A0A077ZEE1_TRITR Loading...

Acyltransferase domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZEE1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 248 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
1M63.7Low79.4Confident200 Ų20069.2 Ų69.299%0.98537%0.367SS*.  0-63.60-160.2-179.9-71.200112.5Y3 C4 W5M1-Y3 PolarHBondContact O-N 2.79Å; M1-C4 WeakPolarHBondContact O-CB 3.46Å; M1-C4 PolarHBondContact O-N 2.87Å; M1-C4 VanDerWaalsContact O-N 3.12Å; M1-W5 PolarHBondContact O-N 2.68Å
2M70.3Confident80.1Confident19 Ų1969.3 Ų69.39%0.09437%0.367CS..Hα-helixtrans-62.9-36.2-177-174.4169.1172.300114C4 W5 C6 M60 N61 L82M2-C4 VanDerWaalsContact C-N 3.35Å; M2-C4 PolarHBondContact O-N 3.26Å; M2-W5 HydrophobicContact CG-CE3 4.48Å; M2-W5 WeakPolarHBondContact O-CB 3.47Å; M2-W5 PolarHBondContact O-N 3.25Å; M2-C6 PolarHBondContact O-N 3.2Å; M2-C6 PolarHBondContact O-SG 2.85Å; M2-M60 HydrophobicContact CB-CE 3.75Å; M2-M60 HydrophobicContact CB-SD 4.05Å; M2-M60 HydrophobicContact CE-CG 3.95Å; M2-M60 HydrophobicContact CE-SD 3.49Å; M2-M60 WeakPolarHBondContact CE-SD 3.36Å; M2-M60 HydrophobicContact CG-CE 3.88Å; M2-M60 HydrophobicContact CG-CG 4.41Å; M2-M60 HydrophobicContact CG-SD 3.49Å; M2-M60 WeakPolarHBondContact CG-SD 3.37Å; M2-M60 HydrophobicContact SD-CE 4.15Å; M2-M60 HydrophobicContact SD-CG 3.45Å; M2-M60 WeakPolarHBondContact SD-CG 3.23Å; M2-M60 HydrophobicContact SD-SD 3.24Å; M2-N61 HydrophobicContact CE-CB 4.49Å; M2-N61 WeakPolarHBondContact CE-O 3.43Å; M2-L82 HydrophobicContact CB-CD2 4.01Å; M2-L82 HydrophobicContact CG-CD1 4.49Å; M2-L82 HydrophobicContact CG-CD2 4.35Å; M2-L82 HydrophobicContact SD-CD1 3.48Å; M2-L82 WeakPolarHBondContact SD-CD1 3.47Å; M2-L82 HydrophobicContact SD-CD2 3.43Å; M2-L82 WeakPolarHBondContact SD-CD2 3.24Å; M2-L82 HydrophobicContact SD-CG 4.1Å
3Y74.2Confident80.8Confident110 Ų11064.6 Ų64.643%0.43134%0.342SS..Hα-helixtrans-58-46.8172.7-173.4-93.3000112M1 W5 C6 E7M1-Y3 PolarHBondContact O-N 2.79Å; Y3-W5 VanDerWaalsContact C-N 3.31Å; Y3-W5 PolarHBondContact O-N 3.01Å; Y3-C6 WeakPolarHBondContact O-CB 3.38Å; Y3-C6 PolarHBondContact O-N 2.85Å; Y3-E7 HydrophobicContact CD1-CG 4.02Å; Y3-E7 HydrophobicContact CE1-CG 3.6Å; Y3-E7 PolarHBondContact O-N 2.96Å; Y3-E7 PolarHBondContact OH-OE1 3.02Å
4C78.1Confident81.4Confident88 Ų8871.7 Ų71.760%0.59537%0.372SS*.Hα-helixtrans-61.6-39.3176.6-52.90000111.9M1 M2 E7 G8M1-C4 WeakPolarHBondContact O-CB 3.46Å; M1-C4 PolarHBondContact O-N 2.87Å; M1-C4 VanDerWaalsContact O-N 3.12Å; M2-C4 VanDerWaalsContact C-N 3.35Å; M2-C4 PolarHBondContact O-N 3.26Å; C4-E7 PolarHBondContact O-N 3.27Å; C4-G8 PolarHBondContact O-N 3.37Å
5W76.2Confident82Confident125 Ų12575.5 Ų75.547%0.47339%0.392SS..Hα-helixtrans-63-44.2174.3179.971.9000111.7M1 M2 Y3 E7 G8 L9 C51M1-W5 PolarHBondContact O-N 2.68Å; M2-W5 HydrophobicContact CG-CE3 4.48Å; M2-W5 WeakPolarHBondContact O-CB 3.47Å; M2-W5 PolarHBondContact O-N 3.25Å; Y3-W5 VanDerWaalsContact C-N 3.31Å; Y3-W5 PolarHBondContact O-N 3.01Å; W5-E7 VanDerWaalsContact C-N 3.35Å; W5-E7 PolarHBondContact O-N 3.06Å; W5-G8 PolarHBondContact O-N 3.08Å; W5-L9 HydrophobicContact CD2-CD1 3.74Å; W5-L9 HydrophobicContact CD2-CG 4.47Å; W5-L9 VanDerWaalsContact CE2-CD1 3.5Å; W5-L9 HydrophobicContact CE3-CD1 3.87Å; W5-L9 HydrophobicContact CH2-CD1 3.61Å; W5-L9 HydrophobicContact CZ2-CD1 3.46Å; W5-L9 VanDerWaalsContact CZ2-CD1 3.46Å; W5-L9 HydrophobicContact CZ2-CG 4.48Å; W5-L9 HydrophobicContact CZ3-CD1 3.81Å; W5-L9 WeakPolarHBondContact O-CG 3.42Å; W5-L9 PolarHBondContact O-N 3.25Å; W5-C51 HydrophobicContact CZ3-CB 4.17Å
6C79.7Confident82.6Confident4 Ų471.8 Ų71.83%0.02737%0.373CS..Hα-helixtrans-62.6-39174.6-64.90000112.4M2 Y3 L9 A10 R55M2-C6 PolarHBondContact O-N 3.2Å; M2-C6 PolarHBondContact O-SG 2.85Å; Y3-C6 WeakPolarHBondContact O-CB 3.38Å; Y3-C6 PolarHBondContact O-N 2.85Å; C6-L9 PolarHBondContact O-N 3.03Å; C6-A10 WeakPolarHBondContact O-CB 3.47Å; C6-A10 PolarHBondContact O-N 3.36Å; C6-R55 HydrophobicContact CB-CB 4.29Å
7E84.3Confident82.9Confident50 Ų5074.1 Ų74.123%0.23439%0.393CS..Hα-helixtrans-67.5-40.7174.8-70.1-57.9152.800111.7Y3 C4 W5 L9 A10 V11 R55Y3-E7 HydrophobicContact CD1-CG 4.02Å; Y3-E7 HydrophobicContact CE1-CG 3.6Å; Y3-E7 PolarHBondContact O-N 2.96Å; Y3-E7 PolarHBondContact OH-OE1 3.02Å; C4-E7 PolarHBondContact O-N 3.27Å; W5-E7 VanDerWaalsContact C-N 3.35Å; W5-E7 PolarHBondContact O-N 3.06Å; E7-L9 VanDerWaalsContact C-N 3.32Å; E7-L9 PolarHBondContact O-N 2.84Å; E7-A10 WeakPolarHBondContact O-CB 3.38Å; E7-A10 PolarHBondContact O-N 2.78Å; E7-A10 VanDerWaalsContact O-N 3.11Å; E7-V11 WeakPolarHBondContact O-CG2 3.37Å; E7-V11 PolarHBondContact O-N 3.48Å; E7-R55 WeakPolarHBondContact OE1-CD 3.19Å; E7-R55 IonicContact OE1-CZ 2.87Å; E7-R55 IonicContact OE1-NE 2.78Å; E7-R55 PolarHBondContact OE1-NE 3.38Å; E7-R55 IonicContact OE1-NH2 3.87Å; E7-R55 IonicContact OE2-CZ 2.91Å; E7-R55 IonicContact OE2-NE 3.7Å; E7-R55 PolarHBondContact OE2-NE 2.95Å; E7-R55 IonicContact OE2-NH2 3.79Å; E7-R55 PolarHBondContact OE2-NH2 3.21Å
8G85.5Confident83.3Confident44 Ų4477.6 Ų77.645%0.45441%0.407SS..Hα-helixtrans-60.2-41.6173.900000112.5C4 W5 V11 L12C4-G8 PolarHBondContact O-N 3.37Å; W5-G8 PolarHBondContact O-N 3.08Å; G8-V11 PolarHBondContact O-N 2.76Å; G8-L12 PolarHBondContact O-N 3.04Å
9L85.5Confident83.8Confident24 Ų2474.6 Ų74.613%0.12639%0.391CS..Hα-helixtrans-66.8-36.5173-70.1173.4000112.5W5 C6 E7 V11 L12 L13 V48 V52W5-L9 HydrophobicContact CD2-CD1 3.74Å; W5-L9 HydrophobicContact CD2-CG 4.47Å; W5-L9 VanDerWaalsContact CE2-CD1 3.5Å; W5-L9 HydrophobicContact CE3-CD1 3.87Å; W5-L9 HydrophobicContact CH2-CD1 3.61Å; W5-L9 HydrophobicContact CZ2-CD1 3.46Å; W5-L9 VanDerWaalsContact CZ2-CD1 3.46Å; W5-L9 HydrophobicContact CZ2-CG 4.48Å; W5-L9 HydrophobicContact CZ3-CD1 3.81Å; W5-L9 WeakPolarHBondContact O-CG 3.42Å; W5-L9 PolarHBondContact O-N 3.25Å; C6-L9 PolarHBondContact O-N 3.03Å; E7-L9 VanDerWaalsContact C-N 3.32Å; E7-L9 PolarHBondContact O-N 2.84Å; L9-V11 VanDerWaalsContact C-N 3.35Å; L9-L12 HydrophobicContact CD2-CD2 4.48Å; L9-L12 WeakPolarHBondContact O-CB 3.44Å; L9-L12 PolarHBondContact O-N 3.28Å; L9-L13 WeakPolarHBondContact O-CG 3.27Å; L9-L13 PolarHBondContact O-N 2.75Å; L9-V48 HydrophobicContact CB-CG1 4.2Å; L9-V48 HydrophobicContact CD1-CB 4.47Å; L9-V48 HydrophobicContact CD1-CG1 4.06Å; L9-V48 HydrophobicContact CD1-CG2 4.15Å; L9-V48 HydrophobicContact CD2-CG1 4.06Å; L9-V48 HydrophobicContact CD2-CG2 4.31Å; L9-V48 HydrophobicContact CG-CG1 4.35Å; L9-V52 HydrophobicContact CB-CG2 3.69Å
10A86.6Confident84.4Confident12 Ų1277.2 Ų77.210%0.09940%0.401CS..Hα-helixtrans-64.3-42.2176.100000111.2C6 E7 L13 H14 V52C6-A10 WeakPolarHBondContact O-CB 3.47Å; C6-A10 PolarHBondContact O-N 3.36Å; E7-A10 WeakPolarHBondContact O-CB 3.38Å; E7-A10 PolarHBondContact O-N 2.78Å; E7-A10 VanDerWaalsContact O-N 3.11Å; A10-L13 PolarHBondContact O-N 2.96Å; A10-H14 WeakPolarHBondContact O-CB 3.32Å; A10-H14 PolarHBondContact O-N 3.41Å; A10-V52 HydrophobicContact CB-CG1 3.79Å; A10-V52 HydrophobicContact CB-CG2 4.23Å
11V89Confident84.9Confident85 Ų8577.9 Ų77.952%0.51540%0.398SS..Hα-helixtrans-61.6-47.6173.3172.40000110.4E7 G8 L9 L13 H14 L15E7-V11 WeakPolarHBondContact O-CG2 3.37Å; E7-V11 PolarHBondContact O-N 3.48Å; G8-V11 PolarHBondContact O-N 2.76Å; L9-V11 VanDerWaalsContact C-N 3.35Å; V11-L13 VanDerWaalsContact C-N 3.27Å; V11-L13 PolarHBondContact O-N 3.24Å; V11-H14 WeakPolarHBondContact O-CA 3.21Å; V11-H14 WeakPolarHBondContact O-CB 3.48Å; V11-H14 PolarHBondContact O-N 2.97Å; V11-L15 WeakPolarHBondContact O-CG 3.4Å; V11-L15 PolarHBondContact O-N 3.33Å
12L87.8Confident86.4Confident71 Ų7171.5 Ų71.537%0.37237%0.366SS..Hα-helixtrans-53.7-44.4177.2-175.877.7000112G8 L9 L15 L188G8-L12 PolarHBondContact O-N 3.04Å; L9-L12 HydrophobicContact CD2-CD2 4.48Å; L9-L12 WeakPolarHBondContact O-CB 3.44Å; L9-L12 PolarHBondContact O-N 3.28Å; L12-L15 PolarHBondContact O-N 2.95Å; L12-L188 HydrophobicContact CD2-CD2 4.31Å
13L88.8Confident87.6Confident8 Ų872.7 Ų72.74%0.04238%0.375CS..Hα-helixtrans-70-34177.8-67.3176.6000112.4L9 A10 V11 L15 N16 L19 W21 V48 V52 M187L9-L13 WeakPolarHBondContact O-CG 3.27Å; L9-L13 PolarHBondContact O-N 2.75Å; A10-L13 PolarHBondContact O-N 2.96Å; V11-L13 VanDerWaalsContact C-N 3.27Å; V11-L13 PolarHBondContact O-N 3.24Å; L13-L15 VanDerWaalsContact C-N 3.27Å; L13-L15 PolarHBondContact O-N 2.89Å; L13-N16 PolarHBondContact O-N 2.93Å; L13-L19 HydrophobicContact CB-CD2 3.92Å; L13-L19 HydrophobicContact CD2-CD2 4Å; L13-L19 HydrophobicContact CG-CD2 4.46Å; L13-W21 HydrophobicContact CD1-CH2 4.18Å; L13-W21 HydrophobicContact CD1-CZ2 3.64Å; L13-V48 HydrophobicContact CD1-CG1 4.16Å; L13-V52 HydrophobicContact CD1-CB 4.23Å; L13-V52 HydrophobicContact CD1-CG1 4.22Å; L13-V52 HydrophobicContact CD1-CG2 3.94Å; L13-M187 HydrophobicContact CD2-CG 3.41Å; L13-M187 VanDerWaalsContact CD2-CG 3.41Å; L13-M187 HydrophobicContact CD2-SD 3.8Å
14H89.3Confident88.6Confident164 Ų16471.3 Ų71.376%0.75937%0.372SS*.Hα-helixtrans-69-24.4177-16968.3000113A10 V11 N16A10-H14 WeakPolarHBondContact O-CB 3.32Å; A10-H14 PolarHBondContact O-N 3.41Å; V11-H14 WeakPolarHBondContact O-CA 3.21Å; V11-H14 WeakPolarHBondContact O-CB 3.48Å; V11-H14 PolarHBondContact O-N 2.97Å; H14-N16 PolarHBondContact O-N 3.03Å
15L90.2Very high89.4Confident129 Ų12968 Ų6868%0.67535%0.353SS*.THydrogen-bonded Turntrans-68.4-13.9174.1-66.5174.9000113.4V11 L12 L13 P17V11-L15 WeakPolarHBondContact O-CG 3.4Å; V11-L15 PolarHBondContact O-N 3.33Å; L12-L15 PolarHBondContact O-N 2.95Å; L13-L15 VanDerWaalsContact C-N 3.27Å; L13-L15 PolarHBondContact O-N 2.89Å; L15-P17 WeakPolarHBondContact O-CD 3.26Å
16N91.8Very high90.2Very high15 Ų1564.1 Ų64.18%0.0834%0.341CS..  trans-92.498.2172.6-179.6-3.4000109.6L13 H14 H18 L19 G190 L192L13-N16 PolarHBondContact O-N 2.93Å; H14-N16 PolarHBondContact O-N 3.03Å; N16-H18 PolarHBondContact O-N 3.49Å; N16-H18 PolarHBondContact OD1-N 3.06Å; N16-H18 VanDerWaalsContact OD1-N 3.15Å; N16-L19 HydrophobicContact CB-CB 4.05Å; N16-L19 WeakPolarHBondContact O-CB 3.15Å; N16-L19 PolarHBondContact O-N 2.91Å; N16-L19 VanDerWaalsContact O-N 3.14Å; N16-L19 PolarHBondContact OD1-N 2.83Å; N16-G190 PolarHBondContact ND2-O 3.44Å; N16-G190 PolarHBondContact OD1-O 2.86Å; N16-L192 PolarHBondContact ND2-O 3.14Å
17P88.3Confident90.8Very high111 Ų11170.8 Ų70.872%0.72137%0.372SS*.THydrogen-bonded Turntrans-68.4-17.3-175.730.2-37.4000113.1L15L15-P17 WeakPolarHBondContact O-CD 3.26Å
18H89.6Confident91Very high138 Ų13871.1 Ų71.164%0.63939%0.389SS*.THydrogen-bonded Turntrans-88.1-7.9179.1-56.8-60.6000112.8N16 Q20 T193N16-H18 PolarHBondContact O-N 3.49Å; N16-H18 PolarHBondContact OD1-N 3.06Å; N16-H18 VanDerWaalsContact OD1-N 3.15Å; H18-Q20 PolarHBondContact O-N 3.29Å; H18-T193 VanDerWaalsContact O-O 3.04Å
19L93.7Very high91.5Very high21 Ų2170.3 Ų70.311%0.1137%0.374CS..  trans-74.6114.1-178177.661000111.3L13 N16 L192 T193 I195L13-L19 HydrophobicContact CB-CD2 3.92Å; L13-L19 HydrophobicContact CD2-CD2 4Å; L13-L19 HydrophobicContact CG-CD2 4.46Å; N16-L19 HydrophobicContact CB-CB 4.05Å; N16-L19 WeakPolarHBondContact O-CB 3.15Å; N16-L19 PolarHBondContact O-N 2.91Å; N16-L19 VanDerWaalsContact O-N 3.14Å; N16-L19 PolarHBondContact OD1-N 2.83Å; L19-L192 HydrophobicContact CD1-CB 4.3Å; L19-L192 HydrophobicContact CD1-CD2 3.99Å; L19-L192 HydrophobicContact CD1-CG 3.83Å; L19-T193 WeakPolarHBondContact CA-O 3.33Å; L19-I195 HydrophobicContact CD1-CD1 3.59Å; L19-I195 HydrophobicContact CD1-CG1 3.73Å; L19-I195 HydrophobicContact CD2-CD1 4.02Å; L19-I195 HydrophobicContact CG-CD1 4.27Å
20Q94.3Very high91.8Very high126 Ų12671 Ų7159%0.58938%0.381SS*.EExtended strand (participates in β ladder)trans-97134173.8-64.1-177.5-18.400111H18 T193 R194 I195H18-Q20 PolarHBondContact O-N 3.29Å; Q20-T193 PolarHBondContact N-O 2.92Å; Q20-R194 HydrophobicContact CB-CB 4.41Å; Q20-R194 HydrophobicContact CB-CG 4.16Å; Q20-R194 VanDerWaalsContact O-CA 3.32Å; Q20-R194 WeakPolarHBondContact O-CA 3.37Å; Q20-I195 PolarHBondContact O-N 3.14Å
21W95Very high92.1Very high91 Ų9175 Ų7535%0.34540%0.396SS..EExtended strand (participates in β ladder)trans-106.3120.8172.4-72.879.6000109.3L13 V23 V49 V52 L53 I195L13-W21 HydrophobicContact CD1-CH2 4.18Å; L13-W21 HydrophobicContact CD1-CZ2 3.64Å; W21-V23 HydrophobicContact CB-CG2 4.4Å; W21-V23 HydrophobicContact CE3-CG2 4.05Å; W21-V49 HydrophobicContact CH2-CB 4.43Å; W21-V49 HydrophobicContact CH2-CG1 4.01Å; W21-V49 HydrophobicContact CH2-CG2 4.33Å; W21-V49 HydrophobicContact CZ3-CG1 3.82Å; W21-V52 HydrophobicContact CH2-CG1 4.3Å; W21-V52 HydrophobicContact CZ2-CG1 4.34Å; W21-L53 HydrophobicContact CZ3-CB 4.24Å; W21-L53 HydrophobicContact CZ3-CD1 4.34Å; W21-I195 HydrophobicContact CD2-CB 4.48Å; W21-I195 HydrophobicContact CD2-CD1 4.15Å; W21-I195 HydrophobicContact CE3-CB 4.31Å; W21-I195 HydrophobicContact CE3-CD1 4.34Å; W21-I195 HydrophobicContact CE3-CG2 4.2Å; W21-I195 HydrophobicContact CH2-CD1 3.85Å; W21-I195 HydrophobicContact CZ2-CD1 3.61Å; W21-I195 HydrophobicContact CZ3-CD1 4.2Å; W21-I195 HydrophobicContact CZ3-CG2 4.14Å
22E95.4Very high92.2Very high66 Ų6679.1 Ų79.131%0.30841%0.407SS..EExtended strand (participates in β ladder)trans-113.2106.5169.9-171.6-172.9145.200107.2H24 I195 V196 V197E22-H24 WeakPolarHBondContact CG-NE2 3.37Å; E22-H24 IonicContact OE1-CD2 3.8Å; E22-H24 IonicContact OE1-CE1 3.46Å; E22-H24 IonicContact OE1-NE2 2.62Å; E22-H24 PolarHBondContact OE1-NE2 3.44Å; E22-I195 PolarHBondContact N-O 3.46Å; E22-V196 HydrophobicContact CB-CB 4.45Å; E22-V196 HydrophobicContact CB-CG1 4.21Å; E22-V196 HydrophobicContact CB-CG2 4.13Å; E22-V196 HydrophobicContact CG-CG1 4.25Å; E22-V196 CarbonylContact O-C 3.56Å; E22-V196 VanDerWaalsContact O-CA 3.29Å; E22-V196 WeakPolarHBondContact O-CA 3.17Å; E22-V197 PolarHBondContact O-N 3.46Å
23V96Very high92.5Very high45 Ų4577.6 Ų77.627%0.27340%0.399SS..EExtended strand (participates in β ladder)trans-124.8128.6-174.9-1730000110.1W21 L26 L53 V197W21-V23 HydrophobicContact CB-CG2 4.4Å; W21-V23 HydrophobicContact CE3-CG2 4.05Å; V23-L26 HydrophobicContact CB-CD1 4.49Å; V23-L26 HydrophobicContact CG1-CD1 3.73Å; V23-L26 HydrophobicContact CG1-CD2 4.03Å; V23-L26 HydrophobicContact CG1-CG 3.62Å; V23-L53 HydrophobicContact CB-CD1 4.44Å; V23-L53 HydrophobicContact CG1-CD1 3.95Å; V23-L53 HydrophobicContact CG1-CD2 4.08Å; V23-L53 HydrophobicContact CG2-CD1 3.79Å; V23-V197 WeakPolarHBondContact CA-O 3.44Å; V23-V197 HydrophobicContact CG1-CB 4.31Å; V23-V197 HydrophobicContact CG2-CB 4.4Å
24H96Very high92.6Very high80 Ų8079.4 Ų79.437%0.3741%0.406SS..EExtended strand (participates in β ladder)trans-121141.6178-56.1-81.5000110.2E22 V197 V199E22-H24 WeakPolarHBondContact CG-NE2 3.37Å; E22-H24 IonicContact OE1-CD2 3.8Å; E22-H24 IonicContact OE1-CE1 3.46Å; E22-H24 IonicContact OE1-NE2 2.62Å; E22-H24 PolarHBondContact OE1-NE2 3.44Å; H24-V197 PolarHBondContact N-O 3.45Å; H24-V199 WeakPolarHBondContact O-CB 3.49Å; H24-V199 PolarHBondContact O-N 3.48Å
25G94.2Very high92.9Very high20 Ų2071.6 Ų71.621%0.20637%0.369CS..  trans83.930.3169.700000116.2E27 V199G25-E27 VanDerWaalsContact C-OE2 3.26Å; G25-E27 WeakPolarHBondContact CA-OE2 3.24Å; G25-V199 WeakPolarHBondContact CA-O 3.34Å; G25-V199 WeakPolarHBondContact O-CB 3.4Å; G25-V199 WeakPolarHBondContact O-CG1 3.37Å
26L93.4Very high93Very high42 Ų4265.5 Ų65.522%0.2234%0.337CS..  trans-80.9-5.8174.2-68.9-178.8000113.3V23 L29 L53 F54 V199V23-L26 HydrophobicContact CB-CD1 4.49Å; V23-L26 HydrophobicContact CG1-CD1 3.73Å; V23-L26 HydrophobicContact CG1-CD2 4.03Å; V23-L26 HydrophobicContact CG1-CG 3.62Å; L26-L29 HydrophobicContact CB-CD1 4.42Å; L26-L29 HydrophobicContact CD2-CD1 3.86Å; L26-L29 WeakPolarHBondContact O-CG 3.38Å; L26-L53 HydrophobicContact CD1-CD1 4.18Å; L26-L53 HydrophobicContact CD2-CD1 4.44Å; L26-L53 HydrophobicContact CD2-CD2 4.46Å; L26-L53 HydrophobicContact CD2-CG 4.34Å; L26-F54 HydrophobicContact CD2-CD1 4.49Å; L26-F54 HydrophobicContact CD2-CE1 3.98Å; L26-V199 HydrophobicContact CD2-CG2 4.29Å
27E91.4Very high93.2Very high144 Ų14464.8 Ų64.867%0.67333%0.334SS*.THydrogen-bonded Turntrans-68.6145.4-177.5-56.280.3-172.800111.7G25 L29G25-E27 VanDerWaalsContact C-OE2 3.26Å; G25-E27 WeakPolarHBondContact CA-OE2 3.24Å; E27-L29 PolarHBondContact O-N 3.19Å
28G90.2Very high93.5Very high57 Ų5759.5 Ų59.559%0.58830%0.299SS*.THydrogen-bonded Turntrans73.55.1175.800000115.6
29L94Very high93.9Very high27 Ų2753 Ų5314%0.14127%0.269CS..  trans-75.3143171.6-58.7-179.9000111.2L26 E27 Y35 F54 H57 I58 L170 L201L26-L29 HydrophobicContact CB-CD1 4.42Å; L26-L29 HydrophobicContact CD2-CD1 3.86Å; L26-L29 WeakPolarHBondContact O-CG 3.38Å; E27-L29 PolarHBondContact O-N 3.19Å; L29-Y35 HydrophobicContact CD2-CE1 4.34Å; L29-F54 HydrophobicContact CD1-CD1 4.18Å; L29-F54 HydrophobicContact CD1-CE1 3.75Å; L29-H57 CarbonylContact C-O 3.57Å; L29-H57 HydrophobicContact CB-CB 4.12Å; L29-H57 HydrophobicContact CD1-CB 3.88Å; L29-I58 HydrophobicContact CB-CG2 4.01Å; L29-I58 HydrophobicContact CD1-CG2 4.1Å; L29-I58 HydrophobicContact CD2-CG2 4.02Å; L29-I58 HydrophobicContact CG-CG2 4.27Å; L29-L170 HydrophobicContact CD2-CD2 3.43Å; L29-L170 VanDerWaalsContact CD2-CD2 3.43Å; L29-L201 HydrophobicContact CD2-CD1 4.04Å; L29-L201 HydrophobicContact CD2-CD2 4.33Å
30S93.5Very high94Very high39 Ų3952 Ų5227%0.27326%0.264SS..  trans-144.7135.5-177.7169.50000110.9K32 N33 Y35 H57S30-K32 PolarHBondContact O-N 2.99Å; S30-K32 PolarHBondContact OG-N 3.34Å; S30-K32 VanDerWaalsContact OG-N 3.13Å; S30-N33 PolarHBondContact O-N 2.76Å; S30-Y35 PolarHBondContact N-OH 3.14Å; S30-Y35 VanDerWaalsContact O-CE2 3.24Å; S30-Y35 WeakPolarHBondContact O-CE2 3.45Å; S30-Y35 PolarHBondContact O-OH 2.79Å; S30-Y35 VanDerWaalsContact O-OH 3.08Å; S30-H57 CarbonylContact C-O 3.57Å; S30-H57 PolarHBondContact N-O 3.15Å
31K92.5Very high94Very high97 Ų9747 Ų4742%0.42224%0.24SC..THydrogen-bonded Turntrans-67.2-10.5173.5-70-168.7171.6-174.20114.5R55 K56 H57 P120K31-R55 VanDerWaalsContact CE-O 3.25Å; K31-R55 WeakPolarHBondContact CE-O 3.49Å; K31-R55 PolarHBondContact NZ-O 2.89Å; K31-K56 VanDerWaalsContact CE-O 3.26Å; K31-K56 WeakPolarHBondContact CE-O 3.48Å; K31-H57 PolarHBondContact N-O 2.9Å; K31-P120 WeakPolarHBondContact O-CB 3.2Å
32K91.5Very high93.8Very high171 Ų17144.3 Ų44.374%0.74323%0.23SC*.THydrogen-bonded Turntrans-90.4-7.9-178.6-61.1-177.2179.1179.60113.6S30 P120S30-K32 PolarHBondContact O-N 2.99Å; S30-K32 PolarHBondContact OG-N 3.34Å; S30-K32 VanDerWaalsContact OG-N 3.13Å; K32-P120 WeakPolarHBondContact O-CG 3.22Å
33N92.6Very high93.7Very high38 Ų3841.5 Ų41.520%0.20322%0.218CC..SBendtrans-101.8157-175.6-63.91.7000111.3S30 Y35 P59 D167S30-N33 PolarHBondContact O-N 2.76Å; N33-Y35 HydrophobicContact CB-CD2 4.43Å; N33-Y35 HydrophobicContact CB-CE1 4.28Å; N33-Y35 HydrophobicContact CB-CE2 3.64Å; N33-Y35 WeakPolarHBondContact CB-OH 3.47Å; N33-Y35 PolarHBondContact ND2-OH 3.03Å; N33-P59 WeakPolarHBondContact O-CD 3.17Å; N33-P59 WeakPolarHBondContact O-CG 3.41Å; N33-D167 WeakPolarHBondContact CA-OD2 3.43Å; N33-D167 HydrophobicContact CB-CB 4.07Å; N33-D167 VanDerWaalsContact CB-OD2 3.26Å; N33-D167 WeakPolarHBondContact CB-OD2 3.28Å
34W92.5Very high93.3Very high47 Ų4743.8 Ų43.818%0.17822%0.222CC..  trans-93.5133.2168.4-73.1-104.5000110.1F116 H119 P120 T121 Q165 F166 D167 K168W34-F116 PolarHBondContact NE1-O 3.22Å; W34-H119 PolarHBondContact NE1-O 2.69Å; W34-P120 HydrophobicContact CD2-CB 4.49Å; W34-P120 VanDerWaalsContact CE2-CA 3.44Å; W34-P120 HydrophobicContact CE3-CG 4.47Å; W34-P120 HydrophobicContact CH2-CB 4.49Å; W34-P120 HydrophobicContact CH2-CG 3.76Å; W34-P120 HydrophobicContact CZ2-CB 4.49Å; W34-P120 HydrophobicContact CZ2-CG 4.06Å; W34-P120 VanDerWaalsContact CZ2-N 3.28Å; W34-P120 HydrophobicContact CZ3-CB 4.5Å; W34-P120 HydrophobicContact CZ3-CG 3.98Å; W34-T121 WeakPolarHBondContact CA-O 3.31Å; W34-Q165 WeakPolarHBondContact CB-O 3.45Å; W34-Q165 HydrophobicContact CD2-CG 4.12Å; W34-Q165 HydrophobicContact CG-CG 4.04Å; W34-F166 HydrophobicContact CB-CD1 4.24Å; W34-D167 PolarHBondContact N-OD2 2.78Å; W34-D167 PolarHBondContact O-N 3.37Å; W34-K168 PolarHBondContact O-N 3.37Å
