A0A3Q0KJC9_SCHMA Loading...

1,4-alpha-glucan branching enzyme AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KJC9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 684 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
1M59.1Low89.4Confident133 Ų13386 Ų8666%0.65545%0.447SS*.  0131.50-64.1178.9-150.200107.9Y3 D42M1-Y3 HydrophobicContact CB-CE1 3.74Å; M1-Y3 HydrophobicContact CB-CE2 4.23Å; M1-Y3 HydrophobicContact SD-CE1 4.15Å; M1-Y3 PolarHBondContact SD-OH 2.59Å; M1-D42 HydrophobicContact CE-CB 4.33Å; M1-D42 HydrophobicContact SD-CB 3.99Å
2F79.3Confident89.9Confident214 Ų21489.1 Ų89.194%0.93947%0.465SS*.  trans-100.6114.5174.4-64.1-76.2000107.4
3Y90.2Very high90.5Very high36 Ų3682.5 Ų82.514%0.14143%0.43CS..  trans-98145.1177.2-52.3-61.7000110.2M1 E7 I8 R35 K38 C39 D42M1-Y3 HydrophobicContact CB-CE1 3.74Å; M1-Y3 HydrophobicContact CB-CE2 4.23Å; M1-Y3 HydrophobicContact SD-CE1 4.15Å; M1-Y3 PolarHBondContact SD-OH 2.59Å; Y3-E7 WeakPolarHBondContact CA-OE2 3.48Å; Y3-I8 HydrophobicContact CG-CG1 4.47Å; Y3-R35 HydrophobicContact CD2-CG 3.85Å; Y3-R35 HydrophobicContact CE2-CG 4.3Å; Y3-K38 HydrophobicContact CD1-CG 3.99Å; Y3-K38 HydrophobicContact CD2-CG 4.34Å; Y3-K38 HydrophobicContact CE1-CG 3.77Å; Y3-K38 HydrophobicContact CE2-CB 4.35Å; Y3-K38 HydrophobicContact CE2-CG 4.12Å; Y3-K38 HydrophobicContact CG-CG 4.27Å; Y3-C39 VanDerWaalsContact CE2-SG 3.56Å; Y3-C39 WeakPolarHBondContact OH-CA 3.33Å; Y3-C39 PolarHBondContact OH-SG 3.22Å; Y3-C39 VanDerWaalsContact OH-SG 3.39Å; Y3-D42 WeakPolarHBondContact CE1-OD2 3.4Å; Y3-D42 PolarHBondContact OH-OD2 2.66Å
4T92.6Very high91.1Very high61 Ų6181.6 Ų81.637%0.37443%0.433SS..  trans-74.1155167.574.40000110.4E6 E7 I8T4-E6 VanDerWaalsContact CB-OE2 3.23Å; T4-E6 WeakPolarHBondContact CB-OE2 3.11Å; T4-E6 PolarHBondContact O-N 3.11Å; T4-E6 PolarHBondContact OG1-OE2 2.65Å; T4-E6 VanDerWaalsContact OG1-OE2 3.1Å; T4-E7 PolarHBondContact N-OE2 3.49Å; T4-E7 PolarHBondContact O-N 3.31Å; T4-E7 VanDerWaalsContact O-N 3.16Å; T4-E7 WeakPolarHBondContact OG1-CG 3.2Å; T4-E7 PolarHBondContact OG1-N 3.46Å; T4-E7 VanDerWaalsContact OG1-N 3.14Å; T4-I8 WeakPolarHBondContact O-CG1 3.49Å; T4-I8 PolarHBondContact O-N 2.72Å; T4-I8 VanDerWaalsContact O-N 3.1Å
5P92.2Very high91.5Very high78 Ų7880.7 Ų80.751%0.50643%0.428SS..Hα-helixtrans-53.9-36.4171.8-2736.2000112.6I8 E9P5-I8 PolarHBondContact O-N 3.15Å; P5-E9 WeakPolarHBondContact O-CB 3.06Å; P5-E9 WeakPolarHBondContact O-CG 3.45Å; P5-E9 PolarHBondContact O-N 3.08Å
6E94.6Very high91.8Very high133 Ų13376.6 Ų76.662%0.62141%0.406SS*.Hα-helixtrans-67.2-40178.8-59.573.6-156.400112.1T4 I8 E9 A10T4-E6 VanDerWaalsContact CB-OE2 3.23Å; T4-E6 WeakPolarHBondContact CB-OE2 3.11Å; T4-E6 PolarHBondContact O-N 3.11Å; T4-E6 PolarHBondContact OG1-OE2 2.65Å; T4-E6 VanDerWaalsContact OG1-OE2 3.1Å; E6-I8 VanDerWaalsContact C-N 3.34Å; E6-E9 PolarHBondContact O-N 2.94Å; E6-A10 WeakPolarHBondContact O-CB 2.95Å; E6-A10 PolarHBondContact O-N 3.24Å
7E94.2Very high92.2Very high87 Ų8777.8 Ų77.841%0.40741%0.409SS..Hα-helixtrans-62.9-42.2174.8-75.5173.7149.600111.3Y3 T4 A10 V11Y3-E7 WeakPolarHBondContact CA-OE2 3.48Å; T4-E7 PolarHBondContact N-OE2 3.49Å; T4-E7 PolarHBondContact O-N 3.31Å; T4-E7 VanDerWaalsContact O-N 3.16Å; T4-E7 WeakPolarHBondContact OG1-CG 3.2Å; T4-E7 PolarHBondContact OG1-N 3.46Å; T4-E7 VanDerWaalsContact OG1-N 3.14Å; E7-A10 PolarHBondContact O-N 3.07Å; E7-V11 WeakPolarHBondContact O-CG2 3.45Å
8I95.3Very high92.4Very high8 Ų877.7 Ų77.74%0.04141%0.409CS..Hα-helixtrans-66.5-44.5176.6-62.7166.4000109.9Y3 T4 P5 E6 A10 V11 H31 K34 R35Y3-I8 HydrophobicContact CG-CG1 4.47Å; T4-I8 WeakPolarHBondContact O-CG1 3.49Å; T4-I8 PolarHBondContact O-N 2.72Å; T4-I8 VanDerWaalsContact O-N 3.1Å; P5-I8 PolarHBondContact O-N 3.15Å; E6-I8 VanDerWaalsContact C-N 3.34Å; I8-A10 VanDerWaalsContact C-N 3.27Å; I8-A10 PolarHBondContact O-N 2.53Å; I8-V11 VanDerWaalsContact O-CB 3.26Å; I8-V11 WeakPolarHBondContact O-CB 3.29Å; I8-V11 WeakPolarHBondContact O-CG2 3.39Å; I8-V11 PolarHBondContact O-N 3.31Å; I8-V11 VanDerWaalsContact O-N 3.1Å; I8-H31 WeakPolarHBondContact CD1-NE2 3.38Å; I8-H31 VanDerWaalsContact CG2-CE1 3.44Å; I8-H31 WeakPolarHBondContact CG2-CE1 3.23Å; I8-H31 WeakPolarHBondContact CG2-O 3.26Å; I8-K34 HydrophobicContact CG2-CB 3.86Å; I8-K34 WeakPolarHBondContact O-CE 3.26Å; I8-R35 HydrophobicContact CD1-CB 4.01Å; I8-R35 HydrophobicContact CD1-CG 3.74Å; I8-R35 HydrophobicContact CG1-CB 4.17Å; I8-R35 HydrophobicContact CG1-CG 4.07Å; I8-R35 HydrophobicContact CG2-CB 4.09Å
9E94.2Very high92.7Very high99 Ų9973.7 Ų73.746%0.46339%0.388SS..Hα-helixtrans-67.1-28.8-179.5-74.6-49.7141.900113.3P5 E6 V11 H31 K34P5-E9 WeakPolarHBondContact O-CB 3.06Å; P5-E9 WeakPolarHBondContact O-CG 3.45Å; P5-E9 PolarHBondContact O-N 3.08Å; E6-E9 PolarHBondContact O-N 2.94Å; E9-V11 PolarHBondContact O-N 2.83Å; E9-H31 IonicContact OE1-CE1 3.34Å; E9-H31 IonicContact OE1-CG 3.83Å; E9-H31 IonicContact OE1-ND1 3.07Å; E9-H31 PolarHBondContact OE1-ND1 3.31Å; E9-K34 PolarHBondContact O-NZ 3Å; E9-K34 IonicContact OE2-NZ 3.25Å; E9-K34 PolarHBondContact OE2-NZ 3.3Å
10A95.1Very high92.9Very high84 Ų8470.5 Ų70.569%0.69437%0.37SS*.THydrogen-bonded Turntrans-71.6-14.817400000113.9E6 E7 I8 N12E6-A10 WeakPolarHBondContact O-CB 2.95Å; E6-A10 PolarHBondContact O-N 3.24Å; E7-A10 PolarHBondContact O-N 3.07Å; I8-A10 VanDerWaalsContact C-N 3.27Å; I8-A10 PolarHBondContact O-N 2.53Å; A10-N12 PolarHBondContact O-N 3.25Å
