93 Ų9336 Ų3650%0.49718%0.176SC..EExtended strand (participates in β ladder)trans-90.3117.1165.9-60.7-69.6000109R204D67-R204 IonicContact OD1-CZ 3.79Å; D67-R204 IonicContact OD1-NH1 2.76Å; D67-R204 IonicContact OD1-NH2 3.66Å; D67-R204 PolarHBondContact OD1-NH2 3.08Å; D67-R204 IonicContact OD2-CZ 3.48Å; D67-R204 IonicContact OD2-NH1 2.78Å; D67-R204 PolarHBondContact OD2-NH1 3.39Å; D67-R204 IonicContact OD2-NH2 3.76Å; D67-R204 PolarHBondContact OD2-NH2 2.66Å
68V98.2Very high98.4Very high2 Ų233.7 Ų33.71%0.01217%0.167CC..EExtended strand (participates in β ladder)trans-122.7134.6-173.5-167.60000110L66 L72 F132 A180 L181 I182 D183L66-V68 HydrophobicContact CB-CG2 3.91Å; V68-L72 HydrophobicContact CB-CD1 4.49Å; V68-L72 HydrophobicContact CG1-CD1 3.59Å; V68-F132 HydrophobicContact CG1-CD2 3.8Å; V68-F132 HydrophobicContact CG1-CE2 3.57Å; V68-F132 HydrophobicContact CG1-CG 4.41Å; V68-F132 HydrophobicContact CG1-CZ 3.98Å; V68-F132 HydrophobicContact CG2-CD1 4.15Å; V68-F132 HydrophobicContact CG2-CD2 4.34Å; V68-F132 HydrophobicContact CG2-CE1 4.36Å; V68-F132 HydrophobicContact CG2-CG 4.14Å; V68-A180 HydrophobicContact CG2-CB 4.03Å; V68-L181 PolarHBondContact N-O 2.95Å; V68-I182 CarbonylContact O-C 3.51Å; V68-I182 VanDerWaalsContact O-CA 3.24Å; V68-I182 WeakPolarHBondContact O-CA 3.44Å; V68-D183 PolarHBondContact O-N 3.25Å
69K98.2Very high98.3Very high121 Ų12132.3 Ų32.353%0.52616%0.16SC..PPolyproline II helixtrans-96149.5174.5-63.6-58.8-170.8-178.50111.7R99 D183K69-R99 PolarHBondContact O-NH1 3.15Å; K69-R99 PolarHBondContact O-NH2 3.26Å; K69-D183 WeakPolarHBondContact CD-OD1 3.39Å; K69-D183 WeakPolarHBondContact CE-OD1 2.87Å; K69-D183 IonicContact NZ-OD1 3.22Å; K69-D183 PolarHBondContact NZ-OD1 2.72Å
70P98.3Very high98.2Very high19 Ų1932.4 Ų32.412%0.12316%0.161CC..SBendtrans-67.4169.4163.429.6-35.3000112.2L72 R99 V302 S303 M306P70-L72 HydrophobicContact CB-CD2 4.27Å; P70-R99 PolarHBondContact O-NH1 3.14Å; P70-V302 HydrophobicContact CB-CG1 4.25Å; P70-S303 WeakPolarHBondContact CB-O 3.36Å; P70-M306 HydrophobicContact CG-SD 3.93Å
71P98.3Very high98.1Very high56 Ų5629.9 Ų29.936%0.36415%0.149SC..SBendcis-76147.9-9.833.3-30.5000110.7R99 V302 E304P71-R99 PolarHBondContact O-NH1 2.87Å; P71-V302 VanDerWaalsContact CA-O 3.24Å; P71-V302 WeakPolarHBondContact CA-O 3.46Å; P71-E304 HydrophobicContact CB-CG 4.22Å; P71-E304 HydrophobicContact CG-CG 3.99Å
72L98.7Very high97.9Very high2 Ų221.4 Ų21.41%0.0111%0.112CC..EExtended strand (participates in β ladder)trans-160.3164.6176.276.6167.3000111.9V68 P70 V74 R99 L101 I182 V302V68-L72 HydrophobicContact CB-CD1 4.49Å; V68-L72 HydrophobicContact CG1-CD1 3.59Å; P70-L72 HydrophobicContact CB-CD2 4.27Å; L72-V74 HydrophobicContact CD1-CG2 4.43Å; L72-V74 HydrophobicContact CG-CG2 4.38Å; L72-R99 CarbonylContact C-O 3.55Å; L72-R99 WeakPolarHBondContact CA-O 3.19Å; L72-R99 HydrophobicContact CB-CB 3.93Å; L72-L101 HydrophobicContact CD1-CB 3.81Å; L72-I182 HydrophobicContact CD1-CD1 4.24Å; L72-I182 HydrophobicContact CD1-CG1 4.48Å; L72-I182 HydrophobicContact CD2-CD1 4.27Å; L72-I182 HydrophobicContact CD2-CG2 3.77Å; L72-V302 HydrophobicContact CD2-CB 3.88Å; L72-V302 HydrophobicContact CD2-CG2 4.33Å; L72-V302 PolarHBondContact N-O 3.24Å; L72-V302 VanDerWaalsContact N-O 3.12Å; L72-V302 PolarHBondContact O-N 2.87Å
73R98.7Very high97.7Very high29 Ų2921.8 Ų21.811%0.10912%0.117CC..EExtended strand (participates in β ladder)trans-108.7135.5172.7-60.8176.3-176.9-93.98109.7C92 E98 R99 Y100 L101 M300 T301R73-C92 VanDerWaalsContact CZ-O 3.26Å; R73-C92 PolarHBondContact NE-O 3.22Å; R73-C92 PolarHBondContact NH2-O 2.67Å; R73-E98 IonicContact CZ-OE2 2.73Å; R73-E98 IonicContact NE-OE2 2.95Å; R73-E98 PolarHBondContact NE-OE2 3.44Å; R73-E98 IonicContact NH2-OE2 3.22Å; R73-R99 PolarHBondContact N-O 3.32Å; R73-Y100 HydrophobicContact CB-CD1 3.69Å; R73-Y100 HydrophobicContact CB-CE1 3.68Å; R73-Y100 HydrophobicContact CG-CE1 4.24Å; R73-Y100 CarbonylContact O-C 3.2Å; R73-Y100 VanDerWaalsContact O-CA 3.28Å; R73-Y100 WeakPolarHBondContact O-CA 3.09Å; R73-L101 PolarHBondContact O-N 2.93Å; R73-M300 CarbonylContact C-O 3.58Å; R73-M300 WeakPolarHBondContact CA-O 3.41Å; R73-T301 HydrophobicContact CG-CG2 4.45Å; R73-T301 PolarHBondContact NH1-OG1 3.14Å
74V98.9Very high97.4Very high0 Ų019.7 Ų19.70%010%0.102CC..EExtended strand (participates in β ladder)trans-111.9127.2-180-170.90000108.6L72 L101 M103 I182 V262 L283 M299 M300 V302L72-V74 HydrophobicContact CD1-CG2 4.43Å; L72-V74 HydrophobicContact CG-CG2 4.38Å; V74-L101 CarbonylContact C-O 3.58Å; V74-L101 VanDerWaalsContact CA-O 3.27Å; V74-L101 WeakPolarHBondContact CA-O 3.46Å; V74-L101 HydrophobicContact CG1-CD2 4.17Å; V74-L101 HydrophobicContact CG1-CG 4.38Å; V74-L101 HydrophobicContact CG2-CB 4.4Å; V74-L101 HydrophobicContact CG2-CD2 4.3Å; V74-M103 HydrophobicContact CG1-CE 4.05Å; V74-M103 HydrophobicContact CG1-CG 3.95Å; V74-M103 HydrophobicContact CG1-SD 3.81Å; V74-I182 HydrophobicContact CG2-CD1 3.8Å; V74-V262 HydrophobicContact CG1-CG1 4.3Å; V74-L283 HydrophobicContact CB-CD1 4.22Å; V74-L283 HydrophobicContact CG1-CD1 4.06Å; V74-M299 CarbonylContact O-C 3.6Å; V74-M299 WeakPolarHBondContact O-CA 3.47Å; V74-M300 HydrophobicContact CB-CB 4.37Å; V74-M300 HydrophobicContact CB-CE 3.91Å; V74-M300 HydrophobicContact CG1-CE 4.47Å; V74-M300 HydrophobicContact CG2-CE 3.63Å; V74-M300 PolarHBondContact N-O 3.22Å; V74-M300 PolarHBondContact O-N 3.06Å; V74-V302 HydrophobicContact CG2-CG2 4.33Å
75A98.8Very high97.3Very high0 Ų019.4 Ų19.40%010%0.101CC..EExtended strand (participates in β ladder)trans-121.8141.9-177.400000110.7L101 F102 M103 S285 M299A75-L101 PolarHBondContact N-O 2.78Å; A75-F102 HydrophobicContact CB-CD1 3.52Å; A75-F102 HydrophobicContact CB-CE1 3.79Å; A75-F102 HydrophobicContact CB-CG 4.24Å; A75-M103 WeakPolarHBondContact O-CB 3.22Å; A75-M103 WeakPolarHBondContact O-CG 3.46Å; A75-M103 PolarHBondContact O-N 3.5Å; A75-S285 WeakPolarHBondContact CA-OG 3.43Å; A75-M299 HydrophobicContact CB-CE 3.63Å; A75-M299 HydrophobicContact CB-CG 3.95Å; A75-M299 HydrophobicContact CB-SD 4.14Å
76G98.8Very high97.1Very high0 Ų019.7 Ų19.70%010%0.102CC..  trans-87.5-147.5169.900000111.7S285G76-S285 PolarHBondContact N-OG 3Å
77D98.8Very high96.9Very high2 Ų221.8 Ų21.81%0.01111%0.11CC..BIsolated β-bridgetrans-59.9144.3-173.3-53.921.1000112.6H79 D105 H190 A264 H265 F284 S285 A286D77-H79 IonicContact OD2-CD2 3.22Å; D77-H79 IonicContact OD2-NE2 2.72Å; D77-D105 HydrophobicContact CB-CB 4.03Å; D77-H190 IonicContact OD1-CE1 3.47Å; D77-H190 PolarHBondContact OD1-CE1 3.46Å; D77-H190 IonicContact OD1-ND1 3.79Å; D77-A264 WeakPolarHBondContact OD1-CB 3.16Å; D77-H265 PolarHBondContact OD1-N 3.44Å; D77-F284 HydrophobicContact CB-CD2 3.9Å; D77-F284 HydrophobicContact CB-CE2 3.57Å; D77-F284 HydrophobicContact CB-CZ 3.9Å; D77-F284 WeakPolarHBondContact OD2-CE2 3.43Å; D77-S285 CarbonylContact O-C 3.59Å; D77-S285 VanDerWaalsContact O-C 3.26Å; D77-S285 WeakPolarHBondContact O-CA 3.43Å; D77-S285 WeakPolarHBondContact O-CB 3.25Å; D77-S285 PolarHBondContact O-N 3.09Å; D77-A286 PolarHBondContact O-N 3.5Å
78L98.4Very high96.8Very high3 Ų317.4 Ų17.42%0.0169%0.086CC..  trans-120.1-34.8176.7-65.7176.4000112.8G80 Q81 L85 F102 D105 Y106 V116 L120L78-G80 PolarHBondContact O-N 2.81Å; L78-Q81 WeakPolarHBondContact O-CB 3.31Å; L78-Q81 WeakPolarHBondContact O-CG 3.21Å; L78-Q81 PolarHBondContact O-N 3.14Å; L78-L85 HydrophobicContact CD1-CD1 3.93Å; L78-L85 HydrophobicContact CD1-CD2 4.47Å; L78-L85 HydrophobicContact CD2-CD1 4.31Å; L78-F102 HydrophobicContact CD1-CD1 3.83Å; L78-F102 HydrophobicContact CD1-CE1 3.9Å; L78-F102 HydrophobicContact CG-CD1 4.46Å; L78-D105 PolarHBondContact N-O 2.88Å; L78-Y106 HydrophobicContact CD1-CD1 4.36Å; L78-V116 HydrophobicContact CB-CG1 4.23Å; L78-V116 HydrophobicContact CD1-CG1 3.9Å; L78-L120 HydrophobicContact CD1-CD1 3.94Å
79H97.8Very high96.7Very high4 Ų417.3 Ų17.32%0.0199%0.086CC..THydrogen-bonded Turntrans43.556.9173.7-81.2-57.6000114.4D77 Q81 D105 V107 D108 R109 G110 H138 Y289D77-H79 IonicContact OD2-CD2 3.22Å; D77-H79 IonicContact OD2-NE2 2.72Å; H79-Q81 PolarHBondContact O-N 3.4Å; H79-D105 IonicContact CE1-OD2 3.71Å; H79-D105 PolarHBondContact CE1-OD2 3.11Å; H79-D105 PolarHBondContact N-O 3.11Å; H79-D105 IonicContact NE2-OD2 3.74Å; H79-D105 PolarHBondContact NE2-OD2 3.39Å; H79-V107 PolarHBondContact ND1-O 3Å; H79-D108 CarbonylContact C-O 3.54Å; H79-D108 WeakPolarHBondContact CA-O 3.39Å; H79-D108 WeakPolarHBondContact CB-O 3.34Å; H79-D108 PolarHBondContact ND1-O 3Å; H79-R109 HydrophobicContact CB-CB 4.25Å; H79-G110 WeakPolarHBondContact O-CA 3.13Å; H79-G110 PolarHBondContact O-N 3.06Å; H79-H138 AromaticContact CE1-CD2 3.53Å; H79-H138 AromaticContact CE1-CG 3.73Å; H79-H138 AromaticContact CE1-NE2 3.74Å; H79-Y289 HydrophobicContact CB-CD2 4.45Å; H79-Y289 HydrophobicContact CB-CE2 3.78Å; H79-Y289 AromaticContact CD2-CE2 3.19Å; H79-Y289 WeakPolarHBondContact CD2-CE2 3.39Å; H79-Y289 AromaticContact CD2-CZ 3.64Å; H79-Y289 PolarHBondContact CD2-OH 3.49Å; H79-Y289 AromaticContact CG-CE2 3.65Å; H79-Y289 AromaticContact NE2-CE2 3.89Å; H79-Y289 AromaticContact NE2-CZ 3.84Å; H79-Y289 PolarHBondContact NE2-OH 3.14Å; H79-Y289 VanDerWaalsContact NE2-OH 3.14Å
80G95.9Very high96.5Very high2 Ų214.3 Ų14.32%0.0218%0.075CC..THydrogen-bonded Turntrans59.916.6176.400000116.1L78 F82 Y106 E112L78-G80 PolarHBondContact O-N 2.81Å; G80-F82 PolarHBondContact O-N 2.65Å; G80-Y106 PolarHBondContact N-O 3.15Å; G80-E112 CarbonylContact O-C 3.59Å; G80-E112 WeakPolarHBondContact O-CA 3.49Å; G80-E112 WeakPolarHBondContact O-CB 3.11Å; G80-E112 PolarHBondContact O-N 3.36Å
81Q94.6Very high96.3Very high23 Ų2318.2 Ų18.211%0.1079%0.092CC..  trans-83.467.8173.5-58.2-159.7131.600110.6L78 H79 T83 D84 L85 A286 P287 K320L78-Q81 WeakPolarHBondContact O-CB 3.31Å; L78-Q81 WeakPolarHBondContact O-CG 3.21Å; L78-Q81 PolarHBondContact O-N 3.14Å; H79-Q81 PolarHBondContact O-N 3.4Å; Q81-T83 VanDerWaalsContact C-N 3.32Å; Q81-T83 PolarHBondContact O-N 3.1Å; Q81-D84 HydrophobicContact CB-CB 4.04Å; Q81-D84 PolarHBondContact NE2-OD2 3.47Å; Q81-D84 VanDerWaalsContact NE2-OD2 3.12Å; Q81-D84 WeakPolarHBondContact O-CB 3.49Å; Q81-D84 PolarHBondContact O-N 3.27Å; Q81-L85 PolarHBondContact O-N 2.92Å; Q81-A286 HydrophobicContact CG-CB 4.49Å; Q81-A286 VanDerWaalsContact NE2-CA 3.27Å; Q81-P287 PolarHBondContact NE2-O 3.19Å; Q81-P287 PolarHBondContact OE1-O 3.5Å; Q81-K320 VanDerWaalsContact CD-NZ 3.32Å
82F94.6Very high96.2Very high1 Ų115.9 Ų15.90%0.0048%0.077CC..Hα-helixtrans-58.9-39.9-173-179-118.7000113.8L29 R32 G80 D84 L85 L86 E112 E115 V116 L119L29-F82 HydrophobicContact CB-CZ 4.09Å; L29-F82 HydrophobicContact CD2-CZ 4.28Å; R32-F82 HydrophobicContact CB-CE1 3.96Å; R32-F82 HydrophobicContact CG-CE1 4.5Å; G80-F82 PolarHBondContact O-N 2.65Å; F82-D84 VanDerWaalsContact C-N 3.27Å; F82-D84 PolarHBondContact O-N 3.5Å; F82-L85 HydrophobicContact CD2-CD2 4.37Å; F82-L85 WeakPolarHBondContact O-CB 3.4Å; F82-L85 PolarHBondContact O-N 3.38Å; F82-L86 HydrophobicContact CD1-CD1 4.32Å; F82-L86 HydrophobicContact CE1-CD1 3.76Å; F82-L86 HydrophobicContact CE1-CG 4.23Å; F82-L86 HydrophobicContact CE2-CD2 4.16Å; F82-L86 HydrophobicContact CE2-CG 4.3Å; F82-L86 HydrophobicContact CZ-CD1 3.93Å; F82-L86 HydrophobicContact CZ-CD2 3.96Å; F82-L86 HydrophobicContact CZ-CG 4.04Å; F82-L86 PolarHBondContact O-N 2.86Å; F82-E112 HydrophobicContact CB-CB 3.49Å; F82-E112 VanDerWaalsContact CB-CB 3.49Å; F82-E112 HydrophobicContact CB-CG 4.35Å; F82-E112 HydrophobicContact CG-CB 4.48Å; F82-E115 HydrophobicContact CB-CB 3.93Å; F82-E115 HydrophobicContact CD1-CB 3.68Å; F82-E115 HydrophobicContact CD1-CG 4.07Å; F82-E115 HydrophobicContact CD2-CB 3.56Å; F82-E115 HydrophobicContact CE1-CB 4.02Å; F82-E115 HydrophobicContact CE1-CG 4.31Å; F82-E115 HydrophobicContact CE2-CB 3.91Å; F82-E115 HydrophobicContact CG-CB 3.43Å; F82-E115 VanDerWaalsContact CG-CB 3.43Å; F82-E115 HydrophobicContact CG-CG 4.3Å; F82-E115 HydrophobicContact CZ-CB 4.14Å; F82-V116 HydrophobicContact CB-CG2 3.86Å; F82-V116 HydrophobicContact CD2-CG2 4.17Å; F82-L119 HydrophobicContact CE2-CB 4.12Å; F82-L119 HydrophobicContact CE2-CD2 3.72Å; F82-L119 HydrophobicContact CZ-CD2 4.33Å
83T92Very high96.1Very high35 Ų3516.8 Ų16.822%0.2159%0.087CC..Hα-helixtrans-60.4-38.8175.7-600000111.6Q81 L86 R87Q81-T83 VanDerWaalsContact C-N 3.32Å; Q81-T83 PolarHBondContact O-N 3.1Å; T83-L86 PolarHBondContact O-N 2.87Å; T83-R87 WeakPolarHBondContact O-CG 3.43Å; T83-R87 PolarHBondContact O-N 2.96Å
84D92.8Very high96Very high9 Ų917.7 Ų17.75%0.0489%0.091CC..Hα-helixtrans-71.5-34.5176.5-66-46000112Q81 F82 L86 R87 W88 P287 K320Q81-D84 HydrophobicContact CB-CB 4.04Å; Q81-D84 PolarHBondContact NE2-OD2 3.47Å; Q81-D84 VanDerWaalsContact NE2-OD2 3.12Å; Q81-D84 WeakPolarHBondContact O-CB 3.49Å; Q81-D84 PolarHBondContact O-N 3.27Å; F82-D84 VanDerWaalsContact C-N 3.27Å; F82-D84 PolarHBondContact O-N 3.5Å; D84-L86 VanDerWaalsContact C-N 3.32Å; D84-L86 PolarHBondContact O-N 3.08Å; D84-R87 WeakPolarHBondContact O-CB 3.41Å; D84-R87 PolarHBondContact O-N 3.48Å; D84-R87 IonicContact OD1-CZ 3.99Å; D84-R87 IonicContact OD1-NH1 3.27Å; D84-R87 PolarHBondContact OD1-NH1 3Å; D84-W88 PolarHBondContact O-N 3.35Å; D84-P287 HydrophobicContact CB-CG 4.05Å; D84-P287 VanDerWaalsContact CG-CG 3.47Å; D84-K320 WeakPolarHBondContact OD2-CE 3.33Å; D84-K320 IonicContact OD2-NZ 3.5Å; D84-K320 PolarHBondContact OD2-NZ 3Å
85L95.9Very high95.9Very high0 Ų018 Ų180%09%0.093CC..Hα-helixtrans-59.3-42.5170.7177.361.8000111.8L78 Q81 F82 W88 F89 F102 V116 L119 L120L78-L85 HydrophobicContact CD1-CD1 3.93Å; L78-L85 HydrophobicContact CD1-CD2 4.47Å; L78-L85 HydrophobicContact CD2-CD1 4.31Å; Q81-L85 PolarHBondContact O-N 2.92Å; F82-L85 HydrophobicContact CD2-CD2 4.37Å; F82-L85 WeakPolarHBondContact O-CB 3.4Å; F82-L85 PolarHBondContact O-N 3.38Å; L85-W88 WeakPolarHBondContact O-CB 3.35Å; L85-W88 PolarHBondContact O-N 2.77Å; L85-F89 HydrophobicContact CD1-CD2 4.24Å; L85-F89 HydrophobicContact CD1-CE1 4.44Å; L85-F89 HydrophobicContact CD1-CE2 3.59Å; L85-F89 HydrophobicContact CD1-CZ 3.71Å; L85-F89 HydrophobicContact CD2-CE2 4.18Å; L85-F89 HydrophobicContact CG-CD2 4.18Å; L85-F89 HydrophobicContact CG-CE2 3.68Å; L85-F89 HydrophobicContact CG-CZ 4.31Å; L85-F89 WeakPolarHBondContact O-CD2 3.23Å; L85-F89 PolarHBondContact O-N 3.4Å; L85-F89 VanDerWaalsContact O-N 3.11Å; L85-F102 HydrophobicContact CD1-CE1 4.05Å; L85-F102 HydrophobicContact CD1-CZ 4.25Å; L85-V116 HydrophobicContact CD2-CB 4.4Å; L85-V116 HydrophobicContact CD2-CG1 4.15Å; L85-V116 HydrophobicContact CD2-CG2 4.28Å; L85-L119 HydrophobicContact CD2-CD2 4.2Å; L85-L120 HydrophobicContact CD1-CD2 4.48Å; L85-L120 HydrophobicContact CD2-CD2 4.33Å; L85-L120 HydrophobicContact CD2-CG 4.37Å
86L94.3Very high95.8Very high6 Ų620.1 Ų20.13%0.03111%0.108CC..Hα-helixtrans-65.8-40175.4-63.6-177.2000111.8L30 R33 F82 T83 D84 W88 F89 D90 L119L30-L86 HydrophobicContact CD2-CD2 3.76Å; R33-L86 HydrophobicContact CB-CD1 4.13Å; F82-L86 HydrophobicContact CD1-CD1 4.32Å; F82-L86 HydrophobicContact CE1-CD1 3.76Å; F82-L86 HydrophobicContact CE1-CG 4.23Å; F82-L86 HydrophobicContact CE2-CD2 4.16Å; F82-L86 HydrophobicContact CE2-CG 4.3Å; F82-L86 HydrophobicContact CZ-CD1 3.93Å; F82-L86 HydrophobicContact CZ-CD2 3.96Å; F82-L86 HydrophobicContact CZ-CG 4.04Å; F82-L86 PolarHBondContact O-N 2.86Å; T83-L86 PolarHBondContact O-N 2.87Å; D84-L86 VanDerWaalsContact C-N 3.32Å; D84-L86 PolarHBondContact O-N 3.08Å; L86-W88 VanDerWaalsContact C-N 3.29Å; L86-W88 PolarHBondContact O-N 2.78Å; L86-F89 PolarHBondContact O-N 3.49Å; L86-D90 VanDerWaalsContact O-CG 3.32Å; L86-D90 PolarHBondContact O-N 3.3Å; L86-L119 HydrophobicContact CD2-CD2 3.9Å
87R93.7Very high95.7Very high51 Ų5127 Ų2719%0.19214%0.139CC..Hα-helixtrans-60.8-39174.5-70.1170.466.6-156.22.7111.7T83 D84 D90 H91 L313 R314T83-R87 WeakPolarHBondContact O-CG 3.43Å; T83-R87 PolarHBondContact O-N 2.96Å; D84-R87 WeakPolarHBondContact O-CB 3.41Å; D84-R87 PolarHBondContact O-N 3.48Å; D84-R87 IonicContact OD1-CZ 3.99Å; D84-R87 IonicContact OD1-NH1 3.27Å; D84-R87 PolarHBondContact OD1-NH1 3Å; R87-D90 WeakPolarHBondContact O-CB 3.49Å; R87-D90 PolarHBondContact O-N 2.76Å; R87-H91 WeakPolarHBondContact O-CB 3.13Å; R87-H91 PolarHBondContact O-N 2.91Å; R87-L313 HydrophobicContact CB-CD1 3.92Å; R87-L313 VanDerWaalsContact CZ-CD2 3.41Å; R87-R314 PolarHBondContact NH2-O 2.94Å; R87-R314 VanDerWaalsContact NH2-O 3.14Å
88W96.3Very high95.6Very high0 Ų029.8 Ų29.80%015%0.152CC..Hα-helixtrans-61.3-47.7173.6-82122.5000112.3D84 L85 L86 D90 H91 C92 S285 G297 M299 E311 L313D84-W88 PolarHBondContact O-N 3.35Å; L85-W88 WeakPolarHBondContact O-CB 3.35Å; L85-W88 PolarHBondContact O-N 2.77Å; L86-W88 VanDerWaalsContact C-N 3.29Å; L86-W88 PolarHBondContact O-N 2.78Å; W88-D90 VanDerWaalsContact C-N 3.29Å; W88-D90 PolarHBondContact O-N 2.66Å; W88-H91 PolarHBondContact O-N 3.1Å; W88-C92 VanDerWaalsContact O-CB 3.26Å; W88-C92 WeakPolarHBondContact O-CB 3.29Å; W88-C92 PolarHBondContact O-N 3.46Å; W88-S285 PolarHBondContact NE1-O 3.18Å; W88-G297 VanDerWaalsContact CZ2-C 3.46Å; W88-M299 HydrophobicContact CB-CE 3.54Å; W88-M299 HydrophobicContact CB-SD 4.36Å; W88-M299 HydrophobicContact CD2-CE 3.64Å; W88-M299 HydrophobicContact CD2-CG 4.04Å; W88-M299 HydrophobicContact CD2-SD 3.95Å; W88-M299 HydrophobicContact CE3-CB 4.48Å; W88-M299 HydrophobicContact CE3-CE 4.15Å; W88-M299 HydrophobicContact CE3-CG 3.9Å; W88-M299 HydrophobicContact CE3-SD 3.82Å; W88-M299 HydrophobicContact CG-CE 3.36Å; W88-M299 HydrophobicContact CG-SD 4.22Å; W88-M299 HydrophobicContact CH2-CB 4.4Å; W88-M299 HydrophobicContact CH2-CG 4.16Å; W88-M299 HydrophobicContact CZ2-CG 4.27Å; W88-M299 HydrophobicContact CZ3-CB 4.16Å; W88-M299 HydrophobicContact CZ3-CG 3.97Å; W88-M299 HydrophobicContact CZ3-SD 4.43Å; W88-E311 WeakPolarHBondContact CH2-O 3.49Å; W88-E311 HydrophobicContact CZ3-CB 4.03Å; W88-L313 HydrophobicContact CD2-CB 4.41Å; W88-L313 HydrophobicContact CD2-CD1 4.33Å; W88-L313 HydrophobicContact CE3-CB 4.4Å; W88-L313 HydrophobicContact CE3-CD1 4.37Å; W88-L313 HydrophobicContact CH2-CB 3.44Å; W88-L313 VanDerWaalsContact CH2-CB 3.44Å; W88-L313 HydrophobicContact CZ2-CB 3.44Å; W88-L313 VanDerWaalsContact CZ2-CB 3.44Å; W88-L313 HydrophobicContact CZ3-CB 3.95Å
89F96.2Very high95.7Very high0 Ų031.4 Ų31.40%016%0.158CC..Hα-helixtrans-66.5-31.2177.7-67.2-43.3000113.3L85 L86 G93 F94 P95 Y100 F102 L119 L120 Y123L85-F89 HydrophobicContact CD1-CD2 4.24Å; L85-F89 HydrophobicContact CD1-CE1 4.44Å; L85-F89 HydrophobicContact CD1-CE2 3.59Å; L85-F89 HydrophobicContact CD1-CZ 3.71Å; L85-F89 HydrophobicContact CD2-CE2 4.18Å; L85-F89 HydrophobicContact CG-CD2 4.18Å; L85-F89 HydrophobicContact CG-CE2 3.68Å; L85-F89 HydrophobicContact CG-CZ 4.31Å; L85-F89 WeakPolarHBondContact O-CD2 3.23Å; L85-F89 PolarHBondContact O-N 3.4Å; L85-F89 VanDerWaalsContact O-N 3.11Å; L86-F89 PolarHBondContact O-N 3.49Å; F89-G93 CarbonylContact O-C 3.59Å; F89-G93 WeakPolarHBondContact O-CA 3.48Å; F89-G93 PolarHBondContact O-N 3.14Å; F89-F94 HydrophobicContact CB-CD1 3.46Å; F89-F94 VanDerWaalsContact CB-CD1 3.46Å; F89-F94 HydrophobicContact CB-CD2 4.06Å; F89-F94 HydrophobicContact CB-CE1 3.29Å; F89-F94 HydrophobicContact CB-CE2 3.91Å; F89-F94 HydrophobicContact CB-CG 3.85Å; F89-F94 HydrophobicContact CB-CZ 3.53Å; F89-F94 HydrophobicContact CD2-CD1 4.17Å; F89-F94 HydrophobicContact CD2-CE1 4.05Å; F89-F94 AromaticContact CG-CD1 3.95Å; F89-F94 HydrophobicContact CG-CD1 3.95Å; F89-F94 HydrophobicContact CG-CE1 4.02Å; F89-F94 WeakPolarHBondContact O-CD2 3.33Å; F89-F94 WeakPolarHBondContact O-CE2 3.46Å; F89-P95 HydrophobicContact CE1-CG 4.18Å; F89-Y100 HydrophobicContact CD1-CE1 4.47Å; F89-Y100 HydrophobicContact CD1-CE2 4.04Å; F89-Y100 AromaticContact CD1-CZ 3.9Å; F89-Y100 HydrophobicContact CE1-CD2 4.19Å; F89-Y100 HydrophobicContact CE1-CE1 4.33Å; F89-Y100 AromaticContact CE1-CE2 3.9Å; F89-Y100 HydrophobicContact CE1-CE2 3.9Å; F89-F102 HydrophobicContact CE1-CZ 4.04Å; F89-F102 AromaticContact CZ-CZ 4Å; F89-F102 HydrophobicContact CZ-CZ 4Å; F89-L119 HydrophobicContact CD2-CD2 4.37Å; F89-L119 HydrophobicContact CE2-CD2 3.93Å; F89-L120 HydrophobicContact CZ-CD2 4.35Å; F89-Y123 HydrophobicContact CD2-CE2 4.39Å; F89-Y123 HydrophobicContact CE2-CD2 4.35Å; F89-Y123 AromaticContact CE2-CE2 3.82Å; F89-Y123 HydrophobicContact CE2-CE2 3.82Å; F89-Y123 HydrophobicContact CZ-CD2 4.3Å; F89-Y123 HydrophobicContact CZ-CE2 4.13Å
90D93.7Very high95.7Very high58 Ų5831.2 Ų31.231%0.3116%0.158SC..Hα-helixtrans-63.9-42.7172.2-75.1-18.6000112.3R33 L86 R87 W88 F94R33-D90 IonicContact CZ-OD1 3.92Å; R33-D90 IonicContact CZ-OD2 3.91Å; R33-D90 IonicContact NE-OD1 3.58Å; R33-D90 PolarHBondContact NE-OD1 3.45Å; R33-D90 IonicContact NE-OD2 3.83Å; R33-D90 PolarHBondContact NE-OD2 3.05Å; R33-D90 IonicContact NH1-OD1 3.84Å; R33-D90 PolarHBondContact NH1-OD1 3.28Å; R33-D90 IonicContact NH2-OD1 2.83Å; R33-D90 PolarHBondContact NH2-OD1 2.76Å; R33-D90 IonicContact NH2-OD2 2.71Å; R33-D90 PolarHBondContact NH2-OD2 3.12Å; L86-D90 VanDerWaalsContact O-CG 3.32Å; L86-D90 PolarHBondContact O-N 3.3Å; R87-D90 WeakPolarHBondContact O-CB 3.49Å; R87-D90 PolarHBondContact O-N 2.76Å; W88-D90 VanDerWaalsContact C-N 3.29Å; W88-D90 PolarHBondContact O-N 2.66Å; D90-F94 WeakPolarHBondContact OD1-CE2 3.48Å; D90-F94 WeakPolarHBondContact OD1-CZ 3.31Å
91H94.6Very high95.8Very high102 Ų10231.1 Ų31.147%0.47216%0.157SC..Hα-helixtrans-77.6-44.4-176.9-173.669.3000112.3R87 W88 E311R87-H91 WeakPolarHBondContact O-CB 3.13Å; R87-H91 PolarHBondContact O-N 2.91Å; W88-H91 PolarHBondContact O-N 3.1Å; H91-E311 IonicContact CD2-OE2 3.53Å; H91-E311 IonicContact CE1-OE2 3.35Å; H91-E311 IonicContact NE2-OE2 3.5Å; H91-E311 PolarHBondContact NE2-OE2 2.87Å
92C95.9Very high96.1Very high6 Ų630 Ų304%0.04115%0.151CC..Hα-helixtrans-94.7-21.9-172.7-69.10000113.8R73 W88 E98 Y100R73-C92 VanDerWaalsContact CZ-O 3.26Å; R73-C92 PolarHBondContact NE-O 3.22Å; R73-C92 PolarHBondContact NH2-O 2.67Å; W88-C92 VanDerWaalsContact O-CB 3.26Å; W88-C92 WeakPolarHBondContact O-CB 3.29Å; W88-C92 PolarHBondContact O-N 3.46Å; C92-E98 VanDerWaalsContact O-CG 3.3Å; C92-E98 WeakPolarHBondContact O-CG 3.42Å; C92-Y100 HydrophobicContact CB-CE1 4.44Å; C92-Y100 WeakPolarHBondContact CB-OH 3.26Å
93G96.6Very high96.3Very high22 Ų2230 Ų3023%0.22715%0.151CC..  trans107140.7-176.300000113.1F89 Y100F89-G93 CarbonylContact O-C 3.59Å; F89-G93 WeakPolarHBondContact O-CA 3.48Å; F89-G93 PolarHBondContact O-N 3.14Å; G93-Y100 WeakPolarHBondContact O-CE2 3.23Å; G93-Y100 PolarHBondContact O-OH 2.96Å
94F97.1Very high96.6Very high47 Ų4728.3 Ų28.321%0.20614%0.141CC..  trans-78157.6-177.7-72.8-96.1000112.6L30 F89 D90 Q97 E98 Y123L30-F94 HydrophobicContact CD2-CD1 4.31Å; L30-F94 HydrophobicContact CD2-CE1 3.74Å; F89-F94 HydrophobicContact CB-CD1 3.46Å; F89-F94 VanDerWaalsContact CB-CD1 3.46Å; F89-F94 HydrophobicContact CB-CD2 4.06Å; F89-F94 HydrophobicContact CB-CE1 3.29Å; F89-F94 HydrophobicContact CB-CE2 3.91Å; F89-F94 HydrophobicContact CB-CG 3.85Å; F89-F94 HydrophobicContact CB-CZ 3.53Å; F89-F94 HydrophobicContact CD2-CD1 4.17Å; F89-F94 HydrophobicContact CD2-CE1 4.05Å; F89-F94 AromaticContact CG-CD1 3.95Å; F89-F94 HydrophobicContact CG-CD1 3.95Å; F89-F94 HydrophobicContact CG-CE1 4.02Å; F89-F94 WeakPolarHBondContact O-CD2 3.33Å; F89-F94 WeakPolarHBondContact O-CE2 3.46Å; D90-F94 WeakPolarHBondContact OD1-CE2 3.48Å; D90-F94 WeakPolarHBondContact OD1-CZ 3.31Å; F94-Q97 WeakPolarHBondContact O-CB 3.39Å; F94-Q97 PolarHBondContact O-N 3.32Å; F94-Q97 PolarHBondContact O-OE1 2.82Å; F94-E98 PolarHBondContact O-N 3.33Å; F94-Y123 WeakPolarHBondContact CD1-OH 3.31Å
95P96.6Very high96.9Very high6 Ų628 Ų284%0.03914%0.139CC..THydrogen-bonded Turntrans-66141.4162.1-19.132.6000111F89 Q97 Y100 Y123 Y127 I131F89-P95 HydrophobicContact CE1-CG 4.18Å; P95-Q97 VanDerWaalsContact C-OE1 3.31Å; P95-Q97 PolarHBondContact O-OE1 3.03Å; P95-Y100 HydrophobicContact CG-CD2 4.12Å; P95-Y100 HydrophobicContact CG-CE2 4.22Å; P95-Y123 HydrophobicContact CB-CD1 3.92Å; P95-Y123 HydrophobicContact CB-CE1 4.15Å; P95-Y123 HydrophobicContact CB-CG 4.15Å; P95-Y123 HydrophobicContact CG-CD1 4.15Å; P95-Y123 HydrophobicContact CG-CD2 3.94Å; P95-Y123 HydrophobicContact CG-CE1 4.28Å; P95-Y123 HydrophobicContact CG-CE2 4.07Å; P95-Y123 HydrophobicContact CG-CG 3.98Å; P95-Y127 HydrophobicContact CB-CD2 4.2Å; P95-I131 HydrophobicContact CB-CD1 4.15Å; P95-I131 HydrophobicContact CB-CG1 4.41Å; P95-I131 HydrophobicContact CG-CD1 3.62Å; P95-I131 HydrophobicContact CG-CG1 4.31Å
96P97.1Very high97Very high46 Ų4628 Ų2830%0.29914%0.139SC..THydrogen-bonded Turncis-95.39738.9-36.6000114.5E98 Y127 R130P96-E98 PolarHBondContact O-N 3.45Å; P96-Y127 HydrophobicContact CB-CD1 3.62Å; P96-Y127 HydrophobicContact CB-CD2 4.28Å; P96-Y127 HydrophobicContact CB-CE1 3.72Å; P96-Y127 HydrophobicContact CB-CE2 4.4Å; P96-Y127 HydrophobicContact CB-CG 3.91Å; P96-Y127 HydrophobicContact CG-CD1 4.05Å; P96-Y127 HydrophobicContact CG-CE1 3.58Å; P96-Y127 HydrophobicContact CG-CE2 4.44Å; P96-R130 HydrophobicContact CB-CG 4.11Å