35Y94.4Very high93.1Very high0 Ų040 Ų400%020%0.204CC..EExtended strand (participates in β ladder)trans-124.8140.4179.2-58.8-84.7000111.5L29 S30 N33 I58 P59 T121 T122 I123 F166 K168 L170 L201L29-Y35 HydrophobicContact CD2-CE1 4.34Å; S30-Y35 PolarHBondContact N-OH 3.14Å; S30-Y35 VanDerWaalsContact O-CE2 3.24Å; S30-Y35 WeakPolarHBondContact O-CE2 3.45Å; S30-Y35 PolarHBondContact O-OH 2.79Å; S30-Y35 VanDerWaalsContact O-OH 3.08Å; N33-Y35 HydrophobicContact CB-CD2 4.43Å; N33-Y35 HydrophobicContact CB-CE1 4.28Å; N33-Y35 HydrophobicContact CB-CE2 3.64Å; N33-Y35 WeakPolarHBondContact CB-OH 3.47Å; N33-Y35 PolarHBondContact ND2-OH 3.03Å; Y35-I58 HydrophobicContact CD2-CB 4.07Å; Y35-I58 HydrophobicContact CD2-CG2 4.01Å; Y35-I58 HydrophobicContact CE2-CB 4Å; Y35-I58 HydrophobicContact CE2-CG2 3.71Å; Y35-P59 HydrophobicContact CD2-CG 4.42Å; Y35-T121 PolarHBondContact N-O 2.91Å; Y35-T121 VanDerWaalsContact N-O 3.14Å; Y35-T122 CarbonylContact O-C 3.56Å; Y35-T122 WeakPolarHBondContact O-CA 3.48Å; Y35-I123 PolarHBondContact O-N 3.44Å; Y35-F166 VanDerWaalsContact C-CD1 3.45Å; Y35-F166 WeakPolarHBondContact O-CE1 3.48Å; Y35-K168 WeakPolarHBondContact CA-O 3.32Å; Y35-K168 HydrophobicContact CD1-CB 3.92Å; Y35-K168 HydrophobicContact CE1-CB 3.98Å; Y35-K168 HydrophobicContact CE1-CD 4.43Å; Y35-L170 HydrophobicContact CD1-CD1 3.68Å; Y35-L170 HydrophobicContact CD1-CD2 4.03Å; Y35-L170 HydrophobicContact CD1-CG 3.61Å; Y35-L170 HydrophobicContact CD2-CD1 4.2Å; Y35-L170 HydrophobicContact CE1-CD1 4.4Å; Y35-L170 HydrophobicContact CE1-CD2 4.31Å; Y35-L170 HydrophobicContact CE1-CG 4.36Å; Y35-L170 HydrophobicContact CG-CD1 3.55Å; Y35-L170 HydrophobicContact CG-CG 3.97Å; Y35-L201 HydrophobicContact CD1-CD1 4.26Å; Y35-L201 HydrophobicContact CE1-CD1 3.89Å
36L93.7Very high93.1Very high1 Ų139 Ų391%0.00519%0.194CC..EExtended strand (participates in β ladder)trans-93.7116.8156.3178.560.6000107.1I38 I123 I155 A158 L159 F166 K168 L169 L170L36-I38 HydrophobicContact CG-CG2 4.37Å; L36-I123 HydrophobicContact CD1-CB 4.41Å; L36-I155 HydrophobicContact CD2-CB 4.4Å; L36-A158 HydrophobicContact CD1-CB 4.07Å; L36-L159 HydrophobicContact CD2-CD1 4.09Å; L36-L159 HydrophobicContact CD2-CD2 3.82Å; L36-L159 HydrophobicContact CD2-CG 3.72Å; L36-F166 HydrophobicContact CB-CD1 4.07Å; L36-F166 HydrophobicContact CB-CD2 4.43Å; L36-F166 HydrophobicContact CB-CE1 3.92Å; L36-F166 HydrophobicContact CB-CE2 4.27Å; L36-F166 HydrophobicContact CB-CG 4.31Å; L36-F166 HydrophobicContact CB-CZ 4Å; L36-F166 HydrophobicContact CD1-CZ 4.25Å; L36-K168 PolarHBondContact N-O 3.34Å; L36-L169 HydrophobicContact CB-CD1 4.15Å; L36-L169 HydrophobicContact CD2-CD1 4.1Å; L36-L169 HydrophobicContact CG-CD1 3.98Å; L36-L169 CarbonylContact O-C 3.59Å; L36-L169 WeakPolarHBondContact O-CA 3.36Å; L36-L169 WeakPolarHBondContact O-CD1 3.47Å; L36-L170 PolarHBondContact O-N 3.21Å
37L95Very high92.9Very high0 Ų038.3 Ų38.30%019%0.191CC..EExtended strand (participates in β ladder)trans-102.4119.9177.1-170.6157.9000109.5C39 L50 F54 I58 T122 I123 V124 N125 L170 V172L37-C39 HydrophobicContact CD2-CB 3.91Å; L37-L50 HydrophobicContact CD2-CD1 4.33Å; L37-L50 HydrophobicContact CD2-CD2 4.47Å; L37-F54 HydrophobicContact CD1-CD2 4.12Å; L37-F54 HydrophobicContact CD1-CE2 3.79Å; L37-F54 HydrophobicContact CD1-CZ 4.29Å; L37-I58 HydrophobicContact CD1-CD1 4.19Å; L37-T122 HydrophobicContact CB-CG2 3.81Å; L37-T122 HydrophobicContact CD1-CG2 4.19Å; L37-I123 PolarHBondContact N-O 3.25Å; L37-V124 HydrophobicContact CB-CG2 4.16Å; L37-V124 HydrophobicContact CD1-CG2 4.38Å; L37-V124 HydrophobicContact CD2-CG1 3.86Å; L37-V124 HydrophobicContact CD2-CG2 4.3Å; L37-V124 CarbonylContact O-C 3.55Å; L37-V124 WeakPolarHBondContact O-CA 3.4Å; L37-N125 PolarHBondContact O-N 2.73Å; L37-L170 CarbonylContact C-O 3.58Å; L37-L170 WeakPolarHBondContact CA-O 3.18Å; L37-L170 HydrophobicContact CB-CB 4.02Å; L37-L170 HydrophobicContact CB-CD1 4.44Å; L37-L170 HydrophobicContact CD1-CB 4.26Å; L37-L170 HydrophobicContact CD1-CD1 4.08Å; L37-L170 HydrophobicContact CG-CB 3.88Å; L37-L170 HydrophobicContact CG-CD1 4.49Å; L37-V172 HydrophobicContact CD1-CG2 3.91Å; L37-V172 HydrophobicContact CD2-CB 4.24Å; L37-V172 HydrophobicContact CD2-CG2 3.97Å; L37-V172 HydrophobicContact CG-CG2 3.78Å
38I95.5Very high92.8Very high0 Ų032 Ų320%016%0.162CC..EExtended strand (participates in β ladder)trans-107.8136.2173.363.8172.8000109.6L36 N125 V127 I155 L169 L170 N171 V172 L229L36-I38 HydrophobicContact CG-CG2 4.37Å; I38-N125 WeakPolarHBondContact CA-O 3.25Å; I38-V127 HydrophobicContact CB-CG2 3.71Å; I38-V127 HydrophobicContact CG2-CG2 3.92Å; I38-I155 HydrophobicContact CG2-CG2 3.71Å; I38-L169 HydrophobicContact CD1-CD1 4.1Å; I38-L169 HydrophobicContact CD1-CD2 4.25Å; I38-L169 HydrophobicContact CD1-CG 4.48Å; I38-L169 HydrophobicContact CG1-CD1 3.97Å; I38-L169 HydrophobicContact CG2-CD1 3.89Å; I38-L170 PolarHBondContact N-O 3.45Å; I38-N171 HydrophobicContact CD1-CB 4.28Å; I38-N171 HydrophobicContact CG1-CB 4.14Å; I38-V172 PolarHBondContact O-N 3.12Å; I38-L229 HydrophobicContact CD1-CD1 4.23Å
39C96.2Very high92.9Very high0 Ų029.3 Ų29.30%013%0.134CC..EExtended strand (participates in β ladder)trans-145.4148.4-176.8-1670000111.8L37 N125 F126 V127 V172 L174L37-C39 HydrophobicContact CD2-CB 3.91Å; C39-N125 PolarHBondContact N-O 2.9Å; C39-N125 VanDerWaalsContact N-O 3.11Å; C39-F126 HydrophobicContact CB-CD1 4.03Å; C39-F126 HydrophobicContact CB-CE1 4.04Å; C39-F126 WeakPolarHBondContact O-CA 3.41Å; C39-V127 PolarHBondContact O-N 3.41Å; C39-V172 WeakPolarHBondContact CA-O 3.31Å; C39-V172 HydrophobicContact CB-CB 4.34Å; C39-L174 VanDerWaalsContact SG-CD1 3.53Å
40N96.4Very high92.9Very high0 Ų028 Ų280%013%0.127CC..  trans-66.9161.1162.564.2-66000110.4F126 E128 L147 T173 L174 W230 K233N40-F126 WeakPolarHBondContact O-CD1 3.42Å; N40-E128 VanDerWaalsContact CA-OE1 3.27Å; N40-E128 WeakPolarHBondContact CA-OE1 3.32Å; N40-E128 WeakPolarHBondContact CB-OE1 3.47Å; N40-L147 HydrophobicContact CB-CD2 3.42Å; N40-L147 VanDerWaalsContact CB-CD2 3.42Å; N40-T173 WeakPolarHBondContact OD1-CA 3.16Å; N40-L174 PolarHBondContact ND2-O 3.39Å; N40-L174 PolarHBondContact OD1-N 3.29Å; N40-W230 HydrophobicContact CB-CZ2 4.44Å; N40-K233 HydrophobicContact CB-CD 4.01Å
41H94.2Very high92.7Very high22 Ų2226.3 Ų26.310%0.10212%0.115CC..  trans-133105.3-175.1-164.228000112.5S43 D46 F126 E128 R131 F132H41-S43 PolarHBondContact CE1-O 3.49Å; H41-S43 PolarHBondContact ND1-O 3.14Å; H41-D46 VanDerWaalsContact CA-OD2 3.27Å; H41-D46 WeakPolarHBondContact CA-OD2 3.37Å; H41-D46 IonicContact CE1-OD2 3.93Å; H41-D46 IonicContact CG-OD2 2.8Å; H41-D46 IonicContact ND1-OD2 3.77Å; H41-D46 PolarHBondContact ND1-OD2 3.07Å; H41-F126 HydrophobicContact CB-CB 3.93Å; H41-F126 HydrophobicContact CB-CD1 3.67Å; H41-F126 HydrophobicContact CB-CE1 4.46Å; H41-F126 HydrophobicContact CB-CG 3.97Å; H41-F126 AromaticContact CG-CD1 3.73Å; H41-F126 AromaticContact CG-CG 3.78Å; H41-F126 AromaticContact ND1-CD1 3.75Å; H41-F126 AromaticContact ND1-CE1 3.8Å; H41-F126 AromaticContact ND1-CG 4Å; H41-E128 PolarHBondContact N-OE1 2.94Å; H41-R131 PolarHBondContact CD2-N 3.23Å; H41-R131 VanDerWaalsContact NE2-CG 3.3Å; H41-R131 WeakPolarHBondContact NE2-CG 3.47Å; H41-R131 CarbonylContact O-C 3.54Å; H41-R131 WeakPolarHBondContact O-CA 3.47Å; H41-F132 PolarHBondContact O-N 3.27Å
42R92.2Very high92.5Very high34 Ų3422.1 Ų22.113%0.12810%0.098CC..  trans-97.8-45.4177.2-65-57.3-166.2178-0.6112.3D46 F132 N146 Y176R42-D46 PolarHBondContact N-OD2 2.88Å; R42-F132 VanDerWaalsContact NH1-CD2 3.26Å; R42-N146 PolarHBondContact NH1-O 3.44Å; R42-N146 PolarHBondContact NH2-O 3.04Å; R42-Y176 HydrophobicContact CB-CD2 4.34Å; R42-Y176 HydrophobicContact CB-CE2 4.25Å
43S91.5Very high92.6Very high8 Ų814.8 Ų14.86%0.0567%0.066CC..  trans-153.9175.3-165.278.80000112.9H41 A45 D46H41-S43 PolarHBondContact CE1-O 3.49Å; H41-S43 PolarHBondContact ND1-O 3.14Å; S43-A45 PolarHBondContact O-N 3.48Å; S43-A45 WeakPolarHBondContact OG-CB 3.44Å; S43-A45 PolarHBondContact OG-N 2.92Å; S43-D46 WeakPolarHBondContact CA-OD1 3.36Å; S43-D46 VanDerWaalsContact N-CG 3.29Å; S43-D46 PolarHBondContact N-OD1 3.41Å; S43-D46 PolarHBondContact N-OD2 3.43Å; S43-D46 WeakPolarHBondContact O-CB 3.23Å; S43-D46 PolarHBondContact O-N 2.96Å; S43-D46 VanDerWaalsContact O-OD1 3.13Å; S43-D46 VanDerWaalsContact O-OD2 3.13Å; S43-D46 PolarHBondContact OG-OD1 2.89Å
44W88.9Confident92.6Very high92 Ų9213 Ų1335%0.3486%0.057SC..THydrogen-bonded Turntrans-68.6-22.5167.8-75104.7000112.6D46 I47 L69 F184W44-D46 PolarHBondContact O-N 3.01Å; W44-I47 HydrophobicContact CE3-CD1 3.94Å; W44-I47 HydrophobicContact CZ3-CD1 4.02Å; W44-I47 PolarHBondContact O-N 3.24Å; W44-L69 HydrophobicContact CH2-CD2 4.08Å; W44-F184 HydrophobicContact CB-CB 4.18Å; W44-F184 HydrophobicContact CB-CD1 4.22Å; W44-F184 HydrophobicContact CB-CD2 3.51Å; W44-F184 HydrophobicContact CB-CE2 3.86Å; W44-F184 HydrophobicContact CB-CG 3.7Å; W44-F184 HydrophobicContact CB-CZ 4.36Å
45A91.9Very high92.5Very high0 Ų013.8 Ų13.80%06%0.06CC..Hα-helixtrans-61-28.3175.800000111S43 I47 V48 V49 Y176 P183 F184 M187S43-A45 PolarHBondContact O-N 3.48Å; S43-A45 WeakPolarHBondContact OG-CB 3.44Å; S43-A45 PolarHBondContact OG-N 2.92Å; A45-I47 VanDerWaalsContact C-N 3.28Å; A45-I47 PolarHBondContact O-N 3.26Å; A45-V48 WeakPolarHBondContact O-CB 3.29Å; A45-V48 PolarHBondContact O-N 3.14Å; A45-V49 WeakPolarHBondContact O-CB 3.39Å; A45-V49 VanDerWaalsContact O-CG2 3.31Å; A45-V49 WeakPolarHBondContact O-CG2 3.28Å; A45-V49 PolarHBondContact O-N 3.5Å; A45-Y176 VanDerWaalsContact C-OH 3.3Å; A45-Y176 HydrophobicContact CB-CE1 4.33Å; A45-P183 HydrophobicContact CB-CB 4.16Å; A45-F184 HydrophobicContact CB-CB 4.3Å; A45-F184 HydrophobicContact CB-CD2 4.41Å; A45-M187 HydrophobicContact CB-CE 4.25Å; A45-M187 HydrophobicContact CB-SD 3.94Å
46D93.2Very high92.2Very high0 Ų019.6 Ų19.60%09%0.085CC..Hα-helixtrans-55.3-44.4-179.7-49.44.6000111.6H41 R42 S43 W44 V49 L50 F126 L174 Y176H41-D46 VanDerWaalsContact CA-OD2 3.27Å; H41-D46 WeakPolarHBondContact CA-OD2 3.37Å; H41-D46 IonicContact CE1-OD2 3.93Å; H41-D46 IonicContact CG-OD2 2.8Å; H41-D46 IonicContact ND1-OD2 3.77Å; H41-D46 PolarHBondContact ND1-OD2 3.07Å; R42-D46 PolarHBondContact N-OD2 2.88Å; S43-D46 WeakPolarHBondContact CA-OD1 3.36Å; S43-D46 VanDerWaalsContact N-CG 3.29Å; S43-D46 PolarHBondContact N-OD1 3.41Å; S43-D46 PolarHBondContact N-OD2 3.43Å; S43-D46 WeakPolarHBondContact O-CB 3.23Å; S43-D46 PolarHBondContact O-N 2.96Å; S43-D46 VanDerWaalsContact O-OD1 3.13Å; S43-D46 VanDerWaalsContact O-OD2 3.13Å; S43-D46 PolarHBondContact OG-OD1 2.89Å; W44-D46 PolarHBondContact O-N 3.01Å; D46-V49 PolarHBondContact O-N 2.98Å; D46-L50 WeakPolarHBondContact O-CB 3.46Å; D46-L50 WeakPolarHBondContact O-CG 3.42Å; D46-L50 PolarHBondContact O-N 3.48Å; D46-F126 HydrophobicContact CB-CE1 3.98Å; D46-F126 HydrophobicContact CB-CZ 4.02Å; D46-L174 HydrophobicContact CB-CD1 3.67Å; D46-Y176 VanDerWaalsContact CA-OH 3.28Å; D46-Y176 WeakPolarHBondContact CA-OH 3.48Å; D46-Y176 PolarHBondContact N-OH 3.01Å; D46-Y176 VanDerWaalsContact N-OH 3.16Å; D46-Y176 VanDerWaalsContact OD1-CE2 3.28Å; D46-Y176 WeakPolarHBondContact OD1-CE2 3.43Å; D46-Y176 PolarHBondContact OD1-OH 3.36Å
47I89.5Confident92.1Very high28 Ų2822.6 Ų22.614%0.14410%0.099CC..Hα-helixtrans-65.2-42.7179.2-64.6173.4000110.4W44 A45 C51 Y63 F126W44-I47 HydrophobicContact CE3-CD1 3.94Å; W44-I47 HydrophobicContact CZ3-CD1 4.02Å; W44-I47 PolarHBondContact O-N 3.24Å; A45-I47 VanDerWaalsContact C-N 3.28Å; A45-I47 PolarHBondContact O-N 3.26Å; I47-C51 VanDerWaalsContact O-CB 3.27Å; I47-C51 WeakPolarHBondContact O-CB 3.41Å; I47-C51 PolarHBondContact O-N 3.17Å; I47-C51 PolarHBondContact O-SG 3.25Å; I47-Y63 HydrophobicContact CG1-CE1 4.08Å; I47-Y63 HydrophobicContact CG2-CE1 4.24Å; I47-Y63 HydrophobicContact CG2-CE2 4.22Å; I47-Y63 PolarHBondContact O-OH 3.38Å; I47-F126 HydrophobicContact CD1-CE2 4.27Å; I47-F126 HydrophobicContact CG1-CE2 3.71Å; I47-F126 HydrophobicContact CG1-CZ 3.87Å
48V88.9Confident92Very high11 Ų1122.8 Ų22.87%0.06710%0.1CC..Hα-helixtrans-65.2-47.3179.3171.90000110.5L9 L13 A45 C51 V52 M187L9-V48 HydrophobicContact CB-CG1 4.2Å; L9-V48 HydrophobicContact CD1-CB 4.47Å; L9-V48 HydrophobicContact CD1-CG1 4.06Å; L9-V48 HydrophobicContact CD1-CG2 4.15Å; L9-V48 HydrophobicContact CD2-CG1 4.06Å; L9-V48 HydrophobicContact CD2-CG2 4.31Å; L9-V48 HydrophobicContact CG-CG1 4.35Å; L13-V48 HydrophobicContact CD1-CG1 4.16Å; A45-V48 WeakPolarHBondContact O-CB 3.29Å; A45-V48 PolarHBondContact O-N 3.14Å; V48-C51 PolarHBondContact O-N 3.39Å; V48-V52 HydrophobicContact CG1-CG2 4.42Å; V48-V52 WeakPolarHBondContact O-CG2 3.43Å; V48-V52 PolarHBondContact O-N 3Å; V48-M187 HydrophobicContact CB-CE 3.99Å; V48-M187 HydrophobicContact CB-SD 4Å; V48-M187 HydrophobicContact CG1-CE 3.99Å; V48-M187 HydrophobicContact CG1-SD 3.68Å; V48-M187 HydrophobicContact CG2-CE 3.88Å
49V92.8Very high91.6Very high0 Ų023.4 Ų23.40%010%0.104CC..Hα-helixtrans-59.3-50.3178.1168.70000110.8W21 A45 D46 C51 V52 L53 L174 Y176 I195 V197W21-V49 HydrophobicContact CH2-CB 4.43Å; W21-V49 HydrophobicContact CH2-CG1 4.01Å; W21-V49 HydrophobicContact CH2-CG2 4.33Å; W21-V49 HydrophobicContact CZ3-CG1 3.82Å; A45-V49 WeakPolarHBondContact O-CB 3.39Å; A45-V49 VanDerWaalsContact O-CG2 3.31Å; A45-V49 WeakPolarHBondContact O-CG2 3.28Å; A45-V49 PolarHBondContact O-N 3.5Å; D46-V49 PolarHBondContact O-N 2.98Å; V49-C51 VanDerWaalsContact C-N 3.35Å; V49-C51 PolarHBondContact O-N 3.49Å; V49-V52 PolarHBondContact O-N 3.28Å; V49-L53 WeakPolarHBondContact O-CB 3.48Å; V49-L53 PolarHBondContact O-N 2.92Å; V49-L174 HydrophobicContact CG1-CD2 3.78Å; V49-Y176 HydrophobicContact CG2-CE1 4.05Å; V49-I195 HydrophobicContact CG1-CG2 3.74Å; V49-I195 HydrophobicContact CG2-CD1 3.88Å; V49-I195 HydrophobicContact CG2-CG1 4.45Å; V49-I195 HydrophobicContact CG2-CG2 4.17Å; V49-V197 HydrophobicContact CG1-CG2 3.98Å
50L93.1Very high90.9Very high0 Ų027.1 Ų27.10%012%0.122CC..Hα-helixtrans-59.6-46.4177.1-69174000111L37 D46 V52 F54 Y63 V124 F126 V172 L174L37-L50 HydrophobicContact CD2-CD1 4.33Å; L37-L50 HydrophobicContact CD2-CD2 4.47Å; D46-L50 WeakPolarHBondContact O-CB 3.46Å; D46-L50 WeakPolarHBondContact O-CG 3.42Å; D46-L50 PolarHBondContact O-N 3.48Å; L50-V52 PolarHBondContact O-N 3.13Å; L50-F54 HydrophobicContact CB-CD2 4.38Å; L50-F54 HydrophobicContact CD2-CD2 3.92Å; L50-F54 HydrophobicContact CD2-CE2 3.59Å; L50-F54 VanDerWaalsContact O-CB 3.24Å; L50-F54 WeakPolarHBondContact O-CB 3.28Å; L50-F54 WeakPolarHBondContact O-CD2 3.28Å; L50-F54 PolarHBondContact O-N 2.86Å; L50-Y63 HydrophobicContact CD1-CE1 4.44Å; L50-V124 HydrophobicContact CD1-CG1 4.2Å; L50-F126 HydrophobicContact CD1-CE1 4.04Å; L50-F126 HydrophobicContact CD1-CZ 3.86Å; L50-V172 HydrophobicContact CD2-CG1 3.91Å; L50-L174 HydrophobicContact CD1-CD1 4.4Å; L50-L174 HydrophobicContact CD2-CD1 4.21Å; L50-L174 HydrophobicContact CD2-CD2 4.5Å; L50-L174 HydrophobicContact CG-CD1 4.07Å
51C89.3Confident90.2Very high4 Ų427.5 Ų27.53%0.02712%0.124CC..Hα-helixtrans-60.1-46178.8-76.60000112.5W5 I47 V48 V49 R55 Y63W5-C51 HydrophobicContact CZ3-CB 4.17Å; I47-C51 VanDerWaalsContact O-CB 3.27Å; I47-C51 WeakPolarHBondContact O-CB 3.41Å; I47-C51 PolarHBondContact O-N 3.17Å; I47-C51 PolarHBondContact O-SG 3.25Å; V48-C51 PolarHBondContact O-N 3.39Å; V49-C51 VanDerWaalsContact C-N 3.35Å; V49-C51 PolarHBondContact O-N 3.49Å; C51-R55 WeakPolarHBondContact O-CB 3.31Å; C51-R55 PolarHBondContact O-N 2.87Å; C51-Y63 PolarHBondContact SG-OH 3.19Å
52V90.2Very high89.6Confident8 Ų827.9 Ų27.95%0.04813%0.126CC..Hα-helixtrans-69-45.9-179.3170.60000111.3L9 A10 L13 W21 V48 V49 L50 R55L9-V52 HydrophobicContact CB-CG2 3.69Å; A10-V52 HydrophobicContact CB-CG1 3.79Å; A10-V52 HydrophobicContact CB-CG2 4.23Å; L13-V52 HydrophobicContact CD1-CB 4.23Å; L13-V52 HydrophobicContact CD1-CG1 4.22Å; L13-V52 HydrophobicContact CD1-CG2 3.94Å; W21-V52 HydrophobicContact CH2-CG1 4.3Å; W21-V52 HydrophobicContact CZ2-CG1 4.34Å; V48-V52 HydrophobicContact CG1-CG2 4.42Å; V48-V52 WeakPolarHBondContact O-CG2 3.43Å; V48-V52 PolarHBondContact O-N 3Å; V49-V52 PolarHBondContact O-N 3.28Å; L50-V52 PolarHBondContact O-N 3.13Å; V52-R55 WeakPolarHBondContact O-CD 3.26Å; V52-R55 WeakPolarHBondContact O-CG 3.11Å; V52-R55 PolarHBondContact O-NH1 3.3Å
53L92.9Very high88.9Confident17 Ų1726.7 Ų26.79%0.08912%0.121CC..Hα-helixtrans-63.5-48.3-177.1-17963000111.7W21 V23 L26 V49 H57 V197W21-L53 HydrophobicContact CZ3-CB 4.24Å; W21-L53 HydrophobicContact CZ3-CD1 4.34Å; V23-L53 HydrophobicContact CB-CD1 4.44Å; V23-L53 HydrophobicContact CG1-CD1 3.95Å; V23-L53 HydrophobicContact CG1-CD2 4.08Å; V23-L53 HydrophobicContact CG2-CD1 3.79Å; L26-L53 HydrophobicContact CD1-CD1 4.18Å; L26-L53 HydrophobicContact CD2-CD1 4.44Å; L26-L53 HydrophobicContact CD2-CD2 4.46Å; L26-L53 HydrophobicContact CD2-CG 4.34Å; V49-L53 WeakPolarHBondContact O-CB 3.48Å; V49-L53 PolarHBondContact O-N 2.92Å; L53-H57 PolarHBondContact O-ND1 2.91Å; L53-V197 HydrophobicContact CD2-CB 3.92Å; L53-V197 HydrophobicContact CD2-CG1 3.58Å; L53-V197 HydrophobicContact CD2-CG2 4Å
54F93.4Very high87.9Confident2 Ų227.1 Ų27.11%0.00912%0.122CC..Hα-helixtrans-88.5-8.5-169-79.7-56.6000114.6L26 L29 L37 L50 K56 H57 I58 V172 V199L26-F54 HydrophobicContact CD2-CD1 4.49Å; L26-F54 HydrophobicContact CD2-CE1 3.98Å; L29-F54 HydrophobicContact CD1-CD1 4.18Å; L29-F54 HydrophobicContact CD1-CE1 3.75Å; L37-F54 HydrophobicContact CD1-CD2 4.12Å; L37-F54 HydrophobicContact CD1-CE2 3.79Å; L37-F54 HydrophobicContact CD1-CZ 4.29Å; L50-F54 HydrophobicContact CB-CD2 4.38Å; L50-F54 HydrophobicContact CD2-CD2 3.92Å; L50-F54 HydrophobicContact CD2-CE2 3.59Å; L50-F54 VanDerWaalsContact O-CB 3.24Å; L50-F54 WeakPolarHBondContact O-CB 3.28Å; L50-F54 WeakPolarHBondContact O-CD2 3.28Å; L50-F54 PolarHBondContact O-N 2.86Å; F54-K56 PolarHBondContact O-N 3.5Å; F54-H57 HydrophobicContact CD1-CB 4.33Å; F54-H57 PolarHBondContact O-N 3.43Å; F54-I58 HydrophobicContact CB-CD1 3.56Å; F54-I58 HydrophobicContact CB-CG1 3.5Å; F54-I58 HydrophobicContact CD1-CD1 3.51Å; F54-I58 HydrophobicContact CD1-CG1 3.78Å; F54-I58 HydrophobicContact CD1-CG2 4.23Å; F54-I58 HydrophobicContact CD2-CD1 4.04Å; F54-I58 HydrophobicContact CE1-CD1 4.2Å; F54-I58 HydrophobicContact CG-CD1 3.41Å; F54-I58 VanDerWaalsContact CG-CD1 3.41Å; F54-I58 HydrophobicContact CG-CG1 3.81Å; F54-I58 PolarHBondContact O-N 3.28Å; F54-I58 VanDerWaalsContact O-N 3.16Å; F54-V172 HydrophobicContact CE2-CG2 4.07Å; F54-V172 HydrophobicContact CZ-CG2 3.93Å; F54-V199 HydrophobicContact CE1-CG1 4.37Å; F54-V199 HydrophobicContact CE1-CG2 4.19Å; F54-V199 HydrophobicContact CZ-CG1 4.13Å; F54-V199 HydrophobicContact CZ-CG2 3.62Å
55R88.5Confident86.9Confident63 Ų6323.6 Ų23.624%0.23811%0.11CC..THydrogen-bonded Turntrans-52.6-28.1-175.577.2-165.8-168.3-95.313.4115.1C6 E7 K31 C51 V52C6-R55 HydrophobicContact CB-CB 4.29Å; E7-R55 WeakPolarHBondContact OE1-CD 3.19Å; E7-R55 IonicContact OE1-CZ 2.87Å; E7-R55 IonicContact OE1-NE 2.78Å; E7-R55 PolarHBondContact OE1-NE 3.38Å; E7-R55 IonicContact OE1-NH2 3.87Å; E7-R55 IonicContact OE2-CZ 2.91Å; E7-R55 IonicContact OE2-NE 3.7Å; E7-R55 PolarHBondContact OE2-NE 2.95Å; E7-R55 IonicContact OE2-NH2 3.79Å; E7-R55 PolarHBondContact OE2-NH2 3.21Å; K31-R55 VanDerWaalsContact CE-O 3.25Å; K31-R55 WeakPolarHBondContact CE-O 3.49Å; K31-R55 PolarHBondContact NZ-O 2.89Å; C51-R55 WeakPolarHBondContact O-CB 3.31Å; C51-R55 PolarHBondContact O-N 2.87Å; V52-R55 WeakPolarHBondContact O-CD 3.26Å; V52-R55 WeakPolarHBondContact O-CG 3.11Å; V52-R55 PolarHBondContact O-NH1 3.3Å
56K88.6Confident85.6Confident122 Ų12227.3 Ų27.353%0.5313%0.126SC..THydrogen-bonded Turntrans-103.1-8.6179.6-61.8-170.1-179.9177.40114K31 F54K31-K56 VanDerWaalsContact CE-O 3.26Å; K31-K56 WeakPolarHBondContact CE-O 3.48Å; F54-K56 PolarHBondContact O-N 3.5Å
57H92.5Very high84Confident64 Ų6430.9 Ų30.930%0.29614%0.143SC..THydrogen-bonded Turntrans-111.1-37.9-167.3-59.298.6000113.8L29 S30 K31 L53 F54L29-H57 CarbonylContact C-O 3.57Å; L29-H57 HydrophobicContact CB-CB 4.12Å; L29-H57 HydrophobicContact CD1-CB 3.88Å; S30-H57 CarbonylContact C-O 3.57Å; S30-H57 PolarHBondContact N-O 3.15Å; K31-H57 PolarHBondContact N-O 2.9Å; L53-H57 PolarHBondContact O-ND1 2.91Å; F54-H57 HydrophobicContact CD1-CB 4.33Å; F54-H57 PolarHBondContact O-N 3.43Å
58I92.6Very high82.4Confident4 Ų436.9 Ų36.92%0.02117%0.17CC..SBendtrans-129.8161.8-176.461.3176.3000109.7L29 Y35 L37 F54 T122 L170L29-I58 HydrophobicContact CB-CG2 4.01Å; L29-I58 HydrophobicContact CD1-CG2 4.1Å; L29-I58 HydrophobicContact CD2-CG2 4.02Å; L29-I58 HydrophobicContact CG-CG2 4.27Å; Y35-I58 HydrophobicContact CD2-CB 4.07Å; Y35-I58 HydrophobicContact CD2-CG2 4.01Å; Y35-I58 HydrophobicContact CE2-CB 4Å; Y35-I58 HydrophobicContact CE2-CG2 3.71Å; L37-I58 HydrophobicContact CD1-CD1 4.19Å; F54-I58 HydrophobicContact CB-CD1 3.56Å; F54-I58 HydrophobicContact CB-CG1 3.5Å; F54-I58 HydrophobicContact CD1-CD1 3.51Å; F54-I58 HydrophobicContact CD1-CG1 3.78Å; F54-I58 HydrophobicContact CD1-CG2 4.23Å; F54-I58 HydrophobicContact CD2-CD1 4.04Å; F54-I58 HydrophobicContact CE1-CD1 4.2Å; F54-I58 HydrophobicContact CG-CD1 3.41Å; F54-I58 VanDerWaalsContact CG-CD1 3.41Å; F54-I58 HydrophobicContact CG-CG1 3.81Å; F54-I58 PolarHBondContact O-N 3.28Å; F54-I58 VanDerWaalsContact O-N 3.16Å; I58-T122 HydrophobicContact CD1-CG2 3.74Å; I58-L170 HydrophobicContact CD1-CD1 3.85Å; I58-L170 HydrophobicContact CG2-CD1 4.06Å