11V96.8Very high93.1Very high13 Ų1374 Ų748%0.07939%0.385CS..  trans-65.6122.9179.6176.60000110.4E7 I8 E9 V13 K34 Y37 K38 L41E7-V11 WeakPolarHBondContact O-CG2 3.45Å; I8-V11 VanDerWaalsContact O-CB 3.26Å; I8-V11 WeakPolarHBondContact O-CB 3.29Å; I8-V11 WeakPolarHBondContact O-CG2 3.39Å; I8-V11 PolarHBondContact O-N 3.31Å; I8-V11 VanDerWaalsContact O-N 3.1Å; E9-V11 PolarHBondContact O-N 2.83Å; V11-V13 HydrophobicContact CG1-CG2 4.06Å; V11-K34 HydrophobicContact CB-CB 4.36Å; V11-K34 WeakPolarHBondContact O-CE 3.4Å; V11-Y37 HydrophobicContact CG1-CD1 3.67Å; V11-Y37 HydrophobicContact CG1-CG 4.47Å; V11-K38 HydrophobicContact CG2-CB 3.63Å; V11-K38 HydrophobicContact CG2-CD 3.77Å; V11-K38 HydrophobicContact CG2-CG 4Å; V11-L41 HydrophobicContact CG1-CD1 4.28Å
12N95.6Very high94.8Very high123 Ų12370.2 Ų70.266%0.65837%0.367SS*.  trans-95109.5169.7-174.733.9000110.2A10 P14 Y37A10-N12 PolarHBondContact O-N 3.25Å; N12-P14 WeakPolarHBondContact O-CD 3.48Å; N12-Y37 WeakPolarHBondContact O-CE1 3.46Å
13V97.9Very high95.6Very high3 Ų361.2 Ų61.22%0.01833%0.329CS..  trans-90.4109.1169.8-177.20000107.3V11 N15 I16 K34 Y37 S411V11-V13 HydrophobicContact CG1-CG2 4.06Å; V13-N15 VanDerWaalsContact C-N 3.32Å; V13-N15 PolarHBondContact O-N 2.89Å; V13-N15 VanDerWaalsContact O-N 3.09Å; V13-I16 HydrophobicContact CB-CB 3.83Å; V13-I16 HydrophobicContact CB-CD1 4.16Å; V13-I16 HydrophobicContact CB-CG1 4.47Å; V13-I16 HydrophobicContact CB-CG2 4.27Å; V13-I16 HydrophobicContact CG1-CB 3.81Å; V13-I16 HydrophobicContact CG1-CD1 4.45Å; V13-I16 HydrophobicContact CG1-CG1 4.4Å; V13-I16 HydrophobicContact CG2-CD1 4.26Å; V13-I16 WeakPolarHBondContact O-CG2 3.44Å; V13-I16 PolarHBondContact O-N 2.9Å; V13-K34 HydrophobicContact CG2-CG 4.04Å; V13-Y37 HydrophobicContact CB-CD1 4.35Å; V13-Y37 HydrophobicContact CB-CG 4.43Å; V13-Y37 HydrophobicContact CG1-CD2 4.21Å; V13-Y37 HydrophobicContact CG1-CE2 4.41Å; V13-Y37 HydrophobicContact CG1-CG 4.32Å; V13-Y37 HydrophobicContact CG2-CD1 3.69Å; V13-Y37 HydrophobicContact CG2-CD2 4.37Å; V13-Y37 HydrophobicContact CG2-CE1 4.38Å; V13-Y37 HydrophobicContact CG2-CG 3.67Å; V13-S411 WeakPolarHBondContact CG1-O 3.19Å
14P97.7Very high95.9Very high71 Ų7163.4 Ų63.446%0.46135%0.347SS..THydrogen-bonded Turntrans-51.7-42.4-161.5-30.735.1000115.7N12 Y37N12-P14 WeakPolarHBondContact O-CD 3.48Å; P14-Y37 VanDerWaalsContact CD-OH 3.28Å; P14-Y37 WeakPolarHBondContact CD-OH 3.39Å
15N97.4Very high96Very high67 Ų6769.4 Ų69.436%0.35836%0.364SS..THydrogen-bonded Turntrans-120.722.3-172.2-64.1-39.5000112.9V13 Q17 N18 S411 E412V13-N15 VanDerWaalsContact C-N 3.32Å; V13-N15 PolarHBondContact O-N 2.89Å; V13-N15 VanDerWaalsContact O-N 3.09Å; N15-Q17 PolarHBondContact O-N 2.93Å; N15-N18 WeakPolarHBondContact O-CB 3.19Å; N15-N18 PolarHBondContact O-N 3.49Å; N15-S411 PolarHBondContact N-O 2.86Å; N15-S411 PolarHBondContact ND2-OG 3.05Å; N15-S411 VanDerWaalsContact ND2-OG 3.13Å; N15-E412 HydrophobicContact CB-CG 3.77Å
16I97.4Very high96.2Very high15 Ų1565.8 Ų65.88%0.07734%0.34CS..Hα-helixtrans-57.3-27.1-177.1-164.3169000113.5V13 N18 L19 L20 K30 I33 K34V13-I16 HydrophobicContact CB-CB 3.83Å; V13-I16 HydrophobicContact CB-CD1 4.16Å; V13-I16 HydrophobicContact CB-CG1 4.47Å; V13-I16 HydrophobicContact CB-CG2 4.27Å; V13-I16 HydrophobicContact CG1-CB 3.81Å; V13-I16 HydrophobicContact CG1-CD1 4.45Å; V13-I16 HydrophobicContact CG1-CG1 4.4Å; V13-I16 HydrophobicContact CG2-CD1 4.26Å; V13-I16 WeakPolarHBondContact O-CG2 3.44Å; V13-I16 PolarHBondContact O-N 2.9Å; I16-N18 VanDerWaalsContact C-N 3.3Å; I16-N18 PolarHBondContact O-N 3.32Å; I16-L19 WeakPolarHBondContact O-CB 3.33Å; I16-L19 PolarHBondContact O-N 3.28Å; I16-L20 HydrophobicContact CD1-CD1 4.47Å; I16-L20 HydrophobicContact CG1-CD1 3.95Å; I16-L20 HydrophobicContact CG1-CG 4.27Å; I16-L20 VanDerWaalsContact O-CG 3.32Å; I16-L20 WeakPolarHBondContact O-CG 3.41Å; I16-L20 PolarHBondContact O-N 3.27Å; I16-K30 HydrophobicContact CD1-CG 4.01Å; I16-I33 HydrophobicContact CD1-CG2 4.01Å; I16-K34 HydrophobicContact CD1-CG 4.24Å
17Q97.3Very high96.3Very high97 Ų9763.6 Ų63.645%0.45333%0.33SS..Hα-helixtrans-65.2-32.9176.6-63.6-55.8-46.400112.6N15 L19 L20 Q21N15-Q17 PolarHBondContact O-N 2.93Å; Q17-L19 VanDerWaalsContact C-N 3.31Å; Q17-L19 PolarHBondContact O-N 3.02Å; Q17-L20 PolarHBondContact O-N 2.79Å; Q17-Q21 WeakPolarHBondContact O-CB 3.39Å; Q17-Q21 WeakPolarHBondContact O-CG 3.47Å; Q17-Q21 PolarHBondContact O-N 3.06Å
18N97.2Very high96.5Very high77 Ų7764.5 Ų64.541%0.41234%0.343SS..Hα-helixtrans-63.4-42.4175.4-64.3-8.1000110.4N15 I16 Q21 L22 E412N15-N18 WeakPolarHBondContact O-CB 3.19Å; N15-N18 PolarHBondContact O-N 3.49Å; I16-N18 VanDerWaalsContact C-N 3.3Å; I16-N18 PolarHBondContact O-N 3.32Å; N18-Q21 PolarHBondContact O-N 3.43Å; N18-L22 VanDerWaalsContact O-CB 3.31Å; N18-L22 WeakPolarHBondContact O-CB 3.48Å; N18-L22 PolarHBondContact O-N 3.34Å; N18-E412 HydrophobicContact CB-CG 4.49Å