97Q97.1Very high97.2Very high143 Ų14327.7 Ų27.767%0.66814%0.138SC*.THydrogen-bonded Turntrans-60.5-38.4-179.4-67.376.25.300110.6F94 P95F94-Q97 WeakPolarHBondContact O-CB 3.39Å; F94-Q97 PolarHBondContact O-N 3.32Å; F94-Q97 PolarHBondContact O-OE1 2.82Å; P95-Q97 VanDerWaalsContact C-OE1 3.31Å; P95-Q97 PolarHBondContact O-OE1 3.03Å
98E97.5Very high97.4Very high61 Ų6125.3 Ų25.329%0.28513%0.129SC..SBendtrans-114.1157.7177.1-64.6-70.6144.100111.6R73 C92 F94 P96 Y100R73-E98 IonicContact CZ-OE2 2.73Å; R73-E98 IonicContact NE-OE2 2.95Å; R73-E98 PolarHBondContact NE-OE2 3.44Å; R73-E98 IonicContact NH2-OE2 3.22Å; C92-E98 VanDerWaalsContact O-CG 3.3Å; C92-E98 WeakPolarHBondContact O-CG 3.42Å; F94-E98 PolarHBondContact O-N 3.33Å; P96-E98 PolarHBondContact O-N 3.45Å; E98-Y100 HydrophobicContact CB-CD2 4.29Å; E98-Y100 HydrophobicContact CB-CE2 3.52Å
99R98.5Very high97.3Very high38 Ų3827 Ų2714%0.14314%0.135CC..  trans-107.5138.3175.4-69.1174.167.5-141.7-8.2109.7K69 P70 P71 L72 R73 R130K69-R99 PolarHBondContact O-NH1 3.15Å; K69-R99 PolarHBondContact O-NH2 3.26Å; P70-R99 PolarHBondContact O-NH1 3.14Å; P71-R99 PolarHBondContact O-NH1 2.87Å; L72-R99 CarbonylContact C-O 3.55Å; L72-R99 WeakPolarHBondContact CA-O 3.19Å; L72-R99 HydrophobicContact CB-CB 3.93Å; R73-R99 PolarHBondContact N-O 3.32Å; R99-R130 CarbonylContact C-O 3.45Å; R99-R130 WeakPolarHBondContact CA-O 3.5Å; R99-R130 HydrophobicContact CG-CB 4.45Å; R99-R130 VanDerWaalsContact CG-CD 3.44Å
100Y98.9Very high97.1Very high0 Ų027.9 Ų27.90%014%0.144CC..EExtended strand (participates in β ladder)trans-130.8138.8-176.8-68.5-89.9000112.5R73 F89 C92 G93 P95 E98 F102 R130 I131 F132 M299R73-Y100 HydrophobicContact CB-CD1 3.69Å; R73-Y100 HydrophobicContact CB-CE1 3.68Å; R73-Y100 HydrophobicContact CG-CE1 4.24Å; R73-Y100 CarbonylContact O-C 3.2Å; R73-Y100 VanDerWaalsContact O-CA 3.28Å; R73-Y100 WeakPolarHBondContact O-CA 3.09Å; F89-Y100 HydrophobicContact CD1-CE1 4.47Å; F89-Y100 HydrophobicContact CD1-CE2 4.04Å; F89-Y100 AromaticContact CD1-CZ 3.9Å; F89-Y100 HydrophobicContact CE1-CD2 4.19Å; F89-Y100 HydrophobicContact CE1-CE1 4.33Å; F89-Y100 AromaticContact CE1-CE2 3.9Å; F89-Y100 HydrophobicContact CE1-CE2 3.9Å; C92-Y100 HydrophobicContact CB-CE1 4.44Å; C92-Y100 WeakPolarHBondContact CB-OH 3.26Å; G93-Y100 WeakPolarHBondContact O-CE2 3.23Å; G93-Y100 PolarHBondContact O-OH 2.96Å; P95-Y100 HydrophobicContact CG-CD2 4.12Å; P95-Y100 HydrophobicContact CG-CE2 4.22Å; E98-Y100 HydrophobicContact CB-CD2 4.29Å; E98-Y100 HydrophobicContact CB-CE2 3.52Å; Y100-F102 HydrophobicContact CD1-CE2 4.2Å; Y100-F102 HydrophobicContact CD1-CZ 4.07Å; Y100-F102 AromaticContact CG-CE2 3.93Å; Y100-F102 HydrophobicContact CG-CE2 3.93Å; Y100-F102 HydrophobicContact CG-CZ 4.2Å; Y100-R130 PolarHBondContact N-O 2.85Å; Y100-I131 HydrophobicContact CD2-CD1 4.01Å; Y100-I131 HydrophobicContact CG-CD1 4.31Å; Y100-F132 WeakPolarHBondContact O-CD2 3.13Å; Y100-F132 PolarHBondContact O-N 2.8Å; Y100-M299 HydrophobicContact CD1-SD 4.43Å; Y100-M299 HydrophobicContact CE1-SD 3.97Å
101L98.9Very high96.8Very high0 Ų027.6 Ų27.60%015%0.15CC..EExtended strand (participates in β ladder)trans-114.2118.5162.7172.766.8000108.2L72 R73 V74 A75 F132 L134 A180 I182 C188L72-L101 HydrophobicContact CD1-CB 3.81Å; R73-L101 PolarHBondContact O-N 2.93Å; V74-L101 CarbonylContact C-O 3.58Å; V74-L101 VanDerWaalsContact CA-O 3.27Å; V74-L101 WeakPolarHBondContact CA-O 3.46Å; V74-L101 HydrophobicContact CG1-CD2 4.17Å; V74-L101 HydrophobicContact CG1-CG 4.38Å; V74-L101 HydrophobicContact CG2-CB 4.4Å; V74-L101 HydrophobicContact CG2-CD2 4.3Å; A75-L101 PolarHBondContact N-O 2.78Å; L101-F132 WeakPolarHBondContact CA-O 3.34Å; L101-F132 HydrophobicContact CB-CB 4.37Å; L101-F132 HydrophobicContact CD1-CB 3.59Å; L101-L134 HydrophobicContact CD1-CD1 4.06Å; L101-L134 HydrophobicContact CD1-CD2 4.05Å; L101-L134 HydrophobicContact CD1-CG 3.75Å; L101-A180 HydrophobicContact CD1-CB 3.82Å; L101-A180 HydrophobicContact CD2-CB 3.74Å; L101-A180 HydrophobicContact CG-CB 4.47Å; L101-I182 HydrophobicContact CD2-CD1 4.14Å; L101-I182 HydrophobicContact CD2-CG1 4.38Å; L101-C188 HydrophobicContact CD2-CB 3.82Å
102F98.9Very high96.8Very high0 Ų023.2 Ų23.20%013%0.13CC..EExtended strand (participates in β ladder)trans-105.8131.2174.2-64-99.1000110.4A75 L78 L85 F89 Y100 G104 Y106 L120 I131 F132 L133 L134 M299A75-F102 HydrophobicContact CB-CD1 3.52Å; A75-F102 HydrophobicContact CB-CE1 3.79Å; A75-F102 HydrophobicContact CB-CG 4.24Å; L78-F102 HydrophobicContact CD1-CD1 3.83Å; L78-F102 HydrophobicContact CD1-CE1 3.9Å; L78-F102 HydrophobicContact CG-CD1 4.46Å; L85-F102 HydrophobicContact CD1-CE1 4.05Å; L85-F102 HydrophobicContact CD1-CZ 4.25Å; F89-F102 HydrophobicContact CE1-CZ 4.04Å; F89-F102 AromaticContact CZ-CZ 4Å; F89-F102 HydrophobicContact CZ-CZ 4Å; Y100-F102 HydrophobicContact CD1-CE2 4.2Å; Y100-F102 HydrophobicContact CD1-CZ 4.07Å; Y100-F102 AromaticContact CG-CE2 3.93Å; Y100-F102 HydrophobicContact CG-CE2 3.93Å; Y100-F102 HydrophobicContact CG-CZ 4.2Å; F102-G104 VanDerWaalsContact C-N 3.33Å; F102-G104 PolarHBondContact O-N 3.13Å; F102-Y106 HydrophobicContact CB-CE1 3.65Å; F102-Y106 PolarHBondContact O-OH 3.18Å; F102-Y106 VanDerWaalsContact O-OH 3.06Å; F102-L120 HydrophobicContact CD2-CD2 4.14Å; F102-L120 HydrophobicContact CE1-CD2 4.2Å; F102-L120 HydrophobicContact CE2-CD2 3.71Å; F102-L120 HydrophobicContact CZ-CD2 3.76Å; F102-I131 HydrophobicContact CE2-CD1 4.36Å; F102-F132 PolarHBondContact N-O 2.93Å; F102-L133 HydrophobicContact CB-CD2 3.93Å; F102-L133 HydrophobicContact CD2-CD2 3.74Å; F102-L133 HydrophobicContact CG-CD2 4.12Å; F102-L134 PolarHBondContact O-N 2.88Å; F102-M299 HydrophobicContact CE1-CE 4.21Å
103M98.8Very high96.9Very high0 Ų022.9 Ų22.90%013%0.128CC..  trans-89.115.8-170.4-62.7-170.2-67.500114.9V74 A75 L134 C188 H190 V262 R263 A264 L283V74-M103 HydrophobicContact CG1-CE 4.05Å; V74-M103 HydrophobicContact CG1-CG 3.95Å; V74-M103 HydrophobicContact CG1-SD 3.81Å; A75-M103 WeakPolarHBondContact O-CB 3.22Å; A75-M103 WeakPolarHBondContact O-CG 3.46Å; A75-M103 PolarHBondContact O-N 3.5Å; M103-L134 HydrophobicContact CG-CD1 4.41Å; M103-C188 HydrophobicContact SD-CB 4.3Å; M103-H190 WeakPolarHBondContact O-CB 3.42Å; M103-H190 VanDerWaalsContact O-CG 3.32Å; M103-H190 PolarHBondContact O-ND1 2.92Å; M103-V262 HydrophobicContact CE-CG1 3.91Å; M103-V262 HydrophobicContact SD-CB 4.45Å; M103-V262 HydrophobicContact SD-CG1 3.79Å; M103-R263 WeakPolarHBondContact CE-O 3.41Å; M103-A264 HydrophobicContact CB-CB 3.98Å; M103-A264 HydrophobicContact CE-CB 3.92Å; M103-L283 HydrophobicContact CE-CB 3.7Å; M103-L283 HydrophobicContact CE-CD1 3.74Å; M103-L283 HydrophobicContact CE-CG 4.18Å
104G98.7Very high96.9Very high0 Ų021.9 Ų21.90%012%0.117CC..SBendtrans105.1-172177.300000113.8F102F102-G104 VanDerWaalsContact C-N 3.33Å; F102-G104 PolarHBondContact O-N 3.13Å
105D98.8Very high96.9Very high2 Ų219.7 Ų19.71%0.01111%0.108CC..  trans55.260.2-179.6-78.915.2000112.1D77 L78 H79 G136 N137 H138 E139 H190D77-D105 HydrophobicContact CB-CB 4.03Å; L78-D105 PolarHBondContact N-O 2.88Å; H79-D105 IonicContact CE1-OD2 3.71Å; H79-D105 PolarHBondContact CE1-OD2 3.11Å; H79-D105 PolarHBondContact N-O 3.11Å; H79-D105 IonicContact NE2-OD2 3.74Å; H79-D105 PolarHBondContact NE2-OD2 3.39Å; D105-G136 VanDerWaalsContact OD1-CA 3.31Å; D105-G136 WeakPolarHBondContact OD1-CA 3.34Å; D105-N137 PolarHBondContact OD1-N 2.89Å; D105-N137 VanDerWaalsContact OD1-N 3.11Å; D105-N137 PolarHBondContact OD1-OD1 2.82Å; D105-N137 PolarHBondContact OD2-OD1 2.91Å; D105-N137 VanDerWaalsContact OD2-OD1 3.09Å; D105-H138 WeakPolarHBondContact OD1-CB 3.48Å; D105-H138 IonicContact OD1-CD2 2.76Å; D105-H138 IonicContact OD1-CG 2.65Å; D105-H138 PolarHBondContact OD1-N 3.19Å; D105-H138 IonicContact OD2-CD2 2.83Å; D105-H138 PolarHBondContact OD2-CD2 3.12Å; D105-H138 IonicContact OD2-CG 3.12Å; D105-E139 PolarHBondContact N-OE2 2.76Å; D105-H190 IonicContact OD1-CE1 3.99Å; D105-H190 IonicContact OD1-NE2 3.9Å; D105-H190 PolarHBondContact OD1-NE2 2.93Å; D105-H190 IonicContact OD2-CE1 2.71Å; D105-H190 PolarHBondContact OD2-CE1 2.82Å; D105-H190 IonicContact OD2-NE2 3.59Å; D105-H190 PolarHBondContact OD2-NE2 3.46Å
106Y98.9Very high96.9Very high0 Ų019.4 Ų19.40%011%0.106CC..  trans-84.1-35.8179.8-48.2-46.6000111.7L78 G80 F102 V116 I117 L120 L133 L134 E139 L176L78-Y106 HydrophobicContact CD1-CD1 4.36Å; G80-Y106 PolarHBondContact N-O 3.15Å; F102-Y106 HydrophobicContact CB-CE1 3.65Å; F102-Y106 PolarHBondContact O-OH 3.18Å; F102-Y106 VanDerWaalsContact O-OH 3.06Å; Y106-V116 WeakPolarHBondContact O-CG1 3.41Å; Y106-I117 HydrophobicContact CD2-CD1 3.5Å; Y106-I117 HydrophobicContact CE2-CD1 4.29Å; Y106-I117 HydrophobicContact CG-CD1 3.94Å; Y106-L120 HydrophobicContact CD1-CD1 3.74Å; Y106-L120 HydrophobicContact CE1-CD1 4.12Å; Y106-L120 HydrophobicContact CG-CD1 4.11Å; Y106-L133 HydrophobicContact CE1-CD2 4.47Å; Y106-L133 HydrophobicContact CE2-CB 4.4Å; Y106-L133 VanDerWaalsContact OH-CA 3.24Å; Y106-L133 WeakPolarHBondContact OH-CA 3.18Å; Y106-L133 WeakPolarHBondContact OH-CB 3.38Å; Y106-L134 WeakPolarHBondContact CE2-O 3.07Å; Y106-L134 PolarHBondContact OH-N 2.83Å; Y106-L134 VanDerWaalsContact OH-N 3.11Å; Y106-L134 PolarHBondContact OH-O 2.97Å; Y106-E139 VanDerWaalsContact CD2-CD 3.47Å; Y106-E139 HydrophobicContact CD2-CG 3.89Å; Y106-E139 WeakPolarHBondContact CD2-OE1 3.46Å; Y106-E139 HydrophobicContact CE2-CG 4.3Å; Y106-E139 PolarHBondContact N-OE1 3.24Å; Y106-L176 HydrophobicContact CE2-CD1 4.22Å
107V98.6Very high97Very high0 Ų017.2 Ų17.20%09%0.091CC..SBendtrans-107.5178.5-172.7-570000111.9H79 S113 I117 H138 N144 F149 F173H79-V107 PolarHBondContact ND1-O 3Å; V107-S113 WeakPolarHBondContact CA-OG 3.24Å; V107-I117 HydrophobicContact CG1-CB 4.09Å; V107-I117 HydrophobicContact CG1-CG2 4.2Å; V107-H138 HydrophobicContact CG2-CB 4.47Å; V107-N144 HydrophobicContact CG2-CB 4.22Å; V107-F149 HydrophobicContact CB-CB 4.08Å; V107-F149 HydrophobicContact CB-CD1 4.33Å; V107-F149 HydrophobicContact CB-CD2 4.01Å; V107-F149 HydrophobicContact CB-CG 3.89Å; V107-F149 HydrophobicContact CG1-CD1 4.27Å; V107-F149 HydrophobicContact CG1-CD2 3.91Å; V107-F149 HydrophobicContact CG1-CE1 4.31Å; V107-F149 HydrophobicContact CG1-CE2 3.96Å; V107-F149 HydrophobicContact CG1-CG 4.09Å; V107-F149 HydrophobicContact CG1-CZ 4.16Å; V107-F149 HydrophobicContact CG2-CB 4.22Å; V107-F149 HydrophobicContact CG2-CD1 4.29Å; V107-F149 HydrophobicContact CG2-CG 4.21Å; V107-F173 HydrophobicContact CG1-CZ 4Å; V107-F173 HydrophobicContact CG2-CE2 4.36Å
108D97.5Very high97Very high0 Ų010.4 Ų10.40%06%0.06CC..SBendtrans64.8166.7-177.2-63.2-32000114.5H79 G110 S113 H138 N144 Y147 G148 F149H79-D108 CarbonylContact C-O 3.54Å; H79-D108 WeakPolarHBondContact CA-O 3.39Å; H79-D108 WeakPolarHBondContact CB-O 3.34Å; H79-D108 PolarHBondContact ND1-O 3Å; D108-G110 PolarHBondContact O-N 3.49Å; D108-S113 PolarHBondContact N-OG 3.45Å; D108-H138 VanDerWaalsContact CB-ND1 3.33Å; D108-H138 WeakPolarHBondContact CB-ND1 3.43Å; D108-H138 IonicContact OD2-CE1 3.31Å; D108-H138 IonicContact OD2-CG 3.22Å; D108-H138 IonicContact OD2-ND1 3.25Å; D108-H138 PolarHBondContact OD2-ND1 2.85Å; D108-N144 WeakPolarHBondContact OD1-CA 3.42Å; D108-N144 WeakPolarHBondContact OD1-CB 3.38Å; D108-N144 WeakPolarHBondContact OD2-CA 3.1Å; D108-N144 WeakPolarHBondContact OD2-CB 3.1Å; D108-Y147 WeakPolarHBondContact CA-O 3.41Å; D108-Y147 WeakPolarHBondContact CB-O 3.27Å; D108-G148 PolarHBondContact OD1-N 3.17Å; D108-F149 WeakPolarHBondContact OD1-CB 3.46Å; D108-F149 PolarHBondContact OD1-N 2.86Å
109R93.6Very high97.1Very high36 Ų367.5 Ų7.514%0.1365%0.046CC..SBendtrans65-41.7173.2-53.7-79.5-169.1172.81.1114.9H79 Y147 Y289 Q327 C330H79-R109 HydrophobicContact CB-CB 4.25Å; R109-Y147 VanDerWaalsContact CZ-CD1 3.46Å; R109-Y147 PolarHBondContact N-O 3.17Å; R109-Y289 HydrophobicContact CB-CE2 4.19Å; R109-Y289 WeakPolarHBondContact CG-OH 3.42Å; R109-Q327 VanDerWaalsContact O-CD 3.27Å; R109-Q327 PolarHBondContact O-NE2 3Å; R109-C330 PolarHBondContact NH1-SG 3.4Å; R109-C330 VanDerWaalsContact NH1-SG 3.44Å
110G91.8Very high97.1Very high19 Ų195.7 Ų5.720%0.1964%0.039CC..SBendtrans-84.9179.3169.900000113.5H79 D108H79-G110 WeakPolarHBondContact O-CA 3.13Å; H79-G110 PolarHBondContact O-N 3.06Å; D108-G110 PolarHBondContact O-N 3.49Å
111A89.3Confident97.1Very high52 Ų525.7 Ų5.743%0.434%0.039SC..SBendtrans-99.2-11.6-173.300000114.8
112E94.1Very high97.1Very high9 Ų95.7 Ų5.74%0.0424%0.039CC..  trans-12943-172.6-61.5-177.6120.700110.5R32 G38 G80 F82 L114 E115 V116R32-E112 IonicContact NH2-OE1 3.31Å; R32-E112 PolarHBondContact NH2-OE1 3.14Å; G38-E112 WeakPolarHBondContact CA-OE1 3.33Å; G38-E112 VanDerWaalsContact N-CD 3.32Å; G38-E112 PolarHBondContact N-OE1 3.27Å; G80-E112 CarbonylContact O-C 3.59Å; G80-E112 WeakPolarHBondContact O-CA 3.49Å; G80-E112 WeakPolarHBondContact O-CB 3.11Å; G80-E112 PolarHBondContact O-N 3.36Å; F82-E112 HydrophobicContact CB-CB 3.49Å; F82-E112 VanDerWaalsContact CB-CB 3.49Å; F82-E112 HydrophobicContact CB-CG 4.35Å; F82-E112 HydrophobicContact CG-CB 4.48Å; E112-L114 VanDerWaalsContact C-N 3.32Å; E112-L114 PolarHBondContact O-N 2.89Å; E112-E115 WeakPolarHBondContact CA-OE2 3.4Å; E112-E115 HydrophobicContact CB-CB 4.2Å; E112-E115 HydrophobicContact CB-CG 4.32Å; E112-E115 WeakPolarHBondContact CB-OE2 3.42Å; E112-E115 PolarHBondContact O-N 3.35Å; E112-V116 PolarHBondContact O-N 2.87Å; E112-V116 VanDerWaalsContact O-N 3.1Å
113S97Very high97Very high0 Ų06 Ų60%04%0.04CC..Hα-helixtrans-61.4-40.2179.3-63.30000111.9V107 D108 E115 V116 I117 E152V107-S113 WeakPolarHBondContact CA-OG 3.24Å; D108-S113 PolarHBondContact N-OG 3.45Å; S113-E115 PolarHBondContact O-N 3.44Å; S113-V116 PolarHBondContact O-N 3Å; S113-I117 WeakPolarHBondContact O-CG2 3.21Å; S113-I117 PolarHBondContact O-N 3.19Å; S113-E152 WeakPolarHBondContact CA-OE2 3.11Å; S113-E152 WeakPolarHBondContact CB-OE2 3.41Å; S113-E152 PolarHBondContact N-OE1 2.7Å; S113-E152 PolarHBondContact N-OE2 3.42Å
114L97.2Very high97Very high0 Ų06 Ų60%04%0.04CC..Hα-helixtrans-61.6-44.1176.8178.760.8000111.6Y43 L48 E112 T118 E152 M153 K156 F157 Y169Y43-L114 HydrophobicContact CD2-CD2 3.72Å; Y43-L114 HydrophobicContact CE2-CD2 3.44Å; Y43-L114 VanDerWaalsContact CE2-CD2 3.44Å; Y43-L114 HydrophobicContact CE2-CG 3.93Å; L48-L114 HydrophobicContact CD1-CD1 4.37Å; E112-L114 VanDerWaalsContact C-N 3.32Å; E112-L114 PolarHBondContact O-N 2.89Å; L114-T118 WeakPolarHBondContact CD1-OG1 3.3Å; L114-T118 WeakPolarHBondContact O-CB 3.46Å; L114-T118 PolarHBondContact O-N 3.47Å; L114-T118 PolarHBondContact O-OG1 3.02Å; L114-E152 WeakPolarHBondContact CB-OE1 3.1Å; L114-E152 PolarHBondContact N-OE1 2.92Å; L114-M153 HydrophobicContact CB-SD 4.32Å; L114-M153 HydrophobicContact CD1-CE 4.06Å; L114-M153 HydrophobicContact CD1-SD 3.85Å; L114-M153 HydrophobicContact CD2-SD 4.11Å; L114-M153 HydrophobicContact CG-SD 4.33Å; L114-K156 HydrophobicContact CD2-CD 4.04Å; L114-F157 HydrophobicContact CD2-CE2 3.45Å; L114-F157 VanDerWaalsContact CD2-CE2 3.45Å; L114-F157 HydrophobicContact CD2-CZ 3.79Å; L114-Y169 HydrophobicContact CD1-CE2 4Å
115E96.6Very high97Very high2 Ų27.2 Ų7.21%0.0095%0.048CC..Hα-helixtrans-62.2-45.2178.4-69.165.6-163.200111.1L29 V41 Y43 F82 E112 S113 L119 K156L29-E115 HydrophobicContact CD2-CB 4.29Å; L29-E115 HydrophobicContact CD2-CG 4.25Å; V41-E115 HydrophobicContact CG2-CG 4.08Å; Y43-E115 WeakPolarHBondContact OH-CA 3.28Å; Y43-E115 WeakPolarHBondContact OH-CG 3.17Å; Y43-E115 PolarHBondContact OH-OE1 3.41Å; F82-E115 HydrophobicContact CB-CB 3.93Å; F82-E115 HydrophobicContact CD1-CB 3.68Å; F82-E115 HydrophobicContact CD1-CG 4.07Å; F82-E115 HydrophobicContact CD2-CB 3.56Å; F82-E115 HydrophobicContact CE1-CB 4.02Å; F82-E115 HydrophobicContact CE1-CG 4.31Å; F82-E115 HydrophobicContact CE2-CB 3.91Å; F82-E115 HydrophobicContact CG-CB 3.43Å; F82-E115 VanDerWaalsContact CG-CB 3.43Å; F82-E115 HydrophobicContact CG-CG 4.3Å; F82-E115 HydrophobicContact CZ-CB 4.14Å; E112-E115 WeakPolarHBondContact CA-OE2 3.4Å; E112-E115 HydrophobicContact CB-CB 4.2Å; E112-E115 HydrophobicContact CB-CG 4.32Å; E112-E115 WeakPolarHBondContact CB-OE2 3.42Å; E112-E115 PolarHBondContact O-N 3.35Å; S113-E115 PolarHBondContact O-N 3.44Å; E115-L119 WeakPolarHBondContact O-CB 3.23Å; E115-L119 PolarHBondContact O-N 2.95Å; E115-K156 IonicContact OE1-NZ 3.7Å; E115-K156 PolarHBondContact OE1-NZ 2.74Å; E115-K156 IonicContact OE2-NZ 3.49Å; E115-K156 PolarHBondContact OE2-NZ 3.11Å
116V97.8Very high97Very high0 Ų09.3 Ų9.30%06%0.056CC..Hα-helixtrans-56.4-60.7175.6167.90000110.7L78 F82 L85 Y106 E112 S113 T118 L119 L120L78-V116 HydrophobicContact CB-CG1 4.23Å; L78-V116 HydrophobicContact CD1-CG1 3.9Å; F82-V116 HydrophobicContact CB-CG2 3.86Å; F82-V116 HydrophobicContact CD2-CG2 4.17Å; L85-V116 HydrophobicContact CD2-CB 4.4Å; L85-V116 HydrophobicContact CD2-CG1 4.15Å; L85-V116 HydrophobicContact CD2-CG2 4.28Å; Y106-V116 WeakPolarHBondContact O-CG1 3.41Å; E112-V116 PolarHBondContact O-N 2.87Å; E112-V116 VanDerWaalsContact O-N 3.1Å; S113-V116 PolarHBondContact O-N 3Å; V116-T118 VanDerWaalsContact C-N 3.31Å; V116-T118 PolarHBondContact O-N 3.38Å; V116-L119 PolarHBondContact O-N 3.48Å; V116-L120 HydrophobicContact CG1-CD1 4.05Å; V116-L120 WeakPolarHBondContact O-CG 3.42Å; V116-L120 PolarHBondContact O-N 2.82Å
117I98.6Very high96.9Very high0 Ų011.6 Ų11.60%07%0.065CC..Hα-helixtrans-68.5-33.6-171.9-166.557.5000111.9Y106 V107 S113 L120 F121 F149 Y169 F173Y106-I117 HydrophobicContact CD2-CD1 3.5Å; Y106-I117 HydrophobicContact CE2-CD1 4.29Å; Y106-I117 HydrophobicContact CG-CD1 3.94Å; V107-I117 HydrophobicContact CG1-CB 4.09Å; V107-I117 HydrophobicContact CG1-CG2 4.2Å; S113-I117 WeakPolarHBondContact O-CG2 3.21Å; S113-I117 PolarHBondContact O-N 3.19Å; I117-L120 PolarHBondContact O-N 3.36Å; I117-F121 HydrophobicContact CD1-CD1 3.83Å; I117-F121 HydrophobicContact CD1-CE1 3.44Å; I117-F121 VanDerWaalsContact CD1-CE1 3.44Å; I117-F121 HydrophobicContact CD1-CZ 3.92Å; I117-F121 HydrophobicContact CG1-CD1 4.18Å; I117-F121 HydrophobicContact CG1-CE1 3.9Å; I117-F121 HydrophobicContact CG1-CE2 4.27Å; I117-F121 HydrophobicContact CG1-CZ 3.94Å; I117-F121 WeakPolarHBondContact O-CB 3.43Å; I117-F121 WeakPolarHBondContact O-CG 3.33Å; I117-F121 PolarHBondContact O-N 2.96Å; I117-F149 HydrophobicContact CG2-CE2 4.31Å; I117-F149 HydrophobicContact CG2-CZ 4.21Å; I117-Y169 HydrophobicContact CB-CE1 4.49Å; I117-Y169 HydrophobicContact CG1-CD1 4.18Å; I117-Y169 HydrophobicContact CG1-CE1 4.16Å; I117-Y169 HydrophobicContact CG2-CD1 3.94Å; I117-Y169 HydrophobicContact CG2-CE1 3.57Å; I117-F173 HydrophobicContact CD1-CE1 3.99Å; I117-F173 HydrophobicContact CG1-CE1 3.84Å; I117-F173 HydrophobicContact CG1-CZ 4.08Å
118T98.1Very high96.9Very high0 Ų013.7 Ų13.70%08%0.079CC..Hα-helixtrans-64.5-44.5175.2-58.70000110.8V25 L29 Y43 L48 L51 L114 V116 F121 C122 Y169V25-T118 HydrophobicContact CG1-CG2 4.06Å; L29-T118 HydrophobicContact CD1-CG2 3.85Å; Y43-T118 HydrophobicContact CE1-CG2 4.33Å; L48-T118 HydrophobicContact CD2-CG2 3.7Å; L51-T118 HydrophobicContact CD2-CG2 3.68Å; L114-T118 WeakPolarHBondContact CD1-OG1 3.3Å; L114-T118 WeakPolarHBondContact O-CB 3.46Å; L114-T118 PolarHBondContact O-N 3.47Å; L114-T118 PolarHBondContact O-OG1 3.02Å; V116-T118 VanDerWaalsContact C-N 3.31Å; V116-T118 PolarHBondContact O-N 3.38Å; T118-F121 PolarHBondContact O-N 3.49Å; T118-C122 WeakPolarHBondContact O-CB 3.31Å; T118-C122 PolarHBondContact O-N 3.45Å; T118-C122 PolarHBondContact O-SG 2.86Å; T118-Y169 PolarHBondContact OG1-OH 3.29Å
119L98Very high96.9Very high0 Ų020 Ų200%011%0.108CC..Hα-helixtrans-63.6-44.8178-175.458000111.4I26 L29 L30 F82 L85 L86 F89 E115 V116 C122 Y123I26-L119 HydrophobicContact CG2-CD1 4.49Å; L29-L119 HydrophobicContact CB-CD1 4.26Å; L29-L119 HydrophobicContact CD1-CB 3.96Å; L29-L119 HydrophobicContact CD1-CD1 4.17Å; L30-L119 HydrophobicContact CD2-CD1 4.32Å; L30-L119 HydrophobicContact CD2-CD2 4.19Å; F82-L119 HydrophobicContact CE2-CB 4.12Å; F82-L119 HydrophobicContact CE2-CD2 3.72Å; F82-L119 HydrophobicContact CZ-CD2 4.33Å; L85-L119 HydrophobicContact CD2-CD2 4.2Å; L86-L119 HydrophobicContact CD2-CD2 3.9Å; F89-L119 HydrophobicContact CD2-CD2 4.37Å; F89-L119 HydrophobicContact CE2-CD2 3.93Å; E115-L119 WeakPolarHBondContact O-CB 3.23Å; E115-L119 PolarHBondContact O-N 2.95Å; V116-L119 PolarHBondContact O-N 3.48Å; L119-C122 WeakPolarHBondContact O-CB 3.35Å; L119-C122 PolarHBondContact O-N 2.94Å; L119-Y123 HydrophobicContact CD1-CD2 3.97Å; L119-Y123 HydrophobicContact CD1-CE2 3.52Å; L119-Y123 HydrophobicContact CD2-CE2 4.02Å; L119-Y123 HydrophobicContact CG-CD2 3.89Å; L119-Y123 HydrophobicContact CG-CE2 3.61Å; L119-Y123 WeakPolarHBondContact O-CD2 3.42Å; L119-Y123 PolarHBondContact O-N 2.93Å
120L98.8Very high97.1Very high0 Ų023.4 Ų23.40%012%0.121CC..Hα-helixtrans-62.5-43.6178.3-67.2179.9000111.8L78 L85 F89 F102 Y106 V116 I117 C122 Y123 K124 L133L78-L120 HydrophobicContact CD1-CD1 3.94Å; L85-L120 HydrophobicContact CD1-CD2 4.48Å; L85-L120 HydrophobicContact CD2-CD2 4.33Å; L85-L120 HydrophobicContact CD2-CG 4.37Å; F89-L120 HydrophobicContact CZ-CD2 4.35Å; F102-L120 HydrophobicContact CD2-CD2 4.14Å; F102-L120 HydrophobicContact CE1-CD2 4.2Å; F102-L120 HydrophobicContact CE2-CD2 3.71Å; F102-L120 HydrophobicContact CZ-CD2 3.76Å; Y106-L120 HydrophobicContact CD1-CD1 3.74Å; Y106-L120 HydrophobicContact CE1-CD1 4.12Å; Y106-L120 HydrophobicContact CG-CD1 4.11Å; V116-L120 HydrophobicContact CG1-CD1 4.05Å; V116-L120 WeakPolarHBondContact O-CG 3.42Å; V116-L120 PolarHBondContact O-N 2.82Å; I117-L120 PolarHBondContact O-N 3.36Å; L120-C122 VanDerWaalsContact C-N 3.35Å; L120-Y123 PolarHBondContact O-N 2.92Å; L120-K124 WeakPolarHBondContact O-CB 3.12Å; L120-K124 PolarHBondContact O-N 2.85Å; L120-L133 HydrophobicContact CB-CD1 4.07Å; L120-L133 HydrophobicContact CB-CD2 4.19Å; L120-L133 HydrophobicContact CD1-CD2 4.18Å; L120-L133 HydrophobicContact CD2-CD2 4.44Å
121F98.8Very high97.4Very high0 Ų022.5 Ų22.50%011%0.112CC..Hα-helixtrans-64.5-40.2174.2-78.710.3000111.5L51 V52 A55 F59 I117 T118 Y123 K124 C125 L133 Y169 A172 F173L51-F121 HydrophobicContact CD1-CB 4.33Å; L51-F121 HydrophobicContact CD2-CB 4.18Å; L51-F121 HydrophobicContact CG-CB 4.16Å; V52-F121 HydrophobicContact CG2-CD2 4.27Å; V52-F121 HydrophobicContact CG2-CE2 4.36Å; A55-F121 HydrophobicContact CB-CB 4.34Å; A55-F121 HydrophobicContact CB-CD1 4.47Å; A55-F121 HydrophobicContact CB-CD2 3.85Å; A55-F121 HydrophobicContact CB-CE2 4.23Å; A55-F121 HydrophobicContact CB-CG 3.98Å; F59-F121 AromaticContact CE2-CE1 3.95Å; F59-F121 HydrophobicContact CE2-CE1 3.95Å; F59-F121 HydrophobicContact CE2-CZ 4.14Å; F59-F121 HydrophobicContact CZ-CD1 4.37Å; F59-F121 AromaticContact CZ-CE1 4Å; F59-F121 HydrophobicContact CZ-CE1 4Å; I117-F121 HydrophobicContact CD1-CD1 3.83Å; I117-F121 HydrophobicContact CD1-CE1 3.44Å; I117-F121 VanDerWaalsContact CD1-CE1 3.44Å; I117-F121 HydrophobicContact CD1-CZ 3.92Å; I117-F121 HydrophobicContact CG1-CD1 4.18Å; I117-F121 HydrophobicContact CG1-CE1 3.9Å; I117-F121 HydrophobicContact CG1-CE2 4.27Å; I117-F121 HydrophobicContact CG1-CZ 3.94Å; I117-F121 WeakPolarHBondContact O-CB 3.43Å; I117-F121 WeakPolarHBondContact O-CG 3.33Å; I117-F121 PolarHBondContact O-N 2.96Å; T118-F121 PolarHBondContact O-N 3.49Å; F121-Y123 VanDerWaalsContact C-N 3.34Å; F121-Y123 PolarHBondContact O-N 3.25Å; F121-K124 PolarHBondContact O-N 3.48Å; F121-C125 WeakPolarHBondContact O-CB 3.48Å; F121-C125 PolarHBondContact O-N 2.74Å; F121-C125 PolarHBondContact O-SG 3.05Å; F121-L133 HydrophobicContact CD1-CD1 3.93Å; F121-L133 HydrophobicContact CE1-CD1 4.15Å; F121-Y169 HydrophobicContact CD2-CD1 4.33Å; F121-Y169 AromaticContact CD2-CE1 3.9Å; F121-Y169 HydrophobicContact CD2-CE1 3.9Å; F121-Y169 AromaticContact CE2-CD1 3.81Å; F121-Y169 HydrophobicContact CE2-CD1 3.81Å; F121-Y169 AromaticContact CE2-CE1 3.87Å; F121-Y169 HydrophobicContact CE2-CE1 3.87Å; F121-A172 HydrophobicContact CE2-CB 3.91Å; F121-A172 HydrophobicContact CZ-CB 4.03Å; F121-F173 HydrophobicContact CZ-CD1 4.3Å; F121-F173 AromaticContact CZ-CE1 3.99Å; F121-F173 HydrophobicContact CZ-CE1 3.99Å
122C98.5Very high97.9Very high0 Ų020.6 Ų20.60%09%0.094CC..Hα-helixtrans-58.7-47.5175.1-76.30000111.6L22 V25 I26 L51 T118 L119 L120 C125 R126L22-C122 HydrophobicContact CD1-CB 3.89Å; V25-C122 WeakPolarHBondContact CG1-SG 3.28Å; I26-C122 HydrophobicContact CD1-CB 4.06Å; I26-C122 HydrophobicContact CG1-CB 3.51Å; L51-C122 VanDerWaalsContact CD2-SG 3.5Å; T118-C122 WeakPolarHBondContact O-CB 3.31Å; T118-C122 PolarHBondContact O-N 3.45Å; T118-C122 PolarHBondContact O-SG 2.86Å; L119-C122 WeakPolarHBondContact O-CB 3.35Å; L119-C122 PolarHBondContact O-N 2.94Å; L120-C122 VanDerWaalsContact C-N 3.35Å; C122-C125 PolarHBondContact O-N 2.89Å; C122-R126 WeakPolarHBondContact O-CB 3.28Å; C122-R126 PolarHBondContact O-N 2.81Å