59P87.9Confident80.9Confident13 Ų1338.2 Ų38.28%0.08418%0.177CC..SBendtrans-65.9171.6174.830.3-37000111.5N33 Y35 N61 P120 T122N33-P59 WeakPolarHBondContact O-CD 3.17Å; N33-P59 WeakPolarHBondContact O-CG 3.41Å; Y35-P59 HydrophobicContact CD2-CG 4.42Å; P59-N61 PolarHBondContact O-N 3.27Å; P59-P120 HydrophobicContact CB-CB 4.05Å; P59-P120 WeakPolarHBondContact CB-O 3.47Å; P59-P120 HydrophobicContact CG-CB 4.11Å; P59-T122 PolarHBondContact O-OG1 2.82Å
60M81Confident79.3Confident78 Ų7840 Ų4038%0.38419%0.192SC..PPolyproline II helixtrans-53.8131.9-171.8-163.163.980.200112.9M2 K62 T122M2-M60 HydrophobicContact CB-CE 3.75Å; M2-M60 HydrophobicContact CB-SD 4.05Å; M2-M60 HydrophobicContact CE-CG 3.95Å; M2-M60 HydrophobicContact CE-SD 3.49Å; M2-M60 WeakPolarHBondContact CE-SD 3.36Å; M2-M60 HydrophobicContact CG-CE 3.88Å; M2-M60 HydrophobicContact CG-CG 4.41Å; M2-M60 HydrophobicContact CG-SD 3.49Å; M2-M60 WeakPolarHBondContact CG-SD 3.37Å; M2-M60 HydrophobicContact SD-CE 4.15Å; M2-M60 HydrophobicContact SD-CG 3.45Å; M2-M60 WeakPolarHBondContact SD-CG 3.23Å; M2-M60 HydrophobicContact SD-SD 3.24Å; M60-K62 PolarHBondContact O-N 3Å; M60-T122 PolarHBondContact O-N 3.01Å
61N82Confident77.7Confident7 Ų750 Ų504%0.03723%0.23CC..EExtended strand (participates in β ladder)trans-73.6124.7178.4-64.2-5.1000110.5M2 P59 Y63 T122 V124M2-N61 HydrophobicContact CE-CB 4.49Å; M2-N61 WeakPolarHBondContact CE-O 3.43Å; P59-N61 PolarHBondContact O-N 3.27Å; N61-Y63 HydrophobicContact CB-CD2 4.49Å; N61-Y63 HydrophobicContact CB-CE2 3.75Å; N61-T122 CarbonylContact C-O 3.32Å; N61-T122 WeakPolarHBondContact CA-O 3.32Å; N61-V124 HydrophobicContact CB-CG2 3.85Å
62K81Confident76.2Confident31 Ų3153 Ų5314%0.13525%0.247CC..EExtended strand (participates in β ladder)trans-113.5125.4168.1-61.6-172-169.5-100.80108.7M60 L82 F116 T121 T122 I123 V124M60-K62 PolarHBondContact O-N 3Å; K62-L82 PolarHBondContact NZ-O 3.3Å; K62-F116 HydrophobicContact CB-CZ 4.41Å; K62-F116 HydrophobicContact CD-CD1 3.52Å; K62-F116 HydrophobicContact CD-CD2 4.41Å; K62-F116 HydrophobicContact CD-CE1 3.09Å; K62-F116 HydrophobicContact CD-CE2 4.04Å; K62-F116 HydrophobicContact CD-CG 4.2Å; K62-F116 HydrophobicContact CD-CZ 3.38Å; K62-F116 VanDerWaalsContact CE-CE1 3.5Å; K62-T121 HydrophobicContact CB-CG2 4.33Å; K62-T121 HydrophobicContact CD-CG2 3.67Å; K62-T121 HydrophobicContact CG-CG2 3.92Å; K62-T122 PolarHBondContact N-O 2.88Å; K62-I123 CarbonylContact O-C 3.51Å; K62-I123 WeakPolarHBondContact O-CA 3.31Å; K62-V124 PolarHBondContact O-N 3.44Å
63Y77.5Confident74.5Confident9 Ų957.3 Ų57.34%0.03528%0.276CS..EExtended strand (participates in β ladder)trans-96.8139.3-172.5-66.4-98.4000110.8I47 L50 C51 N61 L65 M84 P85 V124 F126I47-Y63 HydrophobicContact CG1-CE1 4.08Å; I47-Y63 HydrophobicContact CG2-CE1 4.24Å; I47-Y63 HydrophobicContact CG2-CE2 4.22Å; I47-Y63 PolarHBondContact O-OH 3.38Å; L50-Y63 HydrophobicContact CD1-CE1 4.44Å; C51-Y63 PolarHBondContact SG-OH 3.19Å; N61-Y63 HydrophobicContact CB-CD2 4.49Å; N61-Y63 HydrophobicContact CB-CE2 3.75Å; Y63-L65 PolarHBondContact O-N 3.05Å; Y63-L65 VanDerWaalsContact O-N 3.1Å; Y63-M84 HydrophobicContact CD2-CE 3.67Å; Y63-M84 HydrophobicContact CD2-SD 4.26Å; Y63-M84 HydrophobicContact CE2-CE 4.48Å; Y63-P85 WeakPolarHBondContact O-CD 3.4Å; Y63-V124 HydrophobicContact CD1-CB 3.55Å; Y63-V124 HydrophobicContact CD1-CG1 3.49Å; Y63-V124 VanDerWaalsContact CD1-CG1 3.49Å; Y63-V124 HydrophobicContact CD1-CG2 4.24Å; Y63-V124 HydrophobicContact CE1-CB 3.71Å; Y63-V124 HydrophobicContact CE1-CG1 3.44Å; Y63-V124 VanDerWaalsContact CE1-CG1 3.44Å; Y63-V124 HydrophobicContact CE1-CG2 3.98Å; Y63-V124 HydrophobicContact CG-CB 4.13Å; Y63-F126 AromaticContact CD1-CE2 3.81Å; Y63-F126 HydrophobicContact CD1-CE2 3.81Å; Y63-F126 AromaticContact CE1-CE2 3.89Å; Y63-F126 HydrophobicContact CE1-CE2 3.89Å; Y63-F126 HydrophobicContact CE1-CZ 4.18Å
64F71Confident73.1Confident16 Ų1664.8 Ų64.87%0.0731%0.308CS..  trans-70.1100.4164.7-91.7-61.3000110.7P85 M87 T109 I123 V124 N125 A158F64-P85 HydrophobicContact CD1-CB 3.88Å; F64-P85 HydrophobicContact CD1-CG 3.63Å; F64-P85 HydrophobicContact CE1-CB 3.74Å; F64-P85 HydrophobicContact CE1-CG 3.71Å; F64-P85 HydrophobicContact CG-CG 4.19Å; F64-P85 HydrophobicContact CZ-CG 4.35Å; F64-M87 HydrophobicContact CB-CE 3.51Å; F64-M87 HydrophobicContact CD1-CE 3.4Å; F64-M87 HydrophobicContact CD1-CG 3.89Å; F64-M87 HydrophobicContact CD1-SD 3.65Å; F64-M87 HydrophobicContact CE1-CE 4.27Å; F64-M87 HydrophobicContact CE1-CG 4.26Å; F64-M87 HydrophobicContact CE1-SD 3.96Å; F64-M87 HydrophobicContact CG-CE 3.59Å; F64-M87 HydrophobicContact CG-SD 4.33Å; F64-T109 HydrophobicContact CE1-CG2 3.58Å; F64-T109 HydrophobicContact CZ-CG2 4.17Å; F64-I123 HydrophobicContact CD2-CG2 3.46Å; F64-I123 VanDerWaalsContact CD2-CG2 3.46Å; F64-I123 HydrophobicContact CE2-CG2 3.16Å; F64-I123 HydrophobicContact CG-CG2 4.47Å; F64-I123 HydrophobicContact CZ-CG2 3.96Å; F64-V124 PolarHBondContact N-O 2.79Å; F64-N125 HydrophobicContact CD2-CB 4.1Å; F64-A158 HydrophobicContact CE2-CB 3.63Å; F64-A158 HydrophobicContact CZ-CB 3.76Å
65L66.4Low71.6Confident19 Ų1967.4 Ų67.410%0.09932%0.322CS..EExtended strand (participates in β ladder)trans-95.9146.4-175.2-64.4177.1000111.9Y63 L69 C79 M84 P85 F86 M87Y63-L65 PolarHBondContact O-N 3.05Å; Y63-L65 VanDerWaalsContact O-N 3.1Å; L65-L69 HydrophobicContact CB-CD1 4.43Å; L65-L69 HydrophobicContact CD2-CD1 3.88Å; L65-C79 HydrophobicContact CD1-CB 3.82Å; L65-C79 WeakPolarHBondContact CD1-SG 3.43Å; L65-M84 HydrophobicContact CD1-CB 3.95Å; L65-M84 HydrophobicContact CD1-CG 4.32Å; L65-M84 HydrophobicContact CD1-SD 3.43Å; L65-M84 WeakPolarHBondContact CD1-SD 3.3Å; L65-M84 HydrophobicContact CD2-SD 4.5Å; L65-M84 HydrophobicContact CG-SD 3.96Å; L65-P85 PolarHBondContact N-O 2.92Å; L65-F86 HydrophobicContact CB-CD1 3.78Å; L65-F86 HydrophobicContact CB-CE1 3.88Å; L65-F86 HydrophobicContact CD1-CE1 3.9Å; L65-F86 HydrophobicContact CD1-CZ 4.27Å; L65-F86 WeakPolarHBondContact O-CA 3.5Å; L65-M87 PolarHBondContact O-N 3.46Å
66K65.3Low70.2Confident77 Ų7765.2 Ų65.234%0.33532%0.318SS..EExtended strand (participates in β ladder)trans-66.4136.6164.9-69.4-177.4-179.5179.20108.4Q68 L69 R89 G129K66-Q68 PolarHBondContact O-N 2.93Å; K66-L69 HydrophobicContact CB-CD1 4.48Å; K66-L69 WeakPolarHBondContact O-CB 3.43Å; K66-L69 PolarHBondContact O-N 2.96Å; K66-R89 VanDerWaalsContact CE-NH1 3.34Å; K66-G129 WeakPolarHBondContact CE-O 3.36Å; K66-G129 PolarHBondContact NZ-O 2.93Å
67Q60Low69Low75 Ų7565 Ų6535%0.3532%0.322SS..G310 helixtrans-51.8-31.8176.1-161.2-163.10.100113.2L69 A70 M87 K88Q67-L69 PolarHBondContact O-N 3.44Å; Q67-A70 WeakPolarHBondContact O-CB 3.34Å; Q67-A70 PolarHBondContact O-N 3.27Å; Q67-A70 VanDerWaalsContact O-N 3.08Å; Q67-M87 PolarHBondContact N-O 3.29Å; Q67-M87 VanDerWaalsContact N-O 3.14Å; Q67-K88 HydrophobicContact CB-CG 4.32Å; Q67-K88 VanDerWaalsContact CD-CE 3.4Å; Q67-K88 HydrophobicContact CG-CG 4.36Å; Q67-K88 VanDerWaalsContact NE2-CE 3.29Å; Q67-K88 VanDerWaalsContact OE1-CE 3.22Å; Q67-K88 VanDerWaalsContact OE1-CG 3.23Å
68Q55.9Low67.6Low154 Ų15464.2 Ų64.272%0.7233%0.327SS*.G310 helixtrans-58.7-29.5176.9-70.4175.9-26.400113.6K66 A70 W71K66-Q68 PolarHBondContact O-N 2.93Å; Q68-A70 PolarHBondContact O-N 3.01Å; Q68-W71 PolarHBondContact O-N 3.01Å
69L58.1Low66.3Low40 Ų4064.3 Ų64.321%0.20933%0.328CS..G310 helixtrans-71.2-19.3178.9-71.1169.7000112.8W44 L65 K66 Q67 W71 V72 L75W44-L69 HydrophobicContact CH2-CD2 4.08Å; L65-L69 HydrophobicContact CB-CD1 4.43Å; L65-L69 HydrophobicContact CD2-CD1 3.88Å; K66-L69 HydrophobicContact CB-CD1 4.48Å; K66-L69 WeakPolarHBondContact O-CB 3.43Å; K66-L69 PolarHBondContact O-N 2.96Å; Q67-L69 PolarHBondContact O-N 3.44Å; L69-W71 PolarHBondContact O-N 3.38Å; L69-V72 HydrophobicContact CD2-CG2 4.32Å; L69-V72 PolarHBondContact O-N 3.03Å; L69-L75 HydrophobicContact CB-CD2 4.06Å; L69-L75 HydrophobicContact CD2-CD2 3.98Å
70A58.5Low65.2Low38 Ų3872.9 Ų72.931%0.31436%0.359SS..G310 helixtrans-62.3-23.6175.100000112.6Q67 Q68 G76 F86Q67-A70 WeakPolarHBondContact O-CB 3.34Å; Q67-A70 PolarHBondContact O-N 3.27Å; Q67-A70 VanDerWaalsContact O-N 3.08Å; Q68-A70 PolarHBondContact O-N 3.01Å; A70-G76 WeakPolarHBondContact O-CA 3.49Å; A70-F86 HydrophobicContact CB-CD1 4.1Å; A70-F86 HydrophobicContact CB-CE1 3.55Å; A70-F86 HydrophobicContact CB-CE2 4.4Å; A70-F86 HydrophobicContact CB-CZ 3.7Å
71W58.5Low64.4Low209 Ų20972.2 Ų72.279%0.79237%0.366SS*.G310 helixtrans-88.5-7.4-178.4-6098.5000113.7Q68 L69 P73Q68-W71 PolarHBondContact O-N 3.01Å; L69-W71 PolarHBondContact O-N 3.38Å; W71-P73 WeakPolarHBondContact O-CD 3.39Å
72V59.4Low63.5Low66 Ų6673.8 Ų73.840%0.437%0.374SS..SBendtrans-74.7123.7176.8179.40000108.2L69 F74 L75 G76L69-V72 HydrophobicContact CD2-CG2 4.32Å; L69-V72 PolarHBondContact O-N 3.03Å; V72-F74 PolarHBondContact O-N 3.41Å; V72-L75 HydrophobicContact CB-CB 3.85Å; V72-L75 HydrophobicContact CB-CD2 4.18Å; V72-L75 HydrophobicContact CG1-CB 3.93Å; V72-L75 HydrophobicContact CG1-CD2 4.46Å; V72-L75 PolarHBondContact O-N 3.43Å; V72-G76 PolarHBondContact O-N 3.22Å
73P54.2Low62.9Low99 Ų9975.3 Ų75.364%0.64338%0.384SS*.THydrogen-bonded Turntrans-52.4140.8-180-26.634.4000111.7W71 L75W71-P73 WeakPolarHBondContact O-CD 3.39Å; P73-L75 PolarHBondContact O-N 2.86Å
74F62Low62.4Low174 Ų17475.8 Ų75.876%0.76339%0.386SS*.THydrogen-bonded Turntrans65.3-37.2-174.2-46-75.7000115.7V72 L77 A78V72-F74 PolarHBondContact O-N 3.41Å; F74-L77 PolarHBondContact O-N 3.25Å; F74-A78 PolarHBondContact O-N 2.73Å
75L62.2Low62.1Low58 Ų5875 Ų7530%0.30438%0.383SS..Hα-helixtrans-63.2-46.7176.8-151.683.4000110.2L69 V72 P73 L77 A78 C79L69-L75 HydrophobicContact CB-CD2 4.06Å; L69-L75 HydrophobicContact CD2-CD2 3.98Å; V72-L75 HydrophobicContact CB-CB 3.85Å; V72-L75 HydrophobicContact CB-CD2 4.18Å; V72-L75 HydrophobicContact CG1-CB 3.93Å; V72-L75 HydrophobicContact CG1-CD2 4.46Å; V72-L75 PolarHBondContact O-N 3.43Å; P73-L75 PolarHBondContact O-N 2.86Å; L75-L77 VanDerWaalsContact C-N 3.31Å; L75-L77 PolarHBondContact O-N 3.43Å; L75-A78 PolarHBondContact O-N 2.72Å; L75-C79 WeakPolarHBondContact O-CB 3.42Å; L75-C79 PolarHBondContact O-N 2.88Å; L75-C79 PolarHBondContact O-SG 3.29Å
76G60.4Low62Low16 Ų1676.1 Ų76.117%0.16539%0.387CS..Hα-helixtrans-55.7-43.4177.200000113.1A70 V72 C79 W80A70-G76 WeakPolarHBondContact O-CA 3.49Å; V72-G76 PolarHBondContact O-N 3.22Å; G76-C79 PolarHBondContact O-N 2.97Å; G76-W80 WeakPolarHBondContact O-CB 3.38Å; G76-W80 PolarHBondContact O-N 2.66Å
77L63.5Low61.9Low117 Ų11772.8 Ų72.861%0.61337%0.373SS*.Hα-helixtrans-65.6-45.1176.3-75.4167.2000112F74 L75 C79 W80 A81F74-L77 PolarHBondContact O-N 3.25Å; L75-L77 VanDerWaalsContact C-N 3.31Å; L75-L77 PolarHBondContact O-N 3.43Å; L77-C79 VanDerWaalsContact C-N 3.3Å; L77-C79 PolarHBondContact O-N 3.34Å; L77-W80 PolarHBondContact O-N 2.88Å; L77-A81 VanDerWaalsContact O-CB 3.31Å; L77-A81 WeakPolarHBondContact O-CB 3.16Å; L77-A81 PolarHBondContact O-N 3.16Å
78A61.5Low61.9Low48 Ų4872.4 Ų72.440%0.39737%0.37SS..Hα-helixtrans-61.5-41.4176.200000111.4F74 L75 A81 L82F74-A78 PolarHBondContact O-N 2.73Å; L75-A78 PolarHBondContact O-N 2.72Å; A78-A81 PolarHBondContact O-N 2.79Å; A78-L82 WeakPolarHBondContact O-CB 3.39Å; A78-L82 WeakPolarHBondContact O-CD1 3.41Å; A78-L82 WeakPolarHBondContact O-CG 3.42Å; A78-L82 PolarHBondContact O-N 2.95Å
79C65.8Low62.3Low6 Ų670 Ų704%0.04135%0.354CS..Hα-helixtrans-67.7-41178.4-62.60000111.9L65 L75 G76 L77 L82 D83 M84 F86L65-C79 HydrophobicContact CD1-CB 3.82Å; L65-C79 WeakPolarHBondContact CD1-SG 3.43Å; L75-C79 WeakPolarHBondContact O-CB 3.42Å; L75-C79 PolarHBondContact O-N 2.88Å; L75-C79 PolarHBondContact O-SG 3.29Å; G76-C79 PolarHBondContact O-N 2.97Å; L77-C79 VanDerWaalsContact C-N 3.3Å; L77-C79 PolarHBondContact O-N 3.34Å; C79-L82 CarbonylContact O-C 3.59Å; C79-L82 PolarHBondContact O-N 3.43Å; C79-D83 PolarHBondContact O-N 2.99Å; C79-M84 HydrophobicContact CB-CB 4.23Å; C79-M84 HydrophobicContact CB-CG 4.43Å; C79-M84 HydrophobicContact CB-SD 4.5Å; C79-M84 PolarHBondContact O-N 2.98Å; C79-F86 HydrophobicContact CB-CE1 4.31Å; C79-F86 HydrophobicContact CB-CE2 4.08Å; C79-F86 HydrophobicContact CB-CZ 3.45Å; C79-F86 VanDerWaalsContact CB-CZ 3.45Å
80W66Low62.4Low194 Ų19470.5 Ų70.574%0.73535%0.354SS*.Hα-helixtrans-62.3-47.8173.7175.781.7000111.3G76 L77 L82 D83G76-W80 WeakPolarHBondContact O-CB 3.38Å; G76-W80 PolarHBondContact O-N 2.66Å; L77-W80 PolarHBondContact O-N 2.88Å; W80-L82 PolarHBondContact O-N 2.82Å; W80-D83 PolarHBondContact O-N 2.68Å
81A63.3Low62.6Low63 Ų6372 Ų7252%0.52136%0.361SS..Hα-helixtrans-63.2-23.817800000113.2L77 A78L77-A81 VanDerWaalsContact O-CB 3.31Å; L77-A81 WeakPolarHBondContact O-CB 3.16Å; L77-A81 PolarHBondContact O-N 3.16Å; A78-A81 PolarHBondContact O-N 2.79Å
82L63.4Low62.8Low40 Ų4072 Ų7221%0.20936%0.361CS..THydrogen-bonded Turntrans-95.96.4177.3-67.8172.3000113.3M2 K62 A78 C79 W80 M84M2-L82 HydrophobicContact CB-CD2 4.01Å; M2-L82 HydrophobicContact CG-CD1 4.49Å; M2-L82 HydrophobicContact CG-CD2 4.35Å; M2-L82 HydrophobicContact SD-CD1 3.48Å; M2-L82 WeakPolarHBondContact SD-CD1 3.47Å; M2-L82 HydrophobicContact SD-CD2 3.43Å; M2-L82 WeakPolarHBondContact SD-CD2 3.24Å; M2-L82 HydrophobicContact SD-CG 4.1Å; K62-L82 PolarHBondContact NZ-O 3.3Å; A78-L82 WeakPolarHBondContact O-CB 3.39Å; A78-L82 WeakPolarHBondContact O-CD1 3.41Å; A78-L82 WeakPolarHBondContact O-CG 3.42Å; A78-L82 PolarHBondContact O-N 2.95Å; C79-L82 CarbonylContact O-C 3.59Å; C79-L82 PolarHBondContact O-N 3.43Å; W80-L82 PolarHBondContact O-N 2.82Å; L82-M84 HydrophobicContact CB-CE 4.13Å; L82-M84 HydrophobicContact CB-CG 3.87Å; L82-M84 HydrophobicContact CD1-CE 3.57Å; L82-M84 PolarHBondContact O-N 3.48Å
83D67.5Low63Low64 Ų6471.8 Ų71.834%0.34237%0.367SS..THydrogen-bonded Turntrans48.536.7-173.3-75.2-69.8000112.4C79 W80 K115 F116C79-D83 PolarHBondContact O-N 2.99Å; W80-D83 PolarHBondContact O-N 2.68Å; D83-K115 IonicContact OD1-NZ 3.78Å; D83-K115 PolarHBondContact OD1-NZ 3.44Å; D83-F116 HydrophobicContact CB-CE1 4.08Å; D83-F116 WeakPolarHBondContact O-CE1 3.11Å; D83-F116 WeakPolarHBondContact O-CZ 3.24Å
84M68.4Low63.7Low19 Ų1970.5 Ų70.59%0.09435%0.35CS..PPolyproline II helixtrans-65.9136.8-175-68.9-156.9-179.900112Y63 L65 C79 L82 F86Y63-M84 HydrophobicContact CD2-CE 3.67Å; Y63-M84 HydrophobicContact CD2-SD 4.26Å; Y63-M84 HydrophobicContact CE2-CE 4.48Å; L65-M84 HydrophobicContact CD1-CB 3.95Å; L65-M84 HydrophobicContact CD1-CG 4.32Å; L65-M84 HydrophobicContact CD1-SD 3.43Å; L65-M84 WeakPolarHBondContact CD1-SD 3.3Å; L65-M84 HydrophobicContact CD2-SD 4.5Å; L65-M84 HydrophobicContact CG-SD 3.96Å; C79-M84 HydrophobicContact CB-CB 4.23Å; C79-M84 HydrophobicContact CB-CG 4.43Å; C79-M84 HydrophobicContact CB-SD 4.5Å; C79-M84 PolarHBondContact O-N 2.98Å; L82-M84 HydrophobicContact CB-CE 4.13Å; L82-M84 HydrophobicContact CB-CG 3.87Å; L82-M84 HydrophobicContact CD1-CE 3.57Å; L82-M84 PolarHBondContact O-N 3.48Å; M84-F86 WeakPolarHBondContact O-CD2 3.38Å; M84-F86 PolarHBondContact O-N 3.16Å
85P63Low63.8Low0 Ų063.9 Ų63.90%032%0.322CS..PPolyproline II helixtrans-72.7121.9177.328.2-30.7000110.5Y63 F64 L65 F116Y63-P85 WeakPolarHBondContact O-CD 3.4Å; F64-P85 HydrophobicContact CD1-CB 3.88Å; F64-P85 HydrophobicContact CD1-CG 3.63Å; F64-P85 HydrophobicContact CE1-CB 3.74Å; F64-P85 HydrophobicContact CE1-CG 3.71Å; F64-P85 HydrophobicContact CG-CG 4.19Å; F64-P85 HydrophobicContact CZ-CG 4.35Å; L65-P85 PolarHBondContact N-O 2.92Å; P85-F116 HydrophobicContact CG-CE2 4.22Å; P85-F116 HydrophobicContact CG-CZ 4.45Å
86F64.4Low64Low41 Ų4166.7 Ų66.718%0.1834%0.337CS..EExtended strand (participates in β ladder)trans-96.8122.6173.6-71.3-78.3000110.9L65 A70 C79 M84L65-F86 HydrophobicContact CB-CD1 3.78Å; L65-F86 HydrophobicContact CB-CE1 3.88Å; L65-F86 HydrophobicContact CD1-CE1 3.9Å; L65-F86 HydrophobicContact CD1-CZ 4.27Å; L65-F86 WeakPolarHBondContact O-CA 3.5Å; A70-F86 HydrophobicContact CB-CD1 4.1Å; A70-F86 HydrophobicContact CB-CE1 3.55Å; A70-F86 HydrophobicContact CB-CE2 4.4Å; A70-F86 HydrophobicContact CB-CZ 3.7Å; C79-F86 HydrophobicContact CB-CE1 4.31Å; C79-F86 HydrophobicContact CB-CE2 4.08Å; C79-F86 HydrophobicContact CB-CZ 3.45Å; C79-F86 VanDerWaalsContact CB-CZ 3.45Å; M84-F86 WeakPolarHBondContact O-CD2 3.38Å; M84-F86 PolarHBondContact O-N 3.16Å
87M63.9Low64.7Low8 Ų875.7 Ų75.74%0.03937%0.366CS..EExtended strand (participates in β ladder)trans-100.2129175.6-73.4-175.2-62.200112.7F64 L65 Q67 R89 D105F64-M87 HydrophobicContact CB-CE 3.51Å; F64-M87 HydrophobicContact CD1-CE 3.4Å; F64-M87 HydrophobicContact CD1-CG 3.89Å; F64-M87 HydrophobicContact CD1-SD 3.65Å; F64-M87 HydrophobicContact CE1-CE 4.27Å; F64-M87 HydrophobicContact CE1-CG 4.26Å; F64-M87 HydrophobicContact CE1-SD 3.96Å; F64-M87 HydrophobicContact CG-CE 3.59Å; F64-M87 HydrophobicContact CG-SD 4.33Å; L65-M87 PolarHBondContact O-N 3.46Å; Q67-M87 PolarHBondContact N-O 3.29Å; Q67-M87 VanDerWaalsContact N-O 3.14Å; M87-R89 PolarHBondContact O-N 2.9Å; M87-D105 WeakPolarHBondContact CA-OD1 3.26Å
88K60.2Low65.1Low66 Ų6673 Ų7329%0.28735%0.35SS..  trans-8892.4168.9-56.8-158.2-172.4-171.40110.7Q67 Y90 D105Q67-K88 HydrophobicContact CB-CG 4.32Å; Q67-K88 VanDerWaalsContact CD-CE 3.4Å; Q67-K88 HydrophobicContact CG-CG 4.36Å; Q67-K88 VanDerWaalsContact NE2-CE 3.29Å; Q67-K88 VanDerWaalsContact OE1-CE 3.22Å; Q67-K88 VanDerWaalsContact OE1-CG 3.23Å; K88-Y90 HydrophobicContact CB-CD2 4.46Å; K88-Y90 HydrophobicContact CB-CE2 3.94Å; K88-Y90 HydrophobicContact CD-CE2 4.48Å; K88-Y90 WeakPolarHBondContact CD-OH 3.37Å; K88-Y90 PolarHBondContact O-N 2.67Å; K88-D105 VanDerWaalsContact C-OD2 3.28Å; K88-D105 HydrophobicContact CB-CB 4.21Å; K88-D105 PolarHBondContact N-OD1 2.91Å; K88-D105 PolarHBondContact N-OD2 3.47Å
89R64.1Low65.3Low104 Ų10474.4 Ų74.439%0.39236%0.355SS..  trans-77.590.3175.6-63.4-177.2-177.3170.51.7111.2K66 M87 G129K66-R89 VanDerWaalsContact CE-NH1 3.34Å; M87-R89 PolarHBondContact O-N 2.9Å; R89-G129 PolarHBondContact NH1-O 3.11Å
90Y60.1Low65.5Low51 Ų5179.2 Ų79.220%0.238%0.377CS..  trans-73.9132.3170-63.9-63.3000110.6K88 Y94 L95 R101K88-Y90 HydrophobicContact CB-CD2 4.46Å; K88-Y90 HydrophobicContact CB-CE2 3.94Å; K88-Y90 HydrophobicContact CD-CE2 4.48Å; K88-Y90 WeakPolarHBondContact CD-OH 3.37Å; K88-Y90 PolarHBondContact O-N 2.67Å; Y90-Y94 AromaticContact CD1-CD1 3.26Å; Y90-Y94 HydrophobicContact CD1-CD1 3.26Å; Y90-Y94 AromaticContact CD1-CE1 3.16Å; Y90-Y94 HydrophobicContact CD1-CE1 3.16Å; Y90-Y94 HydrophobicContact CD1-CG 4.22Å; Y90-Y94 HydrophobicContact CE1-CD1 4.01Å; Y90-Y94 AromaticContact CE1-CE1 3.4Å; Y90-Y94 HydrophobicContact CE1-CE1 3.4Å; Y90-Y94 AromaticContact CG-CD1 3.8Å; Y90-Y94 HydrophobicContact CG-CD1 3.8Å; Y90-Y94 AromaticContact CG-CE1 3.97Å; Y90-Y94 HydrophobicContact CG-CE1 3.97Å; Y90-L95 HydrophobicContact CD2-CD2 3.97Å; Y90-L95 HydrophobicContact CG-CD2 3.91Å; Y90-R101 HydrophobicContact CD2-CB 4.16Å; Y90-R101 HydrophobicContact CE2-CB 3.93Å
91S62.6Low65.4Low68 Ų6873.8 Ų73.848%0.47636%0.356SS..  trans-67.1155.917670.20000110.8A93 Y94 L95S91-A93 PolarHBondContact O-N 3.02Å; S91-Y94 PolarHBondContact O-N 3.48Å; S91-Y94 VanDerWaalsContact OG-CB 3.3Å; S91-Y94 WeakPolarHBondContact OG-CB 3.45Å; S91-Y94 PolarHBondContact OG-N 3.42Å; S91-Y94 VanDerWaalsContact OG-N 3.11Å; S91-L95 WeakPolarHBondContact O-CG 3.27Å; S91-L95 PolarHBondContact O-N 2.96Å
92R62.7Low65.2Low209 Ų20978.2 Ų78.279%0.78936%0.359SS*.Hα-helixtrans-54.4-43.1175.9-173.5177.2-179.7178.2-1111.4L95 L96R92-L95 PolarHBondContact O-N 2.91Å; R92-L96 HydrophobicContact CG-CD1 4.38Å; R92-L96 VanDerWaalsContact O-CG 3.3Å; R92-L96 WeakPolarHBondContact O-CG 3.18Å; R92-L96 PolarHBondContact O-N 2.83Å
93A63.9Low65Low62 Ų6278.1 Ų78.151%0.51237%0.368SS..Hα-helixtrans-61.7-42176.200000112.5S91 L96 R97S91-A93 PolarHBondContact O-N 3.02Å; A93-L96 PolarHBondContact O-N 3.02Å; A93-R97 PolarHBondContact O-N 3.35Å