19L96.8Very high96.5Very high2 Ų266.5 Ų66.51%0.0135%0.35CS..Hα-helixtrans-63-48.4176.7176.765.9000111.9I16 Q17 Q21 L22 D23 L26 I33 T405 R408 E412I16-L19 WeakPolarHBondContact O-CB 3.33Å; I16-L19 PolarHBondContact O-N 3.28Å; Q17-L19 VanDerWaalsContact C-N 3.31Å; Q17-L19 PolarHBondContact O-N 3.02Å; L19-Q21 VanDerWaalsContact C-N 3.29Å; L19-Q21 PolarHBondContact O-N 3.18Å; L19-L22 WeakPolarHBondContact O-CB 3.46Å; L19-L22 PolarHBondContact O-N 2.88Å; L19-D23 PolarHBondContact O-N 3.31Å; L19-L26 HydrophobicContact CD1-CD1 3.68Å; L19-L26 HydrophobicContact CD2-CD1 4.06Å; L19-L26 HydrophobicContact CG-CD1 3.76Å; L19-I33 HydrophobicContact CD2-CD1 4.13Å; L19-T405 HydrophobicContact CD1-CG2 3.93Å; L19-T405 HydrophobicContact CD2-CG2 3.64Å; L19-T405 HydrophobicContact CG-CG2 4.36Å; L19-R408 HydrophobicContact CD1-CG 4.01Å; L19-E412 HydrophobicContact CB-CB 4.17Å; L19-E412 VanDerWaalsContact CD2-O 3.32Å; L19-E412 WeakPolarHBondContact CD2-O 3.15Å
20L97Very high96.6Very high8 Ų864.7 Ų64.74%0.04234%0.341CS..Hα-helixtrans-69.8-25.9-177.8-63.4168.2000112.6I16 Q17 D23 P24 L26 E27 K30I16-L20 HydrophobicContact CD1-CD1 4.47Å; I16-L20 HydrophobicContact CG1-CD1 3.95Å; I16-L20 HydrophobicContact CG1-CG 4.27Å; I16-L20 VanDerWaalsContact O-CG 3.32Å; I16-L20 WeakPolarHBondContact O-CG 3.41Å; I16-L20 PolarHBondContact O-N 3.27Å; Q17-L20 PolarHBondContact O-N 2.79Å; L20-D23 CarbonylContact O-C 3.43Å; L20-P24 WeakPolarHBondContact O-CA 3.32Å; L20-L26 HydrophobicContact CD2-CB 3.91Å; L20-E27 WeakPolarHBondContact CD1-OE2 3.31Å; L20-K30 HydrophobicContact CD1-CD 4.07Å; L20-K30 HydrophobicContact CD1-CG 4.44Å
21Q96.8Very high96.6Very high145 Ų14564.2 Ų64.268%0.67832%0.324SS*.Hα-helixtrans-75.1-39.5170.6-74.3172.714.900112.2Q17 N18 L19Q17-Q21 WeakPolarHBondContact O-CB 3.39Å; Q17-Q21 WeakPolarHBondContact O-CG 3.47Å; Q17-Q21 PolarHBondContact O-N 3.06Å; N18-Q21 PolarHBondContact O-N 3.43Å; L19-Q21 VanDerWaalsContact C-N 3.29Å; L19-Q21 PolarHBondContact O-N 3.18Å
22L95.2Very high96.5Very high53 Ų5365.2 Ų65.228%0.27733%0.328SS..Hα-helixtrans-66.3-41.8177.2-173.972.9000111.4N18 L19 Y455N18-L22 VanDerWaalsContact O-CB 3.31Å; N18-L22 WeakPolarHBondContact O-CB 3.48Å; N18-L22 PolarHBondContact O-N 3.34Å; L19-L22 WeakPolarHBondContact O-CB 3.46Å; L19-L22 PolarHBondContact O-N 2.88Å; L22-Y455 HydrophobicContact CD1-CD1 3.41Å; L22-Y455 VanDerWaalsContact CD1-CD1 3.41Å; L22-Y455 HydrophobicContact CD1-CE1 3.45Å; L22-Y455 VanDerWaalsContact CD1-CE1 3.45Å; L22-Y455 HydrophobicContact CG-CD1 4.18Å
23D95.7Very high96.6Very high25 Ų2559.4 Ų59.413%0.13430%0.297CS..  trans-137.186.1-179.5-174.2-1.8000111.3L19 L20 W25 L26 Y363L19-D23 PolarHBondContact O-N 3.31Å; L20-D23 CarbonylContact O-C 3.43Å; D23-W25 PolarHBondContact O-N 2.86Å; D23-W25 VanDerWaalsContact O-N 3.09Å; D23-W25 WeakPolarHBondContact OD1-CB 3.11Å; D23-W25 PolarHBondContact OD1-N 2.99Å; D23-L26 HydrophobicContact CB-CD1 3.92Å; D23-L26 HydrophobicContact CB-CG 4.33Å; D23-L26 WeakPolarHBondContact O-CB 3.44Å; D23-L26 PolarHBondContact O-N 2.85Å; D23-L26 VanDerWaalsContact O-N 3.14Å; D23-Y363 PolarHBondContact OD1-OH 3.07Å; D23-Y363 VanDerWaalsContact OD1-OH 3.1Å; D23-Y363 VanDerWaalsContact OD2-CE1 3.29Å; D23-Y363 WeakPolarHBondContact OD2-CE1 3.49Å; D23-Y363 VanDerWaalsContact OD2-CZ 3.27Å; D23-Y363 PolarHBondContact OD2-OH 3.06Å
24P96.6Very high96.6Very high82 Ų8260.3 Ų60.353%0.53230%0.301SS..G310 helixtrans-61.9-15.9179.9-25.935.8000114.9L20 L26 E27L20-P24 WeakPolarHBondContact O-CA 3.32Å; P24-L26 PolarHBondContact O-N 3.08Å; P24-E27 PolarHBondContact O-N 3.47Å
25W95.5Very high96.5Very high188 Ų18859.1 Ų59.171%0.71229%0.287SS*.G310 helixtrans-73.1-8.6177.9-64.9-9.9000112.9D23 P28 Y363D23-W25 PolarHBondContact O-N 2.86Å; D23-W25 VanDerWaalsContact O-N 3.09Å; D23-W25 WeakPolarHBondContact OD1-CB 3.11Å; D23-W25 PolarHBondContact OD1-N 2.99Å; W25-P28 WeakPolarHBondContact O-CD 3.43Å; W25-Y363 HydrophobicContact CB-CD2 4.36Å; W25-Y363 HydrophobicContact CB-CE2 3.93Å; W25-Y363 HydrophobicContact CD2-CE2 4.49Å; W25-Y363 AromaticContact CE3-CE2 3.7Å; W25-Y363 HydrophobicContact CE3-CE2 3.7Å
26L96.6Very high96.5Very high1 Ų156 Ų561%0.00527%0.27CS..G310 helixtrans-81.6-12.5172.7-70.7170.4000114.3L19 L20 D23 P24 P28 Y29 K30 I33 Y363 F367 P404 T405L19-L26 HydrophobicContact CD1-CD1 3.68Å; L19-L26 HydrophobicContact CD2-CD1 4.06Å; L19-L26 HydrophobicContact CG-CD1 3.76Å; L20-L26 HydrophobicContact CD2-CB 3.91Å; D23-L26 HydrophobicContact CB-CD1 3.92Å; D23-L26 HydrophobicContact CB-CG 4.33Å; D23-L26 WeakPolarHBondContact O-CB 3.44Å; D23-L26 PolarHBondContact O-N 2.85Å; D23-L26 VanDerWaalsContact O-N 3.14Å; P24-L26 PolarHBondContact O-N 3.08Å; L26-P28 VanDerWaalsContact C-CD 3.45Å; L26-P28 VanDerWaalsContact C-N 3.35Å; L26-Y29 CarbonylContact O-C 3.58Å; L26-Y29 WeakPolarHBondContact O-CA 3.46Å; L26-Y29 PolarHBondContact O-N 2.83Å; L26-K30 PolarHBondContact O-N 3.13Å; L26-I33 HydrophobicContact CB-CD1 4.4Å; L26-I33 HydrophobicContact CD2-CD1 4.45Å; L26-Y363 HydrophobicContact CD2-CD1 3.43Å; L26-Y363 VanDerWaalsContact CD2-CD1 3.43Å; L26-Y363 HydrophobicContact CD2-CE1 3.47Å; L26-Y363 VanDerWaalsContact CD2-CE1 3.47Å; L26-Y363 HydrophobicContact CG-CD1 4.14Å; L26-Y363 HydrophobicContact CG-CE1 3.74Å; L26-F367 HydrophobicContact CD2-CE2 3.7Å; L26-F367 HydrophobicContact CD2-CZ 3.69Å; L26-P404 HydrophobicContact CD2-CB 3.92Å; L26-T405 HydrophobicContact CD1-CG2 3.83Å; L26-T405 HydrophobicContact CD2-CG2 4.43Å