123Y98.6Very high98.1Very high6 Ų620.2 Ų20.22%0.0249%0.092CC..Hα-helixtrans-67.5-36.5177-71.8-51.2000112.9I26 F89 F94 P95 L119 L120 F121 R126 Y127I26-Y123 HydrophobicContact CD1-CD1 4.23Å; I26-Y123 HydrophobicContact CD1-CE1 4.37Å; I26-Y123 HydrophobicContact CG2-CE1 4.06Å; F89-Y123 HydrophobicContact CD2-CE2 4.39Å; F89-Y123 HydrophobicContact CE2-CD2 4.35Å; F89-Y123 AromaticContact CE2-CE2 3.82Å; F89-Y123 HydrophobicContact CE2-CE2 3.82Å; F89-Y123 HydrophobicContact CZ-CD2 4.3Å; F89-Y123 HydrophobicContact CZ-CE2 4.13Å; F94-Y123 WeakPolarHBondContact CD1-OH 3.31Å; P95-Y123 HydrophobicContact CB-CD1 3.92Å; P95-Y123 HydrophobicContact CB-CE1 4.15Å; P95-Y123 HydrophobicContact CB-CG 4.15Å; P95-Y123 HydrophobicContact CG-CD1 4.15Å; P95-Y123 HydrophobicContact CG-CD2 3.94Å; P95-Y123 HydrophobicContact CG-CE1 4.28Å; P95-Y123 HydrophobicContact CG-CE2 4.07Å; P95-Y123 HydrophobicContact CG-CG 3.98Å; L119-Y123 HydrophobicContact CD1-CD2 3.97Å; L119-Y123 HydrophobicContact CD1-CE2 3.52Å; L119-Y123 HydrophobicContact CD2-CE2 4.02Å; L119-Y123 HydrophobicContact CG-CD2 3.89Å; L119-Y123 HydrophobicContact CG-CE2 3.61Å; L119-Y123 WeakPolarHBondContact O-CD2 3.42Å; L119-Y123 PolarHBondContact O-N 2.93Å; L120-Y123 PolarHBondContact O-N 2.92Å; F121-Y123 VanDerWaalsContact C-N 3.34Å; F121-Y123 PolarHBondContact O-N 3.25Å; Y123-R126 PolarHBondContact O-N 2.87Å; Y123-Y127 AromaticContact CD1-CD2 3.95Å; Y123-Y127 HydrophobicContact CD1-CD2 3.95Å; Y123-Y127 AromaticContact CD1-CE2 3.89Å; Y123-Y127 HydrophobicContact CD1-CE2 3.89Å; Y123-Y127 HydrophobicContact CE1-CE2 4.3Å; Y123-Y127 CarbonylContact O-C 3.56Å; Y123-Y127 WeakPolarHBondContact O-CA 3.45Å; Y123-Y127 PolarHBondContact O-N 3.26Å
124K98.7Very high98.2Very high0 Ų020.2 Ų20.20%09%0.092CC..Hα-helixtrans-60.1-47.9173.6-177.861.8177.81730111.6I58 F59 E62 L120 F121 R126 Y127 P128 I131 L133I58-K124 HydrophobicContact CG2-CD 4.45Å; I58-K124 HydrophobicContact CG2-CG 4.43Å; F59-K124 HydrophobicContact CE1-CD 4.25Å; F59-K124 HydrophobicContact CE1-CG 3.9Å; F59-K124 HydrophobicContact CZ-CG 4.1Å; E62-K124 WeakPolarHBondContact OE1-CE 3.2Å; E62-K124 IonicContact OE1-NZ 3.65Å; E62-K124 PolarHBondContact OE1-NZ 2.94Å; E62-K124 WeakPolarHBondContact OE2-CE 3.4Å; E62-K124 IonicContact OE2-NZ 2.7Å; E62-K124 PolarHBondContact OE2-NZ 2.76Å; L120-K124 WeakPolarHBondContact O-CB 3.12Å; L120-K124 PolarHBondContact O-N 2.85Å; F121-K124 PolarHBondContact O-N 3.48Å; K124-R126 VanDerWaalsContact C-N 3.31Å; K124-R126 PolarHBondContact O-N 3.35Å; K124-Y127 CarbonylContact O-C 3.26Å; K124-P128 PolarHBondContact NZ-O 2.98Å; K124-P128 WeakPolarHBondContact O-CA 3.37Å; K124-P128 WeakPolarHBondContact O-CD 3.22Å; K124-P128 VanDerWaalsContact O-N 3.1Å; K124-I131 HydrophobicContact CB-CG2 4.13Å; K124-I131 HydrophobicContact CD-CB 4.41Å; K124-I131 HydrophobicContact CD-CG2 4.29Å; K124-I131 WeakPolarHBondContact CD-O 3.28Å; K124-I131 WeakPolarHBondContact CE-O 3.35Å; K124-I131 PolarHBondContact NZ-O 3.03Å; K124-L133 HydrophobicContact CB-CD1 4.23Å
125C98.6Very high98.3Very high25 Ų2520.3 Ų20.317%0.1699%0.093CC..Hα-helixtrans-65-36.3176.6-66.60000112.3L22 L51 A55 I58 F121 C122L22-C125 HydrophobicContact CD1-CB 4.37Å; L22-C125 HydrophobicContact CD2-CB 3.88Å; L51-C125 HydrophobicContact CD1-CB 4.33Å; A55-C125 PolarHBondContact N-SG 3.19Å; A55-C125 VanDerWaalsContact N-SG 3.43Å; I58-C125 HydrophobicContact CD1-CB 4.29Å; F121-C125 WeakPolarHBondContact O-CB 3.48Å; F121-C125 PolarHBondContact O-N 2.74Å; F121-C125 PolarHBondContact O-SG 3.05Å; C122-C125 PolarHBondContact O-N 2.89Å
126R97.9Very high98.4Very high46 Ų4620.2 Ų20.217%0.1749%0.092CC..Hα-helixtrans-80.4-31.5-175.4-171.958.8-179.967.219.4113.3R19 L22 D23 I26 C122 Y123 K124R19-R126 VanDerWaalsContact NE-CZ 3.27Å; L22-R126 HydrophobicContact CD2-CB 3.67Å; L22-R126 HydrophobicContact CD2-CG 4.32Å; L22-R126 HydrophobicContact CG-CB 4.31Å; D23-R126 WeakPolarHBondContact OD1-CD 3.32Å; D23-R126 IonicContact OD1-CZ 2.73Å; D23-R126 IonicContact OD1-NE 3.54Å; D23-R126 PolarHBondContact OD1-NE 3.02Å; D23-R126 IonicContact OD1-NH2 3.42Å; D23-R126 IonicContact OD2-NE 2.62Å; I26-R126 HydrophobicContact CD1-CB 4.16Å; I26-R126 HydrophobicContact CD1-CG 4.19Å; C122-R126 WeakPolarHBondContact O-CB 3.28Å; C122-R126 PolarHBondContact O-N 2.81Å; Y123-R126 PolarHBondContact O-N 2.87Å; K124-R126 VanDerWaalsContact C-N 3.31Å; K124-R126 PolarHBondContact O-N 3.35Å
127Y97.9Very high98.4Very high48 Ų4820.3 Ų20.319%0.1889%0.093CC..  trans-144.565.6-172.7-47.7-69.4000110.9P95 P96 Y123 K124 E129 R130 I131P95-Y127 HydrophobicContact CB-CD2 4.2Å; P96-Y127 HydrophobicContact CB-CD1 3.62Å; P96-Y127 HydrophobicContact CB-CD2 4.28Å; P96-Y127 HydrophobicContact CB-CE1 3.72Å; P96-Y127 HydrophobicContact CB-CE2 4.4Å; P96-Y127 HydrophobicContact CB-CG 3.91Å; P96-Y127 HydrophobicContact CG-CD1 4.05Å; P96-Y127 HydrophobicContact CG-CE1 3.58Å; P96-Y127 HydrophobicContact CG-CE2 4.44Å; Y123-Y127 AromaticContact CD1-CD2 3.95Å; Y123-Y127 HydrophobicContact CD1-CD2 3.95Å; Y123-Y127 AromaticContact CD1-CE2 3.89Å; Y123-Y127 HydrophobicContact CD1-CE2 3.89Å; Y123-Y127 HydrophobicContact CE1-CE2 4.3Å; Y123-Y127 CarbonylContact O-C 3.56Å; Y123-Y127 WeakPolarHBondContact O-CA 3.45Å; Y123-Y127 PolarHBondContact O-N 3.26Å; K124-Y127 CarbonylContact O-C 3.26Å; Y127-E129 PolarHBondContact O-N 3.22Å; Y127-E129 VanDerWaalsContact O-N 3.1Å; Y127-R130 PolarHBondContact O-N 2.97Å; Y127-I131 PolarHBondContact O-N 2.88Å
128P97.7Very high98.4Very high45 Ų4520.8 Ų20.829%0.29210%0.095SC..THydrogen-bonded Turntrans-58-30.4-171.920.6-32.8000114.3I58 K124 R130I58-P128 HydrophobicContact CD1-CB 4.48Å; I58-P128 HydrophobicContact CG2-CB 4.23Å; K124-P128 PolarHBondContact NZ-O 2.98Å; K124-P128 WeakPolarHBondContact O-CA 3.37Å; K124-P128 WeakPolarHBondContact O-CD 3.22Å; K124-P128 VanDerWaalsContact O-N 3.1Å; P128-R130 VanDerWaalsContact C-N 3.34Å
129E96.9Very high98.4Very high131 Ų13120.8 Ų20.861%0.61210%0.095SC*.THydrogen-bonded Turntrans-86.81.4178.4-55.3-55.5139.200114.1Y127Y127-E129 PolarHBondContact O-N 3.22Å; Y127-E129 VanDerWaalsContact O-N 3.1Å
130R98Very high98.3Very high108 Ų10821.4 Ų21.441%0.40810%0.099SC..THydrogen-bonded Turntrans-116.1-20.8-178.4-58.8-64.9-171.3-135.58.8113.2P96 R99 Y100 Y127 P128P96-R130 HydrophobicContact CB-CG 4.11Å; R99-R130 CarbonylContact C-O 3.45Å; R99-R130 WeakPolarHBondContact CA-O 3.5Å; R99-R130 HydrophobicContact CG-CB 4.45Å; R99-R130 VanDerWaalsContact CG-CD 3.44Å; Y100-R130 PolarHBondContact N-O 2.85Å; Y127-R130 PolarHBondContact O-N 2.97Å; P128-R130 VanDerWaalsContact C-N 3.34Å
131I98.4Very high98.2Very high0 Ų026.6 Ų26.60%012%0.119CC..EExtended strand (participates in β ladder)trans-121.8123.9177.6-66.9-56.5000109.3P95 Y100 F102 K124 Y127 L133P95-I131 HydrophobicContact CB-CD1 4.15Å; P95-I131 HydrophobicContact CB-CG1 4.41Å; P95-I131 HydrophobicContact CG-CD1 3.62Å; P95-I131 HydrophobicContact CG-CG1 4.31Å; Y100-I131 HydrophobicContact CD2-CD1 4.01Å; Y100-I131 HydrophobicContact CG-CD1 4.31Å; F102-I131 HydrophobicContact CE2-CD1 4.36Å; K124-I131 HydrophobicContact CB-CG2 4.13Å; K124-I131 HydrophobicContact CD-CB 4.41Å; K124-I131 HydrophobicContact CD-CG2 4.29Å; K124-I131 WeakPolarHBondContact CD-O 3.28Å; K124-I131 WeakPolarHBondContact CE-O 3.35Å; K124-I131 PolarHBondContact NZ-O 3.03Å; Y127-I131 PolarHBondContact O-N 2.88Å; I131-L133 HydrophobicContact CG2-CD1 4.28Å; I131-L133 HydrophobicContact CG2-CD2 3.81Å; I131-L133 HydrophobicContact CG2-CG 3.83Å
132F98.9Very high98Very high13 Ų1331.8 Ų31.86%0.05715%0.15CC..EExtended strand (participates in β ladder)trans-117.9129.8174.2-53.9-79.5000108.2L66 V68 Y100 L101 F102L66-F132 HydrophobicContact CD1-CB 3.89Å; L66-F132 HydrophobicContact CD1-CD1 4.05Å; L66-F132 HydrophobicContact CD1-CG 4.4Å; V68-F132 HydrophobicContact CG1-CD2 3.8Å; V68-F132 HydrophobicContact CG1-CE2 3.57Å; V68-F132 HydrophobicContact CG1-CG 4.41Å; V68-F132 HydrophobicContact CG1-CZ 3.98Å; V68-F132 HydrophobicContact CG2-CD1 4.15Å; V68-F132 HydrophobicContact CG2-CD2 4.34Å; V68-F132 HydrophobicContact CG2-CE1 4.36Å; V68-F132 HydrophobicContact CG2-CG 4.14Å; Y100-F132 WeakPolarHBondContact O-CD2 3.13Å; Y100-F132 PolarHBondContact O-N 2.8Å; L101-F132 WeakPolarHBondContact CA-O 3.34Å; L101-F132 HydrophobicContact CB-CB 4.37Å; L101-F132 HydrophobicContact CD1-CB 3.59Å; F102-F132 PolarHBondContact N-O 2.93Å
133L98.9Very high97.9Very high0 Ų032.9 Ų32.90%016%0.156CC..EExtended strand (participates in β ladder)trans-124.3114.8-175.5-60.2178.7000108F59 F102 Y106 L120 F121 K124 I131 L176 P177F59-L133 HydrophobicContact CE1-CB 4.43Å; F59-L133 HydrophobicContact CZ-CD1 4.13Å; F102-L133 HydrophobicContact CB-CD2 3.93Å; F102-L133 HydrophobicContact CD2-CD2 3.74Å; F102-L133 HydrophobicContact CG-CD2 4.12Å; Y106-L133 HydrophobicContact CE1-CD2 4.47Å; Y106-L133 HydrophobicContact CE2-CB 4.4Å; Y106-L133 VanDerWaalsContact OH-CA 3.24Å; Y106-L133 WeakPolarHBondContact OH-CA 3.18Å; Y106-L133 WeakPolarHBondContact OH-CB 3.38Å; L120-L133 HydrophobicContact CB-CD1 4.07Å; L120-L133 HydrophobicContact CB-CD2 4.19Å; L120-L133 HydrophobicContact CD1-CD2 4.18Å; L120-L133 HydrophobicContact CD2-CD2 4.44Å; F121-L133 HydrophobicContact CD1-CD1 3.93Å; F121-L133 HydrophobicContact CE1-CD1 4.15Å; K124-L133 HydrophobicContact CB-CD1 4.23Å; I131-L133 HydrophobicContact CG2-CD1 4.28Å; I131-L133 HydrophobicContact CG2-CD2 3.81Å; I131-L133 HydrophobicContact CG2-CG 3.83Å; L133-L176 HydrophobicContact CB-CD2 3.99Å; L133-P177 WeakPolarHBondContact O-CD 3.44Å
134L98.9Very high97.7Very high0 Ų032.6 Ų32.60%016%0.155CC..  trans-89.2169.8171.7-55.2-173.6000110.9L66 L101 F102 M103 Y106 P177 A179 A180 C188L66-L134 HydrophobicContact CD1-CD2 3.87Å; L66-L134 HydrophobicContact CG-CD2 4.48Å; L101-L134 HydrophobicContact CD1-CD1 4.06Å; L101-L134 HydrophobicContact CD1-CD2 4.05Å; L101-L134 HydrophobicContact CD1-CG 3.75Å; F102-L134 PolarHBondContact O-N 2.88Å; M103-L134 HydrophobicContact CG-CD1 4.41Å; Y106-L134 WeakPolarHBondContact CE2-O 3.07Å; Y106-L134 PolarHBondContact OH-N 2.83Å; Y106-L134 VanDerWaalsContact OH-N 3.11Å; Y106-L134 PolarHBondContact OH-O 2.97Å; L134-P177 CarbonylContact C-O 3.21Å; L134-P177 VanDerWaalsContact CA-O 3.31Å; L134-P177 WeakPolarHBondContact CA-O 3.24Å; L134-P177 HydrophobicContact CD2-CB 4.16Å; L134-A179 VanDerWaalsContact CD2-C 3.45Å; L134-A179 WeakPolarHBondContact CD2-O 3.42Å; L134-A180 HydrophobicContact CD1-CB 4.24Å; L134-A180 HydrophobicContact CD2-CB 4.11Å; L134-C188 HydrophobicContact CD1-CB 4.14Å
135R98.8Very high97.5Very high3 Ų335.4 Ų35.41%0.01117%0.172CC..  trans-94.6124.1178.5-162.1177.2-175171.84.3111E139 F173 L176 P177 H190 V210 V222R135-E139 HydrophobicContact CG-CB 3.84Å; R135-E139 PolarHBondContact NE-O 2.96Å; R135-E139 PolarHBondContact NH2-O 3.15Å; R135-F173 PolarHBondContact NE-O 3.04Å; R135-L176 HydrophobicContact CB-CB 3.78Å; R135-L176 HydrophobicContact CB-CD1 4.43Å; R135-L176 HydrophobicContact CG-CB 4.08Å; R135-L176 HydrophobicContact CG-CD1 4.27Å; R135-P177 WeakPolarHBondContact CB-O 3.09Å; R135-P177 PolarHBondContact N-O 3.45Å; R135-H190 WeakPolarHBondContact O-CB 3.37Å; R135-V210 PolarHBondContact NH1-O 2.91Å; R135-V210 PolarHBondContact NH2-O 3.36Å; R135-V222 WeakPolarHBondContact O-CG1 3.32Å
136G98.8Very high97.3Very high0 Ų038.9 Ų38.90%019%0.192CC..  trans-89.4175.7164.800000112.4D105 H138 E139D105-G136 VanDerWaalsContact OD1-CA 3.31Å; D105-G136 WeakPolarHBondContact OD1-CA 3.34Å; G136-H138 VanDerWaalsContact C-N 3.26Å; G136-H138 PolarHBondContact O-N 2.9Å; G136-E139 WeakPolarHBondContact CA-OE2 3.31Å; G136-E139 PolarHBondContact N-OE2 3.01Å; G136-E139 PolarHBondContact O-N 3.2Å
137N98.5Very high97.1Very high2 Ų240.2 Ų40.21%0.01120%0.198CC..SBendtrans-70.3-27.1176.661.5-55.4000111.5D105 E139 C140 L143 H190 V222 W223 H265D105-N137 PolarHBondContact OD1-N 2.89Å; D105-N137 VanDerWaalsContact OD1-N 3.11Å; D105-N137 PolarHBondContact OD1-OD1 2.82Å; D105-N137 PolarHBondContact OD2-OD1 2.91Å; D105-N137 VanDerWaalsContact OD2-OD1 3.09Å; N137-E139 VanDerWaalsContact C-N 3.31Å; N137-E139 PolarHBondContact O-N 3.09Å; N137-C140 WeakPolarHBondContact O-CB 3.37Å; N137-L143 HydrophobicContact CB-CD1 4.02Å; N137-L143 WeakPolarHBondContact ND2-CD1 3.22Å; N137-L143 WeakPolarHBondContact O-CD1 3.19Å; N137-H190 PolarHBondContact OD1-CD2 2.72Å; N137-H190 PolarHBondContact OD1-NE2 2.81Å; N137-V222 HydrophobicContact CB-CB 4.38Å; N137-V222 HydrophobicContact CB-CG2 4.32Å; N137-V222 WeakPolarHBondContact CB-O 3.36Å; N137-W223 HydrophobicContact CB-CD2 3.86Å; N137-W223 HydrophobicContact CB-CE3 4.3Å; N137-W223 HydrophobicContact CB-CG 4.38Å; N137-W223 HydrophobicContact CB-CH2 4.32Å; N137-W223 HydrophobicContact CB-CZ2 3.86Å; N137-W223 VanDerWaalsContact ND2-CH2 3.26Å; N137-W223 WeakPolarHBondContact ND2-CH2 3.38Å; N137-W223 VanDerWaalsContact ND2-CZ3 3.29Å; N137-W223 WeakPolarHBondContact ND2-CZ3 3.4Å; N137-H265 PolarHBondContact OD1-CE1 3.27Å; N137-H265 VanDerWaalsContact OD1-CE1 3.3Å; N137-H265 PolarHBondContact OD1-ND1 2.78Å
138H98.4Very high97Very high9 Ų939 Ų394%0.04220%0.2CC..SBendtrans-75.3-14.9176.4-78.1-97.2000114H79 D105 V107 D108 G136 C140 N144 Y147H79-H138 AromaticContact CE1-CD2 3.53Å; H79-H138 AromaticContact CE1-CG 3.73Å; H79-H138 AromaticContact CE1-NE2 3.74Å; D105-H138 WeakPolarHBondContact OD1-CB 3.48Å; D105-H138 IonicContact OD1-CD2 2.76Å; D105-H138 IonicContact OD1-CG 2.65Å; D105-H138 PolarHBondContact OD1-N 3.19Å; D105-H138 IonicContact OD2-CD2 2.83Å; D105-H138 PolarHBondContact OD2-CD2 3.12Å; D105-H138 IonicContact OD2-CG 3.12Å; V107-H138 HydrophobicContact CG2-CB 4.47Å; D108-H138 VanDerWaalsContact CB-ND1 3.33Å; D108-H138 WeakPolarHBondContact CB-ND1 3.43Å; D108-H138 IonicContact OD2-CE1 3.31Å; D108-H138 IonicContact OD2-CG 3.22Å; D108-H138 IonicContact OD2-ND1 3.25Å; D108-H138 PolarHBondContact OD2-ND1 2.85Å; G136-H138 VanDerWaalsContact C-N 3.26Å; G136-H138 PolarHBondContact O-N 2.9Å; H138-C140 PolarHBondContact O-N 3.03Å; H138-N144 WeakPolarHBondContact O-CB 3.44Å; H138-N144 PolarHBondContact O-ND2 3.19Å; H138-Y147 AromaticContact CE1-CD2 3.83Å; H138-Y147 AromaticContact CE1-CG 3.95Å
139E98.6Very high97Very high0 Ų036.9 Ų36.90%019%0.186CC..SBendtrans-78.344.6166.1-7676.2-128.800111.8D105 Y106 R135 G136 N137 F173 L176D105-E139 PolarHBondContact N-OE2 2.76Å; Y106-E139 VanDerWaalsContact CD2-CD 3.47Å; Y106-E139 HydrophobicContact CD2-CG 3.89Å; Y106-E139 WeakPolarHBondContact CD2-OE1 3.46Å; Y106-E139 HydrophobicContact CE2-CG 4.3Å; Y106-E139 PolarHBondContact N-OE1 3.24Å; R135-E139 HydrophobicContact CG-CB 3.84Å; R135-E139 PolarHBondContact NE-O 2.96Å; R135-E139 PolarHBondContact NH2-O 3.15Å; G136-E139 WeakPolarHBondContact CA-OE2 3.31Å; G136-E139 PolarHBondContact N-OE2 3.01Å; G136-E139 PolarHBondContact O-N 3.2Å; N137-E139 VanDerWaalsContact C-N 3.31Å; N137-E139 PolarHBondContact O-N 3.09Å; E139-F173 HydrophobicContact CB-CB 3.92Å; E139-F173 HydrophobicContact CB-CD1 4.11Å; E139-F173 HydrophobicContact CB-CD2 4.12Å; E139-F173 HydrophobicContact CB-CG 3.8Å; E139-F173 HydrophobicContact CG-CB 4.46Å; E139-F173 HydrophobicContact CG-CD1 3.69Å; E139-F173 HydrophobicContact CG-CD2 4.16Å; E139-F173 HydrophobicContact CG-CE1 3.88Å; E139-F173 HydrophobicContact CG-CE2 4.33Å; E139-F173 HydrophobicContact CG-CG 3.85Å; E139-F173 HydrophobicContact CG-CZ 4.19Å; E139-F173 WeakPolarHBondContact O-CB 3.44Å; E139-L176 HydrophobicContact CB-CD1 4.01Å; E139-L176 HydrophobicContact CG-CD1 3.78Å
140C96.4Very high97Very high14 Ų1433.2 Ų33.210%0.09517%0.167CC..SBendtrans-136.4128.6177.6-176.30000110.4N137 H138 V142 L143 N144 V212N137-C140 WeakPolarHBondContact O-CB 3.37Å; H138-C140 PolarHBondContact O-N 3.03Å; C140-V142 PolarHBondContact O-N 2.99Å; C140-V142 VanDerWaalsContact O-N 3.11Å; C140-L143 PolarHBondContact O-N 3.21Å; C140-N144 PolarHBondContact O-N 3.04Å; C140-N144 PolarHBondContact O-ND2 2.86Å; C140-N144 PolarHBondContact O-OD1 2.66Å; C140-V212 HydrophobicContact CB-CB 4.4Å; C140-V212 HydrophobicContact CB-CG2 3.86Å
141R96.4Very high97Very high109 Ų10932.5 Ų32.541%0.41117%0.171SC..Hα-helixtrans-51.9-37.9179.5-172.4-174.8-174.487.3-8.7113L143 N144 V145 F166 D167R141-L143 VanDerWaalsContact C-N 3.28Å; R141-L143 PolarHBondContact O-N 3.45Å; R141-N144 VanDerWaalsContact CA-OD1 3.28Å; R141-N144 WeakPolarHBondContact CA-OD1 3.46Å; R141-N144 PolarHBondContact O-OD1 3.42Å; R141-V145 VanDerWaalsContact O-CB 3.31Å; R141-V145 WeakPolarHBondContact O-CB 3.37Å; R141-V145 VanDerWaalsContact O-CG1 3.28Å; R141-V145 WeakPolarHBondContact O-CG1 3.42Å; R141-V145 PolarHBondContact O-N 3.25Å; R141-F166 HydrophobicContact CG-CE1 3.97Å; R141-F166 HydrophobicContact CG-CZ 4.09Å; R141-D167 IonicContact CZ-OD1 3.38Å; R141-D167 VanDerWaalsContact CZ-OD1 3.22Å; R141-D167 IonicContact NH1-OD1 2.76Å; R141-D167 PolarHBondContact NH1-OD1 2.73Å; R141-D167 IonicContact NH2-OD1 3.98Å; R141-D167 PolarHBondContact NH2-OD1 2.97Å
142V94.9Very high96.8Very high109 Ų10933.3 Ų33.366%0.66118%0.175SC*.Hα-helixtrans-63.4-35.9-176.3178.40000111.4C140C140-V142 PolarHBondContact O-N 2.99Å; C140-V142 VanDerWaalsContact O-N 3.11Å
143L94.7Very high96.7Very high22 Ų2232.7 Ų32.712%0.11517%0.172CC..Hα-helixtrans-86.2-50.6177.5-61.2-170.5000111.5N137 C140 R141 V145 V146 Y147 W223N137-L143 HydrophobicContact CB-CD1 4.02Å; N137-L143 WeakPolarHBondContact ND2-CD1 3.22Å; N137-L143 WeakPolarHBondContact O-CD1 3.19Å; C140-L143 PolarHBondContact O-N 3.21Å; R141-L143 VanDerWaalsContact C-N 3.28Å; R141-L143 PolarHBondContact O-N 3.45Å; L143-V145 PolarHBondContact O-N 3.38Å; L143-V145 VanDerWaalsContact O-N 3.15Å; L143-V146 WeakPolarHBondContact O-CA 3.39Å; L143-V146 WeakPolarHBondContact O-CB 3.44Å; L143-V146 PolarHBondContact O-N 3.2Å; L143-Y147 HydrophobicContact CB-CD2 3.92Å; L143-Y147 HydrophobicContact CB-CE2 4.23Å; L143-Y147 HydrophobicContact CD2-CE2 3.96Å; L143-Y147 VanDerWaalsContact O-CD2 3.22Å; L143-Y147 WeakPolarHBondContact O-CD2 3.43Å; L143-Y147 PolarHBondContact O-N 2.83Å; L143-W223 HydrophobicContact CD1-CH2 3.54Å; L143-W223 HydrophobicContact CD1-CZ2 3.36Å; L143-W223 HydrophobicContact CD2-CH2 4.04Å; L143-W223 HydrophobicContact CD2-CZ2 3.94Å; L143-W223 HydrophobicContact CG-CH2 4.4Å; L143-W223 HydrophobicContact CG-CZ2 4.09Å
144N94.4Very high96.5Very high0 Ų034.4 Ų34.40%018%0.183CC..Hα-helixtrans-76.7-5-169.169.523.2000114.7V107 D108 H138 C140 R141 V146 F149 Y150 F166V107-N144 HydrophobicContact CG2-CB 4.22Å; D108-N144 WeakPolarHBondContact OD1-CA 3.42Å; D108-N144 WeakPolarHBondContact OD1-CB 3.38Å; D108-N144 WeakPolarHBondContact OD2-CA 3.1Å; D108-N144 WeakPolarHBondContact OD2-CB 3.1Å; H138-N144 WeakPolarHBondContact O-CB 3.44Å; H138-N144 PolarHBondContact O-ND2 3.19Å; C140-N144 PolarHBondContact O-N 3.04Å; C140-N144 PolarHBondContact O-ND2 2.86Å; C140-N144 PolarHBondContact O-OD1 2.66Å; R141-N144 VanDerWaalsContact CA-OD1 3.28Å; R141-N144 WeakPolarHBondContact CA-OD1 3.46Å; R141-N144 PolarHBondContact O-OD1 3.42Å; N144-V146 VanDerWaalsContact C-N 3.3Å; N144-F149 HydrophobicContact CB-CB 3.99Å; N144-F149 PolarHBondContact O-N 3Å; N144-Y150 PolarHBondContact O-N 3.02Å; N144-F166 WeakPolarHBondContact OD1-CE2 3.31Å; N144-F166 WeakPolarHBondContact OD1-CZ 3.07Å
145V95.5Very high96.3Very high59 Ų5939.4 Ų39.436%0.35822%0.218SC..THydrogen-bonded Turntrans-73.4-23.4162.576.40000112.8R141 L143 Y150 F166R141-V145 VanDerWaalsContact O-CB 3.31Å; R141-V145 WeakPolarHBondContact O-CB 3.37Å; R141-V145 VanDerWaalsContact O-CG1 3.28Å; R141-V145 WeakPolarHBondContact O-CG1 3.42Å; R141-V145 PolarHBondContact O-N 3.25Å; L143-V145 PolarHBondContact O-N 3.38Å; L143-V145 VanDerWaalsContact O-N 3.15Å; V145-Y150 HydrophobicContact CG2-CD1 4.33Å; V145-Y150 HydrophobicContact CG2-CD2 4.1Å; V145-Y150 HydrophobicContact CG2-CG 3.93Å; V145-F166 HydrophobicContact CB-CZ 4.18Å
146V94.3Very high96Very high98 Ų9843.1 Ų43.159%0.59423%0.234SC*.THydrogen-bonded Turntrans-104.4-37.9-176.1-1750000112L143 N144L143-V146 WeakPolarHBondContact O-CA 3.39Å; L143-V146 WeakPolarHBondContact O-CB 3.44Å; L143-V146 PolarHBondContact O-N 3.2Å; N144-V146 VanDerWaalsContact C-N 3.3Å
147Y94.4Very high95.8Very high75 Ų7544.7 Ų44.729%0.29424%0.24SC..SBendtrans-94.711.4-168.8-65.1-68.3000115.7D108 R109 H138 L143D108-Y147 WeakPolarHBondContact CA-O 3.41Å; D108-Y147 WeakPolarHBondContact CB-O 3.27Å; R109-Y147 VanDerWaalsContact CZ-CD1 3.46Å; R109-Y147 PolarHBondContact N-O 3.17Å; H138-Y147 AromaticContact CE1-CD2 3.83Å; H138-Y147 AromaticContact CE1-CG 3.95Å; L143-Y147 HydrophobicContact CB-CD2 3.92Å; L143-Y147 HydrophobicContact CB-CE2 4.23Å; L143-Y147 HydrophobicContact CD2-CE2 3.96Å; L143-Y147 VanDerWaalsContact O-CD2 3.22Å; L143-Y147 WeakPolarHBondContact O-CD2 3.43Å; L143-Y147 PolarHBondContact O-N 2.83Å
148G95.2Very high95.6Very high23 Ų2346.2 Ų46.224%0.23726%0.257CS..SBendtrans126.9-25.6160.900000115.7D108 Y150 D151 E152D108-G148 PolarHBondContact OD1-N 3.17Å; G148-Y150 PolarHBondContact O-N 3.3Å; G148-D151 PolarHBondContact O-N 3.45Å; G148-E152 WeakPolarHBondContact O-CB 3.34Å; G148-E152 PolarHBondContact O-N 3.47Å
149F97.6Very high95.4Very high0 Ų053 Ų530%029%0.286CS..Hα-helixtrans-63.7-44.1-175.1-172.4-132000112.2V107 D108 I117 N144 D151 E152 M153 F166 Y169 F173V107-F149 HydrophobicContact CB-CB 4.08Å; V107-F149 HydrophobicContact CB-CD1 4.33Å; V107-F149 HydrophobicContact CB-CD2 4.01Å; V107-F149 HydrophobicContact CB-CG 3.89Å; V107-F149 HydrophobicContact CG1-CD1 4.27Å; V107-F149 HydrophobicContact CG1-CD2 3.91Å; V107-F149 HydrophobicContact CG1-CE1 4.31Å; V107-F149 HydrophobicContact CG1-CE2 3.96Å; V107-F149 HydrophobicContact CG1-CG 4.09Å; V107-F149 HydrophobicContact CG1-CZ 4.16Å; V107-F149 HydrophobicContact CG2-CB 4.22Å; V107-F149 HydrophobicContact CG2-CD1 4.29Å; V107-F149 HydrophobicContact CG2-CG 4.21Å; D108-F149 WeakPolarHBondContact OD1-CB 3.46Å; D108-F149 PolarHBondContact OD1-N 2.86Å; I117-F149 HydrophobicContact CG2-CE2 4.31Å; I117-F149 HydrophobicContact CG2-CZ 4.21Å; N144-F149 HydrophobicContact CB-CB 3.99Å; N144-F149 PolarHBondContact O-N 3Å; F149-D151 PolarHBondContact O-N 3.26Å; F149-E152 WeakPolarHBondContact O-CB 3.01Å; F149-E152 PolarHBondContact O-N 2.99Å; F149-M153 HydrophobicContact CD2-CG 4.43Å; F149-M153 HydrophobicContact CD2-SD 4.48Å; F149-M153 HydrophobicContact CE2-CG 4.21Å; F149-M153 HydrophobicContact CE2-SD 3.81Å; F149-M153 HydrophobicContact CZ-CG 4.31Å; F149-M153 HydrophobicContact CZ-SD 4.03Å; F149-M153 VanDerWaalsContact O-CG 3.28Å; F149-M153 WeakPolarHBondContact O-CG 3.24Å; F149-M153 PolarHBondContact O-N 2.66Å; F149-F166 AromaticContact CD1-CD2 3.85Å; F149-F166 HydrophobicContact CD1-CD2 3.85Å; F149-F166 AromaticContact CD1-CE2 3.91Å; F149-F166 HydrophobicContact CD1-CE2 3.91Å; F149-F166 HydrophobicContact CE1-CD2 4.21Å; F149-Y169 HydrophobicContact CE1-CG 4.24Å; F149-Y169 HydrophobicContact CZ-CD1 4.21Å; F149-Y169 HydrophobicContact CZ-CD2 4.35Å; F149-Y169 AromaticContact CZ-CG 3.93Å; F149-Y169 HydrophobicContact CZ-CG 3.93Å; F149-F173 HydrophobicContact CD1-CE2 4.23Å; F149-F173 AromaticContact CE1-CE2 3.86Å; F149-F173 HydrophobicContact CE1-CE2 3.86Å; F149-F173 HydrophobicContact CE1-CZ 4.06Å
150Y97.6Very high95.3Very high54 Ų5461.3 Ų61.321%0.21233%0.325CS..Hα-helixtrans-57.4-48174.9175.9-93.4000112.7N144 V145 G148 E152 M153 V154 I163 F166N144-Y150 PolarHBondContact O-N 3.02Å; V145-Y150 HydrophobicContact CG2-CD1 4.33Å; V145-Y150 HydrophobicContact CG2-CD2 4.1Å; V145-Y150 HydrophobicContact CG2-CG 3.93Å; G148-Y150 PolarHBondContact O-N 3.3Å; Y150-E152 VanDerWaalsContact C-N 3.31Å; Y150-E152 PolarHBondContact O-N 2.85Å; Y150-M153 PolarHBondContact O-N 2.84Å; Y150-V154 HydrophobicContact CD1-CG2 4.32Å; Y150-V154 HydrophobicContact CE1-CG2 3.86Å; Y150-V154 HydrophobicContact CE2-CG2 4.31Å; Y150-V154 PolarHBondContact O-N 3.44Å; Y150-I163 HydrophobicContact CE2-CG1 3.84Å; Y150-I163 WeakPolarHBondContact OH-CD1 3.48Å; Y150-I163 WeakPolarHBondContact OH-CG1 3.5Å; Y150-F166 HydrophobicContact CD2-CB 4.41Å; Y150-F166 AromaticContact CD2-CD1 3.58Å; Y150-F166 HydrophobicContact CD2-CD1 3.58Å; Y150-F166 HydrophobicContact CD2-CD2 4.17Å; Y150-F166 AromaticContact CD2-CE1 3.7Å; Y150-F166 HydrophobicContact CD2-CE1 3.7Å; Y150-F166 HydrophobicContact CD2-CE2 4.3Å; Y150-F166 AromaticContact CD2-CG 3.8Å; Y150-F166 HydrophobicContact CD2-CG 3.8Å; Y150-F166 HydrophobicContact CD2-CZ 4.07Å; Y150-F166 HydrophobicContact CE2-CD1 4.22Å; Y150-F166 HydrophobicContact CE2-CE1 4.49Å
151D96.6Very high95.2Very high92 Ų9265 Ų6549%0.49234%0.341SS..Hα-helixtrans-65.4-36.9-179.9-72-26000111.5G148 F149 V154 S155G148-D151 PolarHBondContact O-N 3.45Å; F149-D151 PolarHBondContact O-N 3.26Å; D151-V154 PolarHBondContact O-N 3.42Å; D151-S155 WeakPolarHBondContact O-CB 3.38Å; D151-S155 PolarHBondContact O-N 3.03Å
152E95.4Very high95.2Very high18 Ų1859.8 Ų59.88%0.08432%0.321CS..Hα-helixtrans-59.6-46.6173.2-171.5-174.5145.400111S113 L114 G148 F149 Y150 S155 K156S113-E152 WeakPolarHBondContact CA-OE2 3.11Å; S113-E152 WeakPolarHBondContact CB-OE2 3.41Å; S113-E152 PolarHBondContact N-OE1 2.7Å; S113-E152 PolarHBondContact N-OE2 3.42Å; L114-E152 WeakPolarHBondContact CB-OE1 3.1Å; L114-E152 PolarHBondContact N-OE1 2.92Å; G148-E152 WeakPolarHBondContact O-CB 3.34Å; G148-E152 PolarHBondContact O-N 3.47Å; F149-E152 WeakPolarHBondContact O-CB 3.01Å; F149-E152 PolarHBondContact O-N 2.99Å; Y150-E152 VanDerWaalsContact C-N 3.31Å; Y150-E152 PolarHBondContact O-N 2.85Å; E152-S155 PolarHBondContact O-N 2.99Å; E152-K156 HydrophobicContact CG-CD 3.97Å; E152-K156 HydrophobicContact CG-CG 4.49Å; E152-K156 WeakPolarHBondContact O-CB 3.44Å; E152-K156 WeakPolarHBondContact O-CG 3.24Å; E152-K156 PolarHBondContact O-N 3.49Å; E152-K156 WeakPolarHBondContact OE1-CE 3.41Å; E152-K156 IonicContact OE1-NZ 2.99Å; E152-K156 PolarHBondContact OE1-NZ 2.87Å