94Y68.2Low64.6Low73 Ų7380.5 Ų80.529%0.28638%0.376SS..Hα-helixtrans-66.7-42.7177.2-175.6-88.4000112.1Y90 S91 L96 R97 H98 R101Y90-Y94 AromaticContact CD1-CD1 3.26Å; Y90-Y94 HydrophobicContact CD1-CD1 3.26Å; Y90-Y94 AromaticContact CD1-CE1 3.16Å; Y90-Y94 HydrophobicContact CD1-CE1 3.16Å; Y90-Y94 HydrophobicContact CD1-CG 4.22Å; Y90-Y94 HydrophobicContact CE1-CD1 4.01Å; Y90-Y94 AromaticContact CE1-CE1 3.4Å; Y90-Y94 HydrophobicContact CE1-CE1 3.4Å; Y90-Y94 AromaticContact CG-CD1 3.8Å; Y90-Y94 HydrophobicContact CG-CD1 3.8Å; Y90-Y94 AromaticContact CG-CE1 3.97Å; Y90-Y94 HydrophobicContact CG-CE1 3.97Å; S91-Y94 PolarHBondContact O-N 3.48Å; S91-Y94 VanDerWaalsContact OG-CB 3.3Å; S91-Y94 WeakPolarHBondContact OG-CB 3.45Å; S91-Y94 PolarHBondContact OG-N 3.42Å; S91-Y94 VanDerWaalsContact OG-N 3.11Å; Y94-L96 VanDerWaalsContact C-N 3.27Å; Y94-L96 PolarHBondContact O-N 2.84Å; Y94-R97 PolarHBondContact O-N 2.86Å; Y94-R97 VanDerWaalsContact O-N 3.14Å; Y94-H98 HydrophobicContact CD1-CB 4.34Å; Y94-H98 AromaticContact CD2-ND1 3.82Å; Y94-H98 HydrophobicContact CE1-CB 3.96Å; Y94-H98 AromaticContact CE1-ND1 3.93Å; Y94-H98 AromaticContact CE2-CE1 3.74Å; Y94-H98 AromaticContact CE2-ND1 3.56Å; Y94-H98 AromaticContact CZ-CG 3.93Å; Y94-H98 AromaticContact CZ-ND1 3.63Å; Y94-H98 PolarHBondContact O-N 3.04Å; Y94-H98 PolarHBondContact O-ND1 3.37Å; Y94-R101 HydrophobicContact CE1-CB 4.19Å; Y94-R101 HydrophobicContact CE1-CG 3.95Å
95L65.2Low64.3Low35 Ų3580.6 Ų80.618%0.18338%0.377CS..Hα-helixtrans-68.9-22.7178.1-70.9178.4000113.8Y90 S91 R92 H98 P99 R101 R102Y90-L95 HydrophobicContact CD2-CD2 3.97Å; Y90-L95 HydrophobicContact CG-CD2 3.91Å; S91-L95 WeakPolarHBondContact O-CG 3.27Å; S91-L95 PolarHBondContact O-N 2.96Å; R92-L95 PolarHBondContact O-N 2.91Å; L95-H98 CarbonylContact O-C 3.55Å; L95-P99 WeakPolarHBondContact O-CA 3.43Å; L95-R101 HydrophobicContact CD2-CB 4.29Å; L95-R102 HydrophobicContact CB-CG 4.31Å; L95-R102 HydrophobicContact CD1-CG 4.26Å; L95-R102 HydrophobicContact CD2-CG 3.73Å; L95-R102 HydrophobicContact CG-CG 4.32Å
96L66Low64.3Low116 Ų11682.1 Ų82.161%0.60739%0.386SS*.Hα-helixtrans-72.5-36.4170.9-75.4166.7000111.1R92 A93 Y94R92-L96 HydrophobicContact CG-CD1 4.38Å; R92-L96 VanDerWaalsContact O-CG 3.3Å; R92-L96 WeakPolarHBondContact O-CG 3.18Å; R92-L96 PolarHBondContact O-N 2.83Å; A93-L96 PolarHBondContact O-N 3.02Å; Y94-L96 VanDerWaalsContact C-N 3.27Å; Y94-L96 PolarHBondContact O-N 2.84Å
97R74.2Confident64.4Low205 Ų20583.2 Ų83.277%0.77439%0.391SS*.Hα-helixtrans-78.4-29.3176.2-65.5-179.4-177.6-175.30113.1A93 Y94A93-R97 PolarHBondContact O-N 3.35Å; Y94-R97 PolarHBondContact O-N 2.86Å; Y94-R97 VanDerWaalsContact O-N 3.14Å
98H71.9Confident64.5Low62 Ų6286.1 Ų86.129%0.28741%0.41SS..  trans-130.769.5-175.8-56.789.6000110.4Y94 L95 E100 R101Y94-H98 HydrophobicContact CD1-CB 4.34Å; Y94-H98 AromaticContact CD2-ND1 3.82Å; Y94-H98 HydrophobicContact CE1-CB 3.96Å; Y94-H98 AromaticContact CE1-ND1 3.93Å; Y94-H98 AromaticContact CE2-CE1 3.74Å; Y94-H98 AromaticContact CE2-ND1 3.56Å; Y94-H98 AromaticContact CZ-CG 3.93Å; Y94-H98 AromaticContact CZ-ND1 3.63Å; Y94-H98 PolarHBondContact O-N 3.04Å; Y94-H98 PolarHBondContact O-ND1 3.37Å; L95-H98 CarbonylContact O-C 3.55Å; H98-E100 WeakPolarHBondContact CA-OE2 3.39Å; H98-E100 WeakPolarHBondContact CB-OE1 3.5Å; H98-E100 IonicContact CD2-OE1 3.74Å; H98-E100 IonicContact CG-OE1 3.86Å; H98-E100 PolarHBondContact O-N 2.86Å; H98-R101 HydrophobicContact CB-CB 4.16Å; H98-R101 HydrophobicContact CB-CG 3.59Å; H98-R101 WeakPolarHBondContact O-CB 3.37Å; H98-R101 PolarHBondContact O-N 2.81Å
99P66.4Low64.8Low77 Ų7783 Ų8350%0.540%0.396SS..G310 helixtrans-60.5-30.5-178.825.2-33.8000112.8L95 R101 R102L95-P99 WeakPolarHBondContact O-CA 3.43Å; P99-R101 PolarHBondContact O-N 2.87Å; P99-R101 VanDerWaalsContact O-N 3.16Å; P99-R102 WeakPolarHBondContact O-CB 3.27Å; P99-R102 WeakPolarHBondContact O-CG 3.38Å; P99-R102 PolarHBondContact O-N 3.35Å
100E70.7Confident65Low107 Ų10782.1 Ų82.150%0.539%0.393SS..G310 helixtrans-65.3-13.8175.779.6-65.4161.600113.7H98H98-E100 WeakPolarHBondContact CA-OE2 3.39Å; H98-E100 WeakPolarHBondContact CB-OE1 3.5Å; H98-E100 IonicContact CD2-OE1 3.74Å; H98-E100 IonicContact CG-OE1 3.86Å; H98-E100 PolarHBondContact O-N 2.86Å
101R63.5Low65.5Low79 Ų7987 Ų8730%0.29841%0.411SS..G310 helixtrans-83.8-15.9172.7-60.7-75.2-174.71632.5112Y90 Y94 L95 H98 P99 G103 K104Y90-R101 HydrophobicContact CD2-CB 4.16Å; Y90-R101 HydrophobicContact CE2-CB 3.93Å; Y94-R101 HydrophobicContact CE1-CB 4.19Å; Y94-R101 HydrophobicContact CE1-CG 3.95Å; L95-R101 HydrophobicContact CD2-CB 4.29Å; H98-R101 HydrophobicContact CB-CB 4.16Å; H98-R101 HydrophobicContact CB-CG 3.59Å; H98-R101 WeakPolarHBondContact O-CB 3.37Å; H98-R101 PolarHBondContact O-N 2.81Å; P99-R101 PolarHBondContact O-N 2.87Å; P99-R101 VanDerWaalsContact O-N 3.16Å; R101-G103 PolarHBondContact O-N 3.44Å; R101-K104 PolarHBondContact O-N 3.43Å
102R59.2Low65.8Low156 Ų15684.7 Ų84.759%0.58940%0.395SS*.THydrogen-bonded Turntrans-60.8125.3168-66.8-173.1-179.11802.6107.6L95 P99L95-R102 HydrophobicContact CB-CG 4.31Å; L95-R102 HydrophobicContact CD1-CG 4.26Å; L95-R102 HydrophobicContact CD2-CG 3.73Å; L95-R102 HydrophobicContact CG-CG 4.32Å; P99-R102 WeakPolarHBondContact O-CB 3.27Å; P99-R102 WeakPolarHBondContact O-CG 3.38Å; P99-R102 PolarHBondContact O-N 3.35Å
103G59.4Low66.2Low39 Ų3974.8 Ų74.840%0.40236%0.357SS..THydrogen-bonded Turntrans95.7-22.5178.500000116.1R101 D105 V106 E107R101-G103 PolarHBondContact O-N 3.44Å; G103-D105 PolarHBondContact O-N 2.89Å; G103-V106 WeakPolarHBondContact O-CA 3.06Å; G103-V106 WeakPolarHBondContact O-CB 3.4Å; G103-V106 PolarHBondContact O-N 3.22Å; G103-E107 PolarHBondContact O-N 3.27Å
104K59.7Low66.7Low114 Ų11475.3 Ų75.350%0.49635%0.349SS..Hα-helixtrans-62.4-30.4175.6-81.8-168.6179.1179.90113R101 V106R101-K104 PolarHBondContact O-N 3.43Å; K104-V106 VanDerWaalsContact C-N 3.3Å
105D60.7Low66.9Low21 Ų2177.3 Ų77.311%0.11236%0.359CS..Hα-helixtrans-66.7-34.1172.5-164.217.5000112.3M87 K88 G103 T109M87-D105 WeakPolarHBondContact CA-OD1 3.26Å; K88-D105 VanDerWaalsContact C-OD2 3.28Å; K88-D105 HydrophobicContact CB-CB 4.21Å; K88-D105 PolarHBondContact N-OD1 2.91Å; K88-D105 PolarHBondContact N-OD2 3.47Å; G103-D105 PolarHBondContact O-N 2.89Å; D105-T109 VanDerWaalsContact O-CB 3.27Å; D105-T109 WeakPolarHBondContact O-CB 3.27Å; D105-T109 PolarHBondContact O-N 2.84Å; D105-T109 VanDerWaalsContact O-N 3.15Å; D105-T109 PolarHBondContact O-OG1 2.95Å
106V63.5Low67.4Low31 Ų3175.9 Ų75.919%0.18835%0.352CS..Hα-helixtrans-64.1-46.1179.7-174.80000110G103 K104 T109 R110 M157 I213G103-V106 WeakPolarHBondContact O-CA 3.06Å; G103-V106 WeakPolarHBondContact O-CB 3.4Å; G103-V106 PolarHBondContact O-N 3.22Å; K104-V106 VanDerWaalsContact C-N 3.3Å; V106-T109 PolarHBondContact O-N 2.79Å; V106-R110 WeakPolarHBondContact O-CA 3.46Å; V106-R110 WeakPolarHBondContact O-CB 3.38Å; V106-R110 PolarHBondContact O-N 3.4Å; V106-M157 HydrophobicContact CB-CE 4.16Å; V106-M157 HydrophobicContact CG2-CE 3.58Å; V106-I213 HydrophobicContact CG2-CD1 4.06Å
107E66.8Low67.9Low64 Ų6476.9 Ų76.930%0.29935%0.348SS..Hα-helixtrans-68.1-42.3-173.8-177.258-160.700113.2G103 R110 R111G103-E107 PolarHBondContact O-N 3.27Å; E107-R110 PolarHBondContact O-N 3.27Å; E107-R110 IonicContact OE1-CZ 3.88Å; E107-R110 IonicContact OE1-NE 3.92Å; E107-R110 IonicContact OE1-NH2 2.82Å; E107-R110 PolarHBondContact OE1-NH2 2.89Å; E107-R110 IonicContact OE2-CZ 3.44Å; E107-R110 IonicContact OE2-NE 3.62Å; E107-R110 PolarHBondContact OE2-NE 3.39Å; E107-R110 IonicContact OE2-NH2 3.46Å; E107-R110 PolarHBondContact OE2-NH2 3.11Å; E107-R111 WeakPolarHBondContact O-CG 3.36Å; E107-R111 PolarHBondContact O-N 3.42Å; E107-R111 IonicContact OE1-CZ 3.98Å; E107-R111 IonicContact OE1-NE 2.81Å; E107-R111 PolarHBondContact OE1-NE 2.96Å; E107-R111 IonicContact OE1-NH2 3.56Å; E107-R111 PolarHBondContact OE1-NH2 2.8Å
108T66.7Low68.2Low70 Ų7073.5 Ų73.543%0.42934%0.344SS..Hα-helixtrans-65.7-44.8176.8-56.70000110.6R110 R111 S112T108-R110 VanDerWaalsContact C-N 3.3Å; T108-R110 PolarHBondContact O-N 3.17Å; T108-R111 PolarHBondContact O-N 3.46Å; T108-S112 PolarHBondContact O-N 3.05Å; T108-S112 VanDerWaalsContact O-N 3.1Å; T108-S112 PolarHBondContact O-OG 3.2Å
109T65.1Low68.8Low0 Ų076.9 Ų76.90%036%0.36CS..Hα-helixtrans-62.7-39.7175.9-61.50000111.6F64 D105 V106 S112 C113 M157F64-T109 HydrophobicContact CE1-CG2 3.58Å; F64-T109 HydrophobicContact CZ-CG2 4.17Å; D105-T109 VanDerWaalsContact O-CB 3.27Å; D105-T109 WeakPolarHBondContact O-CB 3.27Å; D105-T109 PolarHBondContact O-N 2.84Å; D105-T109 VanDerWaalsContact O-N 3.15Å; D105-T109 PolarHBondContact O-OG1 2.95Å; V106-T109 PolarHBondContact O-N 2.79Å; T109-S112 PolarHBondContact O-N 2.88Å; T109-C113 WeakPolarHBondContact O-CB 3.46Å; T109-C113 PolarHBondContact O-N 2.78Å; T109-C113 PolarHBondContact O-SG 2.84Å; T109-M157 WeakPolarHBondContact CB-SD 3.24Å; T109-M157 HydrophobicContact CG2-CG 3.9Å; T109-M157 HydrophobicContact CG2-SD 3.32Å; T109-M157 WeakPolarHBondContact CG2-SD 3.13Å
110R68.4Low69.9Low86 Ų8675.3 Ų75.333%0.32535%0.349SS..Hα-helixtrans-60.2-51.1177.8-174.1-179.781.68514.4110.6V106 E107 T108 S112 C113 E114 V161V106-R110 WeakPolarHBondContact O-CA 3.46Å; V106-R110 WeakPolarHBondContact O-CB 3.38Å; V106-R110 PolarHBondContact O-N 3.4Å; E107-R110 PolarHBondContact O-N 3.27Å; E107-R110 IonicContact OE1-CZ 3.88Å; E107-R110 IonicContact OE1-NE 3.92Å; E107-R110 IonicContact OE1-NH2 2.82Å; E107-R110 PolarHBondContact OE1-NH2 2.89Å; E107-R110 IonicContact OE2-CZ 3.44Å; E107-R110 IonicContact OE2-NE 3.62Å; E107-R110 PolarHBondContact OE2-NE 3.39Å; E107-R110 IonicContact OE2-NH2 3.46Å; E107-R110 PolarHBondContact OE2-NH2 3.11Å; T108-R110 VanDerWaalsContact C-N 3.3Å; T108-R110 PolarHBondContact O-N 3.17Å; R110-S112 PolarHBondContact O-N 2.95Å; R110-C113 CarbonylContact O-C 3.57Å; R110-C113 PolarHBondContact O-N 3.32Å; R110-C113 VanDerWaalsContact O-N 3.14Å; R110-E114 HydrophobicContact CG-CG 4.37Å; R110-E114 IonicContact CZ-OE1 3.58Å; R110-E114 IonicContact CZ-OE2 3.44Å; R110-E114 IonicContact NH1-OE1 3.4Å; R110-E114 PolarHBondContact NH1-OE1 2.78Å; R110-E114 IonicContact NH1-OE2 2.79Å; R110-E114 IonicContact NH2-OE2 2.88Å; R110-E114 WeakPolarHBondContact O-CB 3.34Å; R110-E114 WeakPolarHBondContact O-CG 3.43Å; R110-E114 PolarHBondContact O-N 3.22Å; R110-V161 HydrophobicContact CB-CG1 4.42Å; R110-V161 HydrophobicContact CB-CG2 4.03Å; R110-V161 HydrophobicContact CG-CG1 3.9Å; R110-V161 HydrophobicContact CG-CG2 3.97Å
111R71.9Confident70.7Confident153 Ų15370.5 Ų70.558%0.57733%0.328SS*.Hα-helixtrans-59.4-43.1177.4-70.7177.7-171.9-167.4-1.9112.7E107 T108 E114 K115E107-R111 WeakPolarHBondContact O-CG 3.36Å; E107-R111 PolarHBondContact O-N 3.42Å; E107-R111 IonicContact OE1-CZ 3.98Å; E107-R111 IonicContact OE1-NE 2.81Å; E107-R111 PolarHBondContact OE1-NE 2.96Å; E107-R111 IonicContact OE1-NH2 3.56Å; E107-R111 PolarHBondContact OE1-NH2 2.8Å; T108-R111 PolarHBondContact O-N 3.46Å; R111-E114 PolarHBondContact O-N 2.81Å; R111-K115 PolarHBondContact O-N 2.94Å
112S68.8Low72Confident20 Ų2066.8 Ų66.814%0.1431%0.313CS..Hα-helixtrans-62.7-44.6175-70.50000111.4T108 T109 R110 K115 F116T108-S112 PolarHBondContact O-N 3.05Å; T108-S112 VanDerWaalsContact O-N 3.1Å; T108-S112 PolarHBondContact O-OG 3.2Å; T109-S112 PolarHBondContact O-N 2.88Å; R110-S112 PolarHBondContact O-N 2.95Å; S112-K115 PolarHBondContact O-N 2.86Å; S112-F116 WeakPolarHBondContact O-CD1 3.39Å; S112-F116 VanDerWaalsContact O-CE1 3.24Å; S112-F116 WeakPolarHBondContact O-CE1 3.43Å; S112-F116 WeakPolarHBondContact O-CE2 3.47Å; S112-F116 VanDerWaalsContact O-CZ 3.26Å; S112-F116 WeakPolarHBondContact O-CZ 3.39Å
113C70.5Confident73.4Confident0 Ų059.3 Ų59.30%029%0.285CS..Hα-helixtrans-66.5-38.1178.5-67.50000112.2T109 R110 K115 F116 V161 L162T109-C113 WeakPolarHBondContact O-CB 3.46Å; T109-C113 PolarHBondContact O-N 2.78Å; T109-C113 PolarHBondContact O-SG 2.84Å; R110-C113 CarbonylContact O-C 3.57Å; R110-C113 PolarHBondContact O-N 3.32Å; R110-C113 VanDerWaalsContact O-N 3.14Å; C113-K115 VanDerWaalsContact C-N 3.28Å; C113-K115 PolarHBondContact O-N 2.88Å; C113-F116 HydrophobicContact CB-CD2 4.47Å; C113-F116 WeakPolarHBondContact O-CB 3.48Å; C113-F116 PolarHBondContact O-N 3.11Å; C113-V161 HydrophobicContact CB-CB 4.03Å; C113-V161 HydrophobicContact CB-CG1 3.48Å; C113-V161 VanDerWaalsContact CB-CG1 3.48Å; C113-L162 HydrophobicContact CB-CD1 4.15Å; C113-L162 HydrophobicContact CB-CG 4.11Å; C113-L162 WeakPolarHBondContact O-CD2 3.47Å
114E73.7Confident74.9Confident74 Ų7457.5 Ų57.535%0.34627%0.266SS..Hα-helixtrans-60-35.5176-78.5177.5155.900112.6R110 R111 F116 R117 V161R110-E114 HydrophobicContact CG-CG 4.37Å; R110-E114 IonicContact CZ-OE1 3.58Å; R110-E114 IonicContact CZ-OE2 3.44Å; R110-E114 IonicContact NH1-OE1 3.4Å; R110-E114 PolarHBondContact NH1-OE1 2.78Å; R110-E114 IonicContact NH1-OE2 2.79Å; R110-E114 IonicContact NH2-OE2 2.88Å; R110-E114 WeakPolarHBondContact O-CB 3.34Å; R110-E114 WeakPolarHBondContact O-CG 3.43Å; R110-E114 PolarHBondContact O-N 3.22Å; R111-E114 PolarHBondContact O-N 2.81Å; E114-F116 PolarHBondContact O-N 3.16Å; E114-R117 VanDerWaalsContact O-CB 3.26Å; E114-R117 WeakPolarHBondContact O-CB 3.42Å; E114-R117 WeakPolarHBondContact O-CG 3.37Å; E114-R117 PolarHBondContact O-N 2.76Å; E114-V161 HydrophobicContact CG-CG1 4.39Å
115K73.5Confident76.4Confident114 Ų11452.2 Ų52.250%0.49624%0.243SC..Hα-helixtrans-63.8-30.4173.3-69.3-178.9177.1-166.70112.7D83 R111 S112 C113 R117 L118D83-K115 IonicContact OD1-NZ 3.78Å; D83-K115 PolarHBondContact OD1-NZ 3.44Å; R111-K115 PolarHBondContact O-N 2.94Å; S112-K115 PolarHBondContact O-N 2.86Å; C113-K115 VanDerWaalsContact C-N 3.28Å; C113-K115 PolarHBondContact O-N 2.88Å; K115-R117 PolarHBondContact O-N 3.15Å; K115-L118 PolarHBondContact O-N 3.12Å
116F75.5Confident77.9Confident5 Ų552.3 Ų52.32%0.02224%0.243CC..G310 helixtrans-72.7-7.7179.6-50.7-27.3000112.6W34 K62 D83 P85 S112 C113 E114 L118 T121 I123W34-F116 PolarHBondContact NE1-O 3.22Å; K62-F116 HydrophobicContact CB-CZ 4.41Å; K62-F116 HydrophobicContact CD-CD1 3.52Å; K62-F116 HydrophobicContact CD-CD2 4.41Å; K62-F116 HydrophobicContact CD-CE1 3.09Å; K62-F116 HydrophobicContact CD-CE2 4.04Å; K62-F116 HydrophobicContact CD-CG 4.2Å; K62-F116 HydrophobicContact CD-CZ 3.38Å; K62-F116 VanDerWaalsContact CE-CE1 3.5Å; D83-F116 HydrophobicContact CB-CE1 4.08Å; D83-F116 WeakPolarHBondContact O-CE1 3.11Å; D83-F116 WeakPolarHBondContact O-CZ 3.24Å; P85-F116 HydrophobicContact CG-CE2 4.22Å; P85-F116 HydrophobicContact CG-CZ 4.45Å; S112-F116 WeakPolarHBondContact O-CD1 3.39Å; S112-F116 VanDerWaalsContact O-CE1 3.24Å; S112-F116 WeakPolarHBondContact O-CE1 3.43Å; S112-F116 WeakPolarHBondContact O-CE2 3.47Å; S112-F116 VanDerWaalsContact O-CZ 3.26Å; S112-F116 WeakPolarHBondContact O-CZ 3.39Å; C113-F116 HydrophobicContact CB-CD2 4.47Å; C113-F116 WeakPolarHBondContact O-CB 3.48Å; C113-F116 PolarHBondContact O-N 3.11Å; E114-F116 PolarHBondContact O-N 3.16Å; F116-L118 PolarHBondContact O-N 3.32Å; F116-T121 HydrophobicContact CB-CG2 4.13Å; F116-T121 HydrophobicContact CD1-CG2 4.39Å; F116-T121 HydrophobicContact CD2-CG2 4.32Å; F116-T121 HydrophobicContact CG-CG2 4.02Å; F116-I123 HydrophobicContact CD2-CD1 3.5Å; F116-I123 HydrophobicContact CD2-CG1 4.11Å; F116-I123 HydrophobicContact CE2-CD1 3.93Å; F116-I123 HydrophobicContact CE2-CG1 4.43Å
117R76.4Confident79.2Confident138 Ų13850.9 Ų50.952%0.52123%0.234SC..G310 helixtrans-67.8-21.4175.6-56.7-168.467.1168-5.5113.2E114 K115 L162 Q165E114-R117 VanDerWaalsContact O-CB 3.26Å; E114-R117 WeakPolarHBondContact O-CB 3.42Å; E114-R117 WeakPolarHBondContact O-CG 3.37Å; E114-R117 PolarHBondContact O-N 2.76Å; K115-R117 PolarHBondContact O-N 3.15Å; R117-L162 HydrophobicContact CG-CD2 3.65Å; R117-Q165 PolarHBondContact O-NE2 3.01Å
118L80.5Confident80.4Confident134 Ų13447.8 Ų47.870%0.70222%0.22SC*.G310 helixtrans-81.2-25.6-174.5-60.3175.7000113.1K115 F116K115-L118 PolarHBondContact O-N 3.12Å; F116-L118 PolarHBondContact O-N 3.32Å
119H84.4Confident81.3Confident132 Ų13244.7 Ų44.761%0.61120%0.202SC*.SBendtrans-143.3140.6-174.2-57.3-56.4000111.7W34 T121W34-H119 PolarHBondContact NE1-O 2.69Å; H119-T121 PolarHBondContact O-N 2.84Å; H119-T121 VanDerWaalsContact O-N 3.17Å; H119-T121 PolarHBondContact O-OG1 3.37Å
120P88.6Confident82.3Confident44 Ų4445.8 Ų45.829%0.28621%0.209SC..  trans-46.2124.4172.8-29.535.6000111K31 K32 W34 P59K31-P120 WeakPolarHBondContact O-CB 3.2Å; K32-P120 WeakPolarHBondContact O-CG 3.22Å; W34-P120 HydrophobicContact CD2-CB 4.49Å; W34-P120 VanDerWaalsContact CE2-CA 3.44Å; W34-P120 HydrophobicContact CE3-CG 4.47Å; W34-P120 HydrophobicContact CH2-CB 4.49Å; W34-P120 HydrophobicContact CH2-CG 3.76Å; W34-P120 HydrophobicContact CZ2-CB 4.49Å; W34-P120 HydrophobicContact CZ2-CG 4.06Å; W34-P120 VanDerWaalsContact CZ2-N 3.28Å; W34-P120 HydrophobicContact CZ3-CB 4.5Å; W34-P120 HydrophobicContact CZ3-CG 3.98Å; P59-P120 HydrophobicContact CB-CB 4.05Å; P59-P120 WeakPolarHBondContact CB-O 3.47Å; P59-P120 HydrophobicContact CG-CB 4.11Å
121T88.2Confident83.4Confident7 Ų746.9 Ų46.94%0.04321%0.214CC..  trans-143.5140.8-172.2-66.90000110.2W34 Y35 K62 F116 H119 I123W34-T121 WeakPolarHBondContact CA-O 3.31Å; Y35-T121 PolarHBondContact N-O 2.91Å; Y35-T121 VanDerWaalsContact N-O 3.14Å; K62-T121 HydrophobicContact CB-CG2 4.33Å; K62-T121 HydrophobicContact CD-CG2 3.67Å; K62-T121 HydrophobicContact CG-CG2 3.92Å; F116-T121 HydrophobicContact CB-CG2 4.13Å; F116-T121 HydrophobicContact CD1-CG2 4.39Å; F116-T121 HydrophobicContact CD2-CG2 4.32Å; F116-T121 HydrophobicContact CG-CG2 4.02Å; H119-T121 PolarHBondContact O-N 2.84Å; H119-T121 VanDerWaalsContact O-N 3.17Å; H119-T121 PolarHBondContact O-OG1 3.37Å; T121-I123 HydrophobicContact CG2-CG1 4.2Å
122T91.2Very high84.4Confident0 Ų041.7 Ų41.70%020%0.195CC..EExtended strand (participates in β ladder)trans-100.9122.2170.1-58.50000108.7Y35 L37 I58 P59 M60 N61 K62 V124Y35-T122 CarbonylContact O-C 3.56Å; Y35-T122 WeakPolarHBondContact O-CA 3.48Å; L37-T122 HydrophobicContact CB-CG2 3.81Å; L37-T122 HydrophobicContact CD1-CG2 4.19Å; I58-T122 HydrophobicContact CD1-CG2 3.74Å; P59-T122 PolarHBondContact O-OG1 2.82Å; M60-T122 PolarHBondContact O-N 3.01Å; N61-T122 CarbonylContact C-O 3.32Å; N61-T122 WeakPolarHBondContact CA-O 3.32Å; K62-T122 PolarHBondContact N-O 2.88Å; T122-V124 HydrophobicContact CG2-CG2 4.15Å
123I89.1Confident85.5Confident0 Ų043.2 Ų43.20%020%0.204CC..EExtended strand (participates in β ladder)trans-99.6115174.2-55.4-171.1000109.7Y35 L36 L37 K62 F64 F116 T121 L162 F166Y35-I123 PolarHBondContact O-N 3.44Å; L36-I123 HydrophobicContact CD1-CB 4.41Å; L37-I123 PolarHBondContact N-O 3.25Å; K62-I123 CarbonylContact O-C 3.51Å; K62-I123 WeakPolarHBondContact O-CA 3.31Å; F64-I123 HydrophobicContact CD2-CG2 3.46Å; F64-I123 VanDerWaalsContact CD2-CG2 3.46Å; F64-I123 HydrophobicContact CE2-CG2 3.16Å; F64-I123 HydrophobicContact CG-CG2 4.47Å; F64-I123 HydrophobicContact CZ-CG2 3.96Å; F116-I123 HydrophobicContact CD2-CD1 3.5Å; F116-I123 HydrophobicContact CD2-CG1 4.11Å; F116-I123 HydrophobicContact CE2-CD1 3.93Å; F116-I123 HydrophobicContact CE2-CG1 4.43Å; T121-I123 HydrophobicContact CG2-CG1 4.2Å; I123-L162 HydrophobicContact CD1-CD1 3.22Å; I123-L162 HydrophobicContact CG1-CD1 4.43Å; I123-F166 HydrophobicContact CB-CE1 4.35Å; I123-F166 HydrophobicContact CB-CZ 4.39Å; I123-F166 HydrophobicContact CD1-CE1 4.09Å; I123-F166 HydrophobicContact CD1-CZ 3.84Å; I123-F166 HydrophobicContact CG1-CE1 4.13Å; I123-F166 HydrophobicContact CG1-CZ 4.29Å
124V90.6Very high86.6Confident0 Ų050 Ų500%024%0.235CC..EExtended strand (participates in β ladder)trans-93.7126-178.3-179.10000110.5L37 L50 N61 K62 Y63 F64 T122 F126L37-V124 HydrophobicContact CB-CG2 4.16Å; L37-V124 HydrophobicContact CD1-CG2 4.38Å; L37-V124 HydrophobicContact CD2-CG1 3.86Å; L37-V124 HydrophobicContact CD2-CG2 4.3Å; L37-V124 CarbonylContact O-C 3.55Å; L37-V124 WeakPolarHBondContact O-CA 3.4Å; L50-V124 HydrophobicContact CD1-CG1 4.2Å; N61-V124 HydrophobicContact CB-CG2 3.85Å; K62-V124 PolarHBondContact O-N 3.44Å; Y63-V124 HydrophobicContact CD1-CB 3.55Å; Y63-V124 HydrophobicContact CD1-CG1 3.49Å; Y63-V124 VanDerWaalsContact CD1-CG1 3.49Å; Y63-V124 HydrophobicContact CD1-CG2 4.24Å; Y63-V124 HydrophobicContact CE1-CB 3.71Å; Y63-V124 HydrophobicContact CE1-CG1 3.44Å; Y63-V124 VanDerWaalsContact CE1-CG1 3.44Å; Y63-V124 HydrophobicContact CE1-CG2 3.98Å; Y63-V124 HydrophobicContact CG-CB 4.13Å; F64-V124 PolarHBondContact N-O 2.79Å; T122-V124 HydrophobicContact CG2-CG2 4.15Å; V124-F126 HydrophobicContact CG1-CE2 4.4Å; V124-F126 HydrophobicContact CG1-CZ 4.48Å