27E96.9Very high96.5Very high88 Ų8856.2 Ų56.241%0.41127%0.27SS..G310 helixtrans-54-42.4-177.6-165.669.2-147.500113.5L20 P24 Y29 K30L20-E27 WeakPolarHBondContact CD1-OE2 3.31Å; P24-E27 PolarHBondContact O-N 3.47Å; E27-Y29 PolarHBondContact O-N 3.43Å; E27-Y29 VanDerWaalsContact O-N 3.16Å; E27-K30 VanDerWaalsContact O-CB 3.24Å; E27-K30 WeakPolarHBondContact O-CB 3.33Å; E27-K30 PolarHBondContact O-N 3.01Å; E27-K30 VanDerWaalsContact OE1-CD 3.3Å; E27-K30 WeakPolarHBondContact OE1-CD 3.33Å; E27-K30 IonicContact OE1-NZ 3.75Å; E27-K30 PolarHBondContact OE1-NZ 2.84Å; E27-K30 VanDerWaalsContact OE1-NZ 3.08Å
28P96.7Very high96.5Very high106 Ų10653.4 Ų53.469%0.68826%0.256SS*.G310 helixtrans-62.8-21.1176.1-2335.7000114.5W25 L26W25-P28 WeakPolarHBondContact O-CD 3.43Å; L26-P28 VanDerWaalsContact C-CD 3.45Å; L26-P28 VanDerWaalsContact C-N 3.35Å
29Y96Very high96.5Very high50 Ų5050.2 Ų50.220%0.19624%0.24CC..G310 helixtrans-1021.9-176.8-55.1-78.9000113L26 E27 H31 E32 I33 Y363 G364 F367L26-Y29 CarbonylContact O-C 3.58Å; L26-Y29 WeakPolarHBondContact O-CA 3.46Å; L26-Y29 PolarHBondContact O-N 2.83Å; E27-Y29 PolarHBondContact O-N 3.43Å; E27-Y29 VanDerWaalsContact O-N 3.16Å; Y29-H31 PolarHBondContact O-N 2.98Å; Y29-E32 PolarHBondContact O-N 2.85Å; Y29-I33 PolarHBondContact O-N 3Å; Y29-Y363 HydrophobicContact CE2-CG 4.13Å; Y29-G364 WeakPolarHBondContact OH-CA 3.48Å; Y29-G364 PolarHBondContact OH-N 2.95Å; Y29-F367 HydrophobicContact CD1-CB 3.43Å; Y29-F367 VanDerWaalsContact CD1-CB 3.43Å; Y29-F367 AromaticContact CD1-CD2 3.38Å; Y29-F367 HydrophobicContact CD1-CD2 3.38Å; Y29-F367 HydrophobicContact CD1-CE2 4.29Å; Y29-F367 AromaticContact CD1-CG 3.56Å; Y29-F367 HydrophobicContact CD1-CG 3.56Å; Y29-F367 HydrophobicContact CD2-CD2 4.03Å; Y29-F367 HydrophobicContact CD2-CE2 4.21Å; Y29-F367 HydrophobicContact CE1-CB 4.02Å; Y29-F367 AromaticContact CE1-CD2 3.99Å; Y29-F367 HydrophobicContact CE1-CD2 3.99Å; Y29-F367 HydrophobicContact CE1-CG 4.37Å; Y29-F367 HydrophobicContact CG-CB 4.22Å; Y29-F367 AromaticContact CG-CD2 3.38Å; Y29-F367 HydrophobicContact CG-CD2 3.38Å; Y29-F367 AromaticContact CG-CE2 3.83Å; Y29-F367 HydrophobicContact CG-CE2 3.83Å; Y29-F367 AromaticContact CG-CG 3.82Å; Y29-F367 HydrophobicContact CG-CG 3.82Å
30K96.3Very high96.6Very high60 Ų6050.3 Ų50.326%0.26124%0.24SC..Hα-helixtrans-51.2-40.5179.1179.4179.3-176.2175.60113.6I16 L20 L26 E27 E32 I33 K34I16-K30 HydrophobicContact CD1-CG 4.01Å; L20-K30 HydrophobicContact CD1-CD 4.07Å; L20-K30 HydrophobicContact CD1-CG 4.44Å; L26-K30 PolarHBondContact O-N 3.13Å; E27-K30 VanDerWaalsContact O-CB 3.24Å; E27-K30 WeakPolarHBondContact O-CB 3.33Å; E27-K30 PolarHBondContact O-N 3.01Å; E27-K30 VanDerWaalsContact OE1-CD 3.3Å; E27-K30 WeakPolarHBondContact OE1-CD 3.33Å; E27-K30 IonicContact OE1-NZ 3.75Å; E27-K30 PolarHBondContact OE1-NZ 2.84Å; E27-K30 VanDerWaalsContact OE1-NZ 3.08Å; K30-E32 VanDerWaalsContact C-N 3.34Å; K30-E32 PolarHBondContact O-N 2.9Å; K30-I33 PolarHBondContact O-N 2.86Å; K30-K34 HydrophobicContact CG-CD 4.26Å; K30-K34 VanDerWaalsContact O-CG 3.31Å; K30-K34 WeakPolarHBondContact O-CG 3.39Å; K30-K34 PolarHBondContact O-N 2.94Å
31H95.4Very high96.6Very high74 Ų7452.9 Ų52.934%0.34325%0.254SS..Hα-helixtrans-60.8-44177.5-175.181.2000111.6I8 E9 Y29 K34 R35I8-H31 WeakPolarHBondContact CD1-NE2 3.38Å; I8-H31 VanDerWaalsContact CG2-CE1 3.44Å; I8-H31 WeakPolarHBondContact CG2-CE1 3.23Å; I8-H31 WeakPolarHBondContact CG2-O 3.26Å; E9-H31 IonicContact OE1-CE1 3.34Å; E9-H31 IonicContact OE1-CG 3.83Å; E9-H31 IonicContact OE1-ND1 3.07Å; E9-H31 PolarHBondContact OE1-ND1 3.31Å; Y29-H31 PolarHBondContact O-N 2.98Å; H31-K34 PolarHBondContact O-N 3.01Å; H31-R35 PolarHBondContact O-N 2.82Å
32E95.5Very high96.6Very high34 Ų3447.7 Ų47.716%0.15923%0.231CC..Hα-helixtrans-69.4-37.9177.6176.457.8-160.500112Y29 K30 K34 R35 R36 F367Y29-E32 PolarHBondContact O-N 2.85Å; K30-E32 VanDerWaalsContact C-N 3.34Å; K30-E32 PolarHBondContact O-N 2.9Å; E32-K34 VanDerWaalsContact C-N 3.34Å; E32-K34 PolarHBondContact O-N 2.83Å; E32-R35 WeakPolarHBondContact O-CB 3.24Å; E32-R35 PolarHBondContact O-N 2.91Å; E32-R35 IonicContact OE1-CZ 3.25Å; E32-R35 IonicContact OE1-NE 3.97Å; E32-R35 PolarHBondContact OE1-NE 3.3Å; E32-R35 IonicContact OE1-NH2 2.78Å; E32-R35 PolarHBondContact OE1-NH2 2.91Å; E32-R35 WeakPolarHBondContact OE2-CD 3.26Å; E32-R35 IonicContact OE2-CZ 3.74Å; E32-R35 IonicContact OE2-NE 2.77Å; E32-R35 PolarHBondContact OE2-NE 2.96Å; E32-R35 IonicContact OE2-NH2 3.61Å; E32-R36 WeakPolarHBondContact O-CG 3.49Å; E32-R36 PolarHBondContact O-N 2.92Å; E32-R36 IonicContact OE1-CZ 2.71Å; E32-R36 IonicContact OE1-NE 3.83Å; E32-R36 PolarHBondContact OE1-NE 3.43Å; E32-R36 IonicContact OE1-NH2 2.66Å; E32-F367 HydrophobicContact CB-CB 4.49Å; E32-F367 HydrophobicContact CB-CD1 4.12Å; E32-F367 HydrophobicContact CG-CB 4.03Å; E32-F367 HydrophobicContact CG-CD1 3.6Å; E32-F367 HydrophobicContact CG-CG 4.27Å
33I96.9Very high96.7Very high1 Ų146.1 Ų46.11%0.00522%0.222CC..Hα-helixtrans-58.9-46.4172.5-65.4167.8000110.3I16 L19 L26 Y29 K30 R35 R36 Y37 F367I16-I33 HydrophobicContact CD1-CG2 4.01Å; L19-I33 HydrophobicContact CD2-CD1 4.13Å; L26-I33 HydrophobicContact CB-CD1 4.4Å; L26-I33 HydrophobicContact CD2-CD1 4.45Å; Y29-I33 PolarHBondContact O-N 3Å; K30-I33 PolarHBondContact O-N 2.86Å; I33-R35 VanDerWaalsContact C-N 3.34Å; I33-R35 PolarHBondContact O-N 2.75Å; I33-R36 PolarHBondContact O-N 3.04Å; I33-Y37 WeakPolarHBondContact O-CB 3.45Å; I33-Y37 PolarHBondContact O-N 3.27Å; I33-F367 HydrophobicContact CD1-CE1 4.37Å; I33-F367 HydrophobicContact CD1-CZ 4.36Å; I33-F367 HydrophobicContact CG1-CE1 3.73Å; I33-F367 HydrophobicContact CG1-CZ 4.2Å