153M95.9Very high95.3Very high0 Ų056.8 Ų56.80%030%0.301CS..Hα-helixtrans-63-47.2178.5-61.9-53.9-75.800111.7L114 F149 Y150 S155 K156 F157 G162 L165 F166 Y169L114-M153 HydrophobicContact CB-SD 4.32Å; L114-M153 HydrophobicContact CD1-CE 4.06Å; L114-M153 HydrophobicContact CD1-SD 3.85Å; L114-M153 HydrophobicContact CD2-SD 4.11Å; L114-M153 HydrophobicContact CG-SD 4.33Å; F149-M153 HydrophobicContact CD2-CG 4.43Å; F149-M153 HydrophobicContact CD2-SD 4.48Å; F149-M153 HydrophobicContact CE2-CG 4.21Å; F149-M153 HydrophobicContact CE2-SD 3.81Å; F149-M153 HydrophobicContact CZ-CG 4.31Å; F149-M153 HydrophobicContact CZ-SD 4.03Å; F149-M153 VanDerWaalsContact O-CG 3.28Å; F149-M153 WeakPolarHBondContact O-CG 3.24Å; F149-M153 PolarHBondContact O-N 2.66Å; Y150-M153 PolarHBondContact O-N 2.84Å; M153-S155 VanDerWaalsContact C-N 3.33Å; M153-S155 PolarHBondContact O-N 3.37Å; M153-K156 PolarHBondContact O-N 2.89Å; M153-F157 HydrophobicContact CE-CD2 4.45Å; M153-F157 HydrophobicContact CE-CE2 4.22Å; M153-F157 WeakPolarHBondContact O-CD2 3.37Å; M153-F157 PolarHBondContact O-N 2.68Å; M153-F157 VanDerWaalsContact O-N 3.08Å; M153-G162 WeakPolarHBondContact CB-O 3.43Å; M153-G162 WeakPolarHBondContact O-CA 3.42Å; M153-L165 HydrophobicContact CE-CB 3.21Å; M153-L165 HydrophobicContact CE-CD1 4Å; M153-L165 HydrophobicContact CE-CG 4.18Å; M153-F166 HydrophobicContact CB-CB 4.26Å; M153-F166 HydrophobicContact CG-CB 4.14Å; M153-F166 HydrophobicContact CG-CD2 4.49Å; M153-Y169 HydrophobicContact CE-CD2 4.16Å; M153-Y169 HydrophobicContact CE-CE2 4.2Å
154V95.8Very high95.4Very high36 Ų3658.3 Ų58.322%0.21831%0.313CS..Hα-helixtrans-64-39.2178.4169.70000111.5Y150 D151 G158 I163Y150-V154 HydrophobicContact CD1-CG2 4.32Å; Y150-V154 HydrophobicContact CE1-CG2 3.86Å; Y150-V154 HydrophobicContact CE2-CG2 4.31Å; Y150-V154 PolarHBondContact O-N 3.44Å; D151-V154 PolarHBondContact O-N 3.42Å; V154-G158 CarbonylContact O-C 3.53Å; V154-G158 VanDerWaalsContact O-C 3.31Å; V154-G158 WeakPolarHBondContact O-CA 3.46Å; V154-G158 PolarHBondContact O-N 3.46Å; V154-I163 HydrophobicContact CG2-CG1 4.13Å
155S93.9Very high95.5Very high105 Ų10558.4 Ų58.473%0.73431%0.313SS*.Hα-helixtrans-67.4-41.9178.8-177.60000112.2D151 E152 M153D151-S155 WeakPolarHBondContact O-CB 3.38Å; D151-S155 PolarHBondContact O-N 3.03Å; E152-S155 PolarHBondContact O-N 2.99Å; M153-S155 VanDerWaalsContact C-N 3.33Å; M153-S155 PolarHBondContact O-N 3.37Å
156K92.8Very high95.6Very high80 Ų8055.6 Ų55.635%0.34830%0.296SS..Hα-helixtrans-76.9-35.5-176.6-72.8-178179177.20113.8L114 E115 E152 M153L114-K156 HydrophobicContact CD2-CD 4.04Å; E115-K156 IonicContact OE1-NZ 3.7Å; E115-K156 PolarHBondContact OE1-NZ 2.74Å; E115-K156 IonicContact OE2-NZ 3.49Å; E115-K156 PolarHBondContact OE2-NZ 3.11Å; E152-K156 HydrophobicContact CG-CD 3.97Å; E152-K156 HydrophobicContact CG-CG 4.49Å; E152-K156 WeakPolarHBondContact O-CB 3.44Å; E152-K156 WeakPolarHBondContact O-CG 3.24Å; E152-K156 PolarHBondContact O-N 3.49Å; E152-K156 WeakPolarHBondContact OE1-CE 3.41Å; E152-K156 IonicContact OE1-NZ 2.99Å; E152-K156 PolarHBondContact OE1-NZ 2.87Å; M153-K156 PolarHBondContact O-N 2.89Å
157F93.8Very high95.7Very high33 Ų3352.3 Ų52.315%0.14528%0.276CS..Hα-helixtrans-115.6-3.6-173.1-61.1-89.1000114.3Y43 L48 L114 M153 E161 L165Y43-F157 AromaticContact CD2-CZ 3.78Å; Y43-F157 HydrophobicContact CD2-CZ 3.78Å; Y43-F157 AromaticContact CG-CZ 4Å; Y43-F157 HydrophobicContact CG-CZ 4Å; L48-F157 HydrophobicContact CD1-CE1 4.13Å; L48-F157 HydrophobicContact CD1-CE2 4.42Å; L48-F157 HydrophobicContact CD1-CZ 3.59Å; L114-F157 HydrophobicContact CD2-CE2 3.45Å; L114-F157 VanDerWaalsContact CD2-CE2 3.45Å; L114-F157 HydrophobicContact CD2-CZ 3.79Å; M153-F157 HydrophobicContact CE-CD2 4.45Å; M153-F157 HydrophobicContact CE-CE2 4.22Å; M153-F157 WeakPolarHBondContact O-CD2 3.37Å; M153-F157 PolarHBondContact O-N 2.68Å; M153-F157 VanDerWaalsContact O-N 3.08Å; F157-E161 HydrophobicContact CB-CB 4.04Å; F157-E161 HydrophobicContact CB-CG 3.98Å; F157-E161 HydrophobicContact CD1-CG 4.33Å; F157-E161 HydrophobicContact CG-CG 4.46Å; F157-L165 HydrophobicContact CB-CD1 4.3Å; F157-L165 HydrophobicContact CD1-CD1 3.63Å; F157-L165 HydrophobicContact CD2-CD1 3.67Å; F157-L165 HydrophobicContact CE1-CD1 3.76Å; F157-L165 HydrophobicContact CE2-CD1 3.81Å; F157-L165 HydrophobicContact CG-CD1 3.58Å; F157-L165 HydrophobicContact CZ-CD1 3.86Å
158G94.3Very high95.8Very high34 Ų3449.5 Ų49.535%0.35126%0.264SS..  trans79.3171-167.900000112.1V154 G162V154-G158 CarbonylContact O-C 3.53Å; V154-G158 VanDerWaalsContact O-C 3.31Å; V154-G158 WeakPolarHBondContact O-CA 3.46Å; V154-G158 PolarHBondContact O-N 3.46Å; G158-G162 VanDerWaalsContact O-CA 3.29Å; G158-G162 WeakPolarHBondContact O-CA 3.45Å; G158-G162 PolarHBondContact O-N 2.86Å
159K94.8Very high96Very high152 Ų15248.4 Ų48.466%0.66125%0.253SS*.Hα-helixtrans-60.8-52.2-167.8-171.9175.5-178.7177.90113.7I163K159-I163 HydrophobicContact CG-CD1 3.76Å; K159-I163 WeakPolarHBondContact O-CB 3.29Å; K159-I163 VanDerWaalsContact O-CD1 3.27Å; K159-I163 WeakPolarHBondContact O-CD1 3.12Å; K159-I163 WeakPolarHBondContact O-CG1 3.45Å; K159-I163 PolarHBondContact O-N 3.36Å; K159-I163 VanDerWaalsContact O-N 3.07Å
160E95.9Very high96Very high175 Ų17549 Ų4982%0.81826%0.257SS*.Hα-helixtrans-70.4-52.5-172.9-65.2-176.4177.700112.2C164E160-C164 PolarHBondContact O-N 3.06Å; E160-C164 VanDerWaalsContact O-N 3.08Å
161E95.3Very high95.9Very high90 Ų9048.7 Ų48.742%0.42126%0.256SS..Hα-helixtrans-67.6-39.3179.6-174.6174-174.100111.7G45 F157 C164 L165G45-E161 WeakPolarHBondContact CA-OE1 3.09Å; F157-E161 HydrophobicContact CB-CB 4.04Å; F157-E161 HydrophobicContact CB-CG 3.98Å; F157-E161 HydrophobicContact CD1-CG 4.33Å; F157-E161 HydrophobicContact CG-CG 4.46Å; E161-C164 WeakPolarHBondContact O-CB 3.48Å; E161-C164 PolarHBondContact O-N 3.1Å; E161-L165 HydrophobicContact CG-CD1 4.09Å; E161-L165 WeakPolarHBondContact O-CG 3.13Å; E161-L165 PolarHBondContact O-N 3.07Å
162G96.2Very high96Very high0 Ų044.3 Ų44.30%023%0.232CC..Hα-helixtrans-61.7-44.6176.600000113M153 G158 L165 F166M153-G162 WeakPolarHBondContact CB-O 3.43Å; M153-G162 WeakPolarHBondContact O-CA 3.42Å; G158-G162 VanDerWaalsContact O-CA 3.29Å; G158-G162 WeakPolarHBondContact O-CA 3.45Å; G158-G162 PolarHBondContact O-N 2.86Å; G162-L165 PolarHBondContact O-N 2.92Å; G162-F166 WeakPolarHBondContact O-CB 3.48Å; G162-F166 PolarHBondContact O-N 3.04Å
163I97.1Very high96.1Very high46 Ų4643.5 Ų43.524%0.23623%0.228CC..Hα-helixtrans-62.4-44.5174.3-69.3167.8000110.6Y150 V154 K159 L165 F166 D167Y150-I163 HydrophobicContact CE2-CG1 3.84Å; Y150-I163 WeakPolarHBondContact OH-CD1 3.48Å; Y150-I163 WeakPolarHBondContact OH-CG1 3.5Å; V154-I163 HydrophobicContact CG2-CG1 4.13Å; K159-I163 HydrophobicContact CG-CD1 3.76Å; K159-I163 WeakPolarHBondContact O-CB 3.29Å; K159-I163 VanDerWaalsContact O-CD1 3.27Å; K159-I163 WeakPolarHBondContact O-CD1 3.12Å; K159-I163 WeakPolarHBondContact O-CG1 3.45Å; K159-I163 PolarHBondContact O-N 3.36Å; K159-I163 VanDerWaalsContact O-N 3.07Å; I163-L165 PolarHBondContact O-N 2.8Å; I163-F166 PolarHBondContact O-N 2.88Å; I163-D167 VanDerWaalsContact O-CG 3.29Å; I163-D167 PolarHBondContact O-N 3.32Å
164C96.2Very high96.2Very high55 Ų5544 Ų4437%0.37223%0.232SC..Hα-helixtrans-58.9-48.1179.1-175.50000111.9E160 E161 D167 W168E160-C164 PolarHBondContact O-N 3.06Å; E160-C164 VanDerWaalsContact O-N 3.08Å; E161-C164 WeakPolarHBondContact O-CB 3.48Å; E161-C164 PolarHBondContact O-N 3.1Å; C164-D167 PolarHBondContact O-N 2.81Å; C164-W168 VanDerWaalsContact O-CD1 3.27Å; C164-W168 PolarHBondContact O-N 2.86Å; C164-W168 VanDerWaalsContact O-N 3.15Å
165L96.9Very high96.3Very high1 Ų143.8 Ų43.81%0.00523%0.227CC..Hα-helixtrans-64.2-43.7177.4-72.1165.9000111.6L48 I49 M153 F157 E161 G162 I163 D167 W168 Y169L48-L165 HydrophobicContact CB-CD2 3.81Å; L48-L165 HydrophobicContact CD1-CD1 4.38Å; L48-L165 HydrophobicContact CD1-CD2 4.37Å; I49-L165 HydrophobicContact CD1-CD2 4.34Å; I49-L165 HydrophobicContact CG1-CD2 3.7Å; M153-L165 HydrophobicContact CE-CB 3.21Å; M153-L165 HydrophobicContact CE-CD1 4Å; M153-L165 HydrophobicContact CE-CG 4.18Å; F157-L165 HydrophobicContact CB-CD1 4.3Å; F157-L165 HydrophobicContact CD1-CD1 3.63Å; F157-L165 HydrophobicContact CD2-CD1 3.67Å; F157-L165 HydrophobicContact CE1-CD1 3.76Å; F157-L165 HydrophobicContact CE2-CD1 3.81Å; F157-L165 HydrophobicContact CG-CD1 3.58Å; F157-L165 HydrophobicContact CZ-CD1 3.86Å; E161-L165 HydrophobicContact CG-CD1 4.09Å; E161-L165 WeakPolarHBondContact O-CG 3.13Å; E161-L165 PolarHBondContact O-N 3.07Å; G162-L165 PolarHBondContact O-N 2.92Å; I163-L165 PolarHBondContact O-N 2.8Å; L165-D167 VanDerWaalsContact C-N 3.28Å; L165-D167 PolarHBondContact O-N 2.97Å; L165-W168 WeakPolarHBondContact O-CB 3.41Å; L165-W168 PolarHBondContact O-N 3.05Å; L165-W168 VanDerWaalsContact O-N 3.11Å; L165-Y169 WeakPolarHBondContact O-CD2 3.28Å; L165-Y169 PolarHBondContact O-N 3.49Å
166F97.4Very high96.6Very high0 Ų038.8 Ų38.80%019%0.192CC..Hα-helixtrans-57-41.3175.8174.7-101.1000112.3R141 N144 V145 F149 Y150 M153 G162 I163 W168 Y169 S170R141-F166 HydrophobicContact CG-CE1 3.97Å; R141-F166 HydrophobicContact CG-CZ 4.09Å; N144-F166 WeakPolarHBondContact OD1-CE2 3.31Å; N144-F166 WeakPolarHBondContact OD1-CZ 3.07Å; V145-F166 HydrophobicContact CB-CZ 4.18Å; F149-F166 AromaticContact CD1-CD2 3.85Å; F149-F166 HydrophobicContact CD1-CD2 3.85Å; F149-F166 AromaticContact CD1-CE2 3.91Å; F149-F166 HydrophobicContact CD1-CE2 3.91Å; F149-F166 HydrophobicContact CE1-CD2 4.21Å; Y150-F166 HydrophobicContact CD2-CB 4.41Å; Y150-F166 AromaticContact CD2-CD1 3.58Å; Y150-F166 HydrophobicContact CD2-CD1 3.58Å; Y150-F166 HydrophobicContact CD2-CD2 4.17Å; Y150-F166 AromaticContact CD2-CE1 3.7Å; Y150-F166 HydrophobicContact CD2-CE1 3.7Å; Y150-F166 HydrophobicContact CD2-CE2 4.3Å; Y150-F166 AromaticContact CD2-CG 3.8Å; Y150-F166 HydrophobicContact CD2-CG 3.8Å; Y150-F166 HydrophobicContact CD2-CZ 4.07Å; Y150-F166 HydrophobicContact CE2-CD1 4.22Å; Y150-F166 HydrophobicContact CE2-CE1 4.49Å; M153-F166 HydrophobicContact CB-CB 4.26Å; M153-F166 HydrophobicContact CG-CB 4.14Å; M153-F166 HydrophobicContact CG-CD2 4.49Å; G162-F166 WeakPolarHBondContact O-CB 3.48Å; G162-F166 PolarHBondContact O-N 3.04Å; I163-F166 PolarHBondContact O-N 2.88Å; F166-W168 VanDerWaalsContact C-N 3.35Å; F166-Y169 PolarHBondContact O-N 3.37Å; F166-S170 VanDerWaalsContact O-CB 3.22Å; F166-S170 WeakPolarHBondContact O-CB 3.44Å; F166-S170 PolarHBondContact O-N 3.03Å; F166-S170 PolarHBondContact O-OG 3.44Å
167D96.4Very high96.9Very high30 Ų3035 Ų3516%0.1618%0.175CC..Hα-helixtrans-64.1-39.3176.6-70.4-17000111.6R141 I163 C164 L165 R171R141-D167 IonicContact CZ-OD1 3.38Å; R141-D167 VanDerWaalsContact CZ-OD1 3.22Å; R141-D167 IonicContact NH1-OD1 2.76Å; R141-D167 PolarHBondContact NH1-OD1 2.73Å; R141-D167 IonicContact NH2-OD1 3.98Å; R141-D167 PolarHBondContact NH2-OD1 2.97Å; I163-D167 VanDerWaalsContact O-CG 3.29Å; I163-D167 PolarHBondContact O-N 3.32Å; C164-D167 PolarHBondContact O-N 2.81Å; L165-D167 VanDerWaalsContact C-N 3.28Å; L165-D167 PolarHBondContact O-N 2.97Å; D167-R171 WeakPolarHBondContact O-CB 3.35Å; D167-R171 PolarHBondContact O-N 2.62Å
168W97.6Very high97.1Very high15 Ų1533.4 Ų33.46%0.05717%0.169CC..Hα-helixtrans-64.3-48.5174.1-84.2110000112.9L7 A10 L11 I49 V52 C53 I56 C164 L165 F166 R171 A172L7-W168 HydrophobicContact CB-CH2 4.17Å; L7-W168 HydrophobicContact CB-CZ3 4.24Å; L7-W168 HydrophobicContact CD2-CD2 3.81Å; L7-W168 VanDerWaalsContact CD2-CE2 3.43Å; L7-W168 HydrophobicContact CD2-CE3 4.14Å; L7-W168 HydrophobicContact CD2-CG 4.43Å; L7-W168 HydrophobicContact CD2-CH2 3.82Å; L7-W168 HydrophobicContact CD2-CZ2 3.46Å; L7-W168 VanDerWaalsContact CD2-CZ2 3.46Å; L7-W168 HydrophobicContact CD2-CZ3 4.14Å; L7-W168 WeakPolarHBondContact O-CH2 3.24Å; A10-W168 HydrophobicContact CB-CH2 3.79Å; A10-W168 HydrophobicContact CB-CZ2 3.73Å; L11-W168 HydrophobicContact CB-CH2 4.28Å; L11-W168 HydrophobicContact CB-CZ3 4.25Å; I49-W168 HydrophobicContact CG1-CG 4.27Å; I49-W168 HydrophobicContact CG2-CD2 4.15Å; I49-W168 HydrophobicContact CG2-CG 4.35Å; I49-W168 HydrophobicContact CG2-CZ2 4.19Å; V52-W168 HydrophobicContact CG1-CB 4.09Å; V52-W168 VanDerWaalsContact CG1-O 3.32Å; V52-W168 WeakPolarHBondContact CG1-O 3.44Å; C53-W168 VanDerWaalsContact SG-CZ3 3.56Å; I56-W168 HydrophobicContact CD1-CE3 4.3Å; I56-W168 HydrophobicContact CD1-CZ3 4.41Å; C164-W168 VanDerWaalsContact O-CD1 3.27Å; C164-W168 PolarHBondContact O-N 2.86Å; C164-W168 VanDerWaalsContact O-N 3.15Å; L165-W168 WeakPolarHBondContact O-CB 3.41Å; L165-W168 PolarHBondContact O-N 3.05Å; L165-W168 VanDerWaalsContact O-N 3.11Å; F166-W168 VanDerWaalsContact C-N 3.35Å; W168-R171 WeakPolarHBondContact O-CB 3.33Å; W168-R171 PolarHBondContact O-N 3.36Å; W168-A172 PolarHBondContact O-N 2.8Å
169Y98.1Very high97.3Very high0 Ų031.8 Ų31.80%015%0.152CC..Hα-helixtrans-63.3-42.7176.3-82.7-88.1000111.3V52 L114 I117 T118 F121 F149 M153 L165 F166 R171 A172 F173V52-Y169 HydrophobicContact CG2-CD1 3.95Å; V52-Y169 HydrophobicContact CG2-CD2 3.87Å; V52-Y169 HydrophobicContact CG2-CE1 3.66Å; V52-Y169 HydrophobicContact CG2-CE2 3.58Å; V52-Y169 HydrophobicContact CG2-CG 4.05Å; V52-Y169 VanDerWaalsContact CG2-CZ 3.47Å; L114-Y169 HydrophobicContact CD1-CE2 4Å; I117-Y169 HydrophobicContact CB-CE1 4.49Å; I117-Y169 HydrophobicContact CG1-CD1 4.18Å; I117-Y169 HydrophobicContact CG1-CE1 4.16Å; I117-Y169 HydrophobicContact CG2-CD1 3.94Å; I117-Y169 HydrophobicContact CG2-CE1 3.57Å; T118-Y169 PolarHBondContact OG1-OH 3.29Å; F121-Y169 HydrophobicContact CD2-CD1 4.33Å; F121-Y169 AromaticContact CD2-CE1 3.9Å; F121-Y169 HydrophobicContact CD2-CE1 3.9Å; F121-Y169 AromaticContact CE2-CD1 3.81Å; F121-Y169 HydrophobicContact CE2-CD1 3.81Å; F121-Y169 AromaticContact CE2-CE1 3.87Å; F121-Y169 HydrophobicContact CE2-CE1 3.87Å; F149-Y169 HydrophobicContact CE1-CG 4.24Å; F149-Y169 HydrophobicContact CZ-CD1 4.21Å; F149-Y169 HydrophobicContact CZ-CD2 4.35Å; F149-Y169 AromaticContact CZ-CG 3.93Å; F149-Y169 HydrophobicContact CZ-CG 3.93Å; M153-Y169 HydrophobicContact CE-CD2 4.16Å; M153-Y169 HydrophobicContact CE-CE2 4.2Å; L165-Y169 WeakPolarHBondContact O-CD2 3.28Å; L165-Y169 PolarHBondContact O-N 3.49Å; F166-Y169 PolarHBondContact O-N 3.37Å; Y169-R171 PolarHBondContact O-N 3.18Å; Y169-A172 WeakPolarHBondContact O-CB 3.15Å; Y169-A172 PolarHBondContact O-N 2.81Å; Y169-F173 HydrophobicContact CD1-CZ 4.42Å; Y169-F173 WeakPolarHBondContact O-CD2 3.06Å; Y169-F173 VanDerWaalsContact O-CG 3.25Å; Y169-F173 WeakPolarHBondContact O-CG 3.49Å; Y169-F173 PolarHBondContact O-N 2.8Å
170S97.4Very high97.5Very high12 Ų1224.6 Ų24.68%0.08412%0.12CC..Hα-helixtrans-55.2-41.7173.2-67.60000111.4F166 F173 T174F166-S170 VanDerWaalsContact O-CB 3.22Å; F166-S170 WeakPolarHBondContact O-CB 3.44Å; F166-S170 PolarHBondContact O-N 3.03Å; F166-S170 PolarHBondContact O-OG 3.44Å; S170-F173 PolarHBondContact O-N 2.68Å; S170-T174 WeakPolarHBondContact O-CG2 3.49Å; S170-T174 PolarHBondContact O-N 3.43Å
171R96.3Very high97.6Very high49 Ų4916.9 Ų16.919%0.1859%0.085CC..Hα-helixtrans-63.9-44.1175.6-17957.4172.5162.2-9.1111.6L7 D8 I56 D167 W168 Y169 F173 T174 P209L7-R171 HydrophobicContact CD1-CB 3.94Å; L7-R171 HydrophobicContact CD1-CG 4.19Å; D8-R171 IonicContact OD1-CZ 2.86Å; D8-R171 IonicContact OD1-NE 2.66Å; D8-R171 PolarHBondContact OD1-NE 3.02Å; D8-R171 IonicContact OD1-NH2 2.68Å; D8-R171 PolarHBondContact OD1-NH2 3Å; D8-R171 IonicContact OD2-NH2 3.48Å; D8-R171 PolarHBondContact OD2-NH2 2.93Å; I56-R171 HydrophobicContact CD1-CG 4.12Å; D167-R171 WeakPolarHBondContact O-CB 3.35Å; D167-R171 PolarHBondContact O-N 2.62Å; W168-R171 WeakPolarHBondContact O-CB 3.33Å; W168-R171 PolarHBondContact O-N 3.36Å; Y169-R171 PolarHBondContact O-N 3.18Å; R171-F173 VanDerWaalsContact C-N 3.31Å; R171-F173 PolarHBondContact O-N 3.21Å; R171-T174 PolarHBondContact NH1-OG1 3.37Å; R171-T174 PolarHBondContact O-N 2.89Å; R171-T174 PolarHBondContact O-OG1 3.36Å; R171-P209 VanDerWaalsContact NH1-CB 3.32Å
172A98.1Very high97.8Very high0 Ų012.6 Ų12.60%07%0.065CC..Hα-helixtrans-60.4-40.3176.200000113V52 I56 F121 W168 Y169 T174 W175 L176V52-A172 HydrophobicContact CG1-CB 3.73Å; I56-A172 HydrophobicContact CD1-CB 4.05Å; I56-A172 HydrophobicContact CG1-CB 3.63Å; F121-A172 HydrophobicContact CE2-CB 3.91Å; F121-A172 HydrophobicContact CZ-CB 4.03Å; W168-A172 PolarHBondContact O-N 2.8Å; Y169-A172 WeakPolarHBondContact O-CB 3.15Å; Y169-A172 PolarHBondContact O-N 2.81Å; A172-T174 PolarHBondContact O-N 3.4Å; A172-W175 WeakPolarHBondContact O-CB 3.45Å; A172-W175 PolarHBondContact O-N 3.11Å; A172-L176 PolarHBondContact O-N 2.79Å
173F98.5Very high97.9Very high1 Ų115.6 Ų15.60%0.0048%0.081CC..Hα-helixtrans-60.2-32176.8-62.8-22000113.4V107 I117 F121 R135 E139 F149 Y169 S170 R171 W175 L176V107-F173 HydrophobicContact CG1-CZ 4Å; V107-F173 HydrophobicContact CG2-CE2 4.36Å; I117-F173 HydrophobicContact CD1-CE1 3.99Å; I117-F173 HydrophobicContact CG1-CE1 3.84Å; I117-F173 HydrophobicContact CG1-CZ 4.08Å; F121-F173 HydrophobicContact CZ-CD1 4.3Å; F121-F173 AromaticContact CZ-CE1 3.99Å; F121-F173 HydrophobicContact CZ-CE1 3.99Å; R135-F173 PolarHBondContact NE-O 3.04Å; E139-F173 HydrophobicContact CB-CB 3.92Å; E139-F173 HydrophobicContact CB-CD1 4.11Å; E139-F173 HydrophobicContact CB-CD2 4.12Å; E139-F173 HydrophobicContact CB-CG 3.8Å; E139-F173 HydrophobicContact CG-CB 4.46Å; E139-F173 HydrophobicContact CG-CD1 3.69Å; E139-F173 HydrophobicContact CG-CD2 4.16Å; E139-F173 HydrophobicContact CG-CE1 3.88Å; E139-F173 HydrophobicContact CG-CE2 4.33Å; E139-F173 HydrophobicContact CG-CG 3.85Å; E139-F173 HydrophobicContact CG-CZ 4.19Å; E139-F173 WeakPolarHBondContact O-CB 3.44Å; F149-F173 HydrophobicContact CD1-CE2 4.23Å; F149-F173 AromaticContact CE1-CE2 3.86Å; F149-F173 HydrophobicContact CE1-CE2 3.86Å; F149-F173 HydrophobicContact CE1-CZ 4.06Å; Y169-F173 HydrophobicContact CD1-CZ 4.42Å; Y169-F173 WeakPolarHBondContact O-CD2 3.06Å; Y169-F173 VanDerWaalsContact O-CG 3.25Å; Y169-F173 WeakPolarHBondContact O-CG 3.49Å; Y169-F173 PolarHBondContact O-N 2.8Å; S170-F173 PolarHBondContact O-N 2.68Å; R171-F173 VanDerWaalsContact C-N 3.31Å; R171-F173 PolarHBondContact O-N 3.21Å; F173-W175 PolarHBondContact O-N 2.92Å; F173-L176 HydrophobicContact CB-CD1 4.46Å; F173-L176 HydrophobicContact CD1-CD1 3.87Å; F173-L176 PolarHBondContact O-N 3.24Å
174T97.9Very high97.9Very high11 Ų1115.2 Ų15.27%0.0679%0.088CC..THydrogen-bonded Turntrans-65.2-17.6174.969.50000114.1S170 R171 A172 P209 V210 L211S170-T174 WeakPolarHBondContact O-CG2 3.49Å; S170-T174 PolarHBondContact O-N 3.43Å; R171-T174 PolarHBondContact NH1-OG1 3.37Å; R171-T174 PolarHBondContact O-N 2.89Å; R171-T174 PolarHBondContact O-OG1 3.36Å; A172-T174 PolarHBondContact O-N 3.4Å; T174-P209 CarbonylContact O-C 3.31Å; T174-P209 VanDerWaalsContact O-CA 3.24Å; T174-P209 WeakPolarHBondContact O-CA 3.18Å; T174-P209 VanDerWaalsContact OG1-CB 3.29Å; T174-P209 WeakPolarHBondContact OG1-CB 3.29Å; T174-V210 WeakPolarHBondContact CA-O 3.4Å; T174-V210 WeakPolarHBondContact CB-O 3.32Å; T174-V210 PolarHBondContact O-N 2.83Å; T174-L211 HydrophobicContact CG2-CD2 3.74Å
175W98.3Very high98Very high30 Ų3014 Ų1411%0.1148%0.08CC..THydrogen-bonded Turntrans-98.4-6.8177.8-71.8105.4000113.4I56 F59 Q60 A172 F173 R208 P209I56-W175 HydrophobicContact CG2-CG 4.21Å; F59-W175 HydrophobicContact CB-CB 3.85Å; F59-W175 WeakPolarHBondContact CB-O 3.34Å; Q60-W175 HydrophobicContact CB-CE3 4.4Å; Q60-W175 HydrophobicContact CB-CZ3 4.39Å; Q60-W175 HydrophobicContact CG-CD2 3.64Å; Q60-W175 HydrophobicContact CG-CE3 3.59Å; Q60-W175 HydrophobicContact CG-CG 4.36Å; Q60-W175 HydrophobicContact CG-CH2 3.73Å; Q60-W175 HydrophobicContact CG-CZ2 3.79Å; Q60-W175 HydrophobicContact CG-CZ3 3.65Å; A172-W175 WeakPolarHBondContact O-CB 3.45Å; A172-W175 PolarHBondContact O-N 3.11Å; F173-W175 PolarHBondContact O-N 2.92Å; W175-R208 HydrophobicContact CE3-CB 3.71Å; W175-R208 WeakPolarHBondContact CH2-O 3.33Å; W175-R208 HydrophobicContact CZ3-CB 3.93Å; W175-R208 WeakPolarHBondContact CZ3-O 3.29Å; W175-R208 WeakPolarHBondContact O-CD 3.24Å; W175-R208 PolarHBondContact O-NH1 3.25Å; W175-P209 HydrophobicContact CD2-CB 3.77Å; W175-P209 HydrophobicContact CD2-CG 4.32Å; W175-P209 HydrophobicContact CE3-CB 4.23Å; W175-P209 HydrophobicContact CG-CB 4.19Å; W175-P209 HydrophobicContact CH2-CB 4.33Å; W175-P209 HydrophobicContact CH2-CG 3.92Å; W175-P209 HydrophobicContact CZ2-CB 3.87Å; W175-P209 VanDerWaalsContact CZ2-CD 3.42Å; W175-P209 HydrophobicContact CZ2-CG 3.46Å; W175-P209 VanDerWaalsContact CZ2-CG 3.46Å; W175-P209 HydrophobicContact CZ3-CB 4.48Å; W175-P209 HydrophobicContact CZ3-CG 4.49Å
176L98.8Very high98.1Very high0 Ų014.2 Ų14.20%08%0.081CC..SBendtrans-61.4136.8179.7-74.7170.4000111.4F59 Y106 L133 R135 E139 A172 F173 R208F59-L176 HydrophobicContact CD1-CD2 4.26Å; F59-L176 HydrophobicContact CD2-CD2 4.22Å; F59-L176 HydrophobicContact CE1-CD2 3.77Å; F59-L176 HydrophobicContact CE2-CD2 3.73Å; F59-L176 HydrophobicContact CG-CD2 4.48Å; F59-L176 HydrophobicContact CZ-CD2 3.49Å; F59-L176 VanDerWaalsContact CZ-CD2 3.49Å; Y106-L176 HydrophobicContact CE2-CD1 4.22Å; L133-L176 HydrophobicContact CB-CD2 3.99Å; R135-L176 HydrophobicContact CB-CB 3.78Å; R135-L176 HydrophobicContact CB-CD1 4.43Å; R135-L176 HydrophobicContact CG-CB 4.08Å; R135-L176 HydrophobicContact CG-CD1 4.27Å; E139-L176 HydrophobicContact CB-CD1 4.01Å; E139-L176 HydrophobicContact CG-CD1 3.78Å; A172-L176 PolarHBondContact O-N 2.79Å; F173-L176 HydrophobicContact CB-CD1 4.46Å; F173-L176 HydrophobicContact CD1-CD1 3.87Å; F173-L176 PolarHBondContact O-N 3.24Å; L176-R208 VanDerWaalsContact O-CD 3.29Å; L176-R208 WeakPolarHBondContact O-CD 3.46Å
177P98.7Very high98.1Very high0 Ų014.2 Ų14.20%08%0.081CC..  trans-54.2148.5164.3-22.633000111.1L66 L133 L134 R135L66-P177 HydrophobicContact CD1-CB 4Å; L66-P177 HydrophobicContact CD1-CG 3.97Å; L66-P177 HydrophobicContact CD2-CB 4.09Å; L66-P177 HydrophobicContact CD2-CG 3.75Å; L66-P177 HydrophobicContact CG-CB 3.72Å; L66-P177 HydrophobicContact CG-CG 3.86Å; L133-P177 WeakPolarHBondContact O-CD 3.44Å; L134-P177 CarbonylContact C-O 3.21Å; L134-P177 VanDerWaalsContact CA-O 3.31Å; L134-P177 WeakPolarHBondContact CA-O 3.24Å; L134-P177 HydrophobicContact CD2-CB 4.16Å; R135-P177 WeakPolarHBondContact CB-O 3.09Å; R135-P177 PolarHBondContact N-O 3.45Å
178V98.7Very high98.2Very high1 Ų112.8 Ų12.81%0.0067%0.074CC..  trans-99.8-21.3-177.174.80000112.7T64 I203 F218 L221 V222T64-V178 HydrophobicContact CG2-CB 4.48Å; T64-V178 HydrophobicContact CG2-CG1 3.84Å; T64-V178 PolarHBondContact O-N 3.22Å; V178-I203 HydrophobicContact CG1-CG2 3.52Å; V178-F218 HydrophobicContact CB-CD2 4.38Å; V178-F218 HydrophobicContact CB-CE2 3.69Å; V178-F218 HydrophobicContact CB-CZ 3.85Å; V178-F218 HydrophobicContact CG1-CD2 4.5Å; V178-F218 HydrophobicContact CG1-CE2 4.14Å; V178-F218 HydrophobicContact CG2-CD1 4.46Å; V178-F218 HydrophobicContact CG2-CD2 4.21Å; V178-F218 HydrophobicContact CG2-CE1 4.02Å; V178-F218 HydrophobicContact CG2-CE2 3.78Å; V178-F218 HydrophobicContact CG2-CZ 3.67Å; V178-L221 HydrophobicContact CG1-CD1 4.02Å; V178-L221 HydrophobicContact CG2-CB 4.03Å; V178-L221 HydrophobicContact CG2-CD1 4.3Å; V178-V222 HydrophobicContact CG2-CG1 3.82Å
179A98.9Very high98.3Very high0 Ų012.2 Ų12.20%07%0.072CC..EExtended strand (participates in β ladder)trans-146.2161.6-177.800000111.9T64 L65 L66 L134 L187 C188 V189 I203T64-A179 PolarHBondContact O-N 3.33Å; L65-A179 WeakPolarHBondContact CA-O 3.32Å; L65-A179 HydrophobicContact CD1-CB 3.56Å; L66-A179 PolarHBondContact N-O 3Å; L134-A179 VanDerWaalsContact CD2-C 3.45Å; L134-A179 WeakPolarHBondContact CD2-O 3.42Å; A179-L187 HydrophobicContact CB-CD1 4.34Å; A179-C188 CarbonylContact C-O 3.48Å; A179-C188 WeakPolarHBondContact CA-O 3.38Å; A179-C188 WeakPolarHBondContact CB-O 3.37Å; A179-V189 HydrophobicContact CB-CG1 3.86Å; A179-I203 HydrophobicContact CB-CD1 4.48Å; A179-I203 HydrophobicContact CB-CG2 3.83Å
180A98.9Very high98.3Very high0 Ų012.2 Ų12.20%07%0.072CC..EExtended strand (participates in β ladder)trans-131.5146.5166.500000110.8L66 V68 L101 L134 C188L66-A180 HydrophobicContact CB-CB 4.01Å; L66-A180 CarbonylContact O-C 3.43Å; L66-A180 VanDerWaalsContact O-CA 3.22Å; L66-A180 WeakPolarHBondContact O-CA 3.48Å; V68-A180 HydrophobicContact CG2-CB 4.03Å; L101-A180 HydrophobicContact CD1-CB 3.82Å; L101-A180 HydrophobicContact CD2-CB 3.74Å; L101-A180 HydrophobicContact CG-CB 4.47Å; L134-A180 HydrophobicContact CD1-CB 4.24Å; L134-A180 HydrophobicContact CD2-CB 4.11Å; A180-C188 HydrophobicContact CB-CB 4.29Å; A180-C188 PolarHBondContact N-O 3.07Å; A180-C188 PolarHBondContact O-N 3.46Å