125N90.3Very high87.5Confident3 Ų352.2 Ų52.22%0.01625%0.246CC..EExtended strand (participates in β ladder)trans-123.7112.2174.6-162.1-45.3000111.2L37 I38 C39 F64 V127 G154 I155L37-N125 PolarHBondContact O-N 2.73Å; I38-N125 WeakPolarHBondContact CA-O 3.25Å; C39-N125 PolarHBondContact N-O 2.9Å; C39-N125 VanDerWaalsContact N-O 3.11Å; F64-N125 HydrophobicContact CD2-CB 4.1Å; N125-V127 PolarHBondContact O-N 2.96Å; N125-V127 VanDerWaalsContact O-N 3.16Å; N125-V127 PolarHBondContact OD1-N 3.24Å; N125-G154 VanDerWaalsContact ND2-C 3.29Å; N125-I155 HydrophobicContact CB-CG2 3.73Å; N125-I155 WeakPolarHBondContact ND2-CG2 3.41Å; N125-I155 PolarHBondContact ND2-N 3.42Å
126F92.4Very high88.5Confident23 Ų2349.7 Ų49.710%0.10124%0.235CC..EExtended strand (participates in β ladder)trans-77.194.8164.2-68.4-63.9000109.2C39 N40 H41 D46 I47 L50 Y63 V124 E128 G129C39-F126 HydrophobicContact CB-CD1 4.03Å; C39-F126 HydrophobicContact CB-CE1 4.04Å; C39-F126 WeakPolarHBondContact O-CA 3.41Å; N40-F126 WeakPolarHBondContact O-CD1 3.42Å; H41-F126 HydrophobicContact CB-CB 3.93Å; H41-F126 HydrophobicContact CB-CD1 3.67Å; H41-F126 HydrophobicContact CB-CE1 4.46Å; H41-F126 HydrophobicContact CB-CG 3.97Å; H41-F126 AromaticContact CG-CD1 3.73Å; H41-F126 AromaticContact CG-CG 3.78Å; H41-F126 AromaticContact ND1-CD1 3.75Å; H41-F126 AromaticContact ND1-CE1 3.8Å; H41-F126 AromaticContact ND1-CG 4Å; D46-F126 HydrophobicContact CB-CE1 3.98Å; D46-F126 HydrophobicContact CB-CZ 4.02Å; I47-F126 HydrophobicContact CD1-CE2 4.27Å; I47-F126 HydrophobicContact CG1-CE2 3.71Å; I47-F126 HydrophobicContact CG1-CZ 3.87Å; L50-F126 HydrophobicContact CD1-CE1 4.04Å; L50-F126 HydrophobicContact CD1-CZ 3.86Å; Y63-F126 AromaticContact CD1-CE2 3.81Å; Y63-F126 HydrophobicContact CD1-CE2 3.81Å; Y63-F126 AromaticContact CE1-CE2 3.89Å; Y63-F126 HydrophobicContact CE1-CE2 3.89Å; Y63-F126 HydrophobicContact CE1-CZ 4.18Å; V124-F126 HydrophobicContact CG1-CE2 4.4Å; V124-F126 HydrophobicContact CG1-CZ 4.48Å; F126-E128 VanDerWaalsContact C-N 3.27Å; F126-E128 PolarHBondContact O-N 3.4Å; F126-G129 WeakPolarHBondContact O-CA 3.45Å; F126-G129 PolarHBondContact O-N 3.15Å
127V91.1Very high89.5Confident1 Ų151.4 Ų51.41%0.00624%0.243CC..THydrogen-bonded Turntrans-63.2-30.7-164.4-175.40000112.6I38 C39 N125 G129 P150 K151 I155 L226 W230I38-V127 HydrophobicContact CB-CG2 3.71Å; I38-V127 HydrophobicContact CG2-CG2 3.92Å; C39-V127 PolarHBondContact O-N 3.41Å; N125-V127 PolarHBondContact O-N 2.96Å; N125-V127 VanDerWaalsContact O-N 3.16Å; N125-V127 PolarHBondContact OD1-N 3.24Å; V127-G129 PolarHBondContact O-N 3.21Å; V127-P150 HydrophobicContact CG1-CB 3.46Å; V127-P150 VanDerWaalsContact CG1-CB 3.46Å; V127-K151 WeakPolarHBondContact O-CA 3.48Å; V127-K151 VanDerWaalsContact O-CB 3.3Å; V127-K151 WeakPolarHBondContact O-CB 3.35Å; V127-K151 PolarHBondContact O-N 3.27Å; V127-I155 HydrophobicContact CG2-CG2 4.23Å; V127-L226 HydrophobicContact CG1-CD1 4.22Å; V127-L226 HydrophobicContact CG1-CD2 3.97Å; V127-W230 HydrophobicContact CB-CH2 3.56Å; V127-W230 HydrophobicContact CB-CZ2 4.2Å; V127-W230 HydrophobicContact CB-CZ3 3.73Å; V127-W230 HydrophobicContact CG1-CH2 4.35Å; V127-W230 HydrophobicContact CG1-CZ3 4.21Å; V127-W230 HydrophobicContact CG2-CH2 3.94Å; V127-W230 HydrophobicContact CG2-CZ3 3.8Å
128E91.4Very high90.3Very high0 Ų050.4 Ų50.40%024%0.244CC..THydrogen-bonded Turntrans-61.8-25.9173.9-59.8-179.6-115.800112N40 H41 F126 S130 L148 K151 W230N40-E128 VanDerWaalsContact CA-OE1 3.27Å; N40-E128 WeakPolarHBondContact CA-OE1 3.32Å; N40-E128 WeakPolarHBondContact CB-OE1 3.47Å; H41-E128 PolarHBondContact N-OE1 2.94Å; F126-E128 VanDerWaalsContact C-N 3.27Å; F126-E128 PolarHBondContact O-N 3.4Å; E128-S130 PolarHBondContact O-N 3.48Å; E128-S130 VanDerWaalsContact O-N 3.11Å; E128-L148 HydrophobicContact CB-CB 4.04Å; E128-L148 HydrophobicContact CB-CD1 4.4Å; E128-L148 HydrophobicContact CG-CB 4.03Å; E128-L148 WeakPolarHBondContact OE2-CB 3.46Å; E128-L148 VanDerWaalsContact OE2-CG 3.23Å; E128-L148 WeakPolarHBondContact OE2-CG 3.49Å; E128-L148 PolarHBondContact OE2-N 3.37Å; E128-K151 WeakPolarHBondContact O-CD 3.3Å; E128-K151 VanDerWaalsContact O-CE 3.26Å; E128-K151 WeakPolarHBondContact O-CE 3.43Å; E128-K151 PolarHBondContact O-NZ 3.22Å; E128-W230 HydrophobicContact CG-CZ2 3.59Å
129G84.9Confident91Very high5 Ų549.7 Ų49.75%0.05224%0.237CC..SBendtrans68.15.1-179.300000114.7K66 R89 F126 V127K66-G129 WeakPolarHBondContact CE-O 3.36Å; K66-G129 PolarHBondContact NZ-O 2.93Å; R89-G129 PolarHBondContact NH1-O 3.11Å; F126-G129 WeakPolarHBondContact O-CA 3.45Å; F126-G129 PolarHBondContact O-N 3.15Å; V127-G129 PolarHBondContact O-N 3.21Å
130S87Confident91.3Very high22 Ų2246.5 Ų46.515%0.15423%0.227CC..SBendtrans-157149.5173.746.30000109.2E128 F132 L148E128-S130 PolarHBondContact O-N 3.48Å; E128-S130 VanDerWaalsContact O-N 3.11Å; S130-F132 PolarHBondContact O-N 2.89Å; S130-L148 WeakPolarHBondContact OG-CD1 3.37Å
131R90.8Very high91.5Very high110 Ų11052.2 Ų52.242%0.41525%0.25SC..  trans-56.2133.5169.1-67.8172.4-78.5157-1.7110.2H41 K136H41-R131 PolarHBondContact CD2-N 3.23Å; H41-R131 VanDerWaalsContact NE2-CG 3.3Å; H41-R131 WeakPolarHBondContact NE2-CG 3.47Å; H41-R131 CarbonylContact O-C 3.54Å; H41-R131 WeakPolarHBondContact O-CA 3.47Å; R131-K136 WeakPolarHBondContact O-CD 3.36Å; R131-K136 PolarHBondContact O-NZ 3.34Å
132F93.3Very high91.8Very high44 Ų4452.6 Ų52.619%0.19325%0.252CS..  trans-58.4133171.9-179.1-82.8000110.5H41 R42 S130 H137 N146 L148H41-F132 PolarHBondContact O-N 3.27Å; R42-F132 VanDerWaalsContact NH1-CD2 3.26Å; S130-F132 PolarHBondContact O-N 2.89Å; F132-H137 HydrophobicContact CE2-CB 3.97Å; F132-H137 AromaticContact CE2-CD2 3.67Å; F132-H137 HydrophobicContact CZ-CB 4.07Å; F132-N146 VanDerWaalsContact CD2-O 3.26Å; F132-N146 WeakPolarHBondContact CD2-O 3.37Å; F132-N146 VanDerWaalsContact CE2-C 3.47Å; F132-N146 WeakPolarHBondContact CE2-O 3.35Å; F132-L148 HydrophobicContact CD2-CD2 4.13Å; F132-L148 HydrophobicContact CD2-CG 4.04Å
133T92.6Very high92Very high52 Ų5258.5 Ų58.532%0.31929%0.289SS..  trans-140.9152.3163.461.30000107.2E135 K136 H137T133-E135 PolarHBondContact O-N 3.18Å; T133-K136 PolarHBondContact O-N 3.29Å; T133-K136 VanDerWaalsContact O-N 3.13Å; T133-K136 WeakPolarHBondContact OG1-CB 3.43Å; T133-K136 WeakPolarHBondContact OG1-CG 3.11Å; T133-K136 PolarHBondContact OG1-N 3.47Å; T133-H137 WeakPolarHBondContact O-CB 3.49Å; T133-H137 PolarHBondContact O-N 2.89Å
134Q92.3Very high92.3Very high141 Ų14159 Ų5966%0.65929%0.291SS*.Hα-helixtrans-57.2-39.3176.5-174.2175.23.200111.5K136 H137 Q138Q134-K136 PolarHBondContact O-N 2.88Å; Q134-H137 WeakPolarHBondContact O-CB 3.22Å; Q134-H137 PolarHBondContact O-N 3.41Å; Q134-Q138 WeakPolarHBondContact O-CG 3.3Å; Q134-Q138 PolarHBondContact O-N 3.35Å
135E94.5Very high92.5Very high121 Ų12165 Ų6557%0.56532%0.319SS*.Hα-helixtrans-57.4-48.6174.6-171.3-163.3163.100112.3T133 H137 Q138 Q139T133-E135 PolarHBondContact O-N 3.18Å; E135-H137 VanDerWaalsContact C-N 3.34Å; E135-H137 PolarHBondContact O-N 3.18Å; E135-Q138 PolarHBondContact O-N 2.83Å; E135-Q139 WeakPolarHBondContact O-CB 3.39Å; E135-Q139 VanDerWaalsContact O-CG 3.25Å; E135-Q139 WeakPolarHBondContact O-CG 3.42Å; E135-Q139 PolarHBondContact O-N 2.9Å; E135-Q139 PolarHBondContact OE1-NE2 2.96Å
136K93.8Very high92.8Very high62 Ų6265.7 Ų65.727%0.2732%0.323SS..Hα-helixtrans-68.7-35.7178.4-74.7173.6-166.8156.20112.2R131 T133 Q134 Q138 Q139 T140 L148R131-K136 WeakPolarHBondContact O-CD 3.36Å; R131-K136 PolarHBondContact O-NZ 3.34Å; T133-K136 PolarHBondContact O-N 3.29Å; T133-K136 VanDerWaalsContact O-N 3.13Å; T133-K136 WeakPolarHBondContact OG1-CB 3.43Å; T133-K136 WeakPolarHBondContact OG1-CG 3.11Å; T133-K136 PolarHBondContact OG1-N 3.47Å; Q134-K136 PolarHBondContact O-N 2.88Å; K136-Q138 VanDerWaalsContact C-N 3.31Å; K136-Q139 PolarHBondContact O-N 3.01Å; K136-T140 WeakPolarHBondContact O-CB 3.35Å; K136-T140 VanDerWaalsContact O-CG2 3.31Å; K136-T140 WeakPolarHBondContact O-CG2 3.26Å; K136-T140 PolarHBondContact O-N 3.07Å; K136-T140 PolarHBondContact O-OG1 2.83Å; K136-L148 HydrophobicContact CB-CD1 4.18Å; K136-L148 HydrophobicContact CB-CD2 3.87Å; K136-L148 HydrophobicContact CD-CD1 4.32Å
137H95.6Very high93Very high40 Ų4064.6 Ų64.619%0.18532%0.318CS..Hα-helixtrans-58.8-46.7176.4176.9-80.7000110.4F132 T133 Q134 E135 T140 H141 S142 F144 L147 L148F132-H137 HydrophobicContact CE2-CB 3.97Å; F132-H137 AromaticContact CE2-CD2 3.67Å; F132-H137 HydrophobicContact CZ-CB 4.07Å; T133-H137 WeakPolarHBondContact O-CB 3.49Å; T133-H137 PolarHBondContact O-N 2.89Å; Q134-H137 WeakPolarHBondContact O-CB 3.22Å; Q134-H137 PolarHBondContact O-N 3.41Å; E135-H137 VanDerWaalsContact C-N 3.34Å; E135-H137 PolarHBondContact O-N 3.18Å; H137-T140 PolarHBondContact O-OG1 2.83Å; H137-H141 PolarHBondContact O-N 3.2Å; H137-S142 VanDerWaalsContact CD2-CB 3.48Å; H137-S142 WeakPolarHBondContact CD2-CB 3.3Å; H137-S142 PolarHBondContact O-N 3.5Å; H137-S142 VanDerWaalsContact O-N 3.17Å; H137-F144 PolarHBondContact NE2-O 3.23Å; H137-L147 PolarHBondContact CD2-O 3.16Å; H137-L148 HydrophobicContact CB-CD2 4Å
138Q94.3Very high93.3Very high117 Ų11764.7 Ų64.755%0.54732%0.318SS..Hα-helixtrans-64.4-50.2173.9-69171.1-15.100112.4Q134 E135 K136 T140 H141Q134-Q138 WeakPolarHBondContact O-CG 3.3Å; Q134-Q138 PolarHBondContact O-N 3.35Å; E135-Q138 PolarHBondContact O-N 2.83Å; K136-Q138 VanDerWaalsContact C-N 3.31Å; Q138-T140 PolarHBondContact O-N 3.03Å; Q138-H141 PolarHBondContact O-N 3.13Å
139Q94.1Very high93.4Very high120 Ų12066.9 Ų66.956%0.56133%0.332SS*.Hα-helixtrans-61.1-30.1-179.3-75170.4-1.100113.5E135 K136E135-Q139 WeakPolarHBondContact O-CB 3.39Å; E135-Q139 VanDerWaalsContact O-CG 3.25Å; E135-Q139 WeakPolarHBondContact O-CG 3.42Å; E135-Q139 PolarHBondContact O-N 2.9Å; E135-Q139 PolarHBondContact OE1-NE2 2.96Å; K136-Q139 PolarHBondContact O-N 3.01Å
140T91.9Very high93.9Very high65 Ų6567.6 Ų67.640%0.39934%0.336SS..THydrogen-bonded Turntrans-93.10.3179.6580000113.3K136 H137 Q138 S142 P149K136-T140 WeakPolarHBondContact O-CB 3.35Å; K136-T140 VanDerWaalsContact O-CG2 3.31Å; K136-T140 WeakPolarHBondContact O-CG2 3.26Å; K136-T140 PolarHBondContact O-N 3.07Å; K136-T140 PolarHBondContact O-OG1 2.83Å; H137-T140 PolarHBondContact O-OG1 2.83Å; Q138-T140 PolarHBondContact O-N 3.03Å; T140-S142 PolarHBondContact O-N 3.18Å; T140-P149 WeakPolarHBondContact OG1-CD 3.34Å
141H92.4Very high94Very high164 Ų16471.2 Ų71.276%0.75935%0.349SS*.THydrogen-bonded Turntrans47.447.5-175.1-59-73.2000111.9H137 Q138 T143H137-H141 PolarHBondContact O-N 3.2Å; Q138-H141 PolarHBondContact O-N 3.13Å; H141-T143 PolarHBondContact O-N 3.21Å
142S93.8Very high93.9Very high14 Ų1466.2 Ų66.210%0.09833%0.332CS..  trans-62.2128.9-176-166.80000110.7H137 T140 F144 L147H137-S142 VanDerWaalsContact CD2-CB 3.48Å; H137-S142 WeakPolarHBondContact CD2-CB 3.3Å; H137-S142 PolarHBondContact O-N 3.5Å; H137-S142 VanDerWaalsContact O-N 3.17Å; T140-S142 PolarHBondContact O-N 3.18Å; S142-F144 VanDerWaalsContact C-N 3.27Å; S142-F144 PolarHBondContact OG-N 3.21Å; S142-L147 WeakPolarHBondContact CB-O 3.34Å; S142-L147 PolarHBondContact OG-O 3.33Å
143T95Very high93.2Very high125 Ų12567 Ų6777%0.76735%0.346SS*.SBendtrans-79.7-14173.657.30000112.4H141H141-T143 PolarHBondContact O-N 3.21Å
144F96.8Very high92.6Very high10 Ų1064.9 Ų64.94%0.04433%0.334CS..SBendtrans-84.4142.1175.9-54.3-76.4000109.6H137 S142 L147 W230 Q231 D234H137-F144 PolarHBondContact NE2-O 3.23Å; S142-F144 VanDerWaalsContact C-N 3.27Å; S142-F144 PolarHBondContact OG-N 3.21Å; F144-L147 HydrophobicContact CB-CB 3.93Å; F144-L147 HydrophobicContact CG-CB 4.4Å; F144-W230 AromaticContact CD2-CD1 3.85Å; F144-W230 HydrophobicContact CE1-CB 3.88Å; F144-W230 HydrophobicContact CE1-CG 4.42Å; F144-W230 AromaticContact CE2-CD1 3.75Å; F144-W230 HydrophobicContact CZ-CB 3.87Å; F144-W230 AromaticContact CZ-CD1 3.87Å; F144-W230 HydrophobicContact CZ-CG 4.27Å; F144-Q231 HydrophobicContact CE1-CB 4.17Å; F144-D234 HydrophobicContact CB-CB 4.36Å; F144-D234 HydrophobicContact CD1-CB 4.16Å
145Q95.2Very high92.3Very high127 Ų12758.1 Ų58.159%0.59330%0.303SS*.SBendtrans-70.6-41.5-177-176.4177.29.500112D234 T238Q145-D234 PolarHBondContact N-OD1 2.98Å; Q145-D234 PolarHBondContact N-OD2 3.39Å; Q145-T238 PolarHBondContact OE1-OG1 3.37Å
146N95.3Very high91.9Very high17 Ų1752.7 Ų52.79%0.09128%0.278CS..SBendtrans-113.2-10-168.1-59.8-56.1000112.8R42 F132 D234 L237 T238R42-N146 PolarHBondContact NH1-O 3.44Å; R42-N146 PolarHBondContact NH2-O 3.04Å; F132-N146 VanDerWaalsContact CD2-O 3.26Å; F132-N146 WeakPolarHBondContact CD2-O 3.37Å; F132-N146 VanDerWaalsContact CE2-C 3.47Å; F132-N146 WeakPolarHBondContact CE2-O 3.35Å; N146-D234 WeakPolarHBondContact CA-OD1 3.25Å; N146-D234 VanDerWaalsContact CB-OD1 3.28Å; N146-D234 WeakPolarHBondContact CB-OD1 3.34Å; N146-D234 PolarHBondContact N-OD1 2.89Å; N146-D234 PolarHBondContact ND2-O 3.27Å; N146-L237 HydrophobicContact CB-CB 3.99Å; N146-L237 HydrophobicContact CB-CD1 4.08Å; N146-T238 PolarHBondContact ND2-N 2.99Å; N146-T238 PolarHBondContact ND2-OG1 3.36Å
147L97.3Very high91.2Very high0 Ų051 Ų510%027%0.272CS..SBendtrans-120.7155.8-171.8-63.3171.9000112N40 H137 S142 F144 W230 K233 D234 L237N40-L147 HydrophobicContact CB-CD2 3.42Å; N40-L147 VanDerWaalsContact CB-CD2 3.42Å; H137-L147 PolarHBondContact CD2-O 3.16Å; S142-L147 WeakPolarHBondContact CB-O 3.34Å; S142-L147 PolarHBondContact OG-O 3.33Å; F144-L147 HydrophobicContact CB-CB 3.93Å; F144-L147 HydrophobicContact CG-CB 4.4Å; L147-W230 HydrophobicContact CD1-CD2 4.23Å; L147-W230 HydrophobicContact CD1-CG 4.06Å; L147-W230 HydrophobicContact CD1-CZ2 4.39Å; L147-W230 WeakPolarHBondContact CD1-O 3.34Å; L147-W230 HydrophobicContact CD2-CZ2 4.37Å; L147-K233 HydrophobicContact CD1-CB 4.1Å; L147-K233 HydrophobicContact CD1-CD 4.14Å; L147-K233 HydrophobicContact CD1-CG 3.96Å; L147-D234 HydrophobicContact CD1-CB 3.95Å; L147-D234 PolarHBondContact N-OD1 3.31Å; L147-L237 HydrophobicContact CD1-CD1 4.2Å; L147-L237 HydrophobicContact CD2-CD1 3.43Å; L147-L237 VanDerWaalsContact CD2-CD1 3.43Å; L147-L237 HydrophobicContact CG-CD1 3.8Å
148L96.4Very high90.6Very high3 Ų349 Ų492%0.01626%0.263CS..PPolyproline II helixtrans-80.1160.4161.2-57.3177.4000110.4E128 S130 F132 K136 H137 W230E128-L148 HydrophobicContact CB-CB 4.04Å; E128-L148 HydrophobicContact CB-CD1 4.4Å; E128-L148 HydrophobicContact CG-CB 4.03Å; E128-L148 WeakPolarHBondContact OE2-CB 3.46Å; E128-L148 VanDerWaalsContact OE2-CG 3.23Å; E128-L148 WeakPolarHBondContact OE2-CG 3.49Å; E128-L148 PolarHBondContact OE2-N 3.37Å; S130-L148 WeakPolarHBondContact OG-CD1 3.37Å; F132-L148 HydrophobicContact CD2-CD2 4.13Å; F132-L148 HydrophobicContact CD2-CG 4.04Å; K136-L148 HydrophobicContact CB-CD1 4.18Å; K136-L148 HydrophobicContact CB-CD2 3.87Å; K136-L148 HydrophobicContact CD-CD1 4.32Å; H137-L148 HydrophobicContact CB-CD2 4Å; L148-W230 PolarHBondContact O-NE1 3.02Å
149P94.7Very high90.3Very high45 Ų4543.6 Ų43.629%0.29224%0.238SC..PPolyproline II helixtrans-59.6135.5176.5-24.435.4000111.9T140T140-P149 WeakPolarHBondContact OG1-CD 3.34Å
150P94.4Very high89.7Confident21 Ų2142.6 Ų42.614%0.13624%0.236CC..PPolyproline II helixtrans-71.7142.5-177.729.7-34.3000111.6V127 L226 N227 W230V127-P150 HydrophobicContact CG1-CB 3.46Å; V127-P150 VanDerWaalsContact CG1-CB 3.46Å; P150-L226 HydrophobicContact CB-CD2 3.74Å; P150-L226 HydrophobicContact CB-CG 3.89Å; P150-L226 HydrophobicContact CG-CD2 4.2Å; P150-L226 HydrophobicContact CG-CG 4.1Å; P150-N227 WeakPolarHBondContact CG-OD1 3.17Å; P150-W230 HydrophobicContact CB-CD2 3.86Å; P150-W230 HydrophobicContact CB-CE3 4.29Å; P150-W230 HydrophobicContact CB-CG 4.01Å; P150-W230 HydrophobicContact CG-CB 4.16Å; P150-W230 HydrophobicContact CG-CD2 4.27Å; P150-W230 HydrophobicContact CG-CG 3.86Å
151K90.1Very high89Confident97 Ų9740.6 Ų40.642%0.42222%0.224SC..  trans-107.693.4177.5-60.6177.1-177.5150.30110.2V127 E128 A153V127-K151 WeakPolarHBondContact O-CA 3.48Å; V127-K151 VanDerWaalsContact O-CB 3.3Å; V127-K151 WeakPolarHBondContact O-CB 3.35Å; V127-K151 PolarHBondContact O-N 3.27Å; E128-K151 WeakPolarHBondContact O-CD 3.3Å; E128-K151 VanDerWaalsContact O-CE 3.26Å; E128-K151 WeakPolarHBondContact O-CE 3.43Å; E128-K151 PolarHBondContact O-NZ 3.22Å; K151-A153 PolarHBondContact O-N 3.08Å; K151-A153 VanDerWaalsContact O-N 3.13Å
152A87.6Confident88.4Confident6 Ų633.1 Ų33.15%0.0519%0.189CC..Hα-helixtrans-58-26-176.600000115.5G154 I155 A156 Y212 F222 L226A152-G154 VanDerWaalsContact C-N 3.31Å; A152-G154 PolarHBondContact O-N 3.5Å; A152-G154 VanDerWaalsContact O-N 3.16Å; A152-I155 WeakPolarHBondContact O-CG1 3.47Å; A152-I155 PolarHBondContact O-N 3.33Å; A152-A156 VanDerWaalsContact O-CB 3.32Å; A152-A156 WeakPolarHBondContact O-CB 3.49Å; A152-A156 PolarHBondContact O-N 3.2Å; A152-Y212 HydrophobicContact CB-CE1 4.49Å; A152-Y212 HydrophobicContact CB-CE2 3.85Å; A152-Y212 WeakPolarHBondContact CB-OH 3.5Å; A152-F222 HydrophobicContact CB-CD1 3.87Å; A152-F222 HydrophobicContact CB-CE1 3.8Å; A152-L226 HydrophobicContact CB-CD2 3.67Å
153A80.1Confident87.8Confident60 Ų6033 Ų3350%0.49619%0.191SC..Hα-helixtrans-55-41.2-170.700000114.1K151 M157K151-A153 PolarHBondContact O-N 3.08Å; K151-A153 VanDerWaalsContact O-N 3.13Å; A153-M157 VanDerWaalsContact O-CB 3.28Å; A153-M157 WeakPolarHBondContact O-CB 3.49Å; A153-M157 PolarHBondContact O-N 3.32Å
154G78.4Confident87.2Confident7 Ų735.6 Ų35.67%0.07219%0.191CC..Hα-helixtrans-71-41.1-17800000112.9N125 A152 A158N125-G154 VanDerWaalsContact ND2-C 3.29Å; A152-G154 VanDerWaalsContact C-N 3.31Å; A152-G154 PolarHBondContact O-N 3.5Å; A152-G154 VanDerWaalsContact O-N 3.16Å; G154-A158 PolarHBondContact O-N 3.11Å; G154-A158 VanDerWaalsContact O-N 3.09Å
155I87.2Confident86.6Confident0 Ų036.9 Ų36.90%020%0.197CC..Hα-helixtrans-74-38.8179.158.7168.4000111.5L36 I38 N125 V127 A152 M157 A158 L159 F222 W225 L226L36-I155 HydrophobicContact CD2-CB 4.4Å; I38-I155 HydrophobicContact CG2-CG2 3.71Å; N125-I155 HydrophobicContact CB-CG2 3.73Å; N125-I155 WeakPolarHBondContact ND2-CG2 3.41Å; N125-I155 PolarHBondContact ND2-N 3.42Å; V127-I155 HydrophobicContact CG2-CG2 4.23Å; A152-I155 WeakPolarHBondContact O-CG1 3.47Å; A152-I155 PolarHBondContact O-N 3.33Å; I155-M157 VanDerWaalsContact C-N 3.3Å; I155-M157 PolarHBondContact O-N 3.02Å; I155-A158 PolarHBondContact O-N 3.38Å; I155-L159 WeakPolarHBondContact O-CB 3.34Å; I155-L159 WeakPolarHBondContact O-CG 3.15Å; I155-L159 PolarHBondContact O-N 2.9Å; I155-F222 HydrophobicContact CD1-CE1 3.7Å; I155-F222 HydrophobicContact CD1-CZ 3.8Å; I155-F222 HydrophobicContact CG1-CE1 3.73Å; I155-F222 HydrophobicContact CG1-CZ 3.77Å; I155-W225 HydrophobicContact CD1-CH2 4.39Å; I155-W225 HydrophobicContact CD1-CZ3 3.85Å; I155-L226 HydrophobicContact CD1-CD1 3.54Å; I155-L226 HydrophobicContact CD1-CD2 3.67Å; I155-L226 HydrophobicContact CD1-CG 4.15Å
156A86.4Confident86.3Confident6 Ų631.3 Ų31.35%0.0517%0.171CC..Hα-helixtrans-62.6-39.9175.500000111.1A152 N160 Y212 F222A152-A156 VanDerWaalsContact O-CB 3.32Å; A152-A156 WeakPolarHBondContact O-CB 3.49Å; A152-A156 PolarHBondContact O-N 3.2Å; A156-N160 VanDerWaalsContact O-CB 3.27Å; A156-N160 WeakPolarHBondContact O-CB 3.41Å; A156-N160 PolarHBondContact O-N 2.84Å; A156-Y212 HydrophobicContact CB-CD1 3.9Å; A156-Y212 HydrophobicContact CB-CD2 3.8Å; A156-Y212 HydrophobicContact CB-CE2 4.47Å; A156-Y212 HydrophobicContact CB-CG 3.49Å; A156-Y212 VanDerWaalsContact CB-CG 3.49Å; A156-F222 HydrophobicContact CB-CD1 4.43Å; A156-F222 HydrophobicContact CB-CE1 3.91Å; A156-F222 HydrophobicContact CB-CE2 4.35Å; A156-F222 HydrophobicContact CB-CZ 3.87Å
157M79Confident86Confident26 Ų2634.1 Ų34.113%0.12819%0.186CC..Hα-helixtrans-64.9-44.1174.6-174.1175.5-61.200112V106 T109 A153 I155 L159 N160 V161V106-M157 HydrophobicContact CB-CE 4.16Å; V106-M157 HydrophobicContact CG2-CE 3.58Å; T109-M157 WeakPolarHBondContact CB-SD 3.24Å; T109-M157 HydrophobicContact CG2-CG 3.9Å; T109-M157 HydrophobicContact CG2-SD 3.32Å; T109-M157 WeakPolarHBondContact CG2-SD 3.13Å; A153-M157 VanDerWaalsContact O-CB 3.28Å; A153-M157 WeakPolarHBondContact O-CB 3.49Å; A153-M157 PolarHBondContact O-N 3.32Å; I155-M157 VanDerWaalsContact C-N 3.3Å; I155-M157 PolarHBondContact O-N 3.02Å; M157-L159 PolarHBondContact O-N 2.81Å; M157-N160 PolarHBondContact O-N 2.78Å; M157-V161 WeakPolarHBondContact O-CG2 3.5Å; M157-V161 PolarHBondContact O-N 2.84Å