34K97.4Very high96.8Very high22 Ų2246 Ų4610%0.09622%0.22CC..Hα-helixtrans-62.3-40.1176-70.9174.973175.20111.9I8 E9 V11 V13 I16 K30 H31 E32 Y37 K38I8-K34 HydrophobicContact CG2-CB 3.86Å; I8-K34 WeakPolarHBondContact O-CE 3.26Å; E9-K34 PolarHBondContact O-NZ 3Å; E9-K34 IonicContact OE2-NZ 3.25Å; E9-K34 PolarHBondContact OE2-NZ 3.3Å; V11-K34 HydrophobicContact CB-CB 4.36Å; V11-K34 WeakPolarHBondContact O-CE 3.4Å; V13-K34 HydrophobicContact CG2-CG 4.04Å; I16-K34 HydrophobicContact CD1-CG 4.24Å; K30-K34 HydrophobicContact CG-CD 4.26Å; K30-K34 VanDerWaalsContact O-CG 3.31Å; K30-K34 WeakPolarHBondContact O-CG 3.39Å; K30-K34 PolarHBondContact O-N 2.94Å; H31-K34 PolarHBondContact O-N 3.01Å; E32-K34 VanDerWaalsContact C-N 3.34Å; E32-K34 PolarHBondContact O-N 2.83Å; K34-Y37 PolarHBondContact O-N 3.45Å; K34-K38 PolarHBondContact O-N 3Å
35R96.7Very high96.8Very high46 Ų4647.6 Ų47.617%0.17422%0.219CC..Hα-helixtrans-62.4-44.9176.5-169.6-159.76880.61.3111.9Y3 I8 H31 E32 I33 Y37 K38 C39 T373Y3-R35 HydrophobicContact CD2-CG 3.85Å; Y3-R35 HydrophobicContact CE2-CG 4.3Å; I8-R35 HydrophobicContact CD1-CB 4.01Å; I8-R35 HydrophobicContact CD1-CG 3.74Å; I8-R35 HydrophobicContact CG1-CB 4.17Å; I8-R35 HydrophobicContact CG1-CG 4.07Å; I8-R35 HydrophobicContact CG2-CB 4.09Å; H31-R35 PolarHBondContact O-N 2.82Å; E32-R35 WeakPolarHBondContact O-CB 3.24Å; E32-R35 PolarHBondContact O-N 2.91Å; E32-R35 IonicContact OE1-CZ 3.25Å; E32-R35 IonicContact OE1-NE 3.97Å; E32-R35 PolarHBondContact OE1-NE 3.3Å; E32-R35 IonicContact OE1-NH2 2.78Å; E32-R35 PolarHBondContact OE1-NH2 2.91Å; E32-R35 WeakPolarHBondContact OE2-CD 3.26Å; E32-R35 IonicContact OE2-CZ 3.74Å; E32-R35 IonicContact OE2-NE 2.77Å; E32-R35 PolarHBondContact OE2-NE 2.96Å; E32-R35 IonicContact OE2-NH2 3.61Å; I33-R35 VanDerWaalsContact C-N 3.34Å; I33-R35 PolarHBondContact O-N 2.75Å; R35-Y37 VanDerWaalsContact C-N 3.34Å; R35-K38 VanDerWaalsContact O-CB 3.32Å; R35-K38 WeakPolarHBondContact O-CB 3.46Å; R35-K38 PolarHBondContact O-N 3.48Å; R35-C39 PolarHBondContact O-N 2.94Å; R35-C39 VanDerWaalsContact O-N 3.11Å; R35-T373 PolarHBondContact NH2-OG1 2.93Å
36R96Very high96.9Very high3 Ų343.5 Ų43.51%0.01120%0.204CC..Hα-helixtrans-62.1-43.4175.2-69.3170.7-173.1-174.8-7.2111.5E32 I33 K38 C39 F40 Y366 F367E32-R36 WeakPolarHBondContact O-CG 3.49Å; E32-R36 PolarHBondContact O-N 2.92Å; E32-R36 IonicContact OE1-CZ 2.71Å; E32-R36 IonicContact OE1-NE 3.83Å; E32-R36 PolarHBondContact OE1-NE 3.43Å; E32-R36 IonicContact OE1-NH2 2.66Å; I33-R36 PolarHBondContact O-N 3.04Å; R36-K38 VanDerWaalsContact C-N 3.28Å; R36-K38 PolarHBondContact O-N 3.34Å; R36-C39 VanDerWaalsContact O-CB 3.31Å; R36-C39 WeakPolarHBondContact O-CB 3.17Å; R36-C39 PolarHBondContact O-N 3.03Å; R36-C39 VanDerWaalsContact O-N 3.11Å; R36-F40 PolarHBondContact O-N 3.31Å; R36-Y366 PolarHBondContact NH1-O 3.47Å; R36-Y366 PolarHBondContact NH2-O 3.01Å; R36-F367 VanDerWaalsContact CZ-CD1 3.49Å; R36-F367 VanDerWaalsContact NH1-CD1 3.33Å
37Y97.9Very high96.9Very high19 Ų1943.4 Ų43.48%0.07520%0.203CC..Hα-helixtrans-62.4-35.5175.3-163-100.2000112.3V11 N12 V13 P14 I33 K34 R35 F40 L41 M380 V410V11-Y37 HydrophobicContact CG1-CD1 3.67Å; V11-Y37 HydrophobicContact CG1-CG 4.47Å; N12-Y37 WeakPolarHBondContact O-CE1 3.46Å; V13-Y37 HydrophobicContact CB-CD1 4.35Å; V13-Y37 HydrophobicContact CB-CG 4.43Å; V13-Y37 HydrophobicContact CG1-CD2 4.21Å; V13-Y37 HydrophobicContact CG1-CE2 4.41Å; V13-Y37 HydrophobicContact CG1-CG 4.32Å; V13-Y37 HydrophobicContact CG2-CD1 3.69Å; V13-Y37 HydrophobicContact CG2-CD2 4.37Å; V13-Y37 HydrophobicContact CG2-CE1 4.38Å; V13-Y37 HydrophobicContact CG2-CG 3.67Å; P14-Y37 VanDerWaalsContact CD-OH 3.28Å; P14-Y37 WeakPolarHBondContact CD-OH 3.39Å; I33-Y37 WeakPolarHBondContact O-CB 3.45Å; I33-Y37 PolarHBondContact O-N 3.27Å; K34-Y37 PolarHBondContact O-N 3.45Å; R35-Y37 VanDerWaalsContact C-N 3.34Å; Y37-F40 HydrophobicContact CD2-CD1 4.1Å; Y37-F40 AromaticContact CE2-CD1 3.85Å; Y37-F40 HydrophobicContact CE2-CD1 3.85Å; Y37-F40 HydrophobicContact CE2-CE1 4.04Å; Y37-F40 WeakPolarHBondContact O-CB 3.23Å; Y37-F40 PolarHBondContact O-N 3.02Å; Y37-L41 HydrophobicContact CD1-CD1 3.74Å; Y37-L41 HydrophobicContact CD1-CD2 4.49Å; Y37-L41 HydrophobicContact CD1-CG 3.9Å; Y37-L41 HydrophobicContact CE1-CD1 3.71Å; Y37-L41 HydrophobicContact CE1-CD2 3.89Å; Y37-L41 HydrophobicContact CE1-CG 3.79Å; Y37-L41 WeakPolarHBondContact O-CG 3.4Å; Y37-L41 PolarHBondContact O-N 3.29Å; Y37-M380 HydrophobicContact CD2-CE 3.84Å; Y37-V410 HydrophobicContact CE2-CG1 4.17Å; Y37-V410 WeakPolarHBondContact CE2-O 3.47Å
38K97.7Very high97Very high38 Ų3843.3 Ų43.317%0.16521%0.206CC..Hα-helixtrans-60.2-44.4171.1-174.354.4164.476.40112.2Y3 V11 K34 R35 R36 F40 L41 D42Y3-K38 HydrophobicContact CD1-CG 3.99Å; Y3-K38 HydrophobicContact CD2-CG 4.34Å; Y3-K38 HydrophobicContact CE1-CG 3.77Å; Y3-K38 HydrophobicContact CE2-CB 4.35Å; Y3-K38 HydrophobicContact CE2-CG 4.12Å; Y3-K38 HydrophobicContact CG-CG 4.27Å; V11-K38 HydrophobicContact CG2-CB 3.63Å; V11-K38 HydrophobicContact CG2-CD 3.77Å; V11-K38 HydrophobicContact CG2-CG 4Å; K34-K38 PolarHBondContact O-N 3Å; R35-K38 VanDerWaalsContact O-CB 3.32Å; R35-K38 WeakPolarHBondContact O-CB 3.46Å; R35-K38 PolarHBondContact O-N 3.48Å; R36-K38 VanDerWaalsContact C-N 3.28Å; R36-K38 PolarHBondContact O-N 3.34Å; K38-F40 VanDerWaalsContact C-N 3.31Å; K38-F40 PolarHBondContact O-N 3.22Å; K38-L41 PolarHBondContact O-N 3.32Å; K38-D42 IonicContact NZ-OD1 2.66Å; K38-D42 PolarHBondContact NZ-OD1 2.71Å; K38-D42 IonicContact NZ-OD2 3.87Å; K38-D42 PolarHBondContact NZ-OD2 3.03Å; K38-D42 PolarHBondContact O-N 3.19Å