181L98.8Very high98.4Very high13 Ų1311.6 Ų11.67%0.0687%0.068CC..EExtended strand (participates in β ladder)trans-113.8110172.3-172.462.4000108.6L65 L66 V68 I186 L187 I200 V258L65-L181 HydrophobicContact CD1-CB 4.23Å; L66-L181 PolarHBondContact O-N 2.54Å; V68-L181 PolarHBondContact N-O 2.95Å; L181-I186 CarbonylContact C-O 3.49Å; L181-I186 WeakPolarHBondContact CA-O 3.42Å; L181-L187 HydrophobicContact CD1-CB 4.34Å; L181-L187 HydrophobicContact CD1-CD1 4.43Å; L181-I200 HydrophobicContact CD1-CD1 4.38Å; L181-I200 HydrophobicContact CD2-CD1 4.22Å; L181-I200 HydrophobicContact CD2-CG2 4.46Å; L181-V258 HydrophobicContact CD1-CG1 4.11Å
182I98.8Very high98.5Very high0 Ų09.4 Ų9.40%06%0.06CC..EExtended strand (participates in β ladder)trans-86115.5179.5-50.2170.5000108.8V68 L72 V74 L101 G184 S185 I186 C188 V302 M306V68-I182 CarbonylContact O-C 3.51Å; V68-I182 VanDerWaalsContact O-CA 3.24Å; V68-I182 WeakPolarHBondContact O-CA 3.44Å; L72-I182 HydrophobicContact CD1-CD1 4.24Å; L72-I182 HydrophobicContact CD1-CG1 4.48Å; L72-I182 HydrophobicContact CD2-CD1 4.27Å; L72-I182 HydrophobicContact CD2-CG2 3.77Å; V74-I182 HydrophobicContact CG2-CD1 3.8Å; L101-I182 HydrophobicContact CD2-CD1 4.14Å; L101-I182 HydrophobicContact CD2-CG1 4.38Å; I182-G184 PolarHBondContact O-N 2.88Å; I182-S185 PolarHBondContact O-N 3Å; I182-I186 HydrophobicContact CB-CB 4.07Å; I182-I186 HydrophobicContact CD1-CB 4.44Å; I182-I186 HydrophobicContact CD1-CG2 4.43Å; I182-I186 PolarHBondContact N-O 3.38Å; I182-I186 PolarHBondContact O-N 2.98Å; I182-I186 VanDerWaalsContact O-N 3.1Å; I182-C188 VanDerWaalsContact CD1-SG 3.59Å; I182-V302 HydrophobicContact CD1-CG2 4.35Å; I182-V302 HydrophobicContact CG2-CG1 4.42Å; I182-M306 HydrophobicContact CG2-SD 4.47Å
183D98Very high98.5Very high64 Ų649.5 Ų9.534%0.3426%0.06SC..THydrogen-bonded Turntrans50.723.2-179.6-149.436.6000115.9V68 K69 S185 M306V68-D183 PolarHBondContact O-N 3.25Å; K69-D183 WeakPolarHBondContact CD-OD1 3.39Å; K69-D183 WeakPolarHBondContact CE-OD1 2.87Å; K69-D183 IonicContact NZ-OD1 3.22Å; K69-D183 PolarHBondContact NZ-OD1 2.72Å; D183-S185 VanDerWaalsContact C-N 3.25Å; D183-S185 PolarHBondContact O-N 3.05Å; D183-M306 HydrophobicContact CB-CE 3.94Å; D183-M306 HydrophobicContact CB-SD 3.68Å
184G97.3Very high98.5Very high37 Ų379.4 Ų9.438%0.3816%0.06SC..THydrogen-bonded Turntrans84.8-12-17600000114.7I182I182-G184 PolarHBondContact O-N 2.88Å
185S97.6Very high98.5Very high30 Ų3010.6 Ų10.621%0.217%0.068CC..THydrogen-bonded Turntrans-111.9-28.5-168.5-71.40000115.1I182 D183 V258 D259 L260I182-S185 PolarHBondContact O-N 3Å; D183-S185 VanDerWaalsContact C-N 3.25Å; D183-S185 PolarHBondContact O-N 3.05Å; S185-V258 WeakPolarHBondContact O-CB 3.47Å; S185-D259 VanDerWaalsContact CB-OD2 3.3Å; S185-D259 WeakPolarHBondContact CB-OD2 3.22Å; S185-D259 PolarHBondContact O-N 3.21Å; S185-D259 PolarHBondContact OG-OD2 2.94Å; S185-D259 VanDerWaalsContact OG-OD2 3.14Å; S185-L260 PolarHBondContact O-N 3.43Å
186I98.8Very high98.5Very high6 Ų613.8 Ų13.83%0.0318%0.084CC..EExtended strand (participates in β ladder)trans-114113.9-177.6-51.5175.3000109.4L181 I182 L260 V262 V302 M306L181-I186 CarbonylContact C-O 3.49Å; L181-I186 WeakPolarHBondContact CA-O 3.42Å; I182-I186 HydrophobicContact CB-CB 4.07Å; I182-I186 HydrophobicContact CD1-CB 4.44Å; I182-I186 HydrophobicContact CD1-CG2 4.43Å; I182-I186 PolarHBondContact N-O 3.38Å; I182-I186 PolarHBondContact O-N 2.98Å; I182-I186 VanDerWaalsContact O-N 3.1Å; I186-L260 WeakPolarHBondContact CA-O 3.45Å; I186-L260 HydrophobicContact CG1-CB 4.3Å; I186-L260 HydrophobicContact CG2-CB 4.23Å; I186-L260 HydrophobicContact CG2-CD2 4.25Å; I186-L260 HydrophobicContact CG2-CG 4.3Å; I186-V262 HydrophobicContact CG2-CB 4.27Å; I186-V262 HydrophobicContact CG2-CG2 3.4Å; I186-V262 VanDerWaalsContact CG2-CG2 3.4Å; I186-V302 HydrophobicContact CD1-CG1 4.3Å; I186-V302 HydrophobicContact CD1-CG2 4.34Å; I186-M306 HydrophobicContact CD1-CE 3.73Å; I186-M306 HydrophobicContact CG1-CE 3.8Å
187L98.8Very high98.5Very high0 Ų013.8 Ų13.80%08%0.084CC..EExtended strand (participates in β ladder)trans-91.3116.7175.9-177.166.8000110.1L65 A179 L181 V189 I203 L256 V258 L260 F261 V262L65-L187 HydrophobicContact CD1-CD1 4.02Å; A179-L187 HydrophobicContact CB-CD1 4.34Å; L181-L187 HydrophobicContact CD1-CB 4.34Å; L181-L187 HydrophobicContact CD1-CD1 4.43Å; L187-V189 HydrophobicContact CG-CG1 4.42Å; L187-I203 HydrophobicContact CD2-CD1 4.47Å; L187-L256 HydrophobicContact CD2-CD1 4.47Å; L187-V258 HydrophobicContact CB-CG1 4.38Å; L187-L260 PolarHBondContact N-O 2.85Å; L187-F261 HydrophobicContact CB-CD1 3.91Å; L187-F261 HydrophobicContact CB-CE1 4.18Å; L187-F261 HydrophobicContact CD2-CD1 3.97Å; L187-F261 HydrophobicContact CD2-CE1 3.74Å; L187-F261 HydrophobicContact CG-CD1 4.33Å; L187-F261 WeakPolarHBondContact O-CA 3.28Å; L187-V262 PolarHBondContact O-N 3.24Å
188C98.9Very high98.3Very high0 Ų019.6 Ų19.60%011%0.109CC..EExtended strand (participates in β ladder)trans-102.4127.5177.6-590000111L101 M103 L134 A179 A180 I182 V262L101-C188 HydrophobicContact CD2-CB 3.82Å; M103-C188 HydrophobicContact SD-CB 4.3Å; L134-C188 HydrophobicContact CD1-CB 4.14Å; A179-C188 CarbonylContact C-O 3.48Å; A179-C188 WeakPolarHBondContact CA-O 3.38Å; A179-C188 WeakPolarHBondContact CB-O 3.37Å; A180-C188 HydrophobicContact CB-CB 4.29Å; A180-C188 PolarHBondContact N-O 3.07Å; A180-C188 PolarHBondContact O-N 3.46Å; I182-C188 VanDerWaalsContact CD1-SG 3.59Å; C188-V262 VanDerWaalsContact CA-O 3.26Å; C188-V262 WeakPolarHBondContact CA-O 3.41Å
189V98.9Very high98.2Very high2 Ų221.7 Ų21.71%0.01213%0.127CC..EExtended strand (participates in β ladder)trans-139.8163.9174.9-64.80000109A179 L187 L221 V262 R263A179-V189 HydrophobicContact CB-CG1 3.86Å; L187-V189 HydrophobicContact CG-CG1 4.42Å; V189-L221 HydrophobicContact CG1-CD2 3.8Å; V189-V262 PolarHBondContact N-O 2.87Å; V189-V262 VanDerWaalsContact N-O 3.08Å; V189-R263 HydrophobicContact CG2-CB 4.26Å; V189-R263 VanDerWaalsContact O-CA 3.23Å; V189-R263 WeakPolarHBondContact O-CA 3.44Å
190H98.9Very high98.1Very high0 Ų023 Ų230%013%0.134CC..SBendtrans-76.2-59.8176.2-179.173.2000111.8D77 M103 D105 R135 N137 V222 R263 A264 H265D77-H190 IonicContact OD1-CE1 3.47Å; D77-H190 PolarHBondContact OD1-CE1 3.46Å; D77-H190 IonicContact OD1-ND1 3.79Å; M103-H190 WeakPolarHBondContact O-CB 3.42Å; M103-H190 VanDerWaalsContact O-CG 3.32Å; M103-H190 PolarHBondContact O-ND1 2.92Å; D105-H190 IonicContact OD1-CE1 3.99Å; D105-H190 IonicContact OD1-NE2 3.9Å; D105-H190 PolarHBondContact OD1-NE2 2.93Å; D105-H190 IonicContact OD2-CE1 2.71Å; D105-H190 PolarHBondContact OD2-CE1 2.82Å; D105-H190 IonicContact OD2-NE2 3.59Å; D105-H190 PolarHBondContact OD2-NE2 3.46Å; R135-H190 WeakPolarHBondContact O-CB 3.37Å; N137-H190 PolarHBondContact OD1-CD2 2.72Å; N137-H190 PolarHBondContact OD1-NE2 2.81Å; H190-V222 PolarHBondContact CD2-O 2.84Å; H190-R263 PolarHBondContact O-NE 3.3Å; H190-A264 CarbonylContact O-C 3.48Å; H190-A264 PolarHBondContact O-N 3.29Å; H190-H265 AromaticContact CD2-CG 3.96Å; H190-H265 AromaticContact CD2-ND1 3.71Å; H190-H265 VanDerWaalsContact NE2-CB 3.34Å; H190-H265 WeakPolarHBondContact NE2-CB 3.41Å; H190-H265 AromaticContact NE2-CG 3.53Å; H190-H265 AromaticContact NE2-ND1 3.1Å; H190-H265 PolarHBondContact NE2-ND1 3.45Å
191G98.8Very high98Very high0 Ų027.3 Ų27.30%016%0.157CC..SBendtrans-78.9-103.5-178.900000110L221 A224 R263G191-L221 VanDerWaalsContact CA-O 3.31Å; G191-L221 WeakPolarHBondContact CA-O 3.28Å; G191-L221 PolarHBondContact N-O 3.34Å; G191-A224 CarbonylContact C-O 3.56Å; G191-R263 VanDerWaalsContact C-NH2 3.26Å; G191-R263 VanDerWaalsContact O-CB 3.31Å; G191-R263 WeakPolarHBondContact O-CB 3.29Å; G191-R263 PolarHBondContact O-NE 3.24Å; G191-R263 PolarHBondContact O-NH2 3.24Å
192G98.3Very high98Very high2 Ų230.2 Ų30.22%0.02117%0.17CC..  trans-160.2-144.5-174.600000113.5D220 A224G192-D220 PolarHBondContact N-O 3.22Å; G192-A224 PolarHBondContact N-O 2.67Å
193L98.5Very high98Very high2 Ų230.2 Ų30.21%0.0117%0.17CC..  trans-88.2163.8-177.9-54.2-179.3000110.1A224 W233 F244 V248 V249 L252 F261L193-A224 WeakPolarHBondContact O-CB 3.12Å; L193-W233 HydrophobicContact CB-CH2 3.74Å; L193-W233 HydrophobicContact CB-CZ3 4.41Å; L193-W233 WeakPolarHBondContact O-CZ3 3.41Å; L193-F244 HydrophobicContact CB-CD1 4.42Å; L193-F244 HydrophobicContact CB-CE1 4.33Å; L193-F244 HydrophobicContact CB-CE2 4.42Å; L193-F244 HydrophobicContact CB-CZ 4.33Å; L193-F244 HydrophobicContact CD1-CD2 4.14Å; L193-F244 HydrophobicContact CD1-CE2 3.96Å; L193-F244 HydrophobicContact CG-CD2 4.42Å; L193-F244 HydrophobicContact CG-CE2 3.99Å; L193-F244 HydrophobicContact CG-CZ 4.08Å; L193-V248 HydrophobicContact CD1-CG1 4.3Å; L193-V249 HydrophobicContact CD1-CB 4.45Å; L193-V249 HydrophobicContact CD1-CG2 3.96Å; L193-L252 HydrophobicContact CB-CD1 3.79Å; L193-L252 HydrophobicContact CD1-CB 4.35Å; L193-L252 HydrophobicContact CD1-CD1 3.82Å; L193-L252 HydrophobicContact CD2-CD1 4.47Å; L193-L252 HydrophobicContact CG-CD1 4.23Å; L193-F261 HydrophobicContact CD1-CD2 4.41Å; L193-F261 HydrophobicContact CD1-CE2 4.19Å; L193-F261 HydrophobicContact CD1-CZ 4.44Å; L193-F261 HydrophobicContact CD2-CD1 3.67Å; L193-F261 HydrophobicContact CD2-CD2 4.36Å; L193-F261 HydrophobicContact CD2-CE1 3.62Å; L193-F261 HydrophobicContact CD2-CE2 4.28Å; L193-F261 HydrophobicContact CD2-CG 4.06Å; L193-F261 HydrophobicContact CD2-CZ 3.93Å
194S98.6Very high97.9Very high0 Ų030.6 Ų30.60%017%0.166CC..  trans-125.9142.2176.5178.10000111E196 L197 D220 W233S194-E196 PolarHBondContact O-N 2.84Å; S194-E196 WeakPolarHBondContact OG-CB 3.17Å; S194-E196 PolarHBondContact OG-N 3.45Å; S194-L197 WeakPolarHBondContact O-CB 3.36Å; S194-L197 PolarHBondContact O-N 2.92Å; S194-L197 VanDerWaalsContact O-N 3.07Å; S194-D220 VanDerWaalsContact CB-OD2 3.32Å; S194-D220 WeakPolarHBondContact CB-OD2 3.25Å; S194-D220 PolarHBondContact OG-OD2 3.43Å; S194-W233 WeakPolarHBondContact O-CH2 3.41Å; S194-W233 WeakPolarHBondContact O-CZ2 3.33Å
195P98.1Very high97.9Very high36 Ų3634.7 Ų34.723%0.23418%0.18CC..THydrogen-bonded Turntrans-61.5-21.7168.925.7-33.6000112.3K198 W233 F242P195-K198 VanDerWaalsContact O-CE 3.28Å; P195-K198 WeakPolarHBondContact O-CE 3.26Å; P195-K198 PolarHBondContact O-NZ 3.33Å; P195-W233 VanDerWaalsContact CA-CZ2 3.44Å; P195-W233 HydrophobicContact CB-CD2 3.98Å; P195-W233 HydrophobicContact CB-CG 4.33Å; P195-W233 HydrophobicContact CB-CZ2 4.07Å; P195-W233 HydrophobicContact CG-CD2 4.37Å; P195-W233 HydrophobicContact CG-CE3 4.45Å; P195-W233 VanDerWaalsContact N-CH2 3.27Å; P195-W233 VanDerWaalsContact N-CZ2 3.27Å; P195-F242 HydrophobicContact CG-CD2 3.93Å; P195-F242 HydrophobicContact CG-CE2 3.7Å; P195-F242 HydrophobicContact CG-CZ 4.2Å
196E97.8Very high97.8Very high97 Ų9736.5 Ų36.545%0.45318%0.182SC..THydrogen-bonded Turntrans-85.5-11.8176.9-59.1-176.5-179.400113.5S194 K198 Q202 G216 L217S194-E196 PolarHBondContact O-N 2.84Å; S194-E196 WeakPolarHBondContact OG-CB 3.17Å; S194-E196 PolarHBondContact OG-N 3.45Å; E196-K198 PolarHBondContact O-N 3.35Å; E196-Q202 PolarHBondContact O-NE2 2.96Å; E196-Q202 PolarHBondContact O-OE1 3.11Å; E196-G216 WeakPolarHBondContact OE1-CA 3.46Å; E196-G216 WeakPolarHBondContact OE2-CA 3.34Å; E196-L217 HydrophobicContact CB-CB 4.27Å; E196-L217 PolarHBondContact OE2-N 3.15Å
197L97.9Very high97.7Very high0 Ų040.8 Ų40.80%021%0.21CC..  trans-77.6113.9177.4-175.960.8000109.9S194 I203 L217 L252 L256S194-L197 WeakPolarHBondContact O-CB 3.36Å; S194-L197 PolarHBondContact O-N 2.92Å; S194-L197 VanDerWaalsContact O-N 3.07Å; L197-I203 HydrophobicContact CD1-CD1 3.9Å; L197-I203 HydrophobicContact CD1-CG1 3.9Å; L197-I203 HydrophobicContact CD2-CD1 4.39Å; L197-L217 HydrophobicContact CB-CD1 3.83Å; L197-L217 HydrophobicContact CD1-CD1 4.14Å; L197-L217 HydrophobicContact CG-CD1 4.49Å; L197-L252 VanDerWaalsContact O-CD2 3.28Å; L197-L252 WeakPolarHBondContact O-CD2 3.47Å; L197-L256 HydrophobicContact CD2-CD1 3.66Å; L197-L256 HydrophobicContact CG-CD1 3.98Å; L197-L256 HydrophobicContact CG-CD2 4.41Å
198K95.5Very high97.6Very high122 Ų12242.5 Ų42.553%0.5322%0.217SC..  trans-123.2-25.5178.7-55.4-58.7171.7-151.40112.9P195 E196P195-K198 VanDerWaalsContact O-CE 3.28Å; P195-K198 WeakPolarHBondContact O-CE 3.26Å; P195-K198 PolarHBondContact O-NZ 3.33Å; E196-K198 PolarHBondContact O-N 3.35Å
199A96.7Very high97.5Very high44 Ų4444.9 Ų44.936%0.36423%0.232SC..  trans-147.9144176.800000110.5D201 Q202A199-D201 PolarHBondContact O-N 3.41Å; A199-D201 VanDerWaalsContact O-N 3.15Å; A199-Q202 WeakPolarHBondContact O-CB 3.48Å; A199-Q202 PolarHBondContact O-N 2.95Å; A199-Q202 PolarHBondContact O-OE1 2.95Å
200I97.2Very high97.3Very high29 Ų2946.1 Ų46.115%0.14924%0.239CC..Hα-helixtrans-55.1-34.1177.1-69.7-177.8000111.4L65 L181 Q202 I203 R204 L256 V258L65-I200 HydrophobicContact CD2-CG2 3.23Å; L181-I200 HydrophobicContact CD1-CD1 4.38Å; L181-I200 HydrophobicContact CD2-CD1 4.22Å; L181-I200 HydrophobicContact CD2-CG2 4.46Å; I200-Q202 PolarHBondContact O-N 3.18Å; I200-I203 WeakPolarHBondContact O-CB 3.18Å; I200-I203 PolarHBondContact O-N 2.65Å; I200-R204 PolarHBondContact O-N 3.46Å; I200-L256 HydrophobicContact CD1-CB 4.35Å; I200-L256 WeakPolarHBondContact CD1-O 3.47Å; I200-L256 HydrophobicContact CG1-CB 4.14Å; I200-L256 HydrophobicContact CG1-CD2 4.18Å; I200-V258 HydrophobicContact CD1-CG1 3.96Å
201D96.8Very high97.2Very high90 Ų9051.7 Ų51.748%0.48127%0.269SS..Hα-helixtrans-65.9-17.9-179.6-75.8-27000114.3A199 I203 R204 N205A199-D201 PolarHBondContact O-N 3.41Å; A199-D201 VanDerWaalsContact O-N 3.15Å; D201-I203 PolarHBondContact O-N 2.9Å; D201-R204 PolarHBondContact O-N 3.43Å; D201-R204 IonicContact OD1-NE 2.82Å; D201-R204 PolarHBondContact OD1-NE 3.29Å; D201-N205 WeakPolarHBondContact O-CB 3.4Å; D201-N205 PolarHBondContact O-N 3.06Å; D201-N205 PolarHBondContact O-ND2 3Å
202Q97.4Very high97Very high73 Ų7352.7 Ų52.734%0.34128%0.275SS..Hα-helixtrans-63.3-35.9170.5-69.5173-90.500111.4E196 A199 I200 L217E196-Q202 PolarHBondContact O-NE2 2.96Å; E196-Q202 PolarHBondContact O-OE1 3.11Å; A199-Q202 WeakPolarHBondContact O-CB 3.48Å; A199-Q202 PolarHBondContact O-N 2.95Å; A199-Q202 PolarHBondContact O-OE1 2.95Å; I200-Q202 PolarHBondContact O-N 3.18Å; Q202-L217 HydrophobicContact CB-CD2 3.76Å
203I98.2Very high96.9Very high1 Ų154.6 Ų54.61%0.00529%0.286CS..Hα-helixtrans-74.6-46.6175.9-50.4177.4000109.7L65 V178 A179 L187 L197 I200 D201 N205 W206 L221L65-I203 HydrophobicContact CB-CG2 4.17Å; V178-I203 HydrophobicContact CG1-CG2 3.52Å; A179-I203 HydrophobicContact CB-CD1 4.48Å; A179-I203 HydrophobicContact CB-CG2 3.83Å; L187-I203 HydrophobicContact CD2-CD1 4.47Å; L197-I203 HydrophobicContact CD1-CD1 3.9Å; L197-I203 HydrophobicContact CD1-CG1 3.9Å; L197-I203 HydrophobicContact CD2-CD1 4.39Å; I200-I203 WeakPolarHBondContact O-CB 3.18Å; I200-I203 PolarHBondContact O-N 2.65Å; D201-I203 PolarHBondContact O-N 2.9Å; I203-N205 VanDerWaalsContact C-N 3.27Å; I203-N205 PolarHBondContact O-N 3.43Å; I203-W206 WeakPolarHBondContact O-CB 3.27Å; I203-W206 PolarHBondContact O-N 2.95Å; I203-W206 VanDerWaalsContact O-N 3.14Å; I203-L221 HydrophobicContact CD1-CD1 4.14Å; I203-L221 HydrophobicContact CD1-CD2 3.98Å; I203-L221 HydrophobicContact CG1-CD1 4.02Å; I203-L221 HydrophobicContact CG2-CD1 4.26Å
204R97.2Very high96.7Very high72 Ų7262.4 Ų62.427%0.27232%0.323SS..Hα-helixtrans-56.2-41.3-177.8-170.2178.3-68.9-790.8112.5L65 D67 I200 D201L65-R204 HydrophobicContact CB-CB 4.15Å; L65-R204 HydrophobicContact CD2-CB 4.17Å; D67-R204 IonicContact OD1-CZ 3.79Å; D67-R204 IonicContact OD1-NH1 2.76Å; D67-R204 IonicContact OD1-NH2 3.66Å; D67-R204 PolarHBondContact OD1-NH2 3.08Å; D67-R204 IonicContact OD2-CZ 3.48Å; D67-R204 IonicContact OD2-NH1 2.78Å; D67-R204 PolarHBondContact OD2-NH1 3.39Å; D67-R204 IonicContact OD2-NH2 3.76Å; D67-R204 PolarHBondContact OD2-NH2 2.66Å; I200-R204 PolarHBondContact O-N 3.46Å; D201-R204 PolarHBondContact O-N 3.43Å; D201-R204 IonicContact OD1-NE 2.82Å; D201-R204 PolarHBondContact OD1-NE 3.29Å
205N96.3Very high96.6Very high123 Ų12371.1 Ų71.166%0.65836%0.357SS*.THydrogen-bonded Turntrans-89.92.4-176-64.4-49000113.9D201 I203D201-N205 WeakPolarHBondContact O-CB 3.4Å; D201-N205 PolarHBondContact O-N 3.06Å; D201-N205 PolarHBondContact O-ND2 3Å; I203-N205 VanDerWaalsContact C-N 3.27Å; I203-N205 PolarHBondContact O-N 3.43Å
206W96.4Very high96.6Very high67 Ų6769.8 Ų69.825%0.25435%0.35SS..  trans-67.5126.5-179.9-167.2-75.2000110.8T64 I203 L217 F218T64-W206 WeakPolarHBondContact CB-O 3.07Å; T64-W206 HydrophobicContact CG2-CB 3.98Å; T64-W206 PolarHBondContact OG1-O 2.84Å; I203-W206 WeakPolarHBondContact O-CB 3.27Å; I203-W206 PolarHBondContact O-N 2.95Å; I203-W206 VanDerWaalsContact O-N 3.14Å; W206-L217 HydrophobicContact CE3-CD2 4.14Å; W206-L217 HydrophobicContact CH2-CB 4.48Å; W206-L217 HydrophobicContact CZ3-CB 3.86Å; W206-L217 HydrophobicContact CZ3-CD2 4.12Å; W206-L217 HydrophobicContact CZ3-CG 4.29Å; W206-F218 AromaticContact CD1-CD2 3.69Å; W206-F218 HydrophobicContact CD2-CB 4.42Å; W206-F218 HydrophobicContact CD2-CD2 4.14Å; W206-F218 AromaticContact CE2-CD2 3.77Å; W206-F218 HydrophobicContact CG-CD2 4.11Å; W206-F218 HydrophobicContact CH2-CB 3.92Å; W206-F218 HydrophobicContact CZ2-CB 3.54Å; W206-F218 HydrophobicContact CZ2-CD2 4.37Å; W206-F218 HydrophobicContact CZ2-CG 4.33Å; W206-F218 AromaticContact NE1-CD2 3.46Å
207P96.5Very high96.6Very high96 Ų9665.3 Ų65.362%0.62333%0.329SS*.  trans-72.1144.5-174.328.8-34.9000112.4
208R97Very high96.6Very high37 Ų3765.3 Ų65.314%0.1433%0.329CS..SBendtrans-122.9148.1169.6-76-179.4-68.2128.121.6110F59 E62 P63 T64 W175 L176 V210F59-R208 PolarHBondContact O-NH1 3.35Å; E62-R208 PolarHBondContact O-NH2 2.61Å; P63-R208 PolarHBondContact O-NH2 2.69Å; T64-R208 HydrophobicContact CG2-CG 4.45Å; T64-R208 VanDerWaalsContact N-NH2 3.19Å; T64-R208 PolarHBondContact OG1-NE 3.35Å; W175-R208 HydrophobicContact CE3-CB 3.71Å; W175-R208 WeakPolarHBondContact CH2-O 3.33Å; W175-R208 HydrophobicContact CZ3-CB 3.93Å; W175-R208 WeakPolarHBondContact CZ3-O 3.29Å; W175-R208 WeakPolarHBondContact O-CD 3.24Å; W175-R208 PolarHBondContact O-NH1 3.25Å; L176-R208 VanDerWaalsContact O-CD 3.29Å; L176-R208 WeakPolarHBondContact O-CD 3.46Å; R208-V210 HydrophobicContact CG-CG1 4.29Å
209P96.4Very high96.7Very high50 Ų5059.5 Ų59.533%0.32530%0.304SS..SBendcis-80.5151.97.929.7-21.5000111.9R171 T174 W175R171-P209 VanDerWaalsContact NH1-CB 3.32Å; T174-P209 CarbonylContact O-C 3.31Å; T174-P209 VanDerWaalsContact O-CA 3.24Å; T174-P209 WeakPolarHBondContact O-CA 3.18Å; T174-P209 VanDerWaalsContact OG1-CB 3.29Å; T174-P209 WeakPolarHBondContact OG1-CB 3.29Å; W175-P209 HydrophobicContact CD2-CB 3.77Å; W175-P209 HydrophobicContact CD2-CG 4.32Å; W175-P209 HydrophobicContact CE3-CB 4.23Å; W175-P209 HydrophobicContact CG-CB 4.19Å; W175-P209 HydrophobicContact CH2-CB 4.33Å; W175-P209 HydrophobicContact CH2-CG 3.92Å; W175-P209 HydrophobicContact CZ2-CB 3.87Å; W175-P209 VanDerWaalsContact CZ2-CD 3.42Å; W175-P209 HydrophobicContact CZ2-CG 3.46Å; W175-P209 VanDerWaalsContact CZ2-CG 3.46Å; W175-P209 HydrophobicContact CZ3-CB 4.48Å; W175-P209 HydrophobicContact CZ3-CG 4.49Å
210V95.3Very high96.8Very high27 Ų2757.5 Ų57.516%0.16429%0.287CS..  trans-136.9140.2179.664.40000111.1R135 T174 R208 F218R135-V210 PolarHBondContact NH1-O 2.91Å; R135-V210 PolarHBondContact NH2-O 3.36Å; T174-V210 WeakPolarHBondContact CA-O 3.4Å; T174-V210 WeakPolarHBondContact CB-O 3.32Å; T174-V210 PolarHBondContact O-N 2.83Å; R208-V210 HydrophobicContact CG-CG1 4.29Å; V210-F218 HydrophobicContact CG1-CD2 4.01Å; V210-F218 HydrophobicContact CG1-CE1 4.33Å; V210-F218 HydrophobicContact CG1-CE2 3.48Å; V210-F218 VanDerWaalsContact CG1-CE2 3.48Å; V210-F218 HydrophobicContact CG1-CZ 3.68Å
211L95.8Very high96.9Very high118 Ų11856.2 Ų56.262%0.61828%0.281SS*.PPolyproline II helixtrans-83.1141.8164.3-62.5177.3000107.6T174 P213T174-L211 HydrophobicContact CG2-CD2 3.74Å; L211-P213 VanDerWaalsContact O-CD 3.28Å; L211-P213 WeakPolarHBondContact O-CD 3.22Å; L211-P213 VanDerWaalsContact O-N 3.11Å
212V95.1Very high97Very high21 Ų2152 Ų5213%0.12726%0.258CS..PPolyproline II helixtrans-60.2117.9177-174.90000107.9C140 F218 V222C140-V212 HydrophobicContact CB-CB 4.4Å; C140-V212 HydrophobicContact CB-CG2 3.86Å; V212-F218 HydrophobicContact CG1-CD1 4.42Å; V212-F218 HydrophobicContact CG2-CE1 4.12Å; V212-V222 HydrophobicContact CG1-CG2 3.82Å
213P95.6Very high97Very high41 Ų4149.9 Ų49.927%0.26625%0.247SC..PPolyproline II helixtrans-71.4163.8177.730.9-33.4000110.5L211 Y215 F218 C219L211-P213 VanDerWaalsContact O-CD 3.28Å; L211-P213 WeakPolarHBondContact O-CD 3.22Å; L211-P213 VanDerWaalsContact O-N 3.11Å; P213-Y215 VanDerWaalsContact C-N 3.26Å; P213-Y215 WeakPolarHBondContact CG-O 3.44Å; P213-Y215 PolarHBondContact O-N 2.62Å; P213-F218 HydrophobicContact CG-CB 4.04Å; P213-C219 HydrophobicContact CG-CB 4.25Å; P213-C219 WeakPolarHBondContact O-CB 3.47Å
214E94.7Very high97.1Very high166 Ų16649.8 Ų49.878%0.77625%0.246SC*.SBendtrans-76.3-14.2177.7-64.3178.5173.600113
215Y97.3Very high97.1Very high183 Ų18346.7 Ų46.772%0.71824%0.235SC*.SBendtrans-155.9169.6-18057.3-93.2000111.7P213P213-Y215 VanDerWaalsContact C-N 3.26Å; P213-Y215 WeakPolarHBondContact CG-O 3.44Å; P213-Y215 PolarHBondContact O-N 2.62Å
216G97.3Very high97.2Very high8 Ų841.5 Ų41.58%0.08221%0.208CC..SBendtrans87.2-179.7174.800000113.7E196 F218 C219 D220E196-G216 WeakPolarHBondContact OE1-CA 3.46Å; E196-G216 WeakPolarHBondContact OE2-CA 3.34Å; G216-F218 VanDerWaalsContact C-N 3.35Å; G216-F218 PolarHBondContact O-N 3.46Å; G216-F218 VanDerWaalsContact O-N 3.07Å; G216-C219 WeakPolarHBondContact O-CA 3.47Å; G216-C219 VanDerWaalsContact O-CB 3.29Å; G216-C219 WeakPolarHBondContact O-CB 3.46Å; G216-C219 PolarHBondContact O-N 3.47Å; G216-D220 PolarHBondContact O-N 2.6Å
217L97.9Very high97.3Very high4 Ų440.7 Ų40.72%0.02121%0.209CC..Hα-helixtrans-43.9-51-168.7177.260.5000114.9E196 L197 Q202 W206 C219 D220 L221E196-L217 HydrophobicContact CB-CB 4.27Å; E196-L217 PolarHBondContact OE2-N 3.15Å; L197-L217 HydrophobicContact CB-CD1 3.83Å; L197-L217 HydrophobicContact CD1-CD1 4.14Å; L197-L217 HydrophobicContact CG-CD1 4.49Å; Q202-L217 HydrophobicContact CB-CD2 3.76Å; W206-L217 HydrophobicContact CE3-CD2 4.14Å; W206-L217 HydrophobicContact CH2-CB 4.48Å; W206-L217 HydrophobicContact CZ3-CB 3.86Å; W206-L217 HydrophobicContact CZ3-CD2 4.12Å; W206-L217 HydrophobicContact CZ3-CG 4.29Å; L217-C219 PolarHBondContact O-N 2.56Å; L217-D220 PolarHBondContact O-N 3.48Å; L217-L221 HydrophobicContact CD1-CD1 3.94Å; L217-L221 HydrophobicContact CD1-CD2 4.3Å; L217-L221 HydrophobicContact CD1-CG 3.98Å; L217-L221 HydrophobicContact CG-CD1 3.99Å; L217-L221 HydrophobicContact CG-CG 4.45Å; L217-L221 VanDerWaalsContact O-CG 3.23Å; L217-L221 WeakPolarHBondContact O-CG 3.4Å; L217-L221 PolarHBondContact O-N 2.89Å
218F97.8Very high97.3Very high0 Ų040.6 Ų40.60%021%0.21CC..Hα-helixtrans-65.4-38.9-177.8-162.6-73.2000112.7V178 W206 V210 V212 P213 G216 D220 V222V178-F218 HydrophobicContact CB-CD2 4.38Å; V178-F218 HydrophobicContact CB-CE2 3.69Å; V178-F218 HydrophobicContact CB-CZ 3.85Å; V178-F218 HydrophobicContact CG1-CD2 4.5Å; V178-F218 HydrophobicContact CG1-CE2 4.14Å; V178-F218 HydrophobicContact CG2-CD1 4.46Å; V178-F218 HydrophobicContact CG2-CD2 4.21Å; V178-F218 HydrophobicContact CG2-CE1 4.02Å; V178-F218 HydrophobicContact CG2-CE2 3.78Å; V178-F218 HydrophobicContact CG2-CZ 3.67Å; W206-F218 AromaticContact CD1-CD2 3.69Å; W206-F218 HydrophobicContact CD2-CB 4.42Å; W206-F218 HydrophobicContact CD2-CD2 4.14Å; W206-F218 AromaticContact CE2-CD2 3.77Å; W206-F218 HydrophobicContact CG-CD2 4.11Å; W206-F218 HydrophobicContact CH2-CB 3.92Å; W206-F218 HydrophobicContact CZ2-CB 3.54Å; W206-F218 HydrophobicContact CZ2-CD2 4.37Å; W206-F218 HydrophobicContact CZ2-CG 4.33Å; W206-F218 AromaticContact NE1-CD2 3.46Å; V210-F218 HydrophobicContact CG1-CD2 4.01Å; V210-F218 HydrophobicContact CG1-CE1 4.33Å; V210-F218 HydrophobicContact CG1-CE2 3.48Å; V210-F218 VanDerWaalsContact CG1-CE2 3.48Å; V210-F218 HydrophobicContact CG1-CZ 3.68Å; V212-F218 HydrophobicContact CG1-CD1 4.42Å; V212-F218 HydrophobicContact CG2-CE1 4.12Å; P213-F218 HydrophobicContact CG-CB 4.04Å; G216-F218 VanDerWaalsContact C-N 3.35Å; G216-F218 PolarHBondContact O-N 3.46Å; G216-F218 VanDerWaalsContact O-N 3.07Å; F218-D220 VanDerWaalsContact C-N 3.33Å; F218-V222 HydrophobicContact CE1-CG1 4.42Å
219C98.2Very high97.3Very high0 Ų044.4 Ų44.40%024%0.238CC..Hα-helixtrans-60-48.5174.7175.40000109.6P213 G216 L217 L221 V222 W223P213-C219 HydrophobicContact CG-CB 4.25Å; P213-C219 WeakPolarHBondContact O-CB 3.47Å; G216-C219 WeakPolarHBondContact O-CA 3.47Å; G216-C219 VanDerWaalsContact O-CB 3.29Å; G216-C219 WeakPolarHBondContact O-CB 3.46Å; G216-C219 PolarHBondContact O-N 3.47Å; L217-C219 PolarHBondContact O-N 2.56Å; C219-L221 PolarHBondContact O-N 2.87Å; C219-V222 CarbonylContact O-C 3.52Å; C219-V222 WeakPolarHBondContact O-CG2 3.45Å; C219-V222 PolarHBondContact O-N 2.73Å; C219-V222 VanDerWaalsContact O-N 3.1Å; C219-W223 WeakPolarHBondContact O-CB 3.43Å; C219-W223 PolarHBondContact O-N 3.15Å