158A82.5Confident85.8Confident0 Ų037.5 Ų37.50%020%0.201CC..Hα-helixtrans-59.2-48.317700000111.4L36 F64 G154 I155 N160 V161 L162 F166L36-A158 HydrophobicContact CD1-CB 4.07Å; F64-A158 HydrophobicContact CE2-CB 3.63Å; F64-A158 HydrophobicContact CZ-CB 3.76Å; G154-A158 PolarHBondContact O-N 3.11Å; G154-A158 VanDerWaalsContact O-N 3.09Å; I155-A158 PolarHBondContact O-N 3.38Å; A158-N160 VanDerWaalsContact C-N 3.33Å; A158-N160 PolarHBondContact O-N 3.16Å; A158-V161 PolarHBondContact O-N 2.91Å; A158-L162 PolarHBondContact O-N 2.95Å; A158-F166 HydrophobicContact CB-CE2 4.3Å; A158-F166 HydrophobicContact CB-CZ 4.3Å
159L87.9Confident85.8Confident3 Ų337.5 Ų37.52%0.01620%0.201CC..Hα-helixtrans-64.9-34.4177.8-72168.1000112.5L36 I155 M157 G163 F166 I204 L208 F222L36-L159 HydrophobicContact CD2-CD1 4.09Å; L36-L159 HydrophobicContact CD2-CD2 3.82Å; L36-L159 HydrophobicContact CD2-CG 3.72Å; I155-L159 WeakPolarHBondContact O-CB 3.34Å; I155-L159 WeakPolarHBondContact O-CG 3.15Å; I155-L159 PolarHBondContact O-N 2.9Å; M157-L159 PolarHBondContact O-N 2.81Å; L159-G163 WeakPolarHBondContact O-CA 3.4Å; L159-G163 PolarHBondContact O-N 3.29Å; L159-F166 HydrophobicContact CD2-CD2 4.01Å; L159-F166 HydrophobicContact CD2-CE2 4.34Å; L159-I204 HydrophobicContact CD2-CD1 4.1Å; L159-I204 HydrophobicContact CD2-CG2 3.82Å; L159-L208 HydrophobicContact CD1-CB 4.25Å; L159-F222 HydrophobicContact CD1-CE2 3.68Å; L159-F222 HydrophobicContact CD1-CZ 3.86Å
160N82.3Confident85.8Confident98 Ų9835.3 Ų35.352%0.52419%0.187SC..Hα-helixtrans-70.6-37.1177-171.743.1000112.3A156 M157 A158A156-N160 VanDerWaalsContact O-CB 3.27Å; A156-N160 WeakPolarHBondContact O-CB 3.41Å; A156-N160 PolarHBondContact O-N 2.84Å; M157-N160 PolarHBondContact O-N 2.78Å; A158-N160 VanDerWaalsContact C-N 3.33Å; A158-N160 PolarHBondContact O-N 3.16Å
161V76.5Confident85.9Confident24 Ų2434.7 Ų34.715%0.14518%0.182CC..Hα-helixtrans-81.5-44.2-177177.80000112.5R110 C113 E114 M157 A158R110-V161 HydrophobicContact CB-CG1 4.42Å; R110-V161 HydrophobicContact CB-CG2 4.03Å; R110-V161 HydrophobicContact CG-CG1 3.9Å; R110-V161 HydrophobicContact CG-CG2 3.97Å; C113-V161 HydrophobicContact CB-CB 4.03Å; C113-V161 HydrophobicContact CB-CG1 3.48Å; C113-V161 VanDerWaalsContact CB-CG1 3.48Å; E114-V161 HydrophobicContact CG-CG1 4.39Å; M157-V161 WeakPolarHBondContact O-CG2 3.5Å; M157-V161 PolarHBondContact O-N 2.84Å; A158-V161 PolarHBondContact O-N 2.91Å
162L80.2Confident86.3Confident7 Ų730.1 Ų30.14%0.03716%0.162CC..Hα-helixtrans-95-30-176.8-74.4168.4000112.6C113 R117 I123 A158 K164 Q165 F166C113-L162 HydrophobicContact CB-CD1 4.15Å; C113-L162 HydrophobicContact CB-CG 4.11Å; C113-L162 WeakPolarHBondContact O-CD2 3.47Å; R117-L162 HydrophobicContact CG-CD2 3.65Å; I123-L162 HydrophobicContact CD1-CD1 3.22Å; I123-L162 HydrophobicContact CG1-CD1 4.43Å; A158-L162 PolarHBondContact O-N 2.95Å; L162-K164 PolarHBondContact O-N 3.31Å; L162-Q165 HydrophobicContact CB-CB 4.46Å; L162-Q165 HydrophobicContact CD2-CB 4.47Å; L162-Q165 WeakPolarHBondContact O-CB 3.49Å; L162-Q165 PolarHBondContact O-N 2.9Å; L162-F166 HydrophobicContact CB-CD2 3.88Å; L162-F166 HydrophobicContact CB-CE2 3.54Å; L162-F166 HydrophobicContact CB-CZ 3.96Å; L162-F166 HydrophobicContact CD1-CE1 3.95Å; L162-F166 HydrophobicContact CD1-CE2 3.96Å; L162-F166 HydrophobicContact CD1-CZ 3.48Å; L162-F166 VanDerWaalsContact CD1-CZ 3.48Å; L162-F166 HydrophobicContact CG-CE2 4.38Å; L162-F166 HydrophobicContact CG-CZ 4.36Å
163G80.8Confident86.8Confident12 Ų1230 Ų3012%0.12416%0.161CC..G310 helixtrans48.3-122.7173.400000112.8L159 Q165 F166 H209L159-G163 WeakPolarHBondContact O-CA 3.4Å; L159-G163 PolarHBondContact O-N 3.29Å; G163-Q165 PolarHBondContact O-N 2.85Å; G163-F166 PolarHBondContact O-N 3.09Å; G163-F166 VanDerWaalsContact O-N 3.12Å; G163-H209 VanDerWaalsContact C-CE1 3.41Å; G163-H209 VanDerWaalsContact CA-CE1 3.49Å; G163-H209 WeakPolarHBondContact CA-CE1 3.32Å
164K81.5Confident87.6Confident179 Ų17927.1 Ų27.178%0.77814%0.137SC*.G310 helixtrans-63.2-7.5-179.4-60.6-168.6174.9-167.90114.8L162 F166L162-K164 PolarHBondContact O-N 3.31Å; K164-F166 VanDerWaalsContact C-N 3.29Å
165Q85Confident88.4Confident36 Ų3626.9 Ų26.917%0.16813%0.134CC..G310 helixtrans-73.4-25173.3-172.7143.616.200112.3W34 R117 L162 G163 D167W34-Q165 WeakPolarHBondContact CB-O 3.45Å; W34-Q165 HydrophobicContact CD2-CG 4.12Å; W34-Q165 HydrophobicContact CG-CG 4.04Å; R117-Q165 PolarHBondContact O-NE2 3.01Å; L162-Q165 HydrophobicContact CB-CB 4.46Å; L162-Q165 HydrophobicContact CD2-CB 4.47Å; L162-Q165 WeakPolarHBondContact O-CB 3.49Å; L162-Q165 PolarHBondContact O-N 2.9Å; G163-Q165 PolarHBondContact O-N 2.85Å; Q165-D167 PolarHBondContact O-N 2.77Å
166F88.3Confident88.8Confident10 Ų1026.9 Ų26.94%0.04413%0.134CC..  trans-73.6124.9170.3-68.5-63.5000109.9W34 Y35 L36 I123 A158 L159 L162 G163 K164 I204W34-F166 HydrophobicContact CB-CD1 4.24Å; Y35-F166 VanDerWaalsContact C-CD1 3.45Å; Y35-F166 WeakPolarHBondContact O-CE1 3.48Å; L36-F166 HydrophobicContact CB-CD1 4.07Å; L36-F166 HydrophobicContact CB-CD2 4.43Å; L36-F166 HydrophobicContact CB-CE1 3.92Å; L36-F166 HydrophobicContact CB-CE2 4.27Å; L36-F166 HydrophobicContact CB-CG 4.31Å; L36-F166 HydrophobicContact CB-CZ 4Å; L36-F166 HydrophobicContact CD1-CZ 4.25Å; I123-F166 HydrophobicContact CB-CE1 4.35Å; I123-F166 HydrophobicContact CB-CZ 4.39Å; I123-F166 HydrophobicContact CD1-CE1 4.09Å; I123-F166 HydrophobicContact CD1-CZ 3.84Å; I123-F166 HydrophobicContact CG1-CE1 4.13Å; I123-F166 HydrophobicContact CG1-CZ 4.29Å; A158-F166 HydrophobicContact CB-CE2 4.3Å; A158-F166 HydrophobicContact CB-CZ 4.3Å; L159-F166 HydrophobicContact CD2-CD2 4.01Å; L159-F166 HydrophobicContact CD2-CE2 4.34Å; L162-F166 HydrophobicContact CB-CD2 3.88Å; L162-F166 HydrophobicContact CB-CE2 3.54Å; L162-F166 HydrophobicContact CB-CZ 3.96Å; L162-F166 HydrophobicContact CD1-CE1 3.95Å; L162-F166 HydrophobicContact CD1-CE2 3.96Å; L162-F166 HydrophobicContact CD1-CZ 3.48Å; L162-F166 VanDerWaalsContact CD1-CZ 3.48Å; L162-F166 HydrophobicContact CG-CE2 4.38Å; L162-F166 HydrophobicContact CG-CZ 4.36Å; G163-F166 PolarHBondContact O-N 3.09Å; G163-F166 VanDerWaalsContact O-N 3.12Å; K164-F166 VanDerWaalsContact C-N 3.29Å; F166-I204 HydrophobicContact CB-CD1 3.23Å; F166-I204 HydrophobicContact CD2-CD1 4.37Å; F166-I204 HydrophobicContact CG-CD1 4.04Å
167D90.5Very high89Confident77 Ų7726.8 Ų26.841%0.41213%0.133SC..  trans-75.8-41.9174.8-60.1-72.2000110.6N33 W34 Q165N33-D167 WeakPolarHBondContact CA-OD2 3.43Å; N33-D167 HydrophobicContact CB-CB 4.07Å; N33-D167 VanDerWaalsContact CB-OD2 3.26Å; N33-D167 WeakPolarHBondContact CB-OD2 3.28Å; W34-D167 PolarHBondContact N-OD2 2.78Å; W34-D167 PolarHBondContact O-N 3.37Å; Q165-D167 PolarHBondContact O-N 2.77Å
168K92.9Very high89.6Confident70 Ų7028.5 Ų28.530%0.30414%0.143SC..EExtended strand (participates in β ladder)trans-150.8155.1-171.9-57.7-175.1-179.1-177.70113.1W34 Y35 L36 L201W34-K168 PolarHBondContact O-N 3.37Å; Y35-K168 WeakPolarHBondContact CA-O 3.32Å; Y35-K168 HydrophobicContact CD1-CB 3.92Å; Y35-K168 HydrophobicContact CE1-CB 3.98Å; Y35-K168 HydrophobicContact CE1-CD 4.43Å; L36-K168 PolarHBondContact N-O 3.34Å; K168-L201 HydrophobicContact CB-CD1 3.64Å; K168-L201 HydrophobicContact CB-CG 4.44Å; K168-L201 HydrophobicContact CD-CD1 3.54Å; K168-L201 HydrophobicContact CD-CD2 3.65Å; K168-L201 HydrophobicContact CD-CG 3.65Å; K168-L201 HydrophobicContact CG-CD1 4.2Å
169L94.8Very high90.1Very high3 Ų329.2 Ų29.22%0.01615%0.147CC..EExtended strand (participates in β ladder)trans-94.2129.3169.3176.467.1000109.4L36 I38 Q202 I204 W225 L229L36-L169 HydrophobicContact CB-CD1 4.15Å; L36-L169 HydrophobicContact CD2-CD1 4.1Å; L36-L169 HydrophobicContact CG-CD1 3.98Å; L36-L169 CarbonylContact O-C 3.59Å; L36-L169 WeakPolarHBondContact O-CA 3.36Å; L36-L169 WeakPolarHBondContact O-CD1 3.47Å; I38-L169 HydrophobicContact CD1-CD1 4.1Å; I38-L169 HydrophobicContact CD1-CD2 4.25Å; I38-L169 HydrophobicContact CD1-CG 4.48Å; I38-L169 HydrophobicContact CG1-CD1 3.97Å; I38-L169 HydrophobicContact CG2-CD1 3.89Å; L169-Q202 HydrophobicContact CB-CB 4.28Å; L169-Q202 HydrophobicContact CD2-CB 4.5Å; L169-Q202 PolarHBondContact N-O 2.85Å; L169-Q202 PolarHBondContact O-N 3.2Å; L169-I204 HydrophobicContact CB-CD1 4.49Å; L169-I204 HydrophobicContact CB-CG1 3.86Å; L169-W225 HydrophobicContact CD2-CH2 4.06Å; L169-W225 HydrophobicContact CD2-CZ2 3.64Å; L169-L229 HydrophobicContact CD2-CD1 4.3Å
170L96.3Very high89.9Confident0 Ų032.5 Ų32.50%017%0.165CC..EExtended strand (participates in β ladder)trans-101.4100.7171.2-66.7172.9000109L29 Y35 L36 L37 I38 I58 V172 V199 L201L29-L170 HydrophobicContact CD2-CD2 3.43Å; L29-L170 VanDerWaalsContact CD2-CD2 3.43Å; Y35-L170 HydrophobicContact CD1-CD1 3.68Å; Y35-L170 HydrophobicContact CD1-CD2 4.03Å; Y35-L170 HydrophobicContact CD1-CG 3.61Å; Y35-L170 HydrophobicContact CD2-CD1 4.2Å; Y35-L170 HydrophobicContact CE1-CD1 4.4Å; Y35-L170 HydrophobicContact CE1-CD2 4.31Å; Y35-L170 HydrophobicContact CE1-CG 4.36Å; Y35-L170 HydrophobicContact CG-CD1 3.55Å; Y35-L170 HydrophobicContact CG-CG 3.97Å; L36-L170 PolarHBondContact O-N 3.21Å; L37-L170 CarbonylContact C-O 3.58Å; L37-L170 WeakPolarHBondContact CA-O 3.18Å; L37-L170 HydrophobicContact CB-CB 4.02Å; L37-L170 HydrophobicContact CB-CD1 4.44Å; L37-L170 HydrophobicContact CD1-CB 4.26Å; L37-L170 HydrophobicContact CD1-CD1 4.08Å; L37-L170 HydrophobicContact CG-CB 3.88Å; L37-L170 HydrophobicContact CG-CD1 4.49Å; I38-L170 PolarHBondContact N-O 3.45Å; I58-L170 HydrophobicContact CD1-CD1 3.85Å; I58-L170 HydrophobicContact CG2-CD1 4.06Å; L170-V172 HydrophobicContact CB-CG2 4.32Å; L170-V172 PolarHBondContact O-N 2.95Å; L170-V199 HydrophobicContact CD2-CG1 4.06Å; L170-L201 HydrophobicContact CD2-CD1 3.33Å; L170-L201 HydrophobicContact CG-CD1 4.28Å
171N96.8Very high90.2Very high8 Ų839 Ų394%0.04318%0.182CC..EExtended strand (participates in β ladder)trans-88.295.7175.2-17721.2000109.8I38 D200 K233I38-N171 HydrophobicContact CD1-CB 4.28Å; I38-N171 HydrophobicContact CG1-CB 4.14Å; N171-D200 HydrophobicContact CB-CB 4.18Å; N171-D200 PolarHBondContact N-O 2.94Å; N171-D200 PolarHBondContact O-N 3.2Å; N171-K233 WeakPolarHBondContact OD1-CE 3.33Å; N171-K233 PolarHBondContact OD1-NZ 3.46Å
172V97.9Very high90.8Very high0 Ų042.9 Ų42.90%020%0.198CC..EExtended strand (participates in β ladder)trans-100.3132.6-173.3-176.70000111.1L37 I38 C39 L50 F54 L170 L174 V197 H198 V199 K233L37-V172 HydrophobicContact CD1-CG2 3.91Å; L37-V172 HydrophobicContact CD2-CB 4.24Å; L37-V172 HydrophobicContact CD2-CG2 3.97Å; L37-V172 HydrophobicContact CG-CG2 3.78Å; I38-V172 PolarHBondContact O-N 3.12Å; C39-V172 WeakPolarHBondContact CA-O 3.31Å; C39-V172 HydrophobicContact CB-CB 4.34Å; L50-V172 HydrophobicContact CD2-CG1 3.91Å; F54-V172 HydrophobicContact CE2-CG2 4.07Å; F54-V172 HydrophobicContact CZ-CG2 3.93Å; L170-V172 HydrophobicContact CB-CG2 4.32Å; L170-V172 PolarHBondContact O-N 2.95Å; V172-L174 HydrophobicContact CG1-CD2 4.39Å; V172-L174 HydrophobicContact CG1-CG 4.31Å; V172-V197 HydrophobicContact CG1-CG1 3.73Å; V172-H198 CarbonylContact C-O 3.56Å; V172-H198 WeakPolarHBondContact CA-O 3.3Å; V172-V199 HydrophobicContact CG2-CG1 4.3Å; V172-V199 HydrophobicContact CG2-CG2 4.34Å; V172-K233 PolarHBondContact O-NZ 2.86Å
173T97.9Very high91.4Very high3 Ų342.9 Ų42.92%0.01820%0.198CC..EExtended strand (participates in β ladder)trans-115.1119.3174.9-51.80000108.8N40 V197 H198 K233 L236 L237N40-T173 WeakPolarHBondContact OD1-CA 3.16Å; T173-V197 WeakPolarHBondContact O-CA 3.41Å; T173-H198 PolarHBondContact N-O 3.22Å; T173-H198 PolarHBondContact O-N 2.8Å; T173-K233 HydrophobicContact CG2-CG 3.86Å; T173-K233 WeakPolarHBondContact OG1-CG 3.47Å; T173-K233 PolarHBondContact OG1-NZ 3Å; T173-L236 HydrophobicContact CG2-CD2 4.14Å; T173-L236 HydrophobicContact CG2-CG 4.46Å; T173-L237 HydrophobicContact CG2-CD1 4.45Å; T173-L237 HydrophobicContact CG2-CD2 3.59Å; T173-L237 HydrophobicContact CG2-CG 3.71Å
174L96.5Very high91.9Very high0 Ų045.2 Ų45.20%021%0.206CC..EExtended strand (participates in β ladder)trans-106.7128.6177.1-68.2174.2000110.6C39 N40 D46 V49 L50 V172 V197C39-L174 VanDerWaalsContact SG-CD1 3.53Å; N40-L174 PolarHBondContact ND2-O 3.39Å; N40-L174 PolarHBondContact OD1-N 3.29Å; D46-L174 HydrophobicContact CB-CD1 3.67Å; V49-L174 HydrophobicContact CG1-CD2 3.78Å; L50-L174 HydrophobicContact CD1-CD1 4.4Å; L50-L174 HydrophobicContact CD2-CD1 4.21Å; L50-L174 HydrophobicContact CD2-CD2 4.5Å; L50-L174 HydrophobicContact CG-CD1 4.07Å; V172-L174 HydrophobicContact CG1-CD2 4.39Å; V172-L174 HydrophobicContact CG1-CG 4.31Å; L174-V197 HydrophobicContact CD2-CB 4.1Å; L174-V197 HydrophobicContact CD2-CG1 3.74Å; L174-V197 HydrophobicContact CD2-CG2 3.5Å; L174-V197 VanDerWaalsContact CD2-CG2 3.5Å
175C95.6Very high92.4Very high2 Ų243 Ų431%0.01420%0.196CC..EExtended strand (participates in β ladder)trans-132.1140.9173.7-164.60000110.8P177 V196 L237 L240C175-P177 VanDerWaalsContact C-CD 3.42Å; C175-P177 WeakPolarHBondContact O-CD 3.34Å; C175-V196 HydrophobicContact CB-CB 4.29Å; C175-V196 PolarHBondContact N-O 2.82Å; C175-V196 PolarHBondContact O-N 3.31Å; C175-L237 HydrophobicContact CB-CD2 3.97Å; C175-L240 HydrophobicContact CB-CB 4.45Å; C175-L240 HydrophobicContact CB-CD1 4.2Å
176Y95Very high92.8Very high0 Ų042.7 Ų42.70%020%0.195CC..  trans-119.167174.8-57.1-77000108.3R42 A45 D46 V49 D178 N179 N180 P183 L192 I195R42-Y176 HydrophobicContact CB-CD2 4.34Å; R42-Y176 HydrophobicContact CB-CE2 4.25Å; A45-Y176 VanDerWaalsContact C-OH 3.3Å; A45-Y176 HydrophobicContact CB-CE1 4.33Å; D46-Y176 VanDerWaalsContact CA-OH 3.28Å; D46-Y176 WeakPolarHBondContact CA-OH 3.48Å; D46-Y176 PolarHBondContact N-OH 3.01Å; D46-Y176 VanDerWaalsContact N-OH 3.16Å; D46-Y176 VanDerWaalsContact OD1-CE2 3.28Å; D46-Y176 WeakPolarHBondContact OD1-CE2 3.43Å; D46-Y176 PolarHBondContact OD1-OH 3.36Å; V49-Y176 HydrophobicContact CG2-CE1 4.05Å; Y176-D178 PolarHBondContact O-N 2.98Å; Y176-D178 VanDerWaalsContact O-N 3.08Å; Y176-N179 CarbonylContact O-C 3.47Å; Y176-N179 PolarHBondContact O-N 2.8Å; Y176-N180 VanDerWaalsContact O-CG 3.25Å; Y176-N180 PolarHBondContact O-N 3.16Å; Y176-N180 VanDerWaalsContact O-N 3.14Å; Y176-N180 PolarHBondContact O-OD1 3.06Å; Y176-P183 HydrophobicContact CD1-CB 3.99Å; Y176-P183 HydrophobicContact CD2-CB 3.72Å; Y176-P183 HydrophobicContact CD2-CG 3.55Å; Y176-P183 HydrophobicContact CE1-CB 4.28Å; Y176-P183 HydrophobicContact CE2-CB 4.06Å; Y176-P183 HydrophobicContact CE2-CG 4.18Å; Y176-P183 HydrophobicContact CG-CB 3.67Å; Y176-P183 HydrophobicContact CG-CG 3.78Å; Y176-L192 HydrophobicContact CD1-CD1 4.01Å; Y176-I195 HydrophobicContact CD1-CG1 4.16Å; Y176-I195 HydrophobicContact CE1-CG1 4.06Å; Y176-I195 HydrophobicContact CE1-CG2 4.2Å
177P91.6Very high93Very high4 Ų442.7 Ų42.73%0.02620%0.196CC..G310 helixtrans-50.9-44.3-16618.9-31.6000111.6C175 N180 R194 V196 Q244C175-P177 VanDerWaalsContact C-CD 3.42Å; C175-P177 WeakPolarHBondContact O-CD 3.34Å; P177-N180 PolarHBondContact O-ND2 3.2Å; P177-R194 HydrophobicContact CG-CB 4.28Å; P177-R194 HydrophobicContact CG-CG 4.3Å; P177-V196 HydrophobicContact CG-CG2 3.83Å; P177-Q244 VanDerWaalsContact C-CD 3.47Å; P177-Q244 HydrophobicContact CB-CG 3.74Å; P177-Q244 VanDerWaalsContact O-CD 3.25Å; P177-Q244 PolarHBondContact O-NE2 2.62Å; P177-Q244 PolarHBondContact O-OE1 2.95Å; P177-Q244 VanDerWaalsContact O-OE1 3.06Å
178D91.2Very high92.9Very high62 Ų6243.7 Ų43.733%0.33220%0.2SC..G310 helixtrans-84.7-10.9-174.4-55.7-72.1000114.1Y176 T193 R194 Q244Y176-D178 PolarHBondContact O-N 2.98Å; Y176-D178 VanDerWaalsContact O-N 3.08Å; D178-T193 VanDerWaalsContact CB-OG1 3.24Å; D178-T193 WeakPolarHBondContact CB-OG1 3.4Å; D178-R194 IonicContact OD1-NH2 3.44Å; D178-R194 WeakPolarHBondContact OD2-CB 3.42Å; D178-R194 IonicContact OD2-CZ 3.64Å; D178-R194 IonicContact OD2-NE 3.06Å; D178-R194 PolarHBondContact OD2-NE 3.19Å; D178-R194 IonicContact OD2-NH2 3.44Å; D178-R194 PolarHBondContact OD2-NH2 3.29Å; D178-Q244 VanDerWaalsContact CA-NE2 3.32Å; D178-Q244 VanDerWaalsContact CG-NE2 3.26Å; D178-Q244 PolarHBondContact OD1-NE2 2.8Å
179N92.3Very high92.8Very high15 Ų1543.5 Ų43.58%0.0821%0.208CC..G310 helixtrans-136.634.2-172.6-6596.2000113.9Y176 R181 Q182 P183 D186 K191 L192 T193Y176-N179 CarbonylContact O-C 3.47Å; Y176-N179 PolarHBondContact O-N 2.8Å; N179-R181 PolarHBondContact O-N 3.16Å; N179-Q182 PolarHBondContact O-N 2.8Å; N179-P183 WeakPolarHBondContact O-CD 3.47Å; N179-P183 VanDerWaalsContact O-CG 3.24Å; N179-P183 WeakPolarHBondContact O-CG 3.43Å; N179-D186 HydrophobicContact CB-CB 4.26Å; N179-D186 WeakPolarHBondContact CB-OD2 3.39Å; N179-D186 WeakPolarHBondContact ND2-CB 3.41Å; N179-D186 VanDerWaalsContact ND2-CG 3.25Å; N179-D186 PolarHBondContact ND2-OD2 3.04Å; N179-K191 PolarHBondContact ND2-O 3.29Å; N179-L192 HydrophobicContact CB-CD1 3.69Å; N179-L192 WeakPolarHBondContact OD1-CA 3.33Å; N179-T193 PolarHBondContact OD1-N 3.08Å; N179-T193 PolarHBondContact OD1-OG1 3.08Å
180N84.6Confident92.6Very high73 Ų7344.9 Ų44.939%0.3922%0.223SC..THydrogen-bonded Turntrans-58-25.1-171.8-78.8-42.2000115.8Y176 P177Y176-N180 VanDerWaalsContact O-CG 3.25Å; Y176-N180 PolarHBondContact O-N 3.16Å; Y176-N180 VanDerWaalsContact O-N 3.14Å; Y176-N180 PolarHBondContact O-OD1 3.06Å; P177-N180 PolarHBondContact O-ND2 3.2Å
181R87Confident92.4Very high234 Ų23451.7 Ų51.788%0.88325%0.253SS*.THydrogen-bonded Turntrans-75.8-44.2-175.9-62.9-178.188.4172.56.3112.3N179N179-R181 PolarHBondContact O-N 3.16Å
182Q90.2Very high92.2Very high105 Ų10551.4 Ų51.449%0.49125%0.251SS..  trans-143.750.5-169.3-43.1-170.134.300113.8N179 F184 F185 D186N179-Q182 PolarHBondContact O-N 2.8Å; Q182-F184 PolarHBondContact O-N 2.98Å; Q182-F185 HydrophobicContact CB-CB 4.24Å; Q182-F185 HydrophobicContact CB-CD2 4.33Å; Q182-F185 PolarHBondContact O-N 3.04Å; Q182-D186 PolarHBondContact O-N 3.09Å
183P92.5Very high92Very high7 Ų754.1 Ų54.15%0.04527%0.268CS..Hα-helixtrans-53.4-35.3-169.5-21.627.3000114.4A45 Y176 N179 M187 L192A45-P183 HydrophobicContact CB-CB 4.16Å; Y176-P183 HydrophobicContact CD1-CB 3.99Å; Y176-P183 HydrophobicContact CD2-CB 3.72Å; Y176-P183 HydrophobicContact CD2-CG 3.55Å; Y176-P183 HydrophobicContact CE1-CB 4.28Å; Y176-P183 HydrophobicContact CE2-CB 4.06Å; Y176-P183 HydrophobicContact CE2-CG 4.18Å; Y176-P183 HydrophobicContact CG-CB 3.67Å; Y176-P183 HydrophobicContact CG-CG 3.78Å; N179-P183 WeakPolarHBondContact O-CD 3.47Å; N179-P183 VanDerWaalsContact O-CG 3.24Å; N179-P183 WeakPolarHBondContact O-CG 3.43Å; P183-M187 WeakPolarHBondContact O-CB 3.39Å; P183-M187 PolarHBondContact O-N 3.17Å; P183-L192 HydrophobicContact CB-CD1 4.48Å
184F91.4Very high91.8Very high62 Ų6255.8 Ų55.827%0.27227%0.274SS..Hα-helixtrans-69.9-41.9179.5-175.6-107.2000113.5W44 A45 Q182 M187 L188W44-F184 HydrophobicContact CB-CB 4.18Å; W44-F184 HydrophobicContact CB-CD1 4.22Å; W44-F184 HydrophobicContact CB-CD2 3.51Å; W44-F184 HydrophobicContact CB-CE2 3.86Å; W44-F184 HydrophobicContact CB-CG 3.7Å; W44-F184 HydrophobicContact CB-CZ 4.36Å; A45-F184 HydrophobicContact CB-CB 4.3Å; A45-F184 HydrophobicContact CB-CD2 4.41Å; Q182-F184 PolarHBondContact O-N 2.98Å; F184-M187 HydrophobicContact CD2-CE 3.42Å; F184-M187 VanDerWaalsContact CD2-CE 3.42Å; F184-M187 HydrophobicContact CE2-CE 3.56Å; F184-M187 HydrophobicContact CG-CE 4.49Å; F184-M187 WeakPolarHBondContact O-CB 3.37Å; F184-M187 PolarHBondContact O-N 2.72Å; F184-L188 HydrophobicContact CD1-CD1 4.12Å; F184-L188 HydrophobicContact CE1-CD1 3.57Å; F184-L188 HydrophobicContact CE1-CG 4.43Å; F184-L188 HydrophobicContact CZ-CD1 3.81Å; F184-L188 HydrophobicContact CZ-CG 4.37Å; F184-L188 WeakPolarHBondContact O-CG 3.2Å; F184-L188 PolarHBondContact O-N 3.48Å; F184-L188 VanDerWaalsContact O-N 3.14Å
185F92.1Very high91.8Very high132 Ų13255.8 Ų55.858%0.57927%0.274SS*.Hα-helixtrans-70.9-38.5176.3-73.4-77.5000110.9Q182 M187 L188 S189Q182-F185 HydrophobicContact CB-CB 4.24Å; Q182-F185 HydrophobicContact CB-CD2 4.33Å; Q182-F185 PolarHBondContact O-N 3.04Å; F185-M187 VanDerWaalsContact C-N 3.28Å; F185-M187 PolarHBondContact O-N 3.14Å; F185-L188 PolarHBondContact O-N 2.83Å; F185-S189 WeakPolarHBondContact O-CB 3.49Å; F185-S189 PolarHBondContact O-N 3.36Å; F185-S189 PolarHBondContact O-OG 2.86Å
186D92.8Very high91.8Very high29 Ų2955.9 Ų55.916%0.15527%0.274CS..Hα-helixtrans-64.4-36.1175.5-66.2-25.2000111.2N179 Q182 S189 G190 K191 L192N179-D186 HydrophobicContact CB-CB 4.26Å; N179-D186 WeakPolarHBondContact CB-OD2 3.39Å; N179-D186 WeakPolarHBondContact ND2-CB 3.41Å; N179-D186 VanDerWaalsContact ND2-CG 3.25Å; N179-D186 PolarHBondContact ND2-OD2 3.04Å; Q182-D186 PolarHBondContact O-N 3.09Å; D186-S189 WeakPolarHBondContact CA-OG 3.24Å; D186-S189 PolarHBondContact O-N 3.1Å; D186-S189 PolarHBondContact O-OG 3.34Å; D186-G190 PolarHBondContact O-N 3.45Å; D186-G190 VanDerWaalsContact O-N 3.14Å; D186-K191 HydrophobicContact CB-CB 4.13Å; D186-K191 PolarHBondContact O-N 3.4Å; D186-L192 HydrophobicContact CB-CB 4.37Å; D186-L192 PolarHBondContact O-N 2.85Å