39C97Very high97Very high9 Ų943.5 Ų43.56%0.06120%0.201CC..Hα-helixtrans-56.3-47.2173.5-65.10000111.5Y3 R35 R36 D42 H43 T373 T377Y3-C39 VanDerWaalsContact CE2-SG 3.56Å; Y3-C39 WeakPolarHBondContact OH-CA 3.33Å; Y3-C39 PolarHBondContact OH-SG 3.22Å; Y3-C39 VanDerWaalsContact OH-SG 3.39Å; R35-C39 PolarHBondContact O-N 2.94Å; R35-C39 VanDerWaalsContact O-N 3.11Å; R36-C39 VanDerWaalsContact O-CB 3.31Å; R36-C39 WeakPolarHBondContact O-CB 3.17Å; R36-C39 PolarHBondContact O-N 3.03Å; R36-C39 VanDerWaalsContact O-N 3.11Å; C39-D42 PolarHBondContact O-N 3.23Å; C39-H43 PolarHBondContact O-N 2.97Å; C39-H43 PolarHBondContact O-ND1 2.85Å; C39-T373 HydrophobicContact CB-CG2 4.3Å; C39-T377 HydrophobicContact CB-CG2 4.24Å; C39-T377 WeakPolarHBondContact CB-OG1 3.46Å
40F97.8Very high97Very high4 Ų444.5 Ų44.52%0.01821%0.212CC..Hα-helixtrans-57.6-48.5175.5161.6-100.1000112.2R36 Y37 K38 D42 H43 M44 M380 L381 H384 V410R36-F40 PolarHBondContact O-N 3.31Å; Y37-F40 HydrophobicContact CD2-CD1 4.1Å; Y37-F40 AromaticContact CE2-CD1 3.85Å; Y37-F40 HydrophobicContact CE2-CD1 3.85Å; Y37-F40 HydrophobicContact CE2-CE1 4.04Å; Y37-F40 WeakPolarHBondContact O-CB 3.23Å; Y37-F40 PolarHBondContact O-N 3.02Å; K38-F40 VanDerWaalsContact C-N 3.31Å; K38-F40 PolarHBondContact O-N 3.22Å; F40-D42 VanDerWaalsContact C-N 3.34Å; F40-D42 PolarHBondContact O-N 3.48Å; F40-H43 PolarHBondContact O-N 2.67Å; F40-M44 HydrophobicContact CD2-CG 4.09Å; F40-M44 HydrophobicContact CE1-CG 4.2Å; F40-M44 HydrophobicContact CE2-CG 3.59Å; F40-M44 HydrophobicContact CE2-SD 4.21Å; F40-M44 HydrophobicContact CZ-CG 3.65Å; F40-M44 HydrophobicContact CZ-SD 4.42Å; F40-M44 WeakPolarHBondContact O-CB 3.44Å; F40-M44 WeakPolarHBondContact O-CG 3.31Å; F40-M44 PolarHBondContact O-N 2.78Å; F40-M380 HydrophobicContact CB-CB 4.42Å; F40-M380 HydrophobicContact CB-CE 3.63Å; F40-M380 HydrophobicContact CB-SD 3.98Å; F40-M380 HydrophobicContact CD1-CE 4.3Å; F40-M380 HydrophobicContact CD2-CB 3.82Å; F40-M380 HydrophobicContact CD2-CE 4.46Å; F40-M380 HydrophobicContact CG-CB 4.34Å; F40-M380 HydrophobicContact CG-CE 3.89Å; F40-L381 HydrophobicContact CD2-CD2 3.81Å; F40-L381 HydrophobicContact CD2-CG 4.14Å; F40-L381 HydrophobicContact CE2-CD2 3.91Å; F40-H384 HydrophobicContact CE2-CB 3.85Å; F40-H384 AromaticContact CE2-CD2 3.83Å; F40-H384 AromaticContact CE2-CG 3.96Å; F40-H384 HydrophobicContact CZ-CB 4.04Å; F40-H384 AromaticContact CZ-CD2 3.53Å; F40-H384 AromaticContact CZ-CG 3.69Å; F40-V410 HydrophobicContact CD1-CG1 4.22Å; F40-V410 HydrophobicContact CD2-CG1 4.37Å; F40-V410 HydrophobicContact CE1-CG1 3.9Å; F40-V410 HydrophobicContact CE2-CG1 4.06Å; F40-V410 HydrophobicContact CG-CG1 4.45Å; F40-V410 HydrophobicContact CZ-CG1 3.81Å
41L97.8Very high96.9Very high63 Ų6343.1 Ų43.133%0.3321%0.209SC..Hα-helixtrans-61.6-39.6178.5-70.1177.7000112.7V11 Y37 K38 M44 K45V11-L41 HydrophobicContact CG1-CD1 4.28Å; Y37-L41 HydrophobicContact CD1-CD1 3.74Å; Y37-L41 HydrophobicContact CD1-CD2 4.49Å; Y37-L41 HydrophobicContact CD1-CG 3.9Å; Y37-L41 HydrophobicContact CE1-CD1 3.71Å; Y37-L41 HydrophobicContact CE1-CD2 3.89Å; Y37-L41 HydrophobicContact CE1-CG 3.79Å; Y37-L41 WeakPolarHBondContact O-CG 3.4Å; Y37-L41 PolarHBondContact O-N 3.29Å; K38-L41 PolarHBondContact O-N 3.32Å; L41-M44 PolarHBondContact O-N 2.78Å; L41-K45 WeakPolarHBondContact O-CB 3.3Å; L41-K45 PolarHBondContact O-N 2.64Å
42D96.9Very high97Very high36 Ų3640.4 Ų40.419%0.19320%0.201CC..Hα-helixtrans-68.9-38.4179.1-72.5-19000112.2M1 Y3 K38 C39 F40 K45 W46M1-D42 HydrophobicContact CE-CB 4.33Å; M1-D42 HydrophobicContact SD-CB 3.99Å; Y3-D42 WeakPolarHBondContact CE1-OD2 3.4Å; Y3-D42 PolarHBondContact OH-OD2 2.66Å; K38-D42 IonicContact NZ-OD1 2.66Å; K38-D42 PolarHBondContact NZ-OD1 2.71Å; K38-D42 IonicContact NZ-OD2 3.87Å; K38-D42 PolarHBondContact NZ-OD2 3.03Å; K38-D42 PolarHBondContact O-N 3.19Å; C39-D42 PolarHBondContact O-N 3.23Å; F40-D42 VanDerWaalsContact C-N 3.34Å; F40-D42 PolarHBondContact O-N 3.48Å; D42-K45 PolarHBondContact O-N 2.77Å; D42-W46 WeakPolarHBondContact O-CB 3.16Å; D42-W46 PolarHBondContact O-N 3.17Å
43H97.2Very high97Very high20 Ų2039.8 Ų39.89%0.09320%0.199CC..Hα-helixtrans-69.9-39.7173.9-72.375.4000111.7C39 F40 K45 W46 I47 T377 L381C39-H43 PolarHBondContact O-N 2.97Å; C39-H43 PolarHBondContact O-ND1 2.85Å; F40-H43 PolarHBondContact O-N 2.67Å; H43-K45 VanDerWaalsContact C-N 3.31Å; H43-K45 PolarHBondContact O-N 3.25Å; H43-W46 WeakPolarHBondContact O-CB 3.41Å; H43-W46 PolarHBondContact O-N 2.99Å; H43-I47 WeakPolarHBondContact O-CG1 3.47Å; H43-I47 PolarHBondContact O-N 3.44Å; H43-T377 HydrophobicContact CB-CG2 4.22Å; H43-L381 HydrophobicContact CB-CD1 3.76Å; H43-L381 HydrophobicContact CB-CD2 4.19Å; H43-L381 HydrophobicContact CB-CG 4.48Å