220D98.7Very high97.4Very high1 Ų144.3 Ų44.31%0.00523%0.234CC..Hα-helixtrans-65-39.8-175.2-54.9-21.9000112.6G192 S194 G216 L217 F218 V222 W223 A224 S241G192-D220 PolarHBondContact N-O 3.22Å; S194-D220 VanDerWaalsContact CB-OD2 3.32Å; S194-D220 WeakPolarHBondContact CB-OD2 3.25Å; S194-D220 PolarHBondContact OG-OD2 3.43Å; G216-D220 PolarHBondContact O-N 2.6Å; L217-D220 PolarHBondContact O-N 3.48Å; F218-D220 VanDerWaalsContact C-N 3.33Å; D220-V222 PolarHBondContact O-N 3Å; D220-V222 VanDerWaalsContact O-N 3.09Å; D220-W223 PolarHBondContact O-N 3.05Å; D220-A224 HydrophobicContact CB-CB 4.37Å; D220-A224 WeakPolarHBondContact O-CB 3.36Å; D220-A224 PolarHBondContact O-N 3.26Å; D220-S241 WeakPolarHBondContact CA-OG 3.07Å; D220-S241 PolarHBondContact OD1-OG 3.31Å
221L98.7Very high97.5Very high3 Ų351.1 Ų51.12%0.01626%0.264CS..Hα-helixtrans-60.3-20.7176.3-67.8169.4000113.5V178 V189 G191 I203 L217 C219V178-L221 HydrophobicContact CG1-CD1 4.02Å; V178-L221 HydrophobicContact CG2-CB 4.03Å; V178-L221 HydrophobicContact CG2-CD1 4.3Å; V189-L221 HydrophobicContact CG1-CD2 3.8Å; G191-L221 VanDerWaalsContact CA-O 3.31Å; G191-L221 WeakPolarHBondContact CA-O 3.28Å; G191-L221 PolarHBondContact N-O 3.34Å; I203-L221 HydrophobicContact CD1-CD1 4.14Å; I203-L221 HydrophobicContact CD1-CD2 3.98Å; I203-L221 HydrophobicContact CG1-CD1 4.02Å; I203-L221 HydrophobicContact CG2-CD1 4.26Å; L217-L221 HydrophobicContact CD1-CD1 3.94Å; L217-L221 HydrophobicContact CD1-CD2 4.3Å; L217-L221 HydrophobicContact CD1-CG 3.98Å; L217-L221 HydrophobicContact CG-CD1 3.99Å; L217-L221 HydrophobicContact CG-CG 4.45Å; L217-L221 VanDerWaalsContact O-CG 3.23Å; L217-L221 WeakPolarHBondContact O-CG 3.4Å; L217-L221 PolarHBondContact O-N 2.89Å; C219-L221 PolarHBondContact O-N 2.87Å
222V98.6Very high97.6Very high0 Ų046.3 Ų46.30%024%0.243CC..Hα-helixtrans-113-5.7177.6-54.20000114.1R135 N137 V178 H190 V212 F218 C219 D220R135-V222 WeakPolarHBondContact O-CG1 3.32Å; N137-V222 HydrophobicContact CB-CB 4.38Å; N137-V222 HydrophobicContact CB-CG2 4.32Å; N137-V222 WeakPolarHBondContact CB-O 3.36Å; V178-V222 HydrophobicContact CG2-CG1 3.82Å; H190-V222 PolarHBondContact CD2-O 2.84Å; V212-V222 HydrophobicContact CG1-CG2 3.82Å; F218-V222 HydrophobicContact CE1-CG1 4.42Å; C219-V222 CarbonylContact O-C 3.52Å; C219-V222 WeakPolarHBondContact O-CG2 3.45Å; C219-V222 PolarHBondContact O-N 2.73Å; C219-V222 VanDerWaalsContact O-N 3.1Å; D220-V222 PolarHBondContact O-N 3Å; D220-V222 VanDerWaalsContact O-N 3.09Å
223W98.6Very high97.8Very high29 Ų2949.4 Ų49.411%0.1125%0.253CS..Hα-helixtrans-130.2-23-176.4-77.9109.5000116N137 L143 C219 D220 I240 S241 H265N137-W223 HydrophobicContact CB-CD2 3.86Å; N137-W223 HydrophobicContact CB-CE3 4.3Å; N137-W223 HydrophobicContact CB-CG 4.38Å; N137-W223 HydrophobicContact CB-CH2 4.32Å; N137-W223 HydrophobicContact CB-CZ2 3.86Å; N137-W223 VanDerWaalsContact ND2-CH2 3.26Å; N137-W223 WeakPolarHBondContact ND2-CH2 3.38Å; N137-W223 VanDerWaalsContact ND2-CZ3 3.29Å; N137-W223 WeakPolarHBondContact ND2-CZ3 3.4Å; L143-W223 HydrophobicContact CD1-CH2 3.54Å; L143-W223 HydrophobicContact CD1-CZ2 3.36Å; L143-W223 HydrophobicContact CD2-CH2 4.04Å; L143-W223 HydrophobicContact CD2-CZ2 3.94Å; L143-W223 HydrophobicContact CG-CH2 4.4Å; L143-W223 HydrophobicContact CG-CZ2 4.09Å; C219-W223 WeakPolarHBondContact O-CB 3.43Å; C219-W223 PolarHBondContact O-N 3.15Å; D220-W223 PolarHBondContact O-N 3.05Å; W223-I240 HydrophobicContact CB-CG2 4.4Å; W223-I240 HydrophobicContact CD2-CD1 4.38Å; W223-I240 HydrophobicContact CD2-CG2 3.59Å; W223-I240 HydrophobicContact CE3-CG2 3.51Å; W223-I240 HydrophobicContact CG-CD1 4.38Å; W223-I240 HydrophobicContact CG-CG1 4.37Å; W223-I240 HydrophobicContact CG-CG2 4.03Å; W223-I240 HydrophobicContact CH2-CG2 4.22Å; W223-I240 HydrophobicContact CZ2-CD1 4.34Å; W223-I240 HydrophobicContact CZ2-CG2 4.3Å; W223-I240 HydrophobicContact CZ3-CG2 3.85Å; W223-S241 VanDerWaalsContact CB-CB 3.48Å; W223-H265 AromaticContact CE3-CE1 3.79Å; W223-H265 AromaticContact CE3-NE2 3.86Å
224A98.7Very high97.9Very high0 Ų048.4 Ų48.40%025%0.25CS..  trans-68.1144.1-173.600000111.6G191 G192 L193 D220 S241 F242 F244 R263G191-A224 CarbonylContact C-O 3.56Å; G192-A224 PolarHBondContact N-O 2.67Å; L193-A224 WeakPolarHBondContact O-CB 3.12Å; D220-A224 HydrophobicContact CB-CB 4.37Å; D220-A224 WeakPolarHBondContact O-CB 3.36Å; D220-A224 PolarHBondContact O-N 3.26Å; A224-S241 WeakPolarHBondContact CA-OG 3.22Å; A224-S241 WeakPolarHBondContact CB-OG 3.39Å; A224-S241 PolarHBondContact N-OG 2.95Å; A224-F242 VanDerWaalsContact CA-O 3.27Å; A224-F242 WeakPolarHBondContact CA-O 3.39Å; A224-F242 WeakPolarHBondContact CB-O 3.4Å; A224-F244 HydrophobicContact CB-CD1 4.02Å; A224-F244 HydrophobicContact CB-CE1 3.77Å; A224-R263 PolarHBondContact O-NH2 3.12Å
225D98.7Very high98Very high6 Ų649.5 Ų49.53%0.03226%0.255CS..EExtended strand (participates in β ladder)trans-122.7141.7-177.6-82.6-39.4000112.6R238 F242 A243 F244 R263 H265 Q266D225-R238 IonicContact OD1-NH2 3.91Å; D225-R238 IonicContact OD2-CZ 2.69Å; D225-R238 IonicContact OD2-NE 2.83Å; D225-R238 PolarHBondContact OD2-NE 2.84Å; D225-R238 IonicContact OD2-NH2 3.47Å; D225-R238 PolarHBondContact OD2-NH2 2.9Å; D225-R238 VanDerWaalsContact OD2-NH2 3.14Å; D225-F242 PolarHBondContact N-O 3.28Å; D225-F242 VanDerWaalsContact N-O 3.14Å; D225-A243 CarbonylContact O-C 3.59Å; D225-A243 WeakPolarHBondContact O-CA 3.41Å; D225-F244 VanDerWaalsContact O-CD1 3.24Å; D225-F244 WeakPolarHBondContact O-CD1 3.41Å; D225-F244 WeakPolarHBondContact O-CE1 3.33Å; D225-F244 PolarHBondContact O-N 2.71Å; D225-R263 IonicContact OD1-CZ 2.72Å; D225-R263 VanDerWaalsContact OD1-CZ 3.25Å; D225-R263 IonicContact OD1-NH1 3.61Å; D225-R263 PolarHBondContact OD1-NH1 2.93Å; D225-R263 IonicContact OD1-NH2 3.14Å; D225-R263 PolarHBondContact OD1-NH2 2.9Å; D225-H265 IonicContact OD1-CD2 3.37Å; D225-H265 PolarHBondContact OD1-CD2 2.84Å; D225-H265 VanDerWaalsContact OD1-CD2 3.31Å; D225-H265 IonicContact OD2-CD2 3.46Å; D225-Q266 VanDerWaalsContact CG-NE2 3.3Å; D225-Q266 VanDerWaalsContact OD1-CG 3.26Å; D225-Q266 WeakPolarHBondContact OD1-CG 3.47Å; D225-Q266 PolarHBondContact OD1-NE2 3.46Å
226P98.6Very high97.9Very high15 Ų1541.3 Ų41.310%0.09722%0.224CC..EExtended strand (participates in β ladder)trans-70.4141168.330.1-33.9000111F244 F275 L280P226-F244 WeakPolarHBondContact CA-O 3.18Å; P226-F244 HydrophobicContact CB-CD2 4.44Å; P226-F244 HydrophobicContact CB-CE2 3.84Å; P226-F244 HydrophobicContact CB-CZ 4.05Å; P226-F275 HydrophobicContact CB-CD1 3.82Å; P226-F275 HydrophobicContact CB-CD2 4.13Å; P226-F275 HydrophobicContact CB-CE1 3.76Å; P226-F275 HydrophobicContact CB-CE2 4.07Å; P226-F275 HydrophobicContact CB-CG 4.01Å; P226-F275 HydrophobicContact CB-CZ 3.88Å; P226-L280 HydrophobicContact CB-CD2 4.46Å; P226-L280 HydrophobicContact CG-CD2 4.12Å
227D98.2Very high97.8Very high49 Ų4946.6 Ų46.626%0.26226%0.258SS..  trans-136.6122.2174.5-175-16.5000110.1T229 I230 A243 F244D227-T229 VanDerWaalsContact C-N 3.26Å; D227-T229 PolarHBondContact O-N 3.23Å; D227-T229 WeakPolarHBondContact OD1-CB 3.44Å; D227-T229 PolarHBondContact OD1-N 3.2Å; D227-T229 PolarHBondContact OD1-OG1 2.63Å; D227-T229 PolarHBondContact OD2-OG1 3.32Å; D227-I230 HydrophobicContact CB-CD1 4.05Å; D227-I230 HydrophobicContact CB-CG1 3.99Å; D227-A243 HydrophobicContact CB-CB 4.04Å; D227-F244 PolarHBondContact N-O 3.22Å
228S97Very high97.6Very high94 Ų9450.2 Ų50.266%0.65727%0.271SS*.THydrogen-bonded Turntrans-78.4-9.5-177.956.40000113.8
229T96.9Very high97.6Very high117 Ų11753.9 Ų53.972%0.71831%0.309SS*.THydrogen-bonded Turntrans-94.5-5-174.570.70000113.5D227D227-T229 VanDerWaalsContact C-N 3.26Å; D227-T229 PolarHBondContact O-N 3.23Å; D227-T229 WeakPolarHBondContact OD1-CB 3.44Å; D227-T229 PolarHBondContact OD1-N 3.2Å; D227-T229 PolarHBondContact OD1-OG1 2.63Å; D227-T229 PolarHBondContact OD2-OG1 3.32Å
230I97.3Very high97.5Very high48 Ų4855.9 Ų55.925%0.24632%0.319CS..  trans-119.7160.3-177.770.8174000112.2D227 A243D227-I230 HydrophobicContact CB-CD1 4.05Å; D227-I230 HydrophobicContact CB-CG1 3.99Å; I230-A243 HydrophobicContact CD1-CB 3.69Å
231E97.9Very high97.5Very high171 Ų17156.9 Ų56.980%0.79933%0.326SS*.SBendtrans-114.3136168.4-175.2177-177.400108.2
232G98.5Very high97.5Very high17 Ų1760.4 Ų60.418%0.17534%0.341CS..SBendtrans74.3-139.6-176.600000113.4F244 G245 D247 V248G232-F244 WeakPolarHBondContact O-CA 3.38Å; G232-G245 PolarHBondContact O-N 3.19Å; G232-D247 WeakPolarHBondContact CA-OD2 3.35Å; G232-D247 VanDerWaalsContact N-CG 3.32Å; G232-D247 PolarHBondContact N-OD1 2.93Å; G232-D247 PolarHBondContact N-OD2 3.5Å; G232-V248 VanDerWaalsContact C-CG2 3.44Å; G232-V248 VanDerWaalsContact O-CG2 3.24Å; G232-V248 WeakPolarHBondContact O-CG2 3.13Å
233W98.4Very high97.5Very high85 Ų8560.5 Ų60.532%0.32234%0.342SS..EExtended strand (participates in β ladder)trans-103.9137.2178.9-60.192.2000110.4L193 S194 P195 F242 A243 F244 V248 L252L193-W233 HydrophobicContact CB-CH2 3.74Å; L193-W233 HydrophobicContact CB-CZ3 4.41Å; L193-W233 WeakPolarHBondContact O-CZ3 3.41Å; S194-W233 WeakPolarHBondContact O-CH2 3.41Å; S194-W233 WeakPolarHBondContact O-CZ2 3.33Å; P195-W233 VanDerWaalsContact CA-CZ2 3.44Å; P195-W233 HydrophobicContact CB-CD2 3.98Å; P195-W233 HydrophobicContact CB-CG 4.33Å; P195-W233 HydrophobicContact CB-CZ2 4.07Å; P195-W233 HydrophobicContact CG-CD2 4.37Å; P195-W233 HydrophobicContact CG-CE3 4.45Å; P195-W233 VanDerWaalsContact N-CH2 3.27Å; P195-W233 VanDerWaalsContact N-CZ2 3.27Å; W233-F242 HydrophobicContact CE3-CB 3.8Å; W233-F242 HydrophobicContact CE3-CG 4.3Å; W233-F242 HydrophobicContact CZ3-CB 4.38Å; W233-A243 WeakPolarHBondContact CA-O 3.06Å; W233-F244 HydrophobicContact CD2-CB 4.37Å; W233-F244 HydrophobicContact CE3-CB 3.7Å; W233-F244 HydrophobicContact CH2-CB 4.23Å; W233-F244 HydrophobicContact CZ3-CB 3.62Å; W233-F244 AromaticContact CZ3-CD1 3.99Å; W233-F244 HydrophobicContact CZ3-CD1 3.99Å; W233-F244 HydrophobicContact CZ3-CG 4.07Å; W233-V248 HydrophobicContact CD2-CG1 4.48Å; W233-V248 HydrophobicContact CD2-CG2 4.46Å; W233-V248 HydrophobicContact CH2-CG1 3.66Å; W233-V248 HydrophobicContact CZ2-CG1 3.29Å; W233-V248 HydrophobicContact CZ3-CG1 4.42Å; W233-L252 HydrophobicContact CH2-CD1 4.37Å; W233-L252 HydrophobicContact CZ2-CD1 4.16Å
234G97.8Very high97.5Very high21 Ų2159.1 Ų59.122%0.21634%0.337CS..EExtended strand (participates in β ladder)trans-128.8169.1178.900000112.4F242 A243G234-F242 WeakPolarHBondContact O-CA 3.36Å; G234-A243 PolarHBondContact N-O 3.25Å; G234-A243 PolarHBondContact O-N 2.97Å
235E96.1Very high97.5Very high189 Ų18959.1 Ų59.188%0.88334%0.337SS*.EExtended strand (participates in β ladder)trans-66.5133.8172.3-68.5-175.5170.500110.3
236S96.9Very high97.5Very high10 Ų1061 Ų617%0.0735%0.349CS..  trans-74.3132.1173.4174.70000110.3R238 G239 I240 S241S236-R238 PolarHBondContact O-N 2.86Å; S236-R238 WeakPolarHBondContact OG-CB 3.48Å; S236-R238 PolarHBondContact OG-N 3.01Å; S236-G239 PolarHBondContact O-N 3.4Å; S236-I240 WeakPolarHBondContact CB-O 3.14Å; S236-I240 PolarHBondContact OG-O 2.99Å; S236-I240 VanDerWaalsContact OG-O 3.09Å; S236-S241 WeakPolarHBondContact CB-O 3.45Å
237P93.9Very high97.5Very high120 Ų12062.9 Ų62.978%0.77936%0.359SS*.THydrogen-bonded Turntrans-63.9-12.3174.127.7-34.8000112.9G239P237-G239 VanDerWaalsContact C-N 3.27Å; P237-G239 PolarHBondContact O-N 2.85Å
238R95.1Very high97.5Very high80 Ų8060.8 Ų60.830%0.30235%0.347SS..THydrogen-bonded Turntrans-78.8-8175.3-55.7-177-175.2-101.915.2113.5D225 S236 I240 H265D225-R238 IonicContact OD1-NH2 3.91Å; D225-R238 IonicContact OD2-CZ 2.69Å; D225-R238 IonicContact OD2-NE 2.83Å; D225-R238 PolarHBondContact OD2-NE 2.84Å; D225-R238 IonicContact OD2-NH2 3.47Å; D225-R238 PolarHBondContact OD2-NH2 2.9Å; D225-R238 VanDerWaalsContact OD2-NH2 3.14Å; S236-R238 PolarHBondContact O-N 2.86Å; S236-R238 WeakPolarHBondContact OG-CB 3.48Å; S236-R238 PolarHBondContact OG-N 3.01Å; R238-I240 HydrophobicContact CB-CG2 4.1Å; R238-I240 PolarHBondContact O-N 2.71Å; R238-H265 VanDerWaalsContact CZ-NE2 3.26Å; R238-H265 PolarHBondContact NE-NE2 3.1Å; R238-H265 PolarHBondContact NH2-CD2 3.24Å; R238-H265 PolarHBondContact NH2-NE2 2.9Å; R238-H265 PolarHBondContact NH2-O 3.23Å
239G96.4Very high97.6Very high77 Ų7756.3 Ų56.379%0.79432%0.316SS*.SBendtrans71.512.9-175.800000114.4S236 P237S236-G239 PolarHBondContact O-N 3.4Å; P237-G239 VanDerWaalsContact C-N 3.27Å; P237-G239 PolarHBondContact O-N 2.85Å
240I97.6Very high97.6Very high42 Ų4252.3 Ų52.322%0.21529%0.293CS..SBendtrans-143.9144.8176.5-172.2163.1000109.5W223 S236 R238W223-I240 HydrophobicContact CB-CG2 4.4Å; W223-I240 HydrophobicContact CD2-CD1 4.38Å; W223-I240 HydrophobicContact CD2-CG2 3.59Å; W223-I240 HydrophobicContact CE3-CG2 3.51Å; W223-I240 HydrophobicContact CG-CD1 4.38Å; W223-I240 HydrophobicContact CG-CG1 4.37Å; W223-I240 HydrophobicContact CG-CG2 4.03Å; W223-I240 HydrophobicContact CH2-CG2 4.22Å; W223-I240 HydrophobicContact CZ2-CD1 4.34Å; W223-I240 HydrophobicContact CZ2-CG2 4.3Å; W223-I240 HydrophobicContact CZ3-CG2 3.85Å; S236-I240 WeakPolarHBondContact CB-O 3.14Å; S236-I240 PolarHBondContact OG-O 2.99Å; S236-I240 VanDerWaalsContact OG-O 3.09Å; R238-I240 HydrophobicContact CB-CG2 4.1Å; R238-I240 PolarHBondContact O-N 2.71Å
241S98.1Very high97.7Very high21 Ų2154.8 Ų54.815%0.14730%0.303CS..SBendtrans59-157.1-176.2-173.50000112.4D220 W223 A224 S236D220-S241 WeakPolarHBondContact CA-OG 3.07Å; D220-S241 PolarHBondContact OD1-OG 3.31Å; W223-S241 VanDerWaalsContact CB-CB 3.48Å; A224-S241 WeakPolarHBondContact CA-OG 3.22Å; A224-S241 WeakPolarHBondContact CB-OG 3.39Å; A224-S241 PolarHBondContact N-OG 2.95Å; S236-S241 WeakPolarHBondContact CB-O 3.45Å
242F98.3Very high97.7Very high77 Ų7746.9 Ų46.934%0.33827%0.267SS..EExtended strand (participates in β ladder)trans-124.7154.7-173.3-59.3-84.3000112.3P195 A224 D225 W233 G234P195-F242 HydrophobicContact CG-CD2 3.93Å; P195-F242 HydrophobicContact CG-CE2 3.7Å; P195-F242 HydrophobicContact CG-CZ 4.2Å; A224-F242 VanDerWaalsContact CA-O 3.27Å; A224-F242 WeakPolarHBondContact CA-O 3.39Å; A224-F242 WeakPolarHBondContact CB-O 3.4Å; D225-F242 PolarHBondContact N-O 3.28Å; D225-F242 VanDerWaalsContact N-O 3.14Å; W233-F242 HydrophobicContact CE3-CB 3.8Å; W233-F242 HydrophobicContact CE3-CG 4.3Å; W233-F242 HydrophobicContact CZ3-CB 4.38Å; G234-F242 WeakPolarHBondContact O-CA 3.36Å
243A98.6Very high97.7Very high2 Ų249.7 Ų49.72%0.01727%0.272CS..EExtended strand (participates in β ladder)trans-87.7152.2155.200000109.6D225 D227 I230 W233 G234D225-A243 CarbonylContact O-C 3.59Å; D225-A243 WeakPolarHBondContact O-CA 3.41Å; D227-A243 HydrophobicContact CB-CB 4.04Å; I230-A243 HydrophobicContact CD1-CB 3.69Å; W233-A243 WeakPolarHBondContact CA-O 3.06Å; G234-A243 PolarHBondContact N-O 3.25Å; G234-A243 PolarHBondContact O-N 2.97Å
244F98.8Very high97.6Very high0 Ų053.1 Ų53.10%029%0.291CS..EExtended strand (participates in β ladder)trans-139.7140.9176.557.2-90.8000114.2L193 A224 D225 P226 D227 G232 W233 V248 V249 L280L193-F244 HydrophobicContact CB-CD1 4.42Å; L193-F244 HydrophobicContact CB-CE1 4.33Å; L193-F244 HydrophobicContact CB-CE2 4.42Å; L193-F244 HydrophobicContact CB-CZ 4.33Å; L193-F244 HydrophobicContact CD1-CD2 4.14Å; L193-F244 HydrophobicContact CD1-CE2 3.96Å; L193-F244 HydrophobicContact CG-CD2 4.42Å; L193-F244 HydrophobicContact CG-CE2 3.99Å; L193-F244 HydrophobicContact CG-CZ 4.08Å; A224-F244 HydrophobicContact CB-CD1 4.02Å; A224-F244 HydrophobicContact CB-CE1 3.77Å; D225-F244 VanDerWaalsContact O-CD1 3.24Å; D225-F244 WeakPolarHBondContact O-CD1 3.41Å; D225-F244 WeakPolarHBondContact O-CE1 3.33Å; D225-F244 PolarHBondContact O-N 2.71Å; P226-F244 WeakPolarHBondContact CA-O 3.18Å; P226-F244 HydrophobicContact CB-CD2 4.44Å; P226-F244 HydrophobicContact CB-CE2 3.84Å; P226-F244 HydrophobicContact CB-CZ 4.05Å; D227-F244 PolarHBondContact N-O 3.22Å; G232-F244 WeakPolarHBondContact O-CA 3.38Å; W233-F244 HydrophobicContact CD2-CB 4.37Å; W233-F244 HydrophobicContact CE3-CB 3.7Å; W233-F244 HydrophobicContact CH2-CB 4.23Å; W233-F244 HydrophobicContact CZ3-CB 3.62Å; W233-F244 AromaticContact CZ3-CD1 3.99Å; W233-F244 HydrophobicContact CZ3-CD1 3.99Å; W233-F244 HydrophobicContact CZ3-CG 4.07Å; F244-V248 HydrophobicContact CB-CB 4.15Å; F244-V248 HydrophobicContact CB-CG1 4.04Å; F244-V248 HydrophobicContact CB-CG2 4.34Å; F244-V249 HydrophobicContact CD2-CG2 3.79Å; F244-V249 HydrophobicContact CE2-CG2 3.69Å; F244-L280 HydrophobicContact CE2-CD1 3.78Å; F244-L280 HydrophobicContact CZ-CD1 4.03Å
245G98.6Very high97.5Very high0 Ų056.6 Ų56.60%030%0.302CS..  trans-80.5170.2-176.200000115.1G232 D247 V248 V249G232-G245 PolarHBondContact O-N 3.19Å; G245-D247 WeakPolarHBondContact CA-OD1 3.45Å; G245-D247 PolarHBondContact O-N 3.25Å; G245-V248 PolarHBondContact O-N 2.91Å; G245-V249 PolarHBondContact O-N 2.73Å
246P98.6Very high97.6Very high45 Ų4548.2 Ų48.229%0.29226%0.263SS..Hα-helixtrans-60.7-27.8175.7-22.833.6000114.7S250 F275 A276P246-S250 PolarHBondContact O-N 3.08Å; P246-S250 VanDerWaalsContact O-N 3.09Å; P246-S250 PolarHBondContact O-OG 2.92Å; P246-F275 HydrophobicContact CB-CE1 4.3Å; P246-F275 HydrophobicContact CB-CZ 4.25Å; P246-F275 HydrophobicContact CG-CE1 4.15Å; P246-F275 HydrophobicContact CG-CE2 4.15Å; P246-F275 HydrophobicContact CG-CZ 3.61Å; P246-A276 HydrophobicContact CB-CB 3.89Å
247D98.6Very high97.6Very high56 Ų5654.5 Ų54.530%0.29930%0.296SS..Hα-helixtrans-67.1-44.3176.761.5-60.1000111.4G232 G245 V249 S250 Q251G232-D247 WeakPolarHBondContact CA-OD2 3.35Å; G232-D247 VanDerWaalsContact N-CG 3.32Å; G232-D247 PolarHBondContact N-OD1 2.93Å; G232-D247 PolarHBondContact N-OD2 3.5Å; G245-D247 WeakPolarHBondContact CA-OD1 3.45Å; G245-D247 PolarHBondContact O-N 3.25Å; D247-V249 VanDerWaalsContact C-N 3.33Å; D247-V249 PolarHBondContact O-N 3.39Å; D247-S250 PolarHBondContact O-N 3.21Å; D247-S250 VanDerWaalsContact O-N 3.14Å; D247-Q251 WeakPolarHBondContact O-CB 3.22Å; D247-Q251 PolarHBondContact O-N 2.9Å
248V98.7Very high97.8Very high4 Ų449 Ų492%0.02426%0.26CS..Hα-helixtrans-58.7-45.2174.6174.20000111L193 G232 W233 F244 G245 S250 Q251 L252L193-V248 HydrophobicContact CD1-CG1 4.3Å; G232-V248 VanDerWaalsContact C-CG2 3.44Å; G232-V248 VanDerWaalsContact O-CG2 3.24Å; G232-V248 WeakPolarHBondContact O-CG2 3.13Å; W233-V248 HydrophobicContact CD2-CG1 4.48Å; W233-V248 HydrophobicContact CD2-CG2 4.46Å; W233-V248 HydrophobicContact CH2-CG1 3.66Å; W233-V248 HydrophobicContact CZ2-CG1 3.29Å; W233-V248 HydrophobicContact CZ3-CG1 4.42Å; F244-V248 HydrophobicContact CB-CB 4.15Å; F244-V248 HydrophobicContact CB-CG1 4.04Å; F244-V248 HydrophobicContact CB-CG2 4.34Å; G245-V248 PolarHBondContact O-N 2.91Å; V248-S250 VanDerWaalsContact C-N 3.31Å; V248-S250 PolarHBondContact O-N 3.31Å; V248-Q251 PolarHBondContact O-N 3.18Å; V248-L252 HydrophobicContact CG1-CD1 3.96Å; V248-L252 HydrophobicContact CG1-CG 4.49Å; V248-L252 WeakPolarHBondContact O-CB 3.4Å; V248-L252 PolarHBondContact O-N 3.06Å
249V98.6Very high98Very high0 Ų049.6 Ų49.60%027%0.27CS..Hα-helixtrans-60-45.1177177.20000110.6L193 F244 G245 D247 R253 F261 F275 A276 R279 L280L193-V249 HydrophobicContact CD1-CB 4.45Å; L193-V249 HydrophobicContact CD1-CG2 3.96Å; F244-V249 HydrophobicContact CD2-CG2 3.79Å; F244-V249 HydrophobicContact CE2-CG2 3.69Å; G245-V249 PolarHBondContact O-N 2.73Å; D247-V249 VanDerWaalsContact C-N 3.33Å; D247-V249 PolarHBondContact O-N 3.39Å; V249-R253 WeakPolarHBondContact O-CB 3.22Å; V249-R253 PolarHBondContact O-N 3.32Å; V249-F261 HydrophobicContact CG1-CD2 3.91Å; V249-F261 HydrophobicContact CG1-CE2 4.21Å; V249-F275 HydrophobicContact CG2-CD1 3.95Å; V249-F275 HydrophobicContact CG2-CE1 3.73Å; V249-A276 HydrophobicContact CB-CB 3.77Å; V249-A276 HydrophobicContact CG1-CB 3.76Å; V249-A276 HydrophobicContact CG2-CB 4.24Å; V249-R279 HydrophobicContact CG1-CB 3.83Å; V249-L280 HydrophobicContact CG1-CB 3.99Å; V249-L280 HydrophobicContact CG2-CD1 4.11Å
250S98.1Very high98.1Very high33 Ų3346.9 Ų46.923%0.23124%0.237CC..Hα-helixtrans-66.9-39.5-178.3-600000112.3P246 D247 V248 Q254P246-S250 PolarHBondContact O-N 3.08Å; P246-S250 VanDerWaalsContact O-N 3.09Å; P246-S250 PolarHBondContact O-OG 2.92Å; D247-S250 PolarHBondContact O-N 3.21Å; D247-S250 VanDerWaalsContact O-N 3.14Å; V248-S250 VanDerWaalsContact C-N 3.31Å; V248-S250 PolarHBondContact O-N 3.31Å; S250-Q254 WeakPolarHBondContact O-CG 3.44Å; S250-Q254 PolarHBondContact O-N 3.44Å
251Q97.9Very high98.1Very high100 Ų10045 Ų4547%0.46723%0.227SC..Hα-helixtrans-65.9-57.2176.1178.3-178.4-8.500111.2D247 V248 R253 Q254 E255D247-Q251 WeakPolarHBondContact O-CB 3.22Å; D247-Q251 PolarHBondContact O-N 2.9Å; V248-Q251 PolarHBondContact O-N 3.18Å; Q251-R253 PolarHBondContact O-N 2.91Å; Q251-Q254 WeakPolarHBondContact O-CB 3.17Å; Q251-Q254 PolarHBondContact O-N 3.36Å; Q251-E255 HydrophobicContact CG-CG 4.33Å; Q251-E255 VanDerWaalsContact CG-OE1 3.32Å; Q251-E255 WeakPolarHBondContact CG-OE1 3.41Å; Q251-E255 PolarHBondContact NE2-OE1 3.09Å; Q251-E255 PolarHBondContact O-N 3.36Å
252L98.1Very high98.2Very high5 Ų544 Ų443%0.02622%0.22CC..Hα-helixtrans-63.7-32-176.9-78177.4000112.4L193 L197 W233 V248 Q254 E255 L256 F261L193-L252 HydrophobicContact CB-CD1 3.79Å; L193-L252 HydrophobicContact CD1-CB 4.35Å; L193-L252 HydrophobicContact CD1-CD1 3.82Å; L193-L252 HydrophobicContact CD2-CD1 4.47Å; L193-L252 HydrophobicContact CG-CD1 4.23Å; L197-L252 VanDerWaalsContact O-CD2 3.28Å; L197-L252 WeakPolarHBondContact O-CD2 3.47Å; W233-L252 HydrophobicContact CH2-CD1 4.37Å; W233-L252 HydrophobicContact CZ2-CD1 4.16Å; V248-L252 HydrophobicContact CG1-CD1 3.96Å; V248-L252 HydrophobicContact CG1-CG 4.49Å; V248-L252 WeakPolarHBondContact O-CB 3.4Å; V248-L252 PolarHBondContact O-N 3.06Å; L252-Q254 VanDerWaalsContact C-N 3.3Å; L252-Q254 PolarHBondContact O-N 2.86Å; L252-E255 PolarHBondContact O-N 3.19Å; L252-L256 HydrophobicContact CB-CD1 4.45Å; L252-L256 VanDerWaalsContact O-CB 3.24Å; L252-L256 WeakPolarHBondContact O-CB 3.33Å; L252-L256 WeakPolarHBondContact O-CG 3.1Å; L252-L256 PolarHBondContact O-N 3.24Å; L252-F261 HydrophobicContact CB-CZ 4.16Å
253R97.7Very high98.2Very high77 Ų7740.4 Ų40.429%0.29120%0.204SC..Hα-helixtrans-56.5-46172.4-175.6-165.8137.9-162-10.4111.4V249 Q251 D257 V258 F261V249-R253 WeakPolarHBondContact O-CB 3.22Å; V249-R253 PolarHBondContact O-N 3.32Å; Q251-R253 PolarHBondContact O-N 2.91Å; R253-D257 PolarHBondContact O-N 3.21Å; R253-V258 HydrophobicContact CG-CG2 4.2Å; R253-V258 WeakPolarHBondContact CG-O 3.3Å; R253-V258 PolarHBondContact NE-O 2.97Å; R253-V258 PolarHBondContact O-N 3.39Å; R253-V258 VanDerWaalsContact O-N 3.14Å; R253-F261 HydrophobicContact CB-CE2 3.82Å; R253-F261 HydrophobicContact CB-CZ 4.39Å
254Q96.8Very high98.2Very high156 Ų15640.3 Ų40.373%0.72920%0.203SC*.Hα-helixtrans-70.8-43.5179.2-68.1177.712.400111.8S250 Q251 L252 L256 D257S250-Q254 WeakPolarHBondContact O-CG 3.44Å; S250-Q254 PolarHBondContact O-N 3.44Å; Q251-Q254 WeakPolarHBondContact O-CB 3.17Å; Q251-Q254 PolarHBondContact O-N 3.36Å; L252-Q254 VanDerWaalsContact C-N 3.3Å; L252-Q254 PolarHBondContact O-N 2.86Å; Q254-L256 VanDerWaalsContact C-N 3.33Å; Q254-L256 PolarHBondContact O-N 3.43Å; Q254-D257 PolarHBondContact O-N 3.17Å
255E97.1Very high98.2Very high95 Ų9540.8 Ų40.844%0.44421%0.206SC..Hα-helixtrans-65-36.6-179-70179.9-179.900112.6Q251 L252Q251-E255 HydrophobicContact CG-CG 4.33Å; Q251-E255 VanDerWaalsContact CG-OE1 3.32Å; Q251-E255 WeakPolarHBondContact CG-OE1 3.41Å; Q251-E255 PolarHBondContact NE2-OE1 3.09Å; Q251-E255 PolarHBondContact O-N 3.36Å; L252-E255 PolarHBondContact O-N 3.19Å
256L97.8Very high98.2Very high12 Ų1243.4 Ų43.46%0.06322%0.218CC..THydrogen-bonded Turntrans-90.9-3.6-179.4-57.8178.3000113.5L187 L197 I200 L252 Q254 V258 F261L187-L256 HydrophobicContact CD2-CD1 4.47Å; L197-L256 HydrophobicContact CD2-CD1 3.66Å; L197-L256 HydrophobicContact CG-CD1 3.98Å; L197-L256 HydrophobicContact CG-CD2 4.41Å; I200-L256 HydrophobicContact CD1-CB 4.35Å; I200-L256 WeakPolarHBondContact CD1-O 3.47Å; I200-L256 HydrophobicContact CG1-CB 4.14Å; I200-L256 HydrophobicContact CG1-CD2 4.18Å; L252-L256 HydrophobicContact CB-CD1 4.45Å; L252-L256 VanDerWaalsContact O-CB 3.24Å; L252-L256 WeakPolarHBondContact O-CB 3.33Å; L252-L256 WeakPolarHBondContact O-CG 3.1Å; L252-L256 PolarHBondContact O-N 3.24Å; Q254-L256 VanDerWaalsContact C-N 3.33Å; Q254-L256 PolarHBondContact O-N 3.43Å; L256-V258 HydrophobicContact CB-CG2 4.34Å; L256-V258 PolarHBondContact O-N 2.94Å; L256-F261 HydrophobicContact CD1-CE1 4.17Å; L256-F261 HydrophobicContact CD1-CZ 4.23Å
257D97.2Very high98.1Very high143 Ų14343.4 Ų43.477%0.76522%0.217SC*.THydrogen-bonded Turntrans5349.7-177.8-162.632.7000113.5R253 Q254R253-D257 PolarHBondContact O-N 3.21Å; Q254-D257 PolarHBondContact O-N 3.17Å
258V97.9Very high98.1Very high4 Ų441 Ų412%0.02420%0.204CC..  trans-115.5159.7175.7-65.80000111L181 S185 L187 I200 R253 L256 F261L181-V258 HydrophobicContact CD1-CG1 4.11Å; S185-V258 WeakPolarHBondContact O-CB 3.47Å; L187-V258 HydrophobicContact CB-CG1 4.38Å; I200-V258 HydrophobicContact CD1-CG1 3.96Å; R253-V258 HydrophobicContact CG-CG2 4.2Å; R253-V258 WeakPolarHBondContact CG-O 3.3Å; R253-V258 PolarHBondContact NE-O 2.97Å; R253-V258 PolarHBondContact O-N 3.39Å; R253-V258 VanDerWaalsContact O-N 3.14Å; L256-V258 HydrophobicContact CB-CG2 4.34Å; L256-V258 PolarHBondContact O-N 2.94Å; V258-F261 HydrophobicContact CG2-CD1 4.43Å; V258-F261 HydrophobicContact CG2-CE1 3.75Å; V258-F261 HydrophobicContact CG2-CE2 4.26Å; V258-F261 HydrophobicContact CG2-CZ 3.66Å