187M92.7Very high91.9Very high10 Ų1055.9 Ų55.95%0.04927%0.274CS..Hα-helixtrans-61.1-48.2172.5-173.7178.67000112.1L13 A45 V48 P183 F184 F185 S189 G190 L192L13-M187 HydrophobicContact CD2-CG 3.41Å; L13-M187 VanDerWaalsContact CD2-CG 3.41Å; L13-M187 HydrophobicContact CD2-SD 3.8Å; A45-M187 HydrophobicContact CB-CE 4.25Å; A45-M187 HydrophobicContact CB-SD 3.94Å; V48-M187 HydrophobicContact CB-CE 3.99Å; V48-M187 HydrophobicContact CB-SD 4Å; V48-M187 HydrophobicContact CG1-CE 3.99Å; V48-M187 HydrophobicContact CG1-SD 3.68Å; V48-M187 HydrophobicContact CG2-CE 3.88Å; P183-M187 WeakPolarHBondContact O-CB 3.39Å; P183-M187 PolarHBondContact O-N 3.17Å; F184-M187 HydrophobicContact CD2-CE 3.42Å; F184-M187 VanDerWaalsContact CD2-CE 3.42Å; F184-M187 HydrophobicContact CE2-CE 3.56Å; F184-M187 HydrophobicContact CG-CE 4.49Å; F184-M187 WeakPolarHBondContact O-CB 3.37Å; F184-M187 PolarHBondContact O-N 2.72Å; F185-M187 VanDerWaalsContact C-N 3.28Å; F185-M187 PolarHBondContact O-N 3.14Å; M187-S189 VanDerWaalsContact C-N 3.34Å; M187-G190 PolarHBondContact O-N 3.4Å; M187-L192 HydrophobicContact CB-CB 4.48Å; M187-L192 HydrophobicContact CB-CD2 3.95Å; M187-L192 HydrophobicContact CG-CD2 4.14Å
188L89Confident92.2Very high98 Ų9858.6 Ų58.651%0.51329%0.287SS..Hα-helixtrans-70.5-29.7-179-67.1177.5000113.2L12 F184 F185L12-L188 HydrophobicContact CD2-CD2 4.31Å; F184-L188 HydrophobicContact CD1-CD1 4.12Å; F184-L188 HydrophobicContact CE1-CD1 3.57Å; F184-L188 HydrophobicContact CE1-CG 4.43Å; F184-L188 HydrophobicContact CZ-CD1 3.81Å; F184-L188 HydrophobicContact CZ-CG 4.37Å; F184-L188 WeakPolarHBondContact O-CG 3.2Å; F184-L188 PolarHBondContact O-N 3.48Å; F184-L188 VanDerWaalsContact O-N 3.14Å; F185-L188 PolarHBondContact O-N 2.83Å
189S90.7Very high92.5Very high66 Ų6655.8 Ų55.846%0.46227%0.272SS..THydrogen-bonded Turntrans-92.74.6-179.759.60000114F185 D186 M187 K191F185-S189 WeakPolarHBondContact O-CB 3.49Å; F185-S189 PolarHBondContact O-N 3.36Å; F185-S189 PolarHBondContact O-OG 2.86Å; D186-S189 WeakPolarHBondContact CA-OG 3.24Å; D186-S189 PolarHBondContact O-N 3.1Å; D186-S189 PolarHBondContact O-OG 3.34Å; M187-S189 VanDerWaalsContact C-N 3.34Å; S189-K191 PolarHBondContact O-N 3.06Å
190G90.2Very high92.7Very high33 Ų3357.8 Ų57.834%0.3428%0.282SS..THydrogen-bonded Turntrans68.819.5-178.800000114.3N16 D186 M187N16-G190 PolarHBondContact ND2-O 3.44Å; N16-G190 PolarHBondContact OD1-O 2.86Å; D186-G190 PolarHBondContact O-N 3.45Å; D186-G190 VanDerWaalsContact O-N 3.14Å; M187-G190 PolarHBondContact O-N 3.4Å
191K92.7Very high93.3Very high143 Ų14356.4 Ų56.462%0.62228%0.275SS*.  trans-99.5-4.4179.9-63.2-179.5-178.5178.40113.6N179 D186 S189 T193N179-K191 PolarHBondContact ND2-O 3.29Å; D186-K191 HydrophobicContact CB-CB 4.13Å; D186-K191 PolarHBondContact O-N 3.4Å; S189-K191 PolarHBondContact O-N 3.06Å; K191-T193 PolarHBondContact O-N 3.31Å
192L92.7Very high93.6Very high1 Ų147 Ų471%0.00524%0.241CC..  trans-67.7117.7176.3-170.863.8000109.1N16 L19 Y176 N179 P183 D186 M187 I195N16-L192 PolarHBondContact ND2-O 3.14Å; L19-L192 HydrophobicContact CD1-CB 4.3Å; L19-L192 HydrophobicContact CD1-CD2 3.99Å; L19-L192 HydrophobicContact CD1-CG 3.83Å; Y176-L192 HydrophobicContact CD1-CD1 4.01Å; N179-L192 HydrophobicContact CB-CD1 3.69Å; N179-L192 WeakPolarHBondContact OD1-CA 3.33Å; P183-L192 HydrophobicContact CB-CD1 4.48Å; D186-L192 HydrophobicContact CB-CB 4.37Å; D186-L192 PolarHBondContact O-N 2.85Å; M187-L192 HydrophobicContact CB-CB 4.48Å; M187-L192 HydrophobicContact CB-CD2 3.95Å; M187-L192 HydrophobicContact CG-CD2 4.14Å; L192-I195 HydrophobicContact CD2-CD1 3.74Å; L192-I195 HydrophobicContact CD2-CG1 3.77Å; L192-I195 HydrophobicContact CG-CG1 4.27Å
193T93.3Very high93.7Very high58 Ų5847.2 Ų47.236%0.35625%0.252SS..  trans-95.9-42.7-171.21.20000112.1H18 L19 Q20 D178 N179 K191H18-T193 VanDerWaalsContact O-O 3.04Å; L19-T193 WeakPolarHBondContact CA-O 3.33Å; Q20-T193 PolarHBondContact N-O 2.92Å; D178-T193 VanDerWaalsContact CB-OG1 3.24Å; D178-T193 WeakPolarHBondContact CB-OG1 3.4Å; N179-T193 PolarHBondContact OD1-N 3.08Å; N179-T193 PolarHBondContact OD1-OG1 3.08Å; K191-T193 PolarHBondContact O-N 3.31Å
194R94.7Very high93.6Very high38 Ų3848 Ų4814%0.14326%0.255CS..EExtended strand (participates in β ladder)trans-147.8138.2-178.8-171166.145.3162.4-6.2112.8Q20 P177 D178 V196Q20-R194 HydrophobicContact CB-CB 4.41Å; Q20-R194 HydrophobicContact CB-CG 4.16Å; Q20-R194 VanDerWaalsContact O-CA 3.32Å; Q20-R194 WeakPolarHBondContact O-CA 3.37Å; P177-R194 HydrophobicContact CG-CB 4.28Å; P177-R194 HydrophobicContact CG-CG 4.3Å; D178-R194 IonicContact OD1-NH2 3.44Å; D178-R194 WeakPolarHBondContact OD2-CB 3.42Å; D178-R194 IonicContact OD2-CZ 3.64Å; D178-R194 IonicContact OD2-NE 3.06Å; D178-R194 PolarHBondContact OD2-NE 3.19Å; D178-R194 IonicContact OD2-NH2 3.44Å; D178-R194 PolarHBondContact OD2-NH2 3.29Å; R194-V196 HydrophobicContact CG-CG2 4.14Å
195I95.5Very high93.5Very high0 Ų047 Ų470%026%0.258CS..EExtended strand (participates in β ladder)trans-117119.4172.5-58.4162.3000107L19 Q20 W21 E22 V49 Y176 L192 V197L19-I195 HydrophobicContact CD1-CD1 3.59Å; L19-I195 HydrophobicContact CD1-CG1 3.73Å; L19-I195 HydrophobicContact CD2-CD1 4.02Å; L19-I195 HydrophobicContact CG-CD1 4.27Å; Q20-I195 PolarHBondContact O-N 3.14Å; W21-I195 HydrophobicContact CD2-CB 4.48Å; W21-I195 HydrophobicContact CD2-CD1 4.15Å; W21-I195 HydrophobicContact CE3-CB 4.31Å; W21-I195 HydrophobicContact CE3-CD1 4.34Å; W21-I195 HydrophobicContact CE3-CG2 4.2Å; W21-I195 HydrophobicContact CH2-CD1 3.85Å; W21-I195 HydrophobicContact CZ2-CD1 3.61Å; W21-I195 HydrophobicContact CZ3-CD1 4.2Å; W21-I195 HydrophobicContact CZ3-CG2 4.14Å; E22-I195 PolarHBondContact N-O 3.46Å; V49-I195 HydrophobicContact CG1-CG2 3.74Å; V49-I195 HydrophobicContact CG2-CD1 3.88Å; V49-I195 HydrophobicContact CG2-CG1 4.45Å; V49-I195 HydrophobicContact CG2-CG2 4.17Å; Y176-I195 HydrophobicContact CD1-CG1 4.16Å; Y176-I195 HydrophobicContact CE1-CG1 4.06Å; Y176-I195 HydrophobicContact CE1-CG2 4.2Å; L192-I195 HydrophobicContact CD2-CD1 3.74Å; L192-I195 HydrophobicContact CD2-CG1 3.77Å; L192-I195 HydrophobicContact CG-CG1 4.27Å; I195-V197 HydrophobicContact CG2-CG2 3.71Å
196V96.2Very high93.3Very high3 Ų346.5 Ų46.52%0.01826%0.261CS..EExtended strand (participates in β ladder)trans-106.5122.9172.3-170.40000108.8E22 C175 P177 R194 L240E22-V196 HydrophobicContact CB-CB 4.45Å; E22-V196 HydrophobicContact CB-CG1 4.21Å; E22-V196 HydrophobicContact CB-CG2 4.13Å; E22-V196 HydrophobicContact CG-CG1 4.25Å; E22-V196 CarbonylContact O-C 3.56Å; E22-V196 VanDerWaalsContact O-CA 3.29Å; E22-V196 WeakPolarHBondContact O-CA 3.17Å; C175-V196 HydrophobicContact CB-CB 4.29Å; C175-V196 PolarHBondContact N-O 2.82Å; C175-V196 PolarHBondContact O-N 3.31Å; P177-V196 HydrophobicContact CG-CG2 3.83Å; R194-V196 HydrophobicContact CG-CG2 4.14Å; V196-L240 HydrophobicContact CG1-CD1 3.95Å; V196-L240 HydrophobicContact CG1-CD2 3.85Å; V196-L240 HydrophobicContact CG1-CG 4.46Å
197V97.3Very high93.1Very high0 Ų049.9 Ų49.90%028%0.276CS..EExtended strand (participates in β ladder)trans-124118.8177.5-169.70000109.2E22 V23 H24 V49 L53 V172 T173 L174 I195 V199E22-V197 PolarHBondContact O-N 3.46Å; V23-V197 WeakPolarHBondContact CA-O 3.44Å; V23-V197 HydrophobicContact CG1-CB 4.31Å; V23-V197 HydrophobicContact CG2-CB 4.4Å; H24-V197 PolarHBondContact N-O 3.45Å; V49-V197 HydrophobicContact CG1-CG2 3.98Å; L53-V197 HydrophobicContact CD2-CB 3.92Å; L53-V197 HydrophobicContact CD2-CG1 3.58Å; L53-V197 HydrophobicContact CD2-CG2 4Å; V172-V197 HydrophobicContact CG1-CG1 3.73Å; T173-V197 WeakPolarHBondContact O-CA 3.41Å; L174-V197 HydrophobicContact CD2-CB 4.1Å; L174-V197 HydrophobicContact CD2-CG1 3.74Å; L174-V197 HydrophobicContact CD2-CG2 3.5Å; L174-V197 VanDerWaalsContact CD2-CG2 3.5Å; I195-V197 HydrophobicContact CG2-CG2 3.71Å; V197-V199 HydrophobicContact CG1-CG2 3.98Å
198H97.3Very high93Very high62 Ų6249.6 Ų49.629%0.28728%0.275SS..EExtended strand (participates in β ladder)trans-108121.2170.6-172.3-72.3000109V172 T173 L236V172-H198 CarbonylContact C-O 3.56Å; V172-H198 WeakPolarHBondContact CA-O 3.3Å; T173-H198 PolarHBondContact N-O 3.22Å; T173-H198 PolarHBondContact O-N 2.8Å; H198-L236 HydrophobicContact CB-CD2 3.81Å
199V97.6Very high92.9Very high3 Ų347.6 Ų47.62%0.01826%0.263CS..EExtended strand (participates in β ladder)trans-108.5120179.2-176.60000107.8H24 G25 L26 F54 L170 V172 V197H24-V199 WeakPolarHBondContact O-CB 3.49Å; H24-V199 PolarHBondContact O-N 3.48Å; G25-V199 WeakPolarHBondContact CA-O 3.34Å; G25-V199 WeakPolarHBondContact O-CB 3.4Å; G25-V199 WeakPolarHBondContact O-CG1 3.37Å; L26-V199 HydrophobicContact CD2-CG2 4.29Å; F54-V199 HydrophobicContact CE1-CG1 4.37Å; F54-V199 HydrophobicContact CE1-CG2 4.19Å; F54-V199 HydrophobicContact CZ-CG1 4.13Å; F54-V199 HydrophobicContact CZ-CG2 3.62Å; L170-V199 HydrophobicContact CD2-CG1 4.06Å; V172-V199 HydrophobicContact CG2-CG1 4.3Å; V172-V199 HydrophobicContact CG2-CG2 4.34Å; V197-V199 HydrophobicContact CG1-CG2 3.98Å
200D96.5Very high92.7Very high56 Ų5645.7 Ų45.730%0.29925%0.254SS..EExtended strand (participates in β ladder)trans-110.5120.2172.3177.726.8000109.3N171 Q202N171-D200 HydrophobicContact CB-CB 4.18Å; N171-D200 PolarHBondContact N-O 2.94Å; N171-D200 PolarHBondContact O-N 3.2Å; D200-Q202 VanDerWaalsContact OD2-CD 3.23Å; D200-Q202 WeakPolarHBondContact OD2-CG 3.46Å; D200-Q202 PolarHBondContact OD2-NE2 3.39Å
201L95.9Very high92.5Very high45 Ų4547.1 Ų47.124%0.23625%0.254CS..EExtended strand (participates in β ladder)trans-98.5104.3-175.6-178.367.6000109.5L29 Y35 K168 L170L29-L201 HydrophobicContact CD2-CD1 4.04Å; L29-L201 HydrophobicContact CD2-CD2 4.33Å; Y35-L201 HydrophobicContact CD1-CD1 4.26Å; Y35-L201 HydrophobicContact CE1-CD1 3.89Å; K168-L201 HydrophobicContact CB-CD1 3.64Å; K168-L201 HydrophobicContact CB-CG 4.44Å; K168-L201 HydrophobicContact CD-CD1 3.54Å; K168-L201 HydrophobicContact CD-CD2 3.65Å; K168-L201 HydrophobicContact CD-CG 3.65Å; K168-L201 HydrophobicContact CG-CD1 4.2Å; L170-L201 HydrophobicContact CD2-CD1 3.33Å; L170-L201 HydrophobicContact CG-CD1 4.28Å
202Q93.7Very high92.1Very high36 Ų3642 Ų4217%0.16823%0.231CC..EExtended strand (participates in β ladder)trans-111.4144.1-172.5-59.9-174.6-40.600111.6L169 D200L169-Q202 HydrophobicContact CB-CB 4.28Å; L169-Q202 HydrophobicContact CD2-CB 4.5Å; L169-Q202 PolarHBondContact N-O 2.85Å; L169-Q202 PolarHBondContact O-N 3.2Å; D200-Q202 VanDerWaalsContact OD2-CD 3.23Å; D200-Q202 WeakPolarHBondContact OD2-CG 3.46Å; D200-Q202 PolarHBondContact OD2-NE2 3.39Å
203P92.2Very high91.4Very high110 Ų11047.3 Ų47.371%0.71426%0.258SS*.  trans-66147.8165.829.9-33.4000109.9A205P203-A205 PolarHBondContact O-N 3.14Å
204I91.1Very high90.9Very high24 Ų2450.5 Ų50.512%0.12327%0.273CS..  trans-86.4109.6171-66167000106.8L159 F166 L169 L208L159-I204 HydrophobicContact CD2-CD1 4.1Å; L159-I204 HydrophobicContact CD2-CG2 3.82Å; F166-I204 HydrophobicContact CB-CD1 3.23Å; F166-I204 HydrophobicContact CD2-CD1 4.37Å; F166-I204 HydrophobicContact CG-CD1 4.04Å; L169-I204 HydrophobicContact CB-CD1 4.49Å; L169-I204 HydrophobicContact CB-CG1 3.86Å; I204-L208 HydrophobicContact CG2-CB 4.4Å; I204-L208 HydrophobicContact CG2-CD1 4.23Å
205A88.7Confident90.6Very high39 Ų3951.7 Ų51.732%0.32228%0.282SS..  trans-68.9144.9-179.900000111P203 E207 L208P203-A205 PolarHBondContact O-N 3.14Å; A205-E207 HydrophobicContact CB-CG 3.68Å; A205-E207 PolarHBondContact O-N 3.04Å; A205-E207 VanDerWaalsContact O-N 3.13Å; A205-L208 HydrophobicContact CB-CG 4.43Å; A205-L208 WeakPolarHBondContact O-CB 3.38Å; A205-L208 PolarHBondContact O-N 2.84Å
206D87.4Confident90.4Very high123 Ų12360.4 Ų60.466%0.65832%0.32SS*.G310 helixtrans-58.8-29.3-178.2-79.4-42.4000112.8L208 H209D206-L208 PolarHBondContact O-N 3.41Å; D206-L208 VanDerWaalsContact O-N 3.12Å; D206-H209 WeakPolarHBondContact O-CB 3.22Å; D206-H209 PolarHBondContact O-N 2.96Å
207E89.2Confident90.2Very high99 Ų9964.5 Ų64.546%0.46335%0.349SS..G310 helixtrans-63.5-11.5175.159.2170.5-157.300114.6A205 H209 F218 H221A205-E207 HydrophobicContact CB-CG 3.68Å; A205-E207 PolarHBondContact O-N 3.04Å; A205-E207 VanDerWaalsContact O-N 3.13Å; E207-H209 VanDerWaalsContact C-N 3.3Å; E207-F218 WeakPolarHBondContact O-CE2 3.27Å; E207-H221 IonicContact OE1-NE2 3.3Å; E207-H221 IonicContact OE2-CD2 2.95Å; E207-H221 IonicContact OE2-CE1 4Å; E207-H221 PolarHBondContact OE2-CE1 3.26Å; E207-H221 IonicContact OE2-NE2 3.78Å; E207-H221 PolarHBondContact OE2-NE2 3.49Å
208L90.5Very high90Very high5 Ų565.6 Ų65.63%0.02635%0.353CS..G310 helixtrans-87.9-2.1175-56.4179.6000112.5L159 I204 A205 D206 F218 F222 W225L159-L208 HydrophobicContact CD1-CB 4.25Å; I204-L208 HydrophobicContact CG2-CB 4.4Å; I204-L208 HydrophobicContact CG2-CD1 4.23Å; A205-L208 HydrophobicContact CB-CG 4.43Å; A205-L208 WeakPolarHBondContact O-CB 3.38Å; A205-L208 PolarHBondContact O-N 2.84Å; D206-L208 PolarHBondContact O-N 3.41Å; D206-L208 VanDerWaalsContact O-N 3.12Å; L208-F218 WeakPolarHBondContact O-CZ 3.21Å; L208-F222 HydrophobicContact CB-CE2 4.42Å; L208-F222 HydrophobicContact CD2-CD2 4.18Å; L208-F222 HydrophobicContact CD2-CE2 4.29Å; L208-W225 HydrophobicContact CD1-CD2 4.29Å; L208-W225 HydrophobicContact CD1-CH2 3.92Å; L208-W225 HydrophobicContact CD1-CZ2 3.47Å; L208-W225 VanDerWaalsContact CD1-CZ2 3.47Å; L208-W225 HydrophobicContact CD1-CZ3 4.48Å; L208-W225 HydrophobicContact CD2-CB 4.42Å; L208-W225 HydrophobicContact CD2-CD2 3.44Å; L208-W225 VanDerWaalsContact CD2-CD2 3.44Å; L208-W225 HydrophobicContact CD2-CE3 3.7Å; L208-W225 HydrophobicContact CD2-CG 3.76Å; L208-W225 HydrophobicContact CD2-CH2 4.41Å; L208-W225 HydrophobicContact CD2-CZ2 4.19Å; L208-W225 HydrophobicContact CD2-CZ3 4.18Å; L208-W225 HydrophobicContact CG-CZ2 4.49Å
209H88Confident89.7Confident55 Ų5566.6 Ų66.626%0.25536%0.357SS..  trans-97.7117.7173.3-59-58.1000110.5G163 D206 E207 F218G163-H209 VanDerWaalsContact C-CE1 3.41Å; G163-H209 VanDerWaalsContact CA-CE1 3.49Å; G163-H209 WeakPolarHBondContact CA-CE1 3.32Å; D206-H209 WeakPolarHBondContact O-CB 3.22Å; D206-H209 PolarHBondContact O-N 2.96Å; E207-H209 VanDerWaalsContact C-N 3.3Å; H209-F218 VanDerWaalsContact C-CE2 3.45Å
210G86Confident89.6Confident27 Ų2774.5 Ų74.528%0.27839%0.386SS..SBendtrans170178.6179.700000113.7Y212 F218G210-Y212 PolarHBondContact O-N 2.9Å; G210-Y212 VanDerWaalsContact O-N 3.17Å; G210-F218 VanDerWaalsContact CA-CE2 3.46Å; G210-F218 VanDerWaalsContact N-CZ 3.3Å; G210-F218 WeakPolarHBondContact O-CE1 3.44Å
211D85.2Confident89.5Confident63 Ų6375 Ų7534%0.33739%0.387SS..  trans-84.889-175.5-171.1-15.4000112I213 N214 D215D211-I213 PolarHBondContact O-N 2.92Å; D211-I213 VanDerWaalsContact O-N 3.14Å; D211-I213 WeakPolarHBondContact OD1-CA 3.15Å; D211-I213 WeakPolarHBondContact OD1-CB 3.26Å; D211-I213 PolarHBondContact OD1-N 3.49Å; D211-N214 PolarHBondContact OD1-N 2.94Å; D211-N214 VanDerWaalsContact OD2-CB 3.29Å; D211-N214 WeakPolarHBondContact OD2-CB 3.42Å; D211-N214 PolarHBondContact OD2-ND2 3.23Å; D211-D215 HydrophobicContact CB-CB 4.21Å; D211-D215 WeakPolarHBondContact O-CA 3.36Å; D211-D215 VanDerWaalsContact O-CB 3.24Å; D211-D215 WeakPolarHBondContact O-CB 3.24Å; D211-D215 PolarHBondContact O-N 3.42Å
212Y84.6Confident89.4Confident35 Ų3572.9 Ų72.914%0.13738%0.376CS..THydrogen-bonded Turntrans-61.2-20.4175.8-171.6-97000114.7A152 A156 G210 F218 K219 F222 Q223A152-Y212 HydrophobicContact CB-CE1 4.49Å; A152-Y212 HydrophobicContact CB-CE2 3.85Å; A152-Y212 WeakPolarHBondContact CB-OH 3.5Å; A156-Y212 HydrophobicContact CB-CD1 3.9Å; A156-Y212 HydrophobicContact CB-CD2 3.8Å; A156-Y212 HydrophobicContact CB-CE2 4.47Å; A156-Y212 HydrophobicContact CB-CG 3.49Å; A156-Y212 VanDerWaalsContact CB-CG 3.49Å; G210-Y212 PolarHBondContact O-N 2.9Å; G210-Y212 VanDerWaalsContact O-N 3.17Å; Y212-F218 HydrophobicContact CD2-CE1 4.41Å; Y212-K219 HydrophobicContact CD2-CB 4.27Å; Y212-K219 HydrophobicContact CD2-CG 4.15Å; Y212-K219 HydrophobicContact CE2-CB 4.27Å; Y212-K219 HydrophobicContact CE2-CG 3.69Å; Y212-F222 HydrophobicContact CD2-CB 4.07Å; Y212-F222 AromaticContact CD2-CD1 3.91Å; Y212-F222 HydrophobicContact CD2-CD1 3.91Å; Y212-F222 HydrophobicContact CD2-CG 4Å; Y212-F222 HydrophobicContact CE2-CB 4.21Å; Y212-F222 AromaticContact CE2-CD1 3.77Å; Y212-F222 HydrophobicContact CE2-CD1 3.77Å; Y212-F222 HydrophobicContact CE2-CG 4.21Å; Y212-Q223 HydrophobicContact CE2-CG 4.25Å; Y212-Q223 PolarHBondContact OH-NE2 3.41Å; Y212-Q223 VanDerWaalsContact OH-NE2 3.08Å
213I79Confident89.4Confident113 Ų11375 Ų7558%0.57939%0.386SS*.THydrogen-bonded Turntrans-88.2-49.8-173.8-60.6179.4000110.5V106 D211V106-I213 HydrophobicContact CG2-CD1 4.06Å; D211-I213 PolarHBondContact O-N 2.92Å; D211-I213 VanDerWaalsContact O-N 3.14Å; D211-I213 WeakPolarHBondContact OD1-CA 3.15Å; D211-I213 WeakPolarHBondContact OD1-CB 3.26Å; D211-I213 PolarHBondContact OD1-N 3.49Å
214N81.8Confident89.6Confident124 Ų12474.2 Ų74.266%0.66337%0.373SS*.THydrogen-bonded Turntrans-103-24.5-172-51.5-60.7000113.5D211D211-N214 PolarHBondContact OD1-N 2.94Å; D211-N214 VanDerWaalsContact OD2-CB 3.29Å; D211-N214 WeakPolarHBondContact OD2-CB 3.42Å; D211-N214 PolarHBondContact OD2-ND2 3.23Å
215D88.6Confident89.8Confident64 Ų6475.1 Ų75.134%0.34237%0.374SS..  trans-91.2108.7178.3-176-19000111D211 S217 F218 K219D211-D215 HydrophobicContact CB-CB 4.21Å; D211-D215 WeakPolarHBondContact O-CA 3.36Å; D211-D215 VanDerWaalsContact O-CB 3.24Å; D211-D215 WeakPolarHBondContact O-CB 3.24Å; D211-D215 PolarHBondContact O-N 3.42Å; D215-S217 WeakPolarHBondContact OD1-CA 3.36Å; D215-S217 WeakPolarHBondContact OD1-CB 3.42Å; D215-S217 PolarHBondContact OD1-N 2.71Å; D215-S217 PolarHBondContact OD1-OG 2.86Å; D215-F218 HydrophobicContact CB-CB 3.85Å; D215-F218 VanDerWaalsContact CG-CB 3.48Å; D215-F218 PolarHBondContact OD1-N 2.88Å; D215-K219 VanDerWaalsContact O-CB 3.22Å; D215-K219 WeakPolarHBondContact O-CB 3.26Å; D215-K219 PolarHBondContact O-N 3.14Å
216K90.9Very high90.2Very high182 Ų18273.3 Ų73.379%0.79136%0.359SS*.Hα-helixtrans-68.7-36.1179.8-68.1-179.5-176.8172.10112.9R220K216-R220 WeakPolarHBondContact O-CB 3.19Å; K216-R220 PolarHBondContact O-N 3.14Å
217S93.3Very high90.6Very high89 Ų8971 Ų7162%0.62235%0.347SS*.Hα-helixtrans-65.5-52.2177.515.80000110.1D215 K219 R220 H221D215-S217 WeakPolarHBondContact OD1-CA 3.36Å; D215-S217 WeakPolarHBondContact OD1-CB 3.42Å; D215-S217 PolarHBondContact OD1-N 2.71Å; D215-S217 PolarHBondContact OD1-OG 2.86Å; S217-K219 VanDerWaalsContact C-N 3.33Å; S217-K219 PolarHBondContact O-N 3.17Å; S217-R220 PolarHBondContact O-N 3.19Å; S217-R220 VanDerWaalsContact O-N 3.16Å; S217-H221 PolarHBondContact O-N 3.24Å
218F92.6Very high90.9Very high23 Ų2369.5 Ų69.510%0.10135%0.348CS..Hα-helixtrans-58.3-46.4176.9178-94.3000111.2E207 L208 H209 G210 Y212 D215 R220 H221 F222E207-F218 WeakPolarHBondContact O-CE2 3.27Å; L208-F218 WeakPolarHBondContact O-CZ 3.21Å; H209-F218 VanDerWaalsContact C-CE2 3.45Å; G210-F218 VanDerWaalsContact CA-CE2 3.46Å; G210-F218 VanDerWaalsContact N-CZ 3.3Å; G210-F218 WeakPolarHBondContact O-CE1 3.44Å; Y212-F218 HydrophobicContact CD2-CE1 4.41Å; D215-F218 HydrophobicContact CB-CB 3.85Å; D215-F218 VanDerWaalsContact CG-CB 3.48Å; D215-F218 PolarHBondContact OD1-N 2.88Å; F218-R220 VanDerWaalsContact C-N 3.3Å; F218-R220 PolarHBondContact O-N 2.92Å; F218-H221 PolarHBondContact O-N 3.19Å; F218-F222 HydrophobicContact CE1-CB 4.32Å; F218-F222 HydrophobicContact CE1-CD2 4.09Å; F218-F222 HydrophobicContact CE1-CG 4.46Å; F218-F222 AromaticContact CZ-CD2 3.88Å; F218-F222 HydrophobicContact CZ-CD2 3.88Å; F218-F222 VanDerWaalsContact O-CB 3.3Å; F218-F222 WeakPolarHBondContact O-CB 3.27Å; F218-F222 PolarHBondContact O-N 3.15Å
219K91.6Very high91.2Very high83 Ų8369.8 Ų69.836%0.36135%0.349SS..Hα-helixtrans-55.9-43.7176.6177.5175.4-178.3178.10112.7Y212 D215 S217 Q223Y212-K219 HydrophobicContact CD2-CB 4.27Å; Y212-K219 HydrophobicContact CD2-CG 4.15Å; Y212-K219 HydrophobicContact CE2-CB 4.27Å; Y212-K219 HydrophobicContact CE2-CG 3.69Å; D215-K219 VanDerWaalsContact O-CB 3.22Å; D215-K219 WeakPolarHBondContact O-CB 3.26Å; D215-K219 PolarHBondContact O-N 3.14Å; S217-K219 VanDerWaalsContact C-N 3.33Å; S217-K219 PolarHBondContact O-N 3.17Å; K219-Q223 WeakPolarHBondContact O-CB 3.42Å; K219-Q223 VanDerWaalsContact O-CG 3.24Å; K219-Q223 WeakPolarHBondContact O-CG 3.11Å; K219-Q223 PolarHBondContact O-N 3.04Å