44M97.4Very high97Very high21 Ų2144.1 Ų44.110%0.10322%0.219CC..Hα-helixtrans-58.6-44171.5-81.3-61.2-65.600111.4F40 L41 I47 N48 L53 L381F40-M44 HydrophobicContact CD2-CG 4.09Å; F40-M44 HydrophobicContact CE1-CG 4.2Å; F40-M44 HydrophobicContact CE2-CG 3.59Å; F40-M44 HydrophobicContact CE2-SD 4.21Å; F40-M44 HydrophobicContact CZ-CG 3.65Å; F40-M44 HydrophobicContact CZ-SD 4.42Å; F40-M44 WeakPolarHBondContact O-CB 3.44Å; F40-M44 WeakPolarHBondContact O-CG 3.31Å; F40-M44 PolarHBondContact O-N 2.78Å; L41-M44 PolarHBondContact O-N 2.78Å; M44-I47 PolarHBondContact O-N 3.2Å; M44-N48 WeakPolarHBondContact O-CB 3.32Å; M44-N48 VanDerWaalsContact O-CG 3.24Å; M44-N48 PolarHBondContact O-N 2.91Å; M44-N48 PolarHBondContact O-ND2 3.06Å; M44-N48 VanDerWaalsContact O-ND2 3.13Å; M44-L53 HydrophobicContact CE-CD2 4.19Å; M44-L53 HydrophobicContact SD-CD1 4.36Å; M44-L381 HydrophobicContact CG-CD2 3.61Å; M44-L381 HydrophobicContact SD-CD2 3.56Å; M44-L381 VanDerWaalsContact SD-CD2 3.56Å
45K97.5Very high97.1Very high116 Ų11648 Ų4850%0.50424%0.238SC..Hα-helixtrans-61.1-45.3174.2-174.9-175.8-179.7-61.60111.1L41 D42 H43 I47 N48 D49L41-K45 WeakPolarHBondContact O-CB 3.3Å; L41-K45 PolarHBondContact O-N 2.64Å; D42-K45 PolarHBondContact O-N 2.77Å; H43-K45 VanDerWaalsContact C-N 3.31Å; H43-K45 PolarHBondContact O-N 3.25Å; K45-I47 PolarHBondContact O-N 3.28Å; K45-N48 PolarHBondContact O-N 3.14Å; K45-D49 IonicContact NZ-OD1 3.28Å; K45-D49 IonicContact NZ-OD2 2.7Å; K45-D49 PolarHBondContact NZ-OD2 3.01Å; K45-D49 WeakPolarHBondContact O-CB 3.43Å; K45-D49 VanDerWaalsContact O-CG 3.27Å; K45-D49 PolarHBondContact O-N 2.81Å
46W96.9Very high97.1Very high102 Ų10245.9 Ų45.939%0.38623%0.23SC..Hα-helixtrans-60.1-44.5178.6-171.712.8000112.1D42 H43 N48 D49 V50 L318D42-W46 WeakPolarHBondContact O-CB 3.16Å; D42-W46 PolarHBondContact O-N 3.17Å; H43-W46 WeakPolarHBondContact O-CB 3.41Å; H43-W46 PolarHBondContact O-N 2.99Å; W46-N48 VanDerWaalsContact C-N 3.34Å; W46-N48 PolarHBondContact O-N 3Å; W46-D49 PolarHBondContact O-N 3.42Å; W46-V50 WeakPolarHBondContact O-CG2 3.36Å; W46-V50 PolarHBondContact O-N 3.27Å; W46-L318 HydrophobicContact CD2-CD1 3.95Å; W46-L318 HydrophobicContact CD2-CD2 4.49Å; W46-L318 HydrophobicContact CE3-CD1 4.14Å; W46-L318 HydrophobicContact CG-CD1 4.32Å; W46-L318 HydrophobicContact CH2-CB 3.77Å; W46-L318 HydrophobicContact CZ2-CB 3.69Å; W46-L318 HydrophobicContact CZ2-CD2 4.16Å; W46-L318 HydrophobicContact CZ2-CG 4.32Å; W46-L318 HydrophobicContact CZ3-CB 4.25Å; W46-L318 HydrophobicContact CZ3-CD1 4.5Å
47I97.9Very high97.3Very high0 Ų045.7 Ų45.70%023%0.229CC..Hα-helixtrans-60.6-44.3174.7-70.8167.2000111H43 M44 K45 V50 C51 G52 L53 F56 L318 M325 L381H43-I47 WeakPolarHBondContact O-CG1 3.47Å; H43-I47 PolarHBondContact O-N 3.44Å; M44-I47 PolarHBondContact O-N 3.2Å; K45-I47 PolarHBondContact O-N 3.28Å; I47-V50 PolarHBondContact O-N 3.29Å; I47-C51 PolarHBondContact O-N 3.37Å; I47-G52 PolarHBondContact O-N 2.71Å; I47-L53 HydrophobicContact CG2-CB 4.45Å; I47-L53 HydrophobicContact CG2-CD1 4.31Å; I47-F56 HydrophobicContact CB-CD2 4.48Å; I47-F56 HydrophobicContact CD1-CD1 4.09Å; I47-F56 HydrophobicContact CD1-CE1 3.87Å; I47-F56 HydrophobicContact CD1-CZ 4.21Å; I47-F56 HydrophobicContact CG1-CD1 4.18Å; I47-F56 HydrophobicContact CG1-CD2 4.15Å; I47-F56 HydrophobicContact CG1-CE1 4.02Å; I47-F56 HydrophobicContact CG1-CE2 4.01Å; I47-F56 HydrophobicContact CG1-CG 4.24Å; I47-F56 HydrophobicContact CG1-CZ 3.92Å; I47-F56 HydrophobicContact CG2-CB 3.65Å; I47-F56 HydrophobicContact CG2-CD1 4.06Å; I47-F56 HydrophobicContact CG2-CD2 3.95Å; I47-F56 HydrophobicContact CG2-CG 3.62Å; I47-L318 HydrophobicContact CG1-CD1 4.08Å; I47-M325 HydrophobicContact CD1-SD 4.47Å; I47-L381 HydrophobicContact CD1-CD1 4.48Å; I47-L381 HydrophobicContact CD1-CD2 4.18Å
48N97.6Very high97.3Very high86 Ų8646.6 Ų46.646%0.4623%0.234SC..Hα-helixtrans-66.9-38.5179.7-73.4-31000113.5M44 K45 W46 V50M44-N48 WeakPolarHBondContact O-CB 3.32Å; M44-N48 VanDerWaalsContact O-CG 3.24Å; M44-N48 PolarHBondContact O-N 2.91Å; M44-N48 PolarHBondContact O-ND2 3.06Å; M44-N48 VanDerWaalsContact O-ND2 3.13Å; K45-N48 PolarHBondContact O-N 3.14Å; W46-N48 VanDerWaalsContact C-N 3.34Å; W46-N48 PolarHBondContact O-N 3Å; N48-V50 PolarHBondContact O-N 3.01Å
49D97.5Very high97.3Very high109 Ų10944.9 Ų44.958%0.58323%0.228SC*.Hα-helixtrans-67.2-23.1176.5-70.1-19.2000112.3K45 W46K45-D49 IonicContact NZ-OD1 3.28Å; K45-D49 IonicContact NZ-OD2 2.7Å; K45-D49 PolarHBondContact NZ-OD2 3.01Å; K45-D49 WeakPolarHBondContact O-CB 3.43Å; K45-D49 VanDerWaalsContact O-CG 3.27Å; K45-D49 PolarHBondContact O-N 2.81Å; W46-D49 PolarHBondContact O-N 3.42Å
50V94.6Very high97.3Very high71 Ų7144.9 Ų44.943%0.4323%0.226SC..Hα-helixtrans-87.1-57179.2172.30000111.8W46 I47 N48 L318W46-V50 WeakPolarHBondContact O-CG2 3.36Å; W46-V50 PolarHBondContact O-N 3.27Å; I47-V50 PolarHBondContact O-N 3.29Å; N48-V50 PolarHBondContact O-N 3.01Å; V50-L318 HydrophobicContact CG1-CD2 4.49Å; V50-L318 HydrophobicContact CG2-CD2 3.86Å
51C95.7Very high97.3Very high31 Ų3149.9 Ų49.921%0.20925%0.248CC..THydrogen-bonded Turntrans-156.6-3.7-176.660.80000115I47 E55I47-C51 PolarHBondContact O-N 3.37Å; C51-E55 HydrophobicContact CB-CB 4.03Å; C51-E55 HydrophobicContact CB-CG 4.11Å; C51-E55 WeakPolarHBondContact CB-OE1 3.46Å
52G97.1Very high97.3Very high17 Ų1750.5 Ų50.518%0.17525%0.249CC..Hα-helixtrans82153.1-171.900000113I47 E54 E55 F56I47-G52 PolarHBondContact O-N 2.71Å; G52-E54 VanDerWaalsContact C-N 3.26Å; G52-E54 PolarHBondContact O-N 3.01Å; G52-E55 PolarHBondContact O-N 3.2Å; G52-F56 WeakPolarHBondContact O-CB 3.21Å; G52-F56 PolarHBondContact O-N 3.46Å