259D97.7Very high98Very high93 Ų9346.9 Ų46.950%0.49723%0.231SC..SBendtrans-93-37.8178.2-69.7-44.7000112.1S185S185-D259 VanDerWaalsContact CB-OD2 3.3Å; S185-D259 WeakPolarHBondContact CB-OD2 3.22Å; S185-D259 PolarHBondContact O-N 3.21Å; S185-D259 PolarHBondContact OG-OD2 2.94Å; S185-D259 VanDerWaalsContact OG-OD2 3.14Å
260L98.6Very high97.9Very high20 Ų2049.8 Ų49.811%0.10525%0.245CC..EExtended strand (participates in β ladder)trans-146.9136.4-171.5179.165.5000111.1S185 I186 L187 V262 L281S185-L260 PolarHBondContact O-N 3.43Å; I186-L260 WeakPolarHBondContact CA-O 3.45Å; I186-L260 HydrophobicContact CG1-CB 4.3Å; I186-L260 HydrophobicContact CG2-CB 4.23Å; I186-L260 HydrophobicContact CG2-CD2 4.25Å; I186-L260 HydrophobicContact CG2-CG 4.3Å; L187-L260 PolarHBondContact N-O 2.85Å; L260-V262 HydrophobicContact CD2-CG2 3.62Å; L260-V262 HydrophobicContact CG-CG2 3.8Å; L260-L281 HydrophobicContact CD1-CB 4.25Å
261F98.9Very high98Very high2 Ų248.2 Ų48.21%0.00923%0.234CC..EExtended strand (participates in β ladder)trans-92.8135.2160.4-60.3-74.4000109.7L187 L193 V249 L252 R253 L256 V258 R279 L280 L281L187-F261 HydrophobicContact CB-CD1 3.91Å; L187-F261 HydrophobicContact CB-CE1 4.18Å; L187-F261 HydrophobicContact CD2-CD1 3.97Å; L187-F261 HydrophobicContact CD2-CE1 3.74Å; L187-F261 HydrophobicContact CG-CD1 4.33Å; L187-F261 WeakPolarHBondContact O-CA 3.28Å; L193-F261 HydrophobicContact CD1-CD2 4.41Å; L193-F261 HydrophobicContact CD1-CE2 4.19Å; L193-F261 HydrophobicContact CD1-CZ 4.44Å; L193-F261 HydrophobicContact CD2-CD1 3.67Å; L193-F261 HydrophobicContact CD2-CD2 4.36Å; L193-F261 HydrophobicContact CD2-CE1 3.62Å; L193-F261 HydrophobicContact CD2-CE2 4.28Å; L193-F261 HydrophobicContact CD2-CG 4.06Å; L193-F261 HydrophobicContact CD2-CZ 3.93Å; V249-F261 HydrophobicContact CG1-CD2 3.91Å; V249-F261 HydrophobicContact CG1-CE2 4.21Å; L252-F261 HydrophobicContact CB-CZ 4.16Å; R253-F261 HydrophobicContact CB-CE2 3.82Å; R253-F261 HydrophobicContact CB-CZ 4.39Å; L256-F261 HydrophobicContact CD1-CE1 4.17Å; L256-F261 HydrophobicContact CD1-CZ 4.23Å; V258-F261 HydrophobicContact CG2-CD1 4.43Å; V258-F261 HydrophobicContact CG2-CE1 3.75Å; V258-F261 HydrophobicContact CG2-CE2 4.26Å; V258-F261 HydrophobicContact CG2-CZ 3.66Å; F261-R279 PolarHBondContact N-O 3.44Å; F261-L280 HydrophobicContact CB-CB 4.27Å; F261-L280 HydrophobicContact CB-CD1 4.14Å; F261-L280 HydrophobicContact CB-CG 4.12Å; F261-L280 CarbonylContact O-C 3.56Å; F261-L280 VanDerWaalsContact O-CA 3.28Å; F261-L280 WeakPolarHBondContact O-CA 3.49Å; F261-L281 PolarHBondContact O-N 2.99Å
262V98.9Very high98Very high0 Ų047.1 Ų47.10%023%0.226CC..EExtended strand (participates in β ladder)trans-122128.1172.9-176.50000108.4V74 M103 I186 L187 C188 V189 L260 L281 L283 M300V74-V262 HydrophobicContact CG1-CG1 4.3Å; M103-V262 HydrophobicContact CE-CG1 3.91Å; M103-V262 HydrophobicContact SD-CB 4.45Å; M103-V262 HydrophobicContact SD-CG1 3.79Å; I186-V262 HydrophobicContact CG2-CB 4.27Å; I186-V262 HydrophobicContact CG2-CG2 3.4Å; I186-V262 VanDerWaalsContact CG2-CG2 3.4Å; L187-V262 PolarHBondContact O-N 3.24Å; C188-V262 VanDerWaalsContact CA-O 3.26Å; C188-V262 WeakPolarHBondContact CA-O 3.41Å; V189-V262 PolarHBondContact N-O 2.87Å; V189-V262 VanDerWaalsContact N-O 3.08Å; L260-V262 HydrophobicContact CD2-CG2 3.62Å; L260-V262 HydrophobicContact CG-CG2 3.8Å; V262-L281 CarbonylContact C-O 3.11Å; V262-L281 WeakPolarHBondContact CA-O 3.45Å; V262-L281 HydrophobicContact CG1-CD2 4.04Å; V262-L281 HydrophobicContact CG1-CG 4.5Å; V262-L281 HydrophobicContact CG2-CB 4.32Å; V262-L281 HydrophobicContact CG2-CD2 4.2Å; V262-L283 HydrophobicContact CG1-CD1 3.67Å; V262-L283 HydrophobicContact CG1-CG 4.22Å; V262-M300 HydrophobicContact CG1-CE 4.14Å; V262-M300 HydrophobicContact CG2-CE 3.82Å; V262-M300 HydrophobicContact CG2-SD 4.26Å
263R98.9Very high98Very high1 Ų152.2 Ų52.20%0.00425%0.25CC..EExtended strand (participates in β ladder)trans-140.1172.2-175.571.681.553.9151.816.3113.3M103 V189 H190 G191 A224 D225 H265 Q266 L280 L281 T282 L283M103-R263 WeakPolarHBondContact CE-O 3.41Å; V189-R263 HydrophobicContact CG2-CB 4.26Å; V189-R263 VanDerWaalsContact O-CA 3.23Å; V189-R263 WeakPolarHBondContact O-CA 3.44Å; H190-R263 PolarHBondContact O-NE 3.3Å; G191-R263 VanDerWaalsContact C-NH2 3.26Å; G191-R263 VanDerWaalsContact O-CB 3.31Å; G191-R263 WeakPolarHBondContact O-CB 3.29Å; G191-R263 PolarHBondContact O-NE 3.24Å; G191-R263 PolarHBondContact O-NH2 3.24Å; A224-R263 PolarHBondContact O-NH2 3.12Å; D225-R263 IonicContact OD1-CZ 2.72Å; D225-R263 VanDerWaalsContact OD1-CZ 3.25Å; D225-R263 IonicContact OD1-NH1 3.61Å; D225-R263 PolarHBondContact OD1-NH1 2.93Å; D225-R263 IonicContact OD1-NH2 3.14Å; D225-R263 PolarHBondContact OD1-NH2 2.9Å; R263-H265 PolarHBondContact NH2-CD2 2.79Å; R263-Q266 VanDerWaalsContact NH1-CD 3.3Å; R263-L280 HydrophobicContact CG-CD1 4.38Å; R263-L280 HydrophobicContact CG-CD2 3.93Å; R263-L280 HydrophobicContact CG-CG 4.29Å; R263-L281 PolarHBondContact N-O 3.38Å; R263-T282 VanDerWaalsContact CD-OG1 3.27Å; R263-T282 WeakPolarHBondContact CD-OG1 3.27Å; R263-T282 CarbonylContact O-C 3.59Å; R263-T282 WeakPolarHBondContact O-CA 3.38Å; R263-L283 PolarHBondContact O-N 3.45Å
264A98.9Very high98Very high0 Ų052.2 Ų52.20%025%0.252CS..  trans-122.8-131-174.300000112.5D77 M103 H190 Q266 L283D77-A264 WeakPolarHBondContact OD1-CB 3.16Å; M103-A264 HydrophobicContact CB-CB 3.98Å; M103-A264 HydrophobicContact CE-CB 3.92Å; H190-A264 CarbonylContact O-C 3.48Å; H190-A264 PolarHBondContact O-N 3.29Å; A264-Q266 PolarHBondContact O-N 3.09Å; A264-L283 VanDerWaalsContact CA-O 3.24Å; A264-L283 WeakPolarHBondContact CA-O 3.46Å
265H98.6Very high98.1Very high11 Ų1146.1 Ų46.15%0.05122%0.223CC..SBendtrans68.1-21.8158.1-168.361.1000118.4D77 N137 H190 W223 D225 R238 R263D77-H265 PolarHBondContact OD1-N 3.44Å; N137-H265 PolarHBondContact OD1-CE1 3.27Å; N137-H265 VanDerWaalsContact OD1-CE1 3.3Å; N137-H265 PolarHBondContact OD1-ND1 2.78Å; H190-H265 AromaticContact CD2-CG 3.96Å; H190-H265 AromaticContact CD2-ND1 3.71Å; H190-H265 VanDerWaalsContact NE2-CB 3.34Å; H190-H265 WeakPolarHBondContact NE2-CB 3.41Å; H190-H265 AromaticContact NE2-CG 3.53Å; H190-H265 AromaticContact NE2-ND1 3.1Å; H190-H265 PolarHBondContact NE2-ND1 3.45Å; W223-H265 AromaticContact CE3-CE1 3.79Å; W223-H265 AromaticContact CE3-NE2 3.86Å; D225-H265 IonicContact OD1-CD2 3.37Å; D225-H265 PolarHBondContact OD1-CD2 2.84Å; D225-H265 VanDerWaalsContact OD1-CD2 3.31Å; D225-H265 IonicContact OD2-CD2 3.46Å; R238-H265 VanDerWaalsContact CZ-NE2 3.26Å; R238-H265 PolarHBondContact NE-NE2 3.1Å; R238-H265 PolarHBondContact NH2-CD2 3.24Å; R238-H265 PolarHBondContact NH2-NE2 2.9Å; R238-H265 PolarHBondContact NH2-O 3.23Å; R263-H265 PolarHBondContact NH2-CD2 2.79Å
266Q98.3Very high98.2Very high54 Ų5442.3 Ų42.325%0.25221%0.208SC..SBendtrans-116.3127.1176.2-80.5174.2-37.700110.2D225 R263 A264 V268 T282 F284D225-Q266 VanDerWaalsContact CG-NE2 3.3Å; D225-Q266 VanDerWaalsContact OD1-CG 3.26Å; D225-Q266 WeakPolarHBondContact OD1-CG 3.47Å; D225-Q266 PolarHBondContact OD1-NE2 3.46Å; R263-Q266 VanDerWaalsContact NH1-CD 3.3Å; A264-Q266 PolarHBondContact O-N 3.09Å; Q266-V268 PolarHBondContact O-N 3.38Å; Q266-T282 HydrophobicContact CB-CG2 4.18Å; Q266-F284 WeakPolarHBondContact O-CD2 3.49Å
267V97.8Very high98.1Very high46 Ų4644.6 Ų44.628%0.27923%0.234SC..  trans-64.4123.1171-174.90000108.7F284 Y289 F293 N295V267-F284 HydrophobicContact CB-CE2 4.43Å; V267-F284 HydrophobicContact CG2-CD2 4.27Å; V267-F284 HydrophobicContact CG2-CE1 4.12Å; V267-F284 HydrophobicContact CG2-CE2 3.69Å; V267-F284 HydrophobicContact CG2-CZ 3.63Å; V267-Y289 HydrophobicContact CG2-CD1 3.42Å; V267-Y289 VanDerWaalsContact CG2-CD1 3.42Å; V267-Y289 HydrophobicContact CG2-CE1 3.93Å; V267-Y289 HydrophobicContact CG2-CG 4.03Å; V267-F293 HydrophobicContact CB-CD1 4.45Å; V267-F293 HydrophobicContact CG1-CB 4.11Å; V267-F293 HydrophobicContact CG1-CD1 4.07Å; V267-F293 HydrophobicContact CG1-CG 4.14Å; V267-N295 HydrophobicContact CG1-CB 3.81Å
268V97.6Very high98.1Very high5 Ų542.8 Ų42.83%0.0323%0.225CC..  trans-124.2141.6177.6-65.20000109.9Q266 E270 G271 Q273 T282 F284Q266-V268 PolarHBondContact O-N 3.38Å; V268-E270 PolarHBondContact O-N 3.01Å; V268-G271 PolarHBondContact O-N 2.86Å; V268-Q273 HydrophobicContact CB-CB 3.97Å; V268-Q273 HydrophobicContact CG1-CB 3.78Å; V268-Q273 VanDerWaalsContact CG1-OE1 3.25Å; V268-Q273 HydrophobicContact CG2-CB 4.33Å; V268-T282 HydrophobicContact CG1-CG2 3.77Å; V268-T282 HydrophobicContact CG2-CG2 4.4Å; V268-F284 HydrophobicContact CG2-CB 4.18Å
269H96.6Very high98.1Very high128 Ų12846.6 Ų46.659%0.59324%0.239SC*.THydrogen-bonded Turntrans-56.7-44.9-165.2-174.764.6000113.9G271 N295 A296H269-G271 VanDerWaalsContact C-N 3.31Å; H269-N295 CarbonylContact O-C 3.58Å; H269-N295 WeakPolarHBondContact O-CA 3.33Å; H269-A296 PolarHBondContact O-N 2.94Å
270E97.3Very high98.2Very high61 Ų6142.2 Ų42.229%0.28522%0.215SC..THydrogen-bonded Turntrans-90.67.5-178.9-66.5-64.7120.700113.1V268 Y272 R314V268-E270 PolarHBondContact O-N 3.01Å; E270-Y272 HydrophobicContact CB-CD1 4.34Å; E270-Y272 HydrophobicContact CB-CE1 4.23Å; E270-Y272 WeakPolarHBondContact O-CD1 3.47Å; E270-Y272 PolarHBondContact O-N 3.35Å; E270-R314 VanDerWaalsContact CD-NH1 3.28Å; E270-R314 IonicContact OE1-CZ 2.56Å; E270-R314 IonicContact OE1-NH1 2.85Å; E270-R314 PolarHBondContact OE1-NH1 3.17Å; E270-R314 IonicContact OE1-NH2 3.07Å; E270-R314 IonicContact OE2-CZ 3.53Å; E270-R314 IonicContact OE2-NH1 3.91Å; E270-R314 PolarHBondContact OE2-NH1 2.99Å; E270-R314 VanDerWaalsContact OE2-NH1 3.12Å; E270-R314 IonicContact OE2-NH2 2.77Å; E270-R314 PolarHBondContact OE2-NH2 3.48Å
271G98.3Very high98.2Very high0 Ų041.3 Ų41.30%021%0.21CC..SBendtrans75.2-11.5-172.800000114.1V268 H269 L283 F284 A296 A298V268-G271 PolarHBondContact O-N 2.86Å; H269-G271 VanDerWaalsContact C-N 3.31Å; G271-L283 CarbonylContact O-C 3.48Å; G271-L283 WeakPolarHBondContact O-CA 3.4Å; G271-F284 PolarHBondContact O-N 3.38Å; G271-A296 VanDerWaalsContact CA-O 3.25Å; G271-A296 WeakPolarHBondContact CA-O 3.33Å; G271-A296 PolarHBondContact N-O 3.07Å; G271-A298 VanDerWaalsContact O-CB 3.31Å; G271-A298 WeakPolarHBondContact O-CB 3.45Å
272Y98.7Very high98.2Very high76 Ų7641.4 Ų41.430%0.29821%0.211SC..EExtended strand (participates in β ladder)trans-140.2150.2169.172.6-78.7000111.8E270 F274 L281 T282 A298 F310 V312E270-Y272 HydrophobicContact CB-CD1 4.34Å; E270-Y272 HydrophobicContact CB-CE1 4.23Å; E270-Y272 WeakPolarHBondContact O-CD1 3.47Å; E270-Y272 PolarHBondContact O-N 3.35Å; Y272-F274 HydrophobicContact CD2-CE2 4.48Å; Y272-F274 HydrophobicContact CE2-CE2 4.4Å; Y272-L281 HydrophobicContact CD2-CD1 4.25Å; Y272-T282 CarbonylContact C-O 3.56Å; Y272-T282 WeakPolarHBondContact CA-O 3.44Å; Y272-A298 HydrophobicContact CD1-CB 3.92Å; Y272-A298 HydrophobicContact CG-CB 4.43Å; Y272-F310 HydrophobicContact CD1-CB 4.39Å; Y272-F310 HydrophobicContact CD1-CD1 4.3Å; Y272-F310 HydrophobicContact CD1-CG 4.37Å; Y272-F310 AromaticContact CD2-CD1 3.97Å; Y272-F310 HydrophobicContact CD2-CD1 3.97Å; Y272-F310 HydrophobicContact CD2-CD2 4.36Å; Y272-F310 AromaticContact CD2-CE1 3.98Å; Y272-F310 HydrophobicContact CD2-CE1 3.98Å; Y272-F310 HydrophobicContact CD2-CE2 4.38Å; Y272-F310 HydrophobicContact CD2-CG 4.17Å; Y272-F310 HydrophobicContact CD2-CZ 4.2Å; Y272-F310 HydrophobicContact CE1-CB 4.31Å; Y272-F310 HydrophobicContact CE1-CG 4.46Å; Y272-F310 HydrophobicContact CE2-CD2 4.16Å; Y272-F310 HydrophobicContact CE2-CE2 4.35Å; Y272-F310 HydrophobicContact CE2-CG 4.25Å; Y272-F310 AromaticContact CG-CD1 3.86Å; Y272-F310 HydrophobicContact CG-CD1 3.86Å; Y272-F310 HydrophobicContact CG-CE1 4.18Å; Y272-F310 HydrophobicContact CG-CG 4.23Å; Y272-V312 HydrophobicContact CD1-CG2 4.22Å; Y272-V312 HydrophobicContact CE1-CG2 3.91Å
273Q98.5Very high98.2Very high112 Ų11241.4 Ų41.452%0.52321%0.211SC..EExtended strand (participates in β ladder)trans-151.6129.7177.3-174.7170.6-3.600111.9V268 T282V268-Q273 HydrophobicContact CB-CB 3.97Å; V268-Q273 HydrophobicContact CG1-CB 3.78Å; V268-Q273 VanDerWaalsContact CG1-OE1 3.25Å; V268-Q273 HydrophobicContact CG2-CB 4.33Å; Q273-T282 PolarHBondContact N-O 2.93Å; Q273-T282 PolarHBondContact O-N 3.49Å
274F98.5Very high98.2Very high77 Ų7741.4 Ų41.434%0.33821%0.211SC..EExtended strand (participates in β ladder)trans-83.7150.6173.1-74-73.1000112.4Y272 N278 L280 L281 F310Y272-F274 HydrophobicContact CD2-CE2 4.48Å; Y272-F274 HydrophobicContact CE2-CE2 4.4Å; F274-N278 WeakPolarHBondContact CB-OD1 3.44Å; F274-N278 HydrophobicContact CD1-CB 3.83Å; F274-N278 HydrophobicContact CE1-CB 4.23Å; F274-N278 HydrophobicContact CG-CB 4.26Å; F274-L280 CarbonylContact C-O 3.49Å; F274-L280 WeakPolarHBondContact CA-O 3.13Å; F274-L281 HydrophobicContact CD1-CB 4.31Å; F274-L281 HydrophobicContact CD1-CD1 4.05Å; F274-L281 HydrophobicContact CE1-CB 4.29Å; F274-L281 HydrophobicContact CE1-CD1 3.94Å; F274-L281 HydrophobicContact CE2-CD1 4.45Å; F274-L281 HydrophobicContact CG-CD1 4.38Å; F274-L281 HydrophobicContact CZ-CD1 4.15Å; F274-F310 HydrophobicContact CE2-CE2 4.13Å; F274-F310 HydrophobicContact CE2-CZ 4.11Å; F274-F310 AromaticContact CZ-CE2 3.92Å; F274-F310 HydrophobicContact CZ-CE2 3.92Å; F274-F310 AromaticContact CZ-CZ 3.66Å; F274-F310 HydrophobicContact CZ-CZ 3.66Å
275F98.6Very high98.2Very high29 Ų2941.4 Ų41.413%0.12721%0.211CC..EExtended strand (participates in β ladder)trans-139.6160178-178.2-99.7000110.8P226 P246 V249 G277 N278 R279 L280P226-F275 HydrophobicContact CB-CD1 3.82Å; P226-F275 HydrophobicContact CB-CD2 4.13Å; P226-F275 HydrophobicContact CB-CE1 3.76Å; P226-F275 HydrophobicContact CB-CE2 4.07Å; P226-F275 HydrophobicContact CB-CG 4.01Å; P226-F275 HydrophobicContact CB-CZ 3.88Å; P246-F275 HydrophobicContact CB-CE1 4.3Å; P246-F275 HydrophobicContact CB-CZ 4.25Å; P246-F275 HydrophobicContact CG-CE1 4.15Å; P246-F275 HydrophobicContact CG-CE2 4.15Å; P246-F275 HydrophobicContact CG-CZ 3.61Å; V249-F275 HydrophobicContact CG2-CD1 3.95Å; V249-F275 HydrophobicContact CG2-CE1 3.73Å; F275-G277 VanDerWaalsContact C-N 3.34Å; F275-G277 PolarHBondContact O-N 3.07Å; F275-N278 PolarHBondContact O-N 3.42Å; F275-N278 VanDerWaalsContact O-N 3.13Å; F275-R279 PolarHBondContact O-N 2.79Å; F275-R279 VanDerWaalsContact O-N 3.12Å; F275-L280 HydrophobicContact CB-CB 4.21Å; F275-L280 HydrophobicContact CB-CD2 3.86Å; F275-L280 HydrophobicContact CD1-CB 4.25Å; F275-L280 HydrophobicContact CD1-CD2 4.45Å; F275-L280 HydrophobicContact CG-CD2 4.48Å; F275-L280 PolarHBondContact N-O 2.65Å; F275-L280 PolarHBondContact O-N 3.18Å
276A98.1Very high98.1Very high14 Ų1441 Ų4112%0.11621%0.209CC..THydrogen-bonded Turntrans50.245.6175.900000114.6P246 V249 R279P246-A276 HydrophobicContact CB-CB 3.89Å; V249-A276 HydrophobicContact CB-CB 3.77Å; V249-A276 HydrophobicContact CG1-CB 3.76Å; V249-A276 HydrophobicContact CG2-CB 4.24Å; A276-R279 HydrophobicContact CB-CB 4.42Å; A276-R279 WeakPolarHBondContact O-CB 3.4Å; A276-R279 WeakPolarHBondContact O-CD 3.47Å; A276-R279 WeakPolarHBondContact O-CG 3.34Å; A276-R279 PolarHBondContact O-NH1 3.34Å
277G96.6Very high98Very high60 Ų6038.4 Ų38.462%0.61920%0.197SC*.THydrogen-bonded Turntrans64.447.2-178.100000112.8F275 R279F275-G277 VanDerWaalsContact C-N 3.34Å; F275-G277 PolarHBondContact O-N 3.07Å; G277-R279 VanDerWaalsContact C-N 3.28Å; G277-R279 PolarHBondContact O-N 2.8Å
278N97.4Very high97.8Very high106 Ų10636.6 Ų36.657%0.56719%0.186SC*.THydrogen-bonded Turntrans63.625.1179.7-52.6-11.7000114.9F274 F275F274-N278 WeakPolarHBondContact CB-OD1 3.44Å; F274-N278 HydrophobicContact CD1-CB 3.83Å; F274-N278 HydrophobicContact CE1-CB 4.23Å; F274-N278 HydrophobicContact CG-CB 4.26Å; F275-N278 PolarHBondContact O-N 3.42Å; F275-N278 VanDerWaalsContact O-N 3.13Å
279R98.2Very high97.6Very high84 Ų8437.3 Ų37.332%0.31719%0.188SC..THydrogen-bonded Turntrans-94.6-13.5176.8-63.3178-175.688-3113.3V249 F261 F275 A276 G277V249-R279 HydrophobicContact CG1-CB 3.83Å; F261-R279 PolarHBondContact N-O 3.44Å; F275-R279 PolarHBondContact O-N 2.79Å; F275-R279 VanDerWaalsContact O-N 3.12Å; A276-R279 HydrophobicContact CB-CB 4.42Å; A276-R279 WeakPolarHBondContact O-CB 3.4Å; A276-R279 WeakPolarHBondContact O-CD 3.47Å; A276-R279 WeakPolarHBondContact O-CG 3.34Å; A276-R279 PolarHBondContact O-NH1 3.34Å; G277-R279 VanDerWaalsContact C-N 3.28Å; G277-R279 PolarHBondContact O-N 2.8Å
280L98.8Very high97.1Very high1 Ų131.6 Ų31.61%0.00516%0.163CC..EExtended strand (participates in β ladder)trans-133.6139.6170.4-178.9151.6000109.1P226 F244 V249 F261 R263 F274 F275P226-L280 HydrophobicContact CB-CD2 4.46Å; P226-L280 HydrophobicContact CG-CD2 4.12Å; F244-L280 HydrophobicContact CE2-CD1 3.78Å; F244-L280 HydrophobicContact CZ-CD1 4.03Å; V249-L280 HydrophobicContact CG1-CB 3.99Å; V249-L280 HydrophobicContact CG2-CD1 4.11Å; F261-L280 HydrophobicContact CB-CB 4.27Å; F261-L280 HydrophobicContact CB-CD1 4.14Å; F261-L280 HydrophobicContact CB-CG 4.12Å; F261-L280 CarbonylContact O-C 3.56Å; F261-L280 VanDerWaalsContact O-CA 3.28Å; F261-L280 WeakPolarHBondContact O-CA 3.49Å; R263-L280 HydrophobicContact CG-CD1 4.38Å; R263-L280 HydrophobicContact CG-CD2 3.93Å; R263-L280 HydrophobicContact CG-CG 4.29Å; F274-L280 CarbonylContact C-O 3.49Å; F274-L280 WeakPolarHBondContact CA-O 3.13Å; F275-L280 HydrophobicContact CB-CB 4.21Å; F275-L280 HydrophobicContact CB-CD2 3.86Å; F275-L280 HydrophobicContact CD1-CB 4.25Å; F275-L280 HydrophobicContact CD1-CD2 4.45Å; F275-L280 HydrophobicContact CG-CD2 4.48Å; F275-L280 PolarHBondContact N-O 2.65Å; F275-L280 PolarHBondContact O-N 3.18Å
281L98.8Very high96.5Very high0 Ų031.4 Ų31.40%016%0.164CC..EExtended strand (participates in β ladder)trans-121.9128.4176.1173.172.3000108.9L260 F261 V262 R263 Y272 F274 L283 M300 F310L260-L281 HydrophobicContact CD1-CB 4.25Å; F261-L281 PolarHBondContact O-N 2.99Å; V262-L281 CarbonylContact C-O 3.11Å; V262-L281 WeakPolarHBondContact CA-O 3.45Å; V262-L281 HydrophobicContact CG1-CD2 4.04Å; V262-L281 HydrophobicContact CG1-CG 4.5Å; V262-L281 HydrophobicContact CG2-CB 4.32Å; V262-L281 HydrophobicContact CG2-CD2 4.2Å; R263-L281 PolarHBondContact N-O 3.38Å; Y272-L281 HydrophobicContact CD2-CD1 4.25Å; F274-L281 HydrophobicContact CD1-CB 4.31Å; F274-L281 HydrophobicContact CD1-CD1 4.05Å; F274-L281 HydrophobicContact CE1-CB 4.29Å; F274-L281 HydrophobicContact CE1-CD1 3.94Å; F274-L281 HydrophobicContact CE2-CD1 4.45Å; F274-L281 HydrophobicContact CG-CD1 4.38Å; F274-L281 HydrophobicContact CZ-CD1 4.15Å; L281-L283 HydrophobicContact CD2-CD1 4.26Å; L281-L283 HydrophobicContact CD2-CD2 4.07Å; L281-L283 HydrophobicContact CD2-CG 3.99Å; L281-L283 HydrophobicContact CG-CD2 4.37Å; L281-L283 HydrophobicContact CG-CG 4.21Å; L281-M300 HydrophobicContact CD2-CB 4.42Å; L281-M300 HydrophobicContact CD2-CG 4.36Å; L281-M300 HydrophobicContact CD2-SD 3.46Å; L281-M300 WeakPolarHBondContact CD2-SD 3.34Å; L281-F310 HydrophobicContact CD1-CE1 3.82Å; L281-F310 HydrophobicContact CD1-CZ 3.97Å; L281-F310 HydrophobicContact CD2-CE1 3.58Å; L281-F310 HydrophobicContact CD2-CZ 3.93Å; L281-F310 HydrophobicContact CG-CE1 4.33Å
282T98.9Very high95.8Very high5 Ų537.3 Ų37.33%0.03119%0.191CC..EExtended strand (participates in β ladder)trans-96.1132.3166.3-60.40000109R263 Q266 V268 Y272 Q273R263-T282 VanDerWaalsContact CD-OG1 3.27Å; R263-T282 WeakPolarHBondContact CD-OG1 3.27Å; R263-T282 CarbonylContact O-C 3.59Å; R263-T282 WeakPolarHBondContact O-CA 3.38Å; Q266-T282 HydrophobicContact CB-CG2 4.18Å; V268-T282 HydrophobicContact CG1-CG2 3.77Å; V268-T282 HydrophobicContact CG2-CG2 4.4Å; Y272-T282 CarbonylContact C-O 3.56Å; Y272-T282 WeakPolarHBondContact CA-O 3.44Å; Q273-T282 PolarHBondContact N-O 2.93Å; Q273-T282 PolarHBondContact O-N 3.49Å
283L98.9Very high95.3Very high0 Ų037.3 Ų37.30%019%0.193CC..EExtended strand (participates in β ladder)trans-119.2138.7172.4-67.9171.2000110.1V74 M103 V262 R263 A264 G271 L281 A298 M300 F310V74-L283 HydrophobicContact CB-CD1 4.22Å; V74-L283 HydrophobicContact CG1-CD1 4.06Å; M103-L283 HydrophobicContact CE-CB 3.7Å; M103-L283 HydrophobicContact CE-CD1 3.74Å; M103-L283 HydrophobicContact CE-CG 4.18Å; V262-L283 HydrophobicContact CG1-CD1 3.67Å; V262-L283 HydrophobicContact CG1-CG 4.22Å; R263-L283 PolarHBondContact O-N 3.45Å; A264-L283 VanDerWaalsContact CA-O 3.24Å; A264-L283 WeakPolarHBondContact CA-O 3.46Å; G271-L283 CarbonylContact O-C 3.48Å; G271-L283 WeakPolarHBondContact O-CA 3.4Å; L281-L283 HydrophobicContact CD2-CD1 4.26Å; L281-L283 HydrophobicContact CD2-CD2 4.07Å; L281-L283 HydrophobicContact CD2-CG 3.99Å; L281-L283 HydrophobicContact CG-CD2 4.37Å; L281-L283 HydrophobicContact CG-CG 4.21Å; L283-A298 HydrophobicContact CD2-CB 4.36Å; L283-M300 HydrophobicContact CD1-CB 3.71Å; L283-M300 HydrophobicContact CD2-CB 4.18Å; L283-F310 HydrophobicContact CD2-CD1 4.28Å; L283-F310 HydrophobicContact CD2-CE1 4.2Å
284F98.8Very high95Very high1 Ų133.4 Ų33.40%0.00418%0.182CC..BIsolated β-bridgetrans-135.6119.7172.8-161.6-88.3000107.8D77 Q266 V267 V268 G271 A286 Y289 G297 A298D77-F284 HydrophobicContact CB-CD2 3.9Å; D77-F284 HydrophobicContact CB-CE2 3.57Å; D77-F284 HydrophobicContact CB-CZ 3.9Å; D77-F284 WeakPolarHBondContact OD2-CE2 3.43Å; Q266-F284 WeakPolarHBondContact O-CD2 3.49Å; V267-F284 HydrophobicContact CB-CE2 4.43Å; V267-F284 HydrophobicContact CG2-CD2 4.27Å; V267-F284 HydrophobicContact CG2-CE1 4.12Å; V267-F284 HydrophobicContact CG2-CE2 3.69Å; V267-F284 HydrophobicContact CG2-CZ 3.63Å; V268-F284 HydrophobicContact CG2-CB 4.18Å; G271-F284 PolarHBondContact O-N 3.38Å; F284-A286 HydrophobicContact CD1-CB 4.1Å; F284-A286 WeakPolarHBondContact CD1-O 3.43Å; F284-A286 HydrophobicContact CE1-CB 3.45Å; F284-A286 VanDerWaalsContact CE1-CB 3.45Å; F284-A286 WeakPolarHBondContact CE1-O 3.32Å; F284-A286 HydrophobicContact CZ-CB 4.15Å; F284-Y289 AromaticContact CE1-CD2 3.95Å; F284-Y289 HydrophobicContact CE1-CD2 3.95Å; F284-Y289 AromaticContact CE1-CG 3.88Å; F284-Y289 HydrophobicContact CE1-CG 3.88Å; F284-Y289 HydrophobicContact CZ-CD1 4.14Å; F284-Y289 AromaticContact CZ-CD2 3.63Å; F284-Y289 HydrophobicContact CZ-CD2 3.63Å; F284-Y289 HydrophobicContact CZ-CE1 4.45Å; F284-Y289 HydrophobicContact CZ-CE2 4.01Å; F284-Y289 AromaticContact CZ-CG 3.67Å; F284-Y289 HydrophobicContact CZ-CG 3.67Å; F284-G297 CarbonylContact O-C 3.58Å; F284-G297 WeakPolarHBondContact O-CA 3.14Å; F284-A298 PolarHBondContact O-N 2.95Å
285S98.7Very high94.9Very high0 Ų029.8 Ų29.80%017%0.167CC..  trans-102.6-1.6-170.6-59.50000113.6A75 G76 D77 W88 P287 A298A75-S285 WeakPolarHBondContact CA-OG 3.43Å; G76-S285 PolarHBondContact N-OG 3Å; D77-S285 CarbonylContact O-C 3.59Å; D77-S285 VanDerWaalsContact O-C 3.26Å; D77-S285 WeakPolarHBondContact O-CA 3.43Å; D77-S285 WeakPolarHBondContact O-CB 3.25Å; D77-S285 PolarHBondContact O-N 3.09Å; W88-S285 PolarHBondContact NE1-O 3.18Å; S285-P287 WeakPolarHBondContact O-CD 2.98Å; S285-A298 PolarHBondContact OG-O 2.77Å
286A97.2Very high94.8Very high1 Ų128.5 Ų28.51%0.00816%0.161CC..  trans-93.196176.400000110.9D77 Q81 F284 Y289 N295D77-A286 PolarHBondContact O-N 3.5Å; Q81-A286 HydrophobicContact CG-CB 4.49Å; Q81-A286 VanDerWaalsContact NE2-CA 3.27Å; F284-A286 HydrophobicContact CD1-CB 4.1Å; F284-A286 WeakPolarHBondContact CD1-O 3.43Å; F284-A286 HydrophobicContact CE1-CB 3.45Å; F284-A286 VanDerWaalsContact CE1-CB 3.45Å; F284-A286 WeakPolarHBondContact CE1-O 3.32Å; F284-A286 HydrophobicContact CZ-CB 4.15Å; A286-Y289 HydrophobicContact CB-CD2 4.38Å; A286-N295 PolarHBondContact O-ND2 2.92Å
287P95.6Very high94.8Very high0 Ų027.8 Ų27.80%016%0.156CC..THydrogen-bonded Turntrans-64.6148.6176.932.2-40.7000110.4Q81 D84 S285 Y289 N295 L313 K320Q81-P287 PolarHBondContact NE2-O 3.19Å; Q81-P287 PolarHBondContact OE1-O 3.5Å; D84-P287 HydrophobicContact CB-CG 4.05Å; D84-P287 VanDerWaalsContact CG-CG 3.47Å; S285-P287 WeakPolarHBondContact O-CD 2.98Å; P287-Y289 VanDerWaalsContact C-N 3.26Å; P287-Y289 PolarHBondContact O-N 2.9Å; P287-N295 CarbonylContact C-O 3.58Å; P287-N295 WeakPolarHBondContact CA-O 3.19Å; P287-L313 HydrophobicContact CB-CD2 4.18Å; P287-L313 HydrophobicContact CG-CD2 3.61Å; P287-K320 PolarHBondContact O-NZ 3.43Å
288N94Very high94.9Very high9 Ų925 Ų255%0.04813%0.126CC..THydrogen-bonded Turntrans41.955.8-177-167.434.4000111.8C290 N291 G294 N295 P315 K320N288-C290 PolarHBondContact O-N 3.35Å; N288-N291 WeakPolarHBondContact ND2-CA 3.37Å; N288-N291 WeakPolarHBondContact O-CA 3.21Å; N288-N291 PolarHBondContact O-N 3.33Å; N288-G294 WeakPolarHBondContact OD1-CA 3.48Å; N288-G294 PolarHBondContact OD1-N 3.49Å; N288-N295 WeakPolarHBondContact CA-OD1 3.45Å; N288-N295 PolarHBondContact N-O 2.68Å; N288-N295 PolarHBondContact N-OD1 2.96Å; N288-P315 HydrophobicContact CB-CB 3.95Å; N288-P315 HydrophobicContact CB-CG 4.06Å; N288-K320 HydrophobicContact CB-CD 3.99Å