220R93.9Very high91.6Very high169 Ų16967.1 Ų67.164%0.63834%0.337SS*.Hα-helixtrans-65-46.8178.7-178.4179.9177.6176.80.9110.9K216 S217 F218 Q223 Q224K216-R220 WeakPolarHBondContact O-CB 3.19Å; K216-R220 PolarHBondContact O-N 3.14Å; S217-R220 PolarHBondContact O-N 3.19Å; S217-R220 VanDerWaalsContact O-N 3.16Å; F218-R220 VanDerWaalsContact C-N 3.3Å; F218-R220 PolarHBondContact O-N 2.92Å; R220-Q223 PolarHBondContact O-N 3.02Å; R220-Q224 WeakPolarHBondContact O-CG 3.19Å; R220-Q224 PolarHBondContact O-N 3.46Å
221H94.8Very high92.2Very high67 Ų6769.2 Ų69.231%0.3134%0.339SS..Hα-helixtrans-57.9-50.4177.3-172.863.4000111.5E207 S217 F218 Q223 Q224 W225E207-H221 IonicContact OE1-NE2 3.3Å; E207-H221 IonicContact OE2-CD2 2.95Å; E207-H221 IonicContact OE2-CE1 4Å; E207-H221 PolarHBondContact OE2-CE1 3.26Å; E207-H221 IonicContact OE2-NE2 3.78Å; E207-H221 PolarHBondContact OE2-NE2 3.49Å; S217-H221 PolarHBondContact O-N 3.24Å; F218-H221 PolarHBondContact O-N 3.19Å; H221-Q223 VanDerWaalsContact C-N 3.31Å; H221-Q223 PolarHBondContact O-N 3.33Å; H221-Q224 WeakPolarHBondContact O-CB 3.38Å; H221-Q224 PolarHBondContact O-N 2.92Å; H221-Q224 VanDerWaalsContact O-N 3.09Å; H221-W225 PolarHBondContact O-N 2.91Å
222F94.5Very high92.8Very high1 Ų170.5 Ų70.50%0.00434%0.343CS..Hα-helixtrans-59.1-40.4178.2-167-81.8000112.5A152 I155 A156 L159 L208 Y212 F218 W225 L226A152-F222 HydrophobicContact CB-CD1 3.87Å; A152-F222 HydrophobicContact CB-CE1 3.8Å; I155-F222 HydrophobicContact CD1-CE1 3.7Å; I155-F222 HydrophobicContact CD1-CZ 3.8Å; I155-F222 HydrophobicContact CG1-CE1 3.73Å; I155-F222 HydrophobicContact CG1-CZ 3.77Å; A156-F222 HydrophobicContact CB-CD1 4.43Å; A156-F222 HydrophobicContact CB-CE1 3.91Å; A156-F222 HydrophobicContact CB-CE2 4.35Å; A156-F222 HydrophobicContact CB-CZ 3.87Å; L159-F222 HydrophobicContact CD1-CE2 3.68Å; L159-F222 HydrophobicContact CD1-CZ 3.86Å; L208-F222 HydrophobicContact CB-CE2 4.42Å; L208-F222 HydrophobicContact CD2-CD2 4.18Å; L208-F222 HydrophobicContact CD2-CE2 4.29Å; Y212-F222 HydrophobicContact CD2-CB 4.07Å; Y212-F222 AromaticContact CD2-CD1 3.91Å; Y212-F222 HydrophobicContact CD2-CD1 3.91Å; Y212-F222 HydrophobicContact CD2-CG 4Å; Y212-F222 HydrophobicContact CE2-CB 4.21Å; Y212-F222 AromaticContact CE2-CD1 3.77Å; Y212-F222 HydrophobicContact CE2-CD1 3.77Å; Y212-F222 HydrophobicContact CE2-CG 4.21Å; F218-F222 HydrophobicContact CE1-CB 4.32Å; F218-F222 HydrophobicContact CE1-CD2 4.09Å; F218-F222 HydrophobicContact CE1-CG 4.46Å; F218-F222 AromaticContact CZ-CD2 3.88Å; F218-F222 HydrophobicContact CZ-CD2 3.88Å; F218-F222 VanDerWaalsContact O-CB 3.3Å; F218-F222 WeakPolarHBondContact O-CB 3.27Å; F218-F222 PolarHBondContact O-N 3.15Å; F222-W225 HydrophobicContact CD1-CE3 4.48Å; F222-W225 HydrophobicContact CD2-CE3 4.48Å; F222-W225 HydrophobicContact CE1-CE3 4.32Å; F222-W225 HydrophobicContact CE1-CZ3 4.03Å; F222-W225 HydrophobicContact CE2-CE3 4.32Å; F222-W225 HydrophobicContact CE2-CZ3 4.05Å; F222-W225 HydrophobicContact CZ-CE3 4.23Å; F222-W225 AromaticContact CZ-CZ3 3.7Å; F222-W225 HydrophobicContact CZ-CZ3 3.7Å; F222-L226 WeakPolarHBondContact O-CB 3.44Å; F222-L226 PolarHBondContact O-N 2.95Å
223Q94.2Very high93.4Very high80 Ų8069 Ų6937%0.37434%0.337SS..Hα-helixtrans-67.7-38.7175.8-75.8-178.7-20.100112.5Y212 K219 R220 H221 N227Y212-Q223 HydrophobicContact CE2-CG 4.25Å; Y212-Q223 PolarHBondContact OH-NE2 3.41Å; Y212-Q223 VanDerWaalsContact OH-NE2 3.08Å; K219-Q223 WeakPolarHBondContact O-CB 3.42Å; K219-Q223 VanDerWaalsContact O-CG 3.24Å; K219-Q223 WeakPolarHBondContact O-CG 3.11Å; K219-Q223 PolarHBondContact O-N 3.04Å; R220-Q223 PolarHBondContact O-N 3.02Å; H221-Q223 VanDerWaalsContact C-N 3.31Å; H221-Q223 PolarHBondContact O-N 3.33Å; Q223-N227 VanDerWaalsContact O-CB 3.31Å; Q223-N227 WeakPolarHBondContact O-CB 3.49Å; Q223-N227 PolarHBondContact O-N 3.13Å; Q223-N227 PolarHBondContact O-ND2 3.03Å
224Q95.5Very high94.3Very high94 Ų9464 Ų6444%0.43931%0.312SS..Hα-helixtrans-64.2-49.3176-74.1171.5-30.600111R220 H221 L226 N227 S228R220-Q224 WeakPolarHBondContact O-CG 3.19Å; R220-Q224 PolarHBondContact O-N 3.46Å; H221-Q224 WeakPolarHBondContact O-CB 3.38Å; H221-Q224 PolarHBondContact O-N 2.92Å; H221-Q224 VanDerWaalsContact O-N 3.09Å; Q224-L226 VanDerWaalsContact C-N 3.35Å; Q224-L226 PolarHBondContact O-N 3.28Å; Q224-N227 PolarHBondContact O-N 3.23Å; Q224-S228 PolarHBondContact O-N 3.35Å; Q224-S228 PolarHBondContact O-OG 3.06Å
225W95.6Very high95Very high42 Ų4264.7 Ų64.716%0.15931%0.305CS..Hα-helixtrans-52.8-51.3173.7165.279.9000111.8I155 L169 L208 H221 F222 N227 S228 L229I155-W225 HydrophobicContact CD1-CH2 4.39Å; I155-W225 HydrophobicContact CD1-CZ3 3.85Å; L169-W225 HydrophobicContact CD2-CH2 4.06Å; L169-W225 HydrophobicContact CD2-CZ2 3.64Å; L208-W225 HydrophobicContact CD1-CD2 4.29Å; L208-W225 HydrophobicContact CD1-CH2 3.92Å; L208-W225 HydrophobicContact CD1-CZ2 3.47Å; L208-W225 VanDerWaalsContact CD1-CZ2 3.47Å; L208-W225 HydrophobicContact CD1-CZ3 4.48Å; L208-W225 HydrophobicContact CD2-CB 4.42Å; L208-W225 HydrophobicContact CD2-CD2 3.44Å; L208-W225 VanDerWaalsContact CD2-CD2 3.44Å; L208-W225 HydrophobicContact CD2-CE3 3.7Å; L208-W225 HydrophobicContact CD2-CG 3.76Å; L208-W225 HydrophobicContact CD2-CH2 4.41Å; L208-W225 HydrophobicContact CD2-CZ2 4.19Å; L208-W225 HydrophobicContact CD2-CZ3 4.18Å; L208-W225 HydrophobicContact CG-CZ2 4.49Å; H221-W225 PolarHBondContact O-N 2.91Å; F222-W225 HydrophobicContact CD1-CE3 4.48Å; F222-W225 HydrophobicContact CD2-CE3 4.48Å; F222-W225 HydrophobicContact CE1-CE3 4.32Å; F222-W225 HydrophobicContact CE1-CZ3 4.03Å; F222-W225 HydrophobicContact CE2-CE3 4.32Å; F222-W225 HydrophobicContact CE2-CZ3 4.05Å; F222-W225 HydrophobicContact CZ-CE3 4.23Å; F222-W225 AromaticContact CZ-CZ3 3.7Å; F222-W225 HydrophobicContact CZ-CZ3 3.7Å; W225-N227 VanDerWaalsContact C-N 3.34Å; W225-N227 PolarHBondContact O-N 2.72Å; W225-S228 WeakPolarHBondContact O-CB 2.98Å; W225-S228 PolarHBondContact O-N 3.12Å; W225-L229 HydrophobicContact CD2-CD1 4.15Å; W225-L229 HydrophobicContact CH2-CD1 3.94Å; W225-L229 HydrophobicContact CZ2-CD1 3.28Å; W225-L229 PolarHBondContact O-N 3.12Å; W225-L229 VanDerWaalsContact O-N 3.12Å
226L96Very high95.4Very high2 Ų263.7 Ų63.71%0.0130%0.299CS..Hα-helixtrans-63.5-40.7-178.8-176.559.3000112.1V127 P150 A152 I155 F222 Q224 S228 L229 W230V127-L226 HydrophobicContact CG1-CD1 4.22Å; V127-L226 HydrophobicContact CG1-CD2 3.97Å; P150-L226 HydrophobicContact CB-CD2 3.74Å; P150-L226 HydrophobicContact CB-CG 3.89Å; P150-L226 HydrophobicContact CG-CD2 4.2Å; P150-L226 HydrophobicContact CG-CG 4.1Å; A152-L226 HydrophobicContact CB-CD2 3.67Å; I155-L226 HydrophobicContact CD1-CD1 3.54Å; I155-L226 HydrophobicContact CD1-CD2 3.67Å; I155-L226 HydrophobicContact CD1-CG 4.15Å; F222-L226 WeakPolarHBondContact O-CB 3.44Å; F222-L226 PolarHBondContact O-N 2.95Å; Q224-L226 VanDerWaalsContact C-N 3.35Å; Q224-L226 PolarHBondContact O-N 3.28Å; L226-S228 VanDerWaalsContact C-N 3.33Å; L226-L229 PolarHBondContact O-N 3.17Å; L226-W230 HydrophobicContact CD1-CE3 4.48Å; L226-W230 WeakPolarHBondContact O-CB 3.35Å; L226-W230 PolarHBondContact O-N 3.16Å
227N96.3Very high95.7Very high74 Ų7455 Ų5540%0.39626%0.262SS..Hα-helixtrans-65.1-36.9177.5-76.3-25.3000112P150 Q223 Q224 W225 W230 Q231P150-N227 WeakPolarHBondContact CG-OD1 3.17Å; Q223-N227 VanDerWaalsContact O-CB 3.31Å; Q223-N227 WeakPolarHBondContact O-CB 3.49Å; Q223-N227 PolarHBondContact O-N 3.13Å; Q223-N227 PolarHBondContact O-ND2 3.03Å; Q224-N227 PolarHBondContact O-N 3.23Å; W225-N227 VanDerWaalsContact C-N 3.34Å; W225-N227 PolarHBondContact O-N 2.72Å; N227-W230 PolarHBondContact O-N 3.43Å; N227-Q231 WeakPolarHBondContact O-CB 3.24Å; N227-Q231 PolarHBondContact O-N 2.87Å
228S96.4Very high95.7Very high68 Ų6853 Ų5348%0.47625%0.246SC..Hα-helixtrans-62.2-49174.9-63.40000111.5Q224 W225 L226 W230 Q231 E232Q224-S228 PolarHBondContact O-N 3.35Å; Q224-S228 PolarHBondContact O-OG 3.06Å; W225-S228 WeakPolarHBondContact O-CB 2.98Å; W225-S228 PolarHBondContact O-N 3.12Å; L226-S228 VanDerWaalsContact C-N 3.33Å; S228-W230 PolarHBondContact O-N 2.94Å; S228-Q231 PolarHBondContact O-N 3.13Å; S228-Q231 VanDerWaalsContact O-N 3.16Å; S228-E232 PolarHBondContact O-N 2.59Å
229L96.3Very high95.7Very high10 Ų1054.3 Ų54.35%0.05226%0.258CS..Hα-helixtrans-58.7-38.9173.8-71.7178.7000112I38 L169 W225 L226 K233I38-L229 HydrophobicContact CD1-CD1 4.23Å; L169-L229 HydrophobicContact CD2-CD1 4.3Å; W225-L229 HydrophobicContact CD2-CD1 4.15Å; W225-L229 HydrophobicContact CH2-CD1 3.94Å; W225-L229 HydrophobicContact CZ2-CD1 3.28Å; W225-L229 PolarHBondContact O-N 3.12Å; W225-L229 VanDerWaalsContact O-N 3.12Å; L226-L229 PolarHBondContact O-N 3.17Å; L229-K233 WeakPolarHBondContact O-CB 3.49Å; L229-K233 PolarHBondContact O-N 2.88Å
230W97.2Very high95.7Very high0 Ų051.5 Ų51.50%025%0.247CC..Hα-helixtrans-68.1-37.8178.6-135.7-114.1000112.2N40 V127 E128 F144 L147 L148 P150 L226 N227 S228 K233 D234N40-W230 HydrophobicContact CB-CZ2 4.44Å; V127-W230 HydrophobicContact CB-CH2 3.56Å; V127-W230 HydrophobicContact CB-CZ2 4.2Å; V127-W230 HydrophobicContact CB-CZ3 3.73Å; V127-W230 HydrophobicContact CG1-CH2 4.35Å; V127-W230 HydrophobicContact CG1-CZ3 4.21Å; V127-W230 HydrophobicContact CG2-CH2 3.94Å; V127-W230 HydrophobicContact CG2-CZ3 3.8Å; E128-W230 HydrophobicContact CG-CZ2 3.59Å; F144-W230 AromaticContact CD2-CD1 3.85Å; F144-W230 HydrophobicContact CE1-CB 3.88Å; F144-W230 HydrophobicContact CE1-CG 4.42Å; F144-W230 AromaticContact CE2-CD1 3.75Å; F144-W230 HydrophobicContact CZ-CB 3.87Å; F144-W230 AromaticContact CZ-CD1 3.87Å; F144-W230 HydrophobicContact CZ-CG 4.27Å; L147-W230 HydrophobicContact CD1-CD2 4.23Å; L147-W230 HydrophobicContact CD1-CG 4.06Å; L147-W230 HydrophobicContact CD1-CZ2 4.39Å; L147-W230 WeakPolarHBondContact CD1-O 3.34Å; L147-W230 HydrophobicContact CD2-CZ2 4.37Å; L148-W230 PolarHBondContact O-NE1 3.02Å; P150-W230 HydrophobicContact CB-CD2 3.86Å; P150-W230 HydrophobicContact CB-CE3 4.29Å; P150-W230 HydrophobicContact CB-CG 4.01Å; P150-W230 HydrophobicContact CG-CB 4.16Å; P150-W230 HydrophobicContact CG-CD2 4.27Å; P150-W230 HydrophobicContact CG-CG 3.86Å; L226-W230 HydrophobicContact CD1-CE3 4.48Å; L226-W230 WeakPolarHBondContact O-CB 3.35Å; L226-W230 PolarHBondContact O-N 3.16Å; N227-W230 PolarHBondContact O-N 3.43Å; S228-W230 PolarHBondContact O-N 2.94Å; W230-K233 HydrophobicContact CE3-CD 4.46Å; W230-K233 HydrophobicContact CH2-CD 4.18Å; W230-K233 HydrophobicContact CZ3-CD 4.19Å; W230-K233 PolarHBondContact O-N 3.28Å; W230-D234 WeakPolarHBondContact O-CB 3.44Å; W230-D234 PolarHBondContact O-N 2.97Å
231Q97.8Very high95.4Very high70 Ų7045.4 Ų45.433%0.32723%0.226SC..Hα-helixtrans-67.6-40.1177.2-171.563.949.800111.7F144 N227 S228 D234 R235F144-Q231 HydrophobicContact CE1-CB 4.17Å; N227-Q231 WeakPolarHBondContact O-CB 3.24Å; N227-Q231 PolarHBondContact O-N 2.87Å; S228-Q231 PolarHBondContact O-N 3.13Å; S228-Q231 VanDerWaalsContact O-N 3.16Å; Q231-D234 PolarHBondContact O-N 2.9Å; Q231-R235 WeakPolarHBondContact O-CG 3.45Å; Q231-R235 PolarHBondContact O-N 3.21Å
232E97.6Very high94.7Very high91 Ų9144.8 Ų44.843%0.42523%0.229SC..Hα-helixtrans-60.5-46.6172.4-76.1169.1-173.100111.4S228 D234 R235 L236S228-E232 PolarHBondContact O-N 2.59Å; E232-D234 VanDerWaalsContact C-N 3.31Å; E232-D234 PolarHBondContact O-N 3.34Å; E232-R235 PolarHBondContact O-N 3.01Å; E232-L236 PolarHBondContact O-N 3.47Å
233K97.9Very high93.5Very high3 Ų347.5 Ų47.51%0.01325%0.248CC..Hα-helixtrans-60.2-40.6175.4-174.7175.9-56.6-67.20112.4N40 L147 N171 V172 T173 L229 W230 L236 L237N40-K233 HydrophobicContact CB-CD 4.01Å; L147-K233 HydrophobicContact CD1-CB 4.1Å; L147-K233 HydrophobicContact CD1-CD 4.14Å; L147-K233 HydrophobicContact CD1-CG 3.96Å; N171-K233 WeakPolarHBondContact OD1-CE 3.33Å; N171-K233 PolarHBondContact OD1-NZ 3.46Å; V172-K233 PolarHBondContact O-NZ 2.86Å; T173-K233 HydrophobicContact CG2-CG 3.86Å; T173-K233 WeakPolarHBondContact OG1-CG 3.47Å; T173-K233 PolarHBondContact OG1-NZ 3Å; L229-K233 WeakPolarHBondContact O-CB 3.49Å; L229-K233 PolarHBondContact O-N 2.88Å; W230-K233 HydrophobicContact CE3-CD 4.46Å; W230-K233 HydrophobicContact CH2-CD 4.18Å; W230-K233 HydrophobicContact CZ3-CD 4.19Å; W230-K233 PolarHBondContact O-N 3.28Å; K233-L236 PolarHBondContact O-N 2.97Å; K233-L237 HydrophobicContact CG-CD1 4.4Å; K233-L237 WeakPolarHBondContact O-CG 3.4Å; K233-L237 PolarHBondContact O-N 3.14Å
234D97.7Very high91.7Very high8 Ų845.5 Ų45.54%0.04324%0.239CC..Hα-helixtrans-63.2-44.4178.2-165.561000111.7F144 Q145 N146 L147 W230 Q231 E232 L237 T238F144-D234 HydrophobicContact CB-CB 4.36Å; F144-D234 HydrophobicContact CD1-CB 4.16Å; Q145-D234 PolarHBondContact N-OD1 2.98Å; Q145-D234 PolarHBondContact N-OD2 3.39Å; N146-D234 WeakPolarHBondContact CA-OD1 3.25Å; N146-D234 VanDerWaalsContact CB-OD1 3.28Å; N146-D234 WeakPolarHBondContact CB-OD1 3.34Å; N146-D234 PolarHBondContact N-OD1 2.89Å; N146-D234 PolarHBondContact ND2-O 3.27Å; L147-D234 HydrophobicContact CD1-CB 3.95Å; L147-D234 PolarHBondContact N-OD1 3.31Å; W230-D234 WeakPolarHBondContact O-CB 3.44Å; W230-D234 PolarHBondContact O-N 2.97Å; Q231-D234 PolarHBondContact O-N 2.9Å; E232-D234 VanDerWaalsContact C-N 3.31Å; E232-D234 PolarHBondContact O-N 3.34Å; D234-L237 PolarHBondContact O-N 2.87Å; D234-T238 PolarHBondContact O-N 3.4Å; D234-T238 PolarHBondContact O-OG1 3.29Å
235R97Very high89.6Confident138 Ų13851.4 Ų51.452%0.52126%0.257SS..Hα-helixtrans-62.1-44.1174.7-72.5-170.5-63.5-102.21.5112Q231 E232 L237 T238 S239Q231-R235 WeakPolarHBondContact O-CG 3.45Å; Q231-R235 PolarHBondContact O-N 3.21Å; E232-R235 PolarHBondContact O-N 3.01Å; R235-L237 VanDerWaalsContact C-N 3.33Å; R235-L237 PolarHBondContact O-N 2.89Å; R235-T238 WeakPolarHBondContact O-CB 3.32Å; R235-T238 PolarHBondContact O-N 2.77Å; R235-S239 PolarHBondContact O-N 2.78Å
236L96.5Very high87.2Confident43 Ų4357.5 Ų57.523%0.22529%0.288CS..Hα-helixtrans-62.1-41.3175.8178.561.1000111.2T173 H198 E232 K233 T238 S239 L240T173-L236 HydrophobicContact CG2-CD2 4.14Å; T173-L236 HydrophobicContact CG2-CG 4.46Å; H198-L236 HydrophobicContact CB-CD2 3.81Å; E232-L236 PolarHBondContact O-N 3.47Å; K233-L236 PolarHBondContact O-N 2.97Å; L236-T238 VanDerWaalsContact C-N 3.31Å; L236-T238 PolarHBondContact O-N 3.33Å; L236-S239 PolarHBondContact O-N 2.7Å; L236-S239 PolarHBondContact O-OG 3.42Å; L236-L240 HydrophobicContact CD1-CD1 4.18Å; L236-L240 HydrophobicContact CD1-CD2 4.46Å; L236-L240 HydrophobicContact CD1-CG 4.05Å; L236-L240 HydrophobicContact CG-CD1 4.02Å; L236-L240 HydrophobicContact CG-CG 4.31Å; L236-L240 WeakPolarHBondContact O-CB 3.29Å; L236-L240 VanDerWaalsContact O-CG 3.23Å; L236-L240 WeakPolarHBondContact O-CG 3.08Å; L236-L240 PolarHBondContact O-N 2.97Å
237L96Very high84.7Confident0 Ų063.9 Ų63.90%032%0.322CS..Hα-helixtrans-61.9-40.5174.7-76.2170.6000112N146 L147 T173 C175 K233 D234 R235 L240 M241N146-L237 HydrophobicContact CB-CB 3.99Å; N146-L237 HydrophobicContact CB-CD1 4.08Å; L147-L237 HydrophobicContact CD1-CD1 4.2Å; L147-L237 HydrophobicContact CD2-CD1 3.43Å; L147-L237 VanDerWaalsContact CD2-CD1 3.43Å; L147-L237 HydrophobicContact CG-CD1 3.8Å; T173-L237 HydrophobicContact CG2-CD1 4.45Å; T173-L237 HydrophobicContact CG2-CD2 3.59Å; T173-L237 HydrophobicContact CG2-CG 3.71Å; C175-L237 HydrophobicContact CB-CD2 3.97Å; K233-L237 HydrophobicContact CG-CD1 4.4Å; K233-L237 WeakPolarHBondContact O-CG 3.4Å; K233-L237 PolarHBondContact O-N 3.14Å; D234-L237 PolarHBondContact O-N 2.87Å; R235-L237 VanDerWaalsContact C-N 3.33Å; R235-L237 PolarHBondContact O-N 2.89Å; L237-L240 PolarHBondContact O-N 3.45Å; L237-M241 WeakPolarHBondContact O-CB 3.44Å; L237-M241 VanDerWaalsContact O-CG 3.26Å; L237-M241 WeakPolarHBondContact O-CG 3.37Å; L237-M241 PolarHBondContact O-N 3.35Å
238T94.8Very high82Confident46 Ų4671.3 Ų71.328%0.28235%0.351SS..Hα-helixtrans-60.9-45.7174.1-64.10000111.2Q145 N146 D234 R235 L236 M241 S242Q145-T238 PolarHBondContact OE1-OG1 3.37Å; N146-T238 PolarHBondContact ND2-N 2.99Å; N146-T238 PolarHBondContact ND2-OG1 3.36Å; D234-T238 PolarHBondContact O-N 3.4Å; D234-T238 PolarHBondContact O-OG1 3.29Å; R235-T238 WeakPolarHBondContact O-CB 3.32Å; R235-T238 PolarHBondContact O-N 2.77Å; L236-T238 VanDerWaalsContact C-N 3.31Å; L236-T238 PolarHBondContact O-N 3.33Å; T238-M241 PolarHBondContact O-N 3.36Å; T238-S242 VanDerWaalsContact O-CB 3.27Å; T238-S242 WeakPolarHBondContact O-CB 3.15Å; T238-S242 PolarHBondContact O-N 3.35Å; T238-S242 PolarHBondContact O-OG 3.29Å
239S93.1Very high81.3Confident51 Ų5171.5 Ų71.536%0.35734%0.344SS..Hα-helixtrans-62.4-48.6179.171.50000111.2R235 L236 M241 S242 S243R235-S239 PolarHBondContact O-N 2.78Å; L236-S239 PolarHBondContact O-N 2.7Å; L236-S239 PolarHBondContact O-OG 3.42Å; S239-M241 VanDerWaalsContact C-N 3.32Å; S239-M241 PolarHBondContact O-N 3.1Å; S239-S242 WeakPolarHBondContact CA-OG 3.2Å; S239-S242 PolarHBondContact O-N 2.81Å; S239-S242 PolarHBondContact O-OG 2.9Å; S239-S243 PolarHBondContact O-N 3.19Å; S239-S243 PolarHBondContact O-OG 2.82Å
240L91Very high80.5Confident25 Ų2574.7 Ų74.713%0.13136%0.36CS..Hα-helixtrans-60.7-37.8179.2-67.7178.7000113C175 V196 L236 L237C175-L240 HydrophobicContact CB-CB 4.45Å; C175-L240 HydrophobicContact CB-CD1 4.2Å; V196-L240 HydrophobicContact CG1-CD1 3.95Å; V196-L240 HydrophobicContact CG1-CD2 3.85Å; V196-L240 HydrophobicContact CG1-CG 4.46Å; L236-L240 HydrophobicContact CD1-CD1 4.18Å; L236-L240 HydrophobicContact CD1-CD2 4.46Å; L236-L240 HydrophobicContact CD1-CG 4.05Å; L236-L240 HydrophobicContact CG-CD1 4.02Å; L236-L240 HydrophobicContact CG-CG 4.31Å; L236-L240 WeakPolarHBondContact O-CB 3.29Å; L236-L240 VanDerWaalsContact O-CG 3.23Å; L236-L240 WeakPolarHBondContact O-CG 3.08Å; L236-L240 PolarHBondContact O-N 2.97Å; L237-L240 PolarHBondContact O-N 3.45Å
241M86.8Confident79.6Confident40 Ų4078.9 Ų78.920%0.19738%0.38CS..Hα-helixtrans-73.3-32.4174.5-71.7-179.5166.600112.3L237 T238 S239 Q244L237-M241 WeakPolarHBondContact O-CB 3.44Å; L237-M241 VanDerWaalsContact O-CG 3.26Å; L237-M241 WeakPolarHBondContact O-CG 3.37Å; L237-M241 PolarHBondContact O-N 3.35Å; T238-M241 PolarHBondContact O-N 3.36Å; S239-M241 VanDerWaalsContact C-N 3.32Å; S239-M241 PolarHBondContact O-N 3.1Å; M241-Q244 WeakPolarHBondContact O-CB 3.2Å
242S80.6Confident78.5Confident55 Ų5579.4 Ų79.439%0.38538%0.383SS..Hα-helixtrans-76.1-31.4-179.273.20000113.5T238 S239 Q244 R245T238-S242 VanDerWaalsContact O-CB 3.27Å; T238-S242 WeakPolarHBondContact O-CB 3.15Å; T238-S242 PolarHBondContact O-N 3.35Å; T238-S242 PolarHBondContact O-OG 3.29Å; S239-S242 WeakPolarHBondContact CA-OG 3.2Å; S239-S242 PolarHBondContact O-N 2.81Å; S239-S242 PolarHBondContact O-OG 2.9Å; S242-Q244 PolarHBondContact O-N 3.17Å; S242-R245 WeakPolarHBondContact O-CB 3.26Å; S242-R245 PolarHBondContact O-N 3.3Å
243S68.2Low77.3Confident58 Ų5878.7 Ų78.741%0.40638%0.38SS..THydrogen-bonded Turntrans-58.3-17.5174.9-540000112.7S239S239-S243 PolarHBondContact O-N 3.19Å; S239-S243 PolarHBondContact O-OG 2.82Å
244Q58Low76Confident37 Ų3783.7 Ų83.717%0.17341%0.405CS..THydrogen-bonded Turntrans-68.7-38.3167.5-74-167.4-52.800114.1P177 D178 M241 S242 Q246 N247P177-Q244 VanDerWaalsContact C-CD 3.47Å; P177-Q244 HydrophobicContact CB-CG 3.74Å; P177-Q244 VanDerWaalsContact O-CD 3.25Å; P177-Q244 PolarHBondContact O-NE2 2.62Å; P177-Q244 PolarHBondContact O-OE1 2.95Å; P177-Q244 VanDerWaalsContact O-OE1 3.06Å; D178-Q244 VanDerWaalsContact CA-NE2 3.32Å; D178-Q244 VanDerWaalsContact CG-NE2 3.26Å; D178-Q244 PolarHBondContact OD1-NE2 2.8Å; M241-Q244 WeakPolarHBondContact O-CB 3.2Å; S242-Q244 PolarHBondContact O-N 3.17Å; Q244-Q246 PolarHBondContact O-N 3.4Å; Q244-N247 PolarHBondContact O-N 2.88Å
245R50.5Low74.4Confident218 Ų21889.1 Ų89.182%0.82343%0.43SS*.THydrogen-bonded Turntrans-68.6-19.5-173.8-71-170-174.2-171.52.2112.5S242S242-R245 WeakPolarHBondContact O-CB 3.26Å; S242-R245 PolarHBondContact O-N 3.3Å
246Q44.7Very low72.7Confident171 Ų17185.4 Ų85.480%0.79942%0.423SS*.THydrogen-bonded Turntrans-91.9-16.7178-65.9-176.3-4.800113.4Q244Q244-Q246 PolarHBondContact O-N 3.4Å
247N44Very low70.7Confident136 Ų13688.9 Ų88.973%0.72744%0.44SS*.  trans-1029.8-178.6-75.4-3.9000113.7Q244Q244-N247 PolarHBondContact O-N 2.88Å
248K40.4Very low68.4Low230 Ų23097 Ų97100%148%0.48SS*.  trans-113.40170.3-76.3-171.6176.8-176.70109.3

Retrieved 248 of 248 residues in 135.9 ms (Link to these results)

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