289Y92.4Very high95Very high19 Ų1919.9 Ų19.98%0.07510%0.099CC..G310 helixtrans-49138.8-177.4-178.7-125.2000110.7H79 R109 V267 F284 A286 P287 N291 E292 F293 N295H79-Y289 HydrophobicContact CB-CD2 4.45Å; H79-Y289 HydrophobicContact CB-CE2 3.78Å; H79-Y289 AromaticContact CD2-CE2 3.19Å; H79-Y289 WeakPolarHBondContact CD2-CE2 3.39Å; H79-Y289 AromaticContact CD2-CZ 3.64Å; H79-Y289 PolarHBondContact CD2-OH 3.49Å; H79-Y289 AromaticContact CG-CE2 3.65Å; H79-Y289 AromaticContact NE2-CE2 3.89Å; H79-Y289 AromaticContact NE2-CZ 3.84Å; H79-Y289 PolarHBondContact NE2-OH 3.14Å; H79-Y289 VanDerWaalsContact NE2-OH 3.14Å; R109-Y289 HydrophobicContact CB-CE2 4.19Å; R109-Y289 WeakPolarHBondContact CG-OH 3.42Å; V267-Y289 HydrophobicContact CG2-CD1 3.42Å; V267-Y289 VanDerWaalsContact CG2-CD1 3.42Å; V267-Y289 HydrophobicContact CG2-CE1 3.93Å; V267-Y289 HydrophobicContact CG2-CG 4.03Å; F284-Y289 AromaticContact CE1-CD2 3.95Å; F284-Y289 HydrophobicContact CE1-CD2 3.95Å; F284-Y289 AromaticContact CE1-CG 3.88Å; F284-Y289 HydrophobicContact CE1-CG 3.88Å; F284-Y289 HydrophobicContact CZ-CD1 4.14Å; F284-Y289 AromaticContact CZ-CD2 3.63Å; F284-Y289 HydrophobicContact CZ-CD2 3.63Å; F284-Y289 HydrophobicContact CZ-CE1 4.45Å; F284-Y289 HydrophobicContact CZ-CE2 4.01Å; F284-Y289 AromaticContact CZ-CG 3.67Å; F284-Y289 HydrophobicContact CZ-CG 3.67Å; A286-Y289 HydrophobicContact CB-CD2 4.38Å; P287-Y289 VanDerWaalsContact C-N 3.26Å; P287-Y289 PolarHBondContact O-N 2.9Å; Y289-N291 PolarHBondContact O-N 3.17Å; Y289-E292 PolarHBondContact O-N 3.3Å; Y289-F293 AromaticContact CD1-CD2 3.73Å; Y289-F293 HydrophobicContact CD1-CD2 3.73Å; Y289-F293 AromaticContact CD1-CE2 3.71Å; Y289-F293 HydrophobicContact CD1-CE2 3.71Å; Y289-F293 HydrophobicContact CD1-CG 4.44Å; Y289-F293 HydrophobicContact CD1-CZ 4.42Å; Y289-F293 HydrophobicContact CE1-CE2 4.33Å; Y289-F293 HydrophobicContact CG-CD2 4.32Å; Y289-F293 VanDerWaalsContact O-CD2 3.25Å; Y289-F293 WeakPolarHBondContact O-CD2 3.02Å; Y289-F293 PolarHBondContact O-N 2.92Å; Y289-N295 WeakPolarHBondContact CB-OD1 3.37Å; Y289-N295 PolarHBondContact N-OD1 2.71Å
290C86.8Confident95Very high8 Ų815.9 Ų15.95%0.0548%0.084CC..G310 helixtrans48.715.4-176.6-59.90000115.4N288 E292 F293N288-C290 PolarHBondContact O-N 3.35Å; C290-E292 PolarHBondContact O-N 2.99Å; C290-F293 HydrophobicContact CB-CE2 4.39Å
291N84Confident95Very high57 Ų5717 Ų1731%0.3059%0.091SC..G310 helixtrans57.820.9-168.4-53.5-65.7000115.9N288 Y289 K320 L324N288-N291 WeakPolarHBondContact ND2-CA 3.37Å; N288-N291 WeakPolarHBondContact O-CA 3.21Å; N288-N291 PolarHBondContact O-N 3.33Å; Y289-N291 PolarHBondContact O-N 3.17Å; N291-K320 WeakPolarHBondContact OD1-CD 3.48Å; N291-L324 HydrophobicContact CB-CD2 4.19Å; N291-L324 WeakPolarHBondContact ND2-CD2 3.33Å
292E85.2Confident95Very high125 Ų12517 Ų1758%0.5849%0.091SC*.THydrogen-bonded Turntrans-118.6-31-172-73.1174.9-178.100113.5Y289 C290Y289-E292 PolarHBondContact O-N 3.3Å; C290-E292 PolarHBondContact O-N 2.99Å
293F88Confident95Very high76 Ų7618.3 Ų18.333%0.33310%0.1SC..SBendtrans-91.7-21.9-164.7-69.7-97.6000114.1V267 Y289 C290 N295 F332V267-F293 HydrophobicContact CB-CD1 4.45Å; V267-F293 HydrophobicContact CG1-CB 4.11Å; V267-F293 HydrophobicContact CG1-CD1 4.07Å; V267-F293 HydrophobicContact CG1-CG 4.14Å; Y289-F293 AromaticContact CD1-CD2 3.73Å; Y289-F293 HydrophobicContact CD1-CD2 3.73Å; Y289-F293 AromaticContact CD1-CE2 3.71Å; Y289-F293 HydrophobicContact CD1-CE2 3.71Å; Y289-F293 HydrophobicContact CD1-CG 4.44Å; Y289-F293 HydrophobicContact CD1-CZ 4.42Å; Y289-F293 HydrophobicContact CE1-CE2 4.33Å; Y289-F293 HydrophobicContact CG-CD2 4.32Å; Y289-F293 VanDerWaalsContact O-CD2 3.25Å; Y289-F293 WeakPolarHBondContact O-CD2 3.02Å; Y289-F293 PolarHBondContact O-N 2.92Å; C290-F293 HydrophobicContact CB-CE2 4.39Å; F293-N295 HydrophobicContact CB-CB 4.47Å; F293-N295 WeakPolarHBondContact CB-OD1 3.41Å; F293-N295 PolarHBondContact O-N 2.89Å; F293-F332 HydrophobicContact CE1-CE2 4.1Å; F293-F332 AromaticContact CE1-CZ 3.61Å; F293-F332 HydrophobicContact CE1-CZ 3.61Å; F293-F332 HydrophobicContact CE2-CZ 4.43Å; F293-F332 HydrophobicContact CZ-CE1 4.43Å; F293-F332 AromaticContact CZ-CE2 3.63Å; F293-F332 HydrophobicContact CZ-CE2 3.63Å; F293-F332 AromaticContact CZ-CZ 3.28Å; F293-F332 HydrophobicContact CZ-CZ 3.28Å
294G91.7Very high94.9Very high29 Ų2925.5 Ų25.530%0.29913%0.134SC..  trans6211-175.400000115N288N288-G294 WeakPolarHBondContact OD1-CA 3.48Å; N288-G294 PolarHBondContact OD1-N 3.49Å
295N96.7Very high94.8Very high2 Ų230.9 Ų30.91%0.01117%0.167CC..PPolyproline II helixtrans-67.5152.4179.267.7-68.3000111.9V267 H269 A286 P287 N288 Y289 F293 P315V267-N295 HydrophobicContact CG1-CB 3.81Å; H269-N295 CarbonylContact O-C 3.58Å; H269-N295 WeakPolarHBondContact O-CA 3.33Å; A286-N295 PolarHBondContact O-ND2 2.92Å; P287-N295 CarbonylContact C-O 3.58Å; P287-N295 WeakPolarHBondContact CA-O 3.19Å; N288-N295 WeakPolarHBondContact CA-OD1 3.45Å; N288-N295 PolarHBondContact N-O 2.68Å; N288-N295 PolarHBondContact N-OD1 2.96Å; Y289-N295 WeakPolarHBondContact CB-OD1 3.37Å; Y289-N295 PolarHBondContact N-OD1 2.71Å; F293-N295 HydrophobicContact CB-CB 4.47Å; F293-N295 WeakPolarHBondContact CB-OD1 3.41Å; F293-N295 PolarHBondContact O-N 2.89Å; N295-P315 WeakPolarHBondContact O-CG 3.35Å
296A97.2Very high94.8Very high1 Ų133.2 Ų33.21%0.00818%0.179CC..PPolyproline II helixtrans-75.7163.2162.300000111H269 G271 V312H269-A296 PolarHBondContact O-N 2.94Å; G271-A296 VanDerWaalsContact CA-O 3.25Å; G271-A296 WeakPolarHBondContact CA-O 3.33Å; G271-A296 PolarHBondContact N-O 3.07Å; A296-V312 HydrophobicContact CB-CG1 3.71Å
297G98.2Very high94.8Very high0 Ų039 Ų390%021%0.205CC..EExtended strand (participates in β ladder)trans-98.5150161.500000110.1W88 F284 V312 L313W88-G297 VanDerWaalsContact CZ2-C 3.46Å; F284-G297 CarbonylContact O-C 3.58Å; F284-G297 WeakPolarHBondContact O-CA 3.14Å; G297-V312 CarbonylContact O-C 3.59Å; G297-V312 WeakPolarHBondContact O-CA 3.46Å; G297-L313 PolarHBondContact N-O 2.83Å; G297-L313 PolarHBondContact O-N 3.04Å
298A98.6Very high94.9Very high0 Ų041.1 Ų41.10%022%0.22CC..EExtended strand (participates in β ladder)trans-131.2154.5169.200000112.8G271 Y272 L283 F284 S285 E311 V312G271-A298 VanDerWaalsContact O-CB 3.31Å; G271-A298 WeakPolarHBondContact O-CB 3.45Å; Y272-A298 HydrophobicContact CD1-CB 3.92Å; Y272-A298 HydrophobicContact CG-CB 4.43Å; L283-A298 HydrophobicContact CD2-CB 4.36Å; F284-A298 PolarHBondContact O-N 2.95Å; S285-A298 PolarHBondContact OG-O 2.77Å; A298-E311 CarbonylContact C-O 3.54Å; A298-E311 VanDerWaalsContact CA-O 3.23Å; A298-E311 WeakPolarHBondContact CA-O 3.45Å; A298-V312 HydrophobicContact CB-CG2 4.42Å
299M98.6Very high95.1Very high0 Ų043.6 Ų43.60%024%0.235CC..EExtended strand (participates in β ladder)trans-125.9139162.4-72-171.2178.100109.1V74 A75 W88 Y100 F102 F310 E311V74-M299 CarbonylContact O-C 3.6Å; V74-M299 WeakPolarHBondContact O-CA 3.47Å; A75-M299 HydrophobicContact CB-CE 3.63Å; A75-M299 HydrophobicContact CB-CG 3.95Å; A75-M299 HydrophobicContact CB-SD 4.14Å; W88-M299 HydrophobicContact CB-CE 3.54Å; W88-M299 HydrophobicContact CB-SD 4.36Å; W88-M299 HydrophobicContact CD2-CE 3.64Å; W88-M299 HydrophobicContact CD2-CG 4.04Å; W88-M299 HydrophobicContact CD2-SD 3.95Å; W88-M299 HydrophobicContact CE3-CB 4.48Å; W88-M299 HydrophobicContact CE3-CE 4.15Å; W88-M299 HydrophobicContact CE3-CG 3.9Å; W88-M299 HydrophobicContact CE3-SD 3.82Å; W88-M299 HydrophobicContact CG-CE 3.36Å; W88-M299 HydrophobicContact CG-SD 4.22Å; W88-M299 HydrophobicContact CH2-CB 4.4Å; W88-M299 HydrophobicContact CH2-CG 4.16Å; W88-M299 HydrophobicContact CZ2-CG 4.27Å; W88-M299 HydrophobicContact CZ3-CB 4.16Å; W88-M299 HydrophobicContact CZ3-CG 3.97Å; W88-M299 HydrophobicContact CZ3-SD 4.43Å; Y100-M299 HydrophobicContact CD1-SD 4.43Å; Y100-M299 HydrophobicContact CE1-SD 3.97Å; F102-M299 HydrophobicContact CE1-CE 4.21Å; M299-F310 WeakPolarHBondContact O-CA 3.46Å; M299-E311 PolarHBondContact N-O 3.48Å; M299-E311 PolarHBondContact O-N 3.07Å
300M98.7Very high95.4Very high0 Ų045.1 Ų45.10%024%0.242CC..EExtended strand (participates in β ladder)trans-91.2129.3173.2-179.5-175.667.400109.5R73 V74 V262 L281 L283 V302 C308 T309 F310R73-M300 CarbonylContact C-O 3.58Å; R73-M300 WeakPolarHBondContact CA-O 3.41Å; V74-M300 HydrophobicContact CB-CB 4.37Å; V74-M300 HydrophobicContact CB-CE 3.91Å; V74-M300 HydrophobicContact CG1-CE 4.47Å; V74-M300 HydrophobicContact CG2-CE 3.63Å; V74-M300 PolarHBondContact N-O 3.22Å; V74-M300 PolarHBondContact O-N 3.06Å; V262-M300 HydrophobicContact CG1-CE 4.14Å; V262-M300 HydrophobicContact CG2-CE 3.82Å; V262-M300 HydrophobicContact CG2-SD 4.26Å; L281-M300 HydrophobicContact CD2-CB 4.42Å; L281-M300 HydrophobicContact CD2-CG 4.36Å; L281-M300 HydrophobicContact CD2-SD 3.46Å; L281-M300 WeakPolarHBondContact CD2-SD 3.34Å; L283-M300 HydrophobicContact CD1-CB 3.71Å; L283-M300 HydrophobicContact CD2-CB 4.18Å; M300-V302 HydrophobicContact CE-CG2 3.55Å; M300-V302 HydrophobicContact CG-CG2 4.43Å; M300-V302 HydrophobicContact SD-CG2 4.36Å; M300-C308 HydrophobicContact CG-CB 4.16Å; M300-C308 HydrophobicContact SD-CB 3.99Å; M300-T309 CarbonylContact C-O 3.47Å; M300-T309 WeakPolarHBondContact CA-O 3.49Å; M300-F310 HydrophobicContact CB-CD1 4.17Å; M300-F310 HydrophobicContact CB-CE1 4Å; M300-F310 HydrophobicContact CG-CD1 4.43Å; M300-F310 HydrophobicContact CG-CE1 3.98Å; M300-F310 HydrophobicContact CG-CZ 4.46Å; M300-F310 HydrophobicContact SD-CE1 4.48Å
301T98.6Very high95.9Very high25 Ų2547.9 Ų47.915%0.15325%0.254CS..EExtended strand (participates in β ladder)trans-98.2127.8169.4-56.70000108.6R73 C308 T309R73-T301 HydrophobicContact CG-CG2 4.45Å; R73-T301 PolarHBondContact NH1-OG1 3.14Å; T301-C308 CarbonylContact O-C 3.42Å; T301-C308 VanDerWaalsContact O-CA 3.31Å; T301-C308 WeakPolarHBondContact O-CA 3.48Å; T301-T309 PolarHBondContact N-O 3.14Å; T301-T309 PolarHBondContact O-N 3.27Å
302V98.7Very high96.6Very high0 Ų047.6 Ų47.60%025%0.254CS..EExtended strand (participates in β ladder)trans-106.2116.5172.2-172.20000107.8P70 P71 L72 V74 I182 I186 M300 M306 E307P70-V302 HydrophobicContact CB-CG1 4.25Å; P71-V302 VanDerWaalsContact CA-O 3.24Å; P71-V302 WeakPolarHBondContact CA-O 3.46Å; L72-V302 HydrophobicContact CD2-CB 3.88Å; L72-V302 HydrophobicContact CD2-CG2 4.33Å; L72-V302 PolarHBondContact N-O 3.24Å; L72-V302 VanDerWaalsContact N-O 3.12Å; L72-V302 PolarHBondContact O-N 2.87Å; V74-V302 HydrophobicContact CG2-CG2 4.33Å; I182-V302 HydrophobicContact CD1-CG2 4.35Å; I182-V302 HydrophobicContact CG2-CG1 4.42Å; I186-V302 HydrophobicContact CD1-CG1 4.3Å; I186-V302 HydrophobicContact CD1-CG2 4.34Å; M300-V302 HydrophobicContact CE-CG2 3.55Å; M300-V302 HydrophobicContact CG-CG2 4.43Å; M300-V302 HydrophobicContact SD-CG2 4.36Å; V302-M306 HydrophobicContact CG1-SD 3.88Å; V302-E307 WeakPolarHBondContact CA-O 3.46Å
303S98.1Very high97Very high32 Ų3242.4 Ų42.422%0.22423%0.23CC..  trans-75.9168.9178.981.10000111.9P70 T305 M306 E307P70-S303 WeakPolarHBondContact CB-O 3.36Å; S303-T305 PolarHBondContact O-N 3.03Å; S303-T305 VanDerWaalsContact O-N 3.15Å; S303-T305 PolarHBondContact OG-N 3.16Å; S303-T305 PolarHBondContact OG-OG1 3.22Å; S303-M306 PolarHBondContact O-N 2.91Å; S303-E307 PolarHBondContact N-O 2.92Å; S303-E307 WeakPolarHBondContact OG-CB 3.45Å; S303-E307 PolarHBondContact OG-N 3.44Å; S303-E307 VanDerWaalsContact OG-N 3.09Å
304E97.3Very high97.3Very high151 Ų15144.9 Ų44.971%0.70624%0.238SC*.THydrogen-bonded Turntrans-57-25.3173.4-70.8-178.4179.700113.6P71 M306P71-E304 HydrophobicContact CB-CG 4.22Å; P71-E304 HydrophobicContact CG-CG 3.99Å; E304-M306 VanDerWaalsContact C-N 3.34Å
305T97.3Very high97.1Very high114 Ų11444.6 Ų44.670%0.69923%0.23SC*.THydrogen-bonded Turntrans-96.317.7177.261.10000112.7S303 E307S303-T305 PolarHBondContact O-N 3.03Å; S303-T305 VanDerWaalsContact O-N 3.15Å; S303-T305 PolarHBondContact OG-N 3.16Å; S303-T305 PolarHBondContact OG-OG1 3.22Å; T305-E307 PolarHBondContact O-N 3.35Å
306M97.3Very high96.4Very high49 Ų4946.8 Ų46.824%0.24124%0.242CC..  trans62.418-179-61.7-67.1-75.900114.8P70 I182 D183 I186 V302 S303 E304 C308P70-M306 HydrophobicContact CG-SD 3.93Å; I182-M306 HydrophobicContact CG2-SD 4.47Å; D183-M306 HydrophobicContact CB-CE 3.94Å; D183-M306 HydrophobicContact CB-SD 3.68Å; I186-M306 HydrophobicContact CD1-CE 3.73Å; I186-M306 HydrophobicContact CG1-CE 3.8Å; V302-M306 HydrophobicContact CG1-SD 3.88Å; S303-M306 PolarHBondContact O-N 2.91Å; E304-M306 VanDerWaalsContact C-N 3.34Å; M306-C308 PolarHBondContact O-N 3.45Å
307E97.5Very high95.3Very high123 Ų12351.7 Ų51.758%0.57526%0.264SS*.  trans-72.9129.7171.3-171.7-179175.900109.6V302 S303 T305 T309V302-E307 WeakPolarHBondContact CA-O 3.46Å; S303-E307 PolarHBondContact N-O 2.92Å; S303-E307 WeakPolarHBondContact OG-CB 3.45Å; S303-E307 PolarHBondContact OG-N 3.44Å; S303-E307 VanDerWaalsContact OG-N 3.09Å; T305-E307 PolarHBondContact O-N 3.35Å; E307-T309 HydrophobicContact CG-CG2 4.45Å
308C98.3Very high93.9Very high44 Ų4459 Ų5930%0.29730%0.298SS..EExtended strand (participates in β ladder)trans-103117.9179.6-640000110.4M300 T301 M306M300-C308 HydrophobicContact CG-CB 4.16Å; M300-C308 HydrophobicContact SD-CB 3.99Å; T301-C308 CarbonylContact O-C 3.42Å; T301-C308 VanDerWaalsContact O-CA 3.31Å; T301-C308 WeakPolarHBondContact O-CA 3.48Å; M306-C308 PolarHBondContact O-N 3.45Å
309T98.2Very high92.3Very high60 Ų6062 Ų6237%0.36831%0.314SS..EExtended strand (participates in β ladder)trans-119.3165.2173.462.40000110.7M300 T301 E307M300-T309 CarbonylContact C-O 3.47Å; M300-T309 WeakPolarHBondContact CA-O 3.49Å; T301-T309 PolarHBondContact N-O 3.14Å; T301-T309 PolarHBondContact O-N 3.27Å; E307-T309 HydrophobicContact CG-CG2 4.45Å
310F98.2Very high90.6Very high52 Ų5263.3 Ų63.323%0.22832%0.319CS..EExtended strand (participates in β ladder)trans-125.9127.2-173.6-59.1-84000111.1Y272 F274 L281 L283 M299 M300Y272-F310 HydrophobicContact CD1-CB 4.39Å; Y272-F310 HydrophobicContact CD1-CD1 4.3Å; Y272-F310 HydrophobicContact CD1-CG 4.37Å; Y272-F310 AromaticContact CD2-CD1 3.97Å; Y272-F310 HydrophobicContact CD2-CD1 3.97Å; Y272-F310 HydrophobicContact CD2-CD2 4.36Å; Y272-F310 AromaticContact CD2-CE1 3.98Å; Y272-F310 HydrophobicContact CD2-CE1 3.98Å; Y272-F310 HydrophobicContact CD2-CE2 4.38Å; Y272-F310 HydrophobicContact CD2-CG 4.17Å; Y272-F310 HydrophobicContact CD2-CZ 4.2Å; Y272-F310 HydrophobicContact CE1-CB 4.31Å; Y272-F310 HydrophobicContact CE1-CG 4.46Å; Y272-F310 HydrophobicContact CE2-CD2 4.16Å; Y272-F310 HydrophobicContact CE2-CE2 4.35Å; Y272-F310 HydrophobicContact CE2-CG 4.25Å; Y272-F310 AromaticContact CG-CD1 3.86Å; Y272-F310 HydrophobicContact CG-CD1 3.86Å; Y272-F310 HydrophobicContact CG-CE1 4.18Å; Y272-F310 HydrophobicContact CG-CG 4.23Å; F274-F310 HydrophobicContact CE2-CE2 4.13Å; F274-F310 HydrophobicContact CE2-CZ 4.11Å; F274-F310 AromaticContact CZ-CE2 3.92Å; F274-F310 HydrophobicContact CZ-CE2 3.92Å; F274-F310 AromaticContact CZ-CZ 3.66Å; F274-F310 HydrophobicContact CZ-CZ 3.66Å; L281-F310 HydrophobicContact CD1-CE1 3.82Å; L281-F310 HydrophobicContact CD1-CZ 3.97Å; L281-F310 HydrophobicContact CD2-CE1 3.58Å; L281-F310 HydrophobicContact CD2-CZ 3.93Å; L281-F310 HydrophobicContact CG-CE1 4.33Å; L283-F310 HydrophobicContact CD2-CD1 4.28Å; L283-F310 HydrophobicContact CD2-CE1 4.2Å; M299-F310 WeakPolarHBondContact O-CA 3.46Å; M300-F310 HydrophobicContact CB-CD1 4.17Å; M300-F310 HydrophobicContact CB-CE1 4Å; M300-F310 HydrophobicContact CG-CD1 4.43Å; M300-F310 HydrophobicContact CG-CE1 3.98Å; M300-F310 HydrophobicContact CG-CZ 4.46Å; M300-F310 HydrophobicContact SD-CE1 4.48Å
311E98Very high88.4Confident65 Ų6569.2 Ų69.230%0.30435%0.35SS..EExtended strand (participates in β ladder)trans-96.2131.8165.2-63.8-63.216500108.2W88 H91 A298 M299W88-E311 WeakPolarHBondContact CH2-O 3.49Å; W88-E311 HydrophobicContact CZ3-CB 4.03Å; H91-E311 IonicContact CD2-OE2 3.53Å; H91-E311 IonicContact CE1-OE2 3.35Å; H91-E311 IonicContact NE2-OE2 3.5Å; H91-E311 PolarHBondContact NE2-OE2 2.87Å; A298-E311 CarbonylContact C-O 3.54Å; A298-E311 VanDerWaalsContact CA-O 3.23Å; A298-E311 WeakPolarHBondContact CA-O 3.45Å; M299-E311 PolarHBondContact N-O 3.48Å; M299-E311 PolarHBondContact O-N 3.07Å
312V97.6Very high85.9Confident51 Ų5173.4 Ų73.431%0.30937%0.372SS..EExtended strand (participates in β ladder)trans-119.8126.6-177.11790000109.8Y272 A296 G297 A298Y272-V312 HydrophobicContact CD1-CG2 4.22Å; Y272-V312 HydrophobicContact CE1-CG2 3.91Å; A296-V312 HydrophobicContact CB-CG1 3.71Å; G297-V312 CarbonylContact O-C 3.59Å; G297-V312 WeakPolarHBondContact O-CA 3.46Å; A298-V312 HydrophobicContact CB-CG2 4.42Å
313L95.2Very high83.6Confident16 Ų1677.3 Ų77.38%0.08439%0.387CS..EExtended strand (participates in β ladder)trans-110.3108.6177-166123.3000109.1R87 W88 P287 G297R87-L313 HydrophobicContact CB-CD1 3.92Å; R87-L313 VanDerWaalsContact CZ-CD2 3.41Å; W88-L313 HydrophobicContact CD2-CB 4.41Å; W88-L313 HydrophobicContact CD2-CD1 4.33Å; W88-L313 HydrophobicContact CE3-CB 4.4Å; W88-L313 HydrophobicContact CE3-CD1 4.37Å; W88-L313 HydrophobicContact CH2-CB 3.44Å; W88-L313 VanDerWaalsContact CH2-CB 3.44Å; W88-L313 HydrophobicContact CZ2-CB 3.44Å; W88-L313 VanDerWaalsContact CZ2-CB 3.44Å; W88-L313 HydrophobicContact CZ3-CB 3.95Å; P287-L313 HydrophobicContact CB-CD2 4.18Å; P287-L313 HydrophobicContact CG-CD2 3.61Å; G297-L313 PolarHBondContact N-O 2.83Å; G297-L313 PolarHBondContact O-N 3.04Å
314R93.2Very high81.1Confident128 Ų12881.1 Ų81.148%0.48340%0.404SS..  trans-72.9153.3178.7-64.5-66.2-175.6178.9-6.4111.3R87 E270 D316R87-R314 PolarHBondContact NH2-O 2.94Å; R87-R314 VanDerWaalsContact NH2-O 3.14Å; E270-R314 VanDerWaalsContact CD-NH1 3.28Å; E270-R314 IonicContact OE1-CZ 2.56Å; E270-R314 IonicContact OE1-NH1 2.85Å; E270-R314 PolarHBondContact OE1-NH1 3.17Å; E270-R314 IonicContact OE1-NH2 3.07Å; E270-R314 IonicContact OE2-CZ 3.53Å; E270-R314 IonicContact OE2-NH1 3.91Å; E270-R314 PolarHBondContact OE2-NH1 2.99Å; E270-R314 VanDerWaalsContact OE2-NH1 3.12Å; E270-R314 IonicContact OE2-NH2 2.77Å; E270-R314 PolarHBondContact OE2-NH2 3.48Å; R314-D316 PolarHBondContact O-N 3.34Å
315P87.2Confident78.6Confident23 Ų2378.1 Ų78.115%0.14940%0.398CS..  trans-47.9130.7169.3-30.437.8000111.8N288 N295 F317N288-P315 HydrophobicContact CB-CB 3.95Å; N288-P315 HydrophobicContact CB-CG 4.06Å; N295-P315 WeakPolarHBondContact O-CG 3.35Å; P315-F317 HydrophobicContact CB-CD1 4.38Å; P315-F317 HydrophobicContact CB-CD2 4.03Å; P315-F317 HydrophobicContact CB-CE1 3.98Å; P315-F317 HydrophobicContact CB-CE2 3.61Å; P315-F317 HydrophobicContact CB-CG 4.4Å; P315-F317 HydrophobicContact CB-CZ 3.58Å; P315-F317 HydrophobicContact CG-CE2 4.25Å; P315-F317 HydrophobicContact CG-CZ 4.01Å
316D81.7Confident75.8Confident49 Ų4982.7 Ų82.726%0.26240%0.404SS..  trans-98.692163.5-170.2-30.5000107.5R314 E318 L319 K320R314-D316 PolarHBondContact O-N 3.34Å; D316-E318 PolarHBondContact O-N 3.5Å; D316-E318 PolarHBondContact OD1-N 2.74Å; D316-E318 VanDerWaalsContact OD1-N 3.13Å; D316-L319 HydrophobicContact CB-CB 4.01Å; D316-L319 HydrophobicContact CB-CD1 4.02Å; D316-L319 HydrophobicContact CB-CG 4.33Å; D316-L319 PolarHBondContact O-N 2.7Å; D316-L319 PolarHBondContact OD1-N 2.73Å; D316-L319 WeakPolarHBondContact OD2-CD1 3.27Å; D316-L319 WeakPolarHBondContact OD2-CG 3.44Å; D316-K320 WeakPolarHBondContact O-CG 3.41Å; D316-K320 PolarHBondContact O-N 2.93Å
317F75.1Confident73.4Confident103 Ų10383.1 Ų83.145%0.45241%0.405SS..Hα-helixtrans-67-28.4-179.1-65.9-72.4000111.8P315 K320 L321P315-F317 HydrophobicContact CB-CD1 4.38Å; P315-F317 HydrophobicContact CB-CD2 4.03Å; P315-F317 HydrophobicContact CB-CE1 3.98Å; P315-F317 HydrophobicContact CB-CE2 3.61Å; P315-F317 HydrophobicContact CB-CG 4.4Å; P315-F317 HydrophobicContact CB-CZ 3.58Å; P315-F317 HydrophobicContact CG-CE2 4.25Å; P315-F317 HydrophobicContact CG-CZ 4.01Å; F317-K320 PolarHBondContact O-N 3.42Å; F317-L321 HydrophobicContact CB-CD1 4.06Å; F317-L321 WeakPolarHBondContact O-CB 3.47Å; F317-L321 WeakPolarHBondContact O-CD1 3.39Å; F317-L321 VanDerWaalsContact O-CG 3.28Å; F317-L321 WeakPolarHBondContact O-CG 3.36Å; F317-L321 PolarHBondContact O-N 3.04Å
318E68.6Low70.6Confident155 Ų15582 Ų8272%0.72441%0.409SS*.Hα-helixtrans-70.6-41.9177.5-67.4-171.1172.100111.2D316 K320 N322D316-E318 PolarHBondContact O-N 3.5Å; D316-E318 PolarHBondContact OD1-N 2.74Å; D316-E318 VanDerWaalsContact OD1-N 3.13Å; E318-K320 VanDerWaalsContact C-N 3.33Å; E318-N322 PolarHBondContact O-ND2 2.8Å
319L65.9Low67.8Low63 Ų6386.3 Ų86.333%0.3343%0.429SS..Hα-helixtrans-64.3-36.2170.8-79.3173.6000111.7D316 Y323D316-L319 HydrophobicContact CB-CB 4.01Å; D316-L319 HydrophobicContact CB-CD1 4.02Å; D316-L319 HydrophobicContact CB-CG 4.33Å; D316-L319 PolarHBondContact O-N 2.7Å; D316-L319 PolarHBondContact OD1-N 2.73Å; D316-L319 WeakPolarHBondContact OD2-CD1 3.27Å; D316-L319 WeakPolarHBondContact OD2-CG 3.44Å; L319-Y323 WeakPolarHBondContact O-CD2 3.5Å
320K63Low64.8Low26 Ų2684.8 Ų84.811%0.11342%0.42CS..Hα-helixtrans-85.6-38.4-174.6-70.2-174.1174.2-152.20114.5Q81 D84 P287 N288 N291 D316 F317 E318 N322 Y323Q81-K320 VanDerWaalsContact CD-NZ 3.32Å; D84-K320 WeakPolarHBondContact OD2-CE 3.33Å; D84-K320 IonicContact OD2-NZ 3.5Å; D84-K320 PolarHBondContact OD2-NZ 3Å; P287-K320 PolarHBondContact O-NZ 3.43Å; N288-K320 HydrophobicContact CB-CD 3.99Å; N291-K320 WeakPolarHBondContact OD1-CD 3.48Å; D316-K320 WeakPolarHBondContact O-CG 3.41Å; D316-K320 PolarHBondContact O-N 2.93Å; F317-K320 PolarHBondContact O-N 3.42Å; E318-K320 VanDerWaalsContact C-N 3.33Å; K320-N322 VanDerWaalsContact C-N 3.32Å; K320-N322 PolarHBondContact O-N 2.84Å; K320-Y323 PolarHBondContact O-N 3.18Å
321L52.7Low61.7Low124 Ų12489.9 Ų89.965%0.64944%0.442SS*.Hα-helixtrans-67.4-30.4-178.7-79.1160.6000113.2F317 Y323F317-L321 HydrophobicContact CB-CD1 4.06Å; F317-L321 WeakPolarHBondContact O-CB 3.47Å; F317-L321 WeakPolarHBondContact O-CD1 3.39Å; F317-L321 VanDerWaalsContact O-CG 3.28Å; F317-L321 WeakPolarHBondContact O-CG 3.36Å; F317-L321 PolarHBondContact O-N 3.04Å; L321-Y323 VanDerWaalsContact C-N 3.25Å; L321-Y323 PolarHBondContact O-N 2.93Å
322N44.3Very low58.7Low113 Ų11395.8 Ų95.860%0.60447%0.467SS*.THydrogen-bonded Turntrans-76.7-9.5-175.7-75.5-43.4000114E318 K320E318-N322 PolarHBondContact O-ND2 2.8Å; K320-N322 VanDerWaalsContact C-N 3.32Å; K320-N322 PolarHBondContact O-N 2.84Å
323Y50.4Low56.8Low82 Ų8298.1 Ų98.132%0.32248%0.475SS..  trans-13613.9-160.3-58.5-48.7000117.4K36 P37 L319 K320 L321 P325K36-Y323 HydrophobicContact CB-CE1 4.24Å; K36-Y323 HydrophobicContact CD-CD1 3.72Å; K36-Y323 HydrophobicContact CD-CE1 3.71Å; K36-Y323 HydrophobicContact CG-CD1 3.52Å; K36-Y323 HydrophobicContact CG-CE1 3.55Å; K36-Y323 HydrophobicContact CG-CG 4.09Å; P37-Y323 HydrophobicContact CB-CD2 4.46Å; P37-Y323 HydrophobicContact CG-CD2 3.61Å; P37-Y323 HydrophobicContact CG-CE2 4.29Å; P37-Y323 HydrophobicContact CG-CG 4.17Å; L319-Y323 WeakPolarHBondContact O-CD2 3.5Å; K320-Y323 PolarHBondContact O-N 3.18Å; L321-Y323 VanDerWaalsContact C-N 3.25Å; L321-Y323 PolarHBondContact O-N 2.93Å; Y323-P325 WeakPolarHBondContact O-CD 3.34Å
324L45.9Very low54.8Low113 Ų113102.4 Ų102.459%0.59250%0.496SS*.  trans-60.5120178.2-67.7168.2000113.1N291N291-L324 HydrophobicContact CB-CD2 4.19Å; N291-L324 WeakPolarHBondContact ND2-CD2 3.33Å
325P45.1Very low52.6Low88 Ų88100.9 Ų100.957%0.57150%0.496SS*.  trans-94139.5141.224.2-4.6000109.1Y323Y323-P325 WeakPolarHBondContact O-CD 3.34Å
326Y38.7Very low50.6Low209 Ų209105.5 Ų105.582%0.8252%0.517SS*.  trans-24126.6170.6-176.3-94.3000115.6P328Y326-P328 HydrophobicContact CE1-CB 4.47Å
327Q47.6Very low48.7Very low59 Ų59109.1 Ų109.128%0.27653%0.533SS..  trans-110.4134.5165.6-69.5-168.5-24.100109.6R109R109-Q327 VanDerWaalsContact O-CD 3.27Å; R109-Q327 PolarHBondContact O-NE2 3Å
328P37.8Very low46.9Very low99 Ų99109.5 Ų109.564%0.64354%0.538SS*.  trans-74.8129.6174.529.6-28.9000109.9Y326 C330Y326-P328 HydrophobicContact CE1-CB 4.47Å; P328-C330 PolarHBondContact O-N 3.09Å
329D38.8Very low45.4Very low134 Ų134106.2 Ų106.272%0.71753%0.525SS*.  trans-5.7100.9176.4-67-21.9000116K331D329-K331 VanDerWaalsContact C-N 3.25Å; D329-K331 PolarHBondContact O-N 2.79Å
330C35.2Very low43.8Very low28 Ų28109.5 Ų109.519%0.18954%0.54CS..  trans-71.282.8163.2-81.60000109.5R109 P328R109-C330 PolarHBondContact NH1-SG 3.4Å; R109-C330 VanDerWaalsContact NH1-SG 3.44Å; P328-C330 PolarHBondContact O-N 3.09Å
331K33.2Very low42.2Very low160 Ų160116.5 Ų116.570%0.69658%0.576SS**  trans-90132.6162.3-69-175.5-177.7176.30108.9D329D329-K331 VanDerWaalsContact C-N 3.25Å; D329-K331 PolarHBondContact O-N 2.79Å
332F36.3Very low41.2Very low189 Ų189115.8 Ų115.883%0.82957%0.569SS**  trans-66.70176.7-78.6-81.3000112.1F293F293-F332 HydrophobicContact CE1-CE2 4.1Å; F293-F332 AromaticContact CE1-CZ 3.61Å; F293-F332 HydrophobicContact CE1-CZ 3.61Å; F293-F332 HydrophobicContact CE2-CZ 4.43Å; F293-F332 HydrophobicContact CZ-CE1 4.43Å; F293-F332 AromaticContact CZ-CE2 3.63Å; F293-F332 HydrophobicContact CZ-CE2 3.63Å; F293-F332 AromaticContact CZ-CZ 3.28Å; F293-F332 HydrophobicContact CZ-CZ 3.28Å

Retrieved 332 of 332 residues in 495 ms (Link to these results)

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