53L96.3Very high97.3Very high22 Ų2248.9 Ų48.912%0.11524%0.241CC..Hα-helixtrans-58.8-35.9-175.5-171.466000113.4M44 I47 F56 T57 M325 F385M44-L53 HydrophobicContact CE-CD2 4.19Å; M44-L53 HydrophobicContact SD-CD1 4.36Å; I47-L53 HydrophobicContact CG2-CB 4.45Å; I47-L53 HydrophobicContact CG2-CD1 4.31Å; L53-F56 PolarHBondContact O-N 3.12Å; L53-T57 HydrophobicContact CD1-CG2 4.23Å; L53-T57 HydrophobicContact CG-CG2 4.49Å; L53-T57 WeakPolarHBondContact O-CG2 3.16Å; L53-T57 PolarHBondContact O-N 2.88Å; L53-T57 VanDerWaalsContact O-N 3.08Å; L53-T57 PolarHBondContact O-OG1 3.12Å; L53-M325 HydrophobicContact CD1-CE 3.67Å; L53-F385 HydrophobicContact CD1-CB 4.26Å; L53-F385 HydrophobicContact CD2-CB 4.01Å; L53-F385 HydrophobicContact CD2-CD2 4.26Å; L53-F385 HydrophobicContact CG-CB 4.4Å; L53-F385 HydrophobicContact CG-CD2 4.22Å
54E97Very high97.4Very high91 Ų9148 Ų4843%0.42524%0.237SC..Hα-helixtrans-64.2-52.5-178.3-178.858.6-156.900111.8G52 F56 T57 Q58 R329 K389G52-E54 VanDerWaalsContact C-N 3.26Å; G52-E54 PolarHBondContact O-N 3.01Å; E54-F56 VanDerWaalsContact C-N 3.34Å; E54-T57 PolarHBondContact O-OG1 3.4Å; E54-T57 VanDerWaalsContact O-OG1 3.14Å; E54-Q58 PolarHBondContact O-NE2 2.79Å; E54-Q58 PolarHBondContact OE1-NE2 3.42Å; E54-Q58 VanDerWaalsContact OE1-NE2 3.17Å; E54-R329 PolarHBondContact O-NH1 3.37Å; E54-R329 IonicContact OE1-CZ 2.78Å; E54-R329 VanDerWaalsContact OE1-CZ 3.29Å; E54-R329 IonicContact OE1-NH1 2.74Å; E54-R329 PolarHBondContact OE1-NH1 3.06Å; E54-R329 IonicContact OE1-NH2 3.39Å; E54-R329 PolarHBondContact OE1-NH2 3.34Å; E54-R329 IonicContact OE2-NH1 3.6Å; E54-R329 PolarHBondContact OE2-NH1 2.83Å; E54-K389 IonicContact OE1-NZ 2.95Å; E54-K389 PolarHBondContact OE1-NZ 2.86Å; E54-K389 IonicContact OE2-NZ 2.85Å; E54-K389 PolarHBondContact OE2-NZ 3.39Å
55E97.9Very high97.4Very high105 Ų10547.8 Ų47.849%0.49124%0.236SC..Hα-helixtrans-69.7-36.2176.4-170.3-178.5133.200111C51 G52 T57 Q58C51-E55 HydrophobicContact CB-CB 4.03Å; C51-E55 HydrophobicContact CB-CG 4.11Å; C51-E55 WeakPolarHBondContact CB-OE1 3.46Å; G52-E55 PolarHBondContact O-N 3.2Å; E55-T57 VanDerWaalsContact C-N 3.31Å; E55-T57 PolarHBondContact O-N 3.02Å; E55-Q58 PolarHBondContact O-N 2.68Å
56F98.3Very high97.4Very high0 Ų044.8 Ų44.80%022%0.224CC..Hα-helixtrans-58.2-42.8-179-171-97000112.9I47 G52 L53 E54 Q58 L318 L321 R322 M325 S326I47-F56 HydrophobicContact CB-CD2 4.48Å; I47-F56 HydrophobicContact CD1-CD1 4.09Å; I47-F56 HydrophobicContact CD1-CE1 3.87Å; I47-F56 HydrophobicContact CD1-CZ 4.21Å; I47-F56 HydrophobicContact CG1-CD1 4.18Å; I47-F56 HydrophobicContact CG1-CD2 4.15Å; I47-F56 HydrophobicContact CG1-CE1 4.02Å; I47-F56 HydrophobicContact CG1-CE2 4.01Å; I47-F56 HydrophobicContact CG1-CG 4.24Å; I47-F56 HydrophobicContact CG1-CZ 3.92Å; I47-F56 HydrophobicContact CG2-CB 3.65Å; I47-F56 HydrophobicContact CG2-CD1 4.06Å; I47-F56 HydrophobicContact CG2-CD2 3.95Å; I47-F56 HydrophobicContact CG2-CG 3.62Å; G52-F56 WeakPolarHBondContact O-CB 3.21Å; G52-F56 PolarHBondContact O-N 3.46Å; L53-F56 PolarHBondContact O-N 3.12Å; E54-F56 VanDerWaalsContact C-N 3.34Å; F56-Q58 PolarHBondContact O-N 2.79Å; F56-L318 HydrophobicContact CE2-CD1 3.58Å; F56-L318 HydrophobicContact CE2-CD2 4.39Å; F56-L318 HydrophobicContact CE2-CG 3.77Å; F56-L318 HydrophobicContact CZ-CD1 3.74Å; F56-L318 HydrophobicContact CZ-CG 4.15Å; F56-L318 WeakPolarHBondContact CZ-O 3.33Å; F56-L321 HydrophobicContact CE1-CB 4.25Å; F56-L321 HydrophobicContact CZ-CB 4.04Å; F56-R322 HydrophobicContact CD2-CB 4.49Å; F56-R322 HydrophobicContact CD2-CG 4.38Å; F56-R322 VanDerWaalsContact CE1-CA 3.48Å; F56-R322 HydrophobicContact CE1-CB 4.04Å; F56-R322 HydrophobicContact CE2-CB 3.87Å; F56-R322 HydrophobicContact CE2-CG 4.24Å; F56-R322 HydrophobicContact CZ-CB 3.63Å; F56-R322 HydrophobicContact CZ-CG 4.32Å; F56-R322 VanDerWaalsContact CZ-N 3.34Å; F56-R322 WeakPolarHBondContact O-CG 3.48Å; F56-M325 HydrophobicContact CD1-SD 4.13Å; F56-M325 HydrophobicContact CE1-SD 3.78Å; F56-S326 PolarHBondContact O-OG 2.85Å
57T98.4Very high97.4Very high0 Ų041.8 Ų41.80%022%0.217CC..THydrogen-bonded Turntrans-76.9-3.5179.255.70000113.6L53 E54 E55 M325 S326 R329 F385L53-T57 HydrophobicContact CD1-CG2 4.23Å; L53-T57 HydrophobicContact CG-CG2 4.49Å; L53-T57 WeakPolarHBondContact O-CG2 3.16Å; L53-T57 PolarHBondContact O-N 2.88Å; L53-T57 VanDerWaalsContact O-N 3.08Å; L53-T57 PolarHBondContact O-OG1 3.12Å; E54-T57 PolarHBondContact O-OG1 3.4Å; E54-T57 VanDerWaalsContact O-OG1 3.14Å; E55-T57 VanDerWaalsContact C-N 3.31Å; E55-T57 PolarHBondContact O-N 3.02Å; T57-M325 HydrophobicContact CG2-CB 4.06Å; T57-M325 HydrophobicContact CG2-CE 3.97Å; T57-S326 VanDerWaalsContact O-CA 3.29Å; T57-S326 WeakPolarHBondContact O-CA 3.26Å; T57-S326 PolarHBondContact O-OG 3.35Å; T57-R329 WeakPolarHBondContact O-CB 3.4Å; T57-R329 WeakPolarHBondContact O-CD 3.43Å; T57-R329 PolarHBondContact OG1-NH1 2.92Å; T57-F385 HydrophobicContact CG2-CD1 3.97Å; T57-F385 HydrophobicContact CG2-CD2 3.52Å; T57-F385 HydrophobicContact CG2-CE1 3.93Å; T57-F385 HydrophobicContact CG2-CE2 3.46Å; T57-F385 VanDerWaalsContact CG2-CE2 3.46Å; T57-F385 HydrophobicContact CG2-CG 3.77Å; T57-F385 HydrophobicContact CG2-CZ 3.69Å; T57-F385 WeakPolarHBondContact OG1-CE2 3.32Å
58Q98.3Very high97.3Very high37 Ų3747.2 Ų47.217%0.17324%0.237CC..THydrogen-bonded Turntrans-104.825.3178-69.7174.288.200112.5E54 E55 F56 Y60 K61 R329E54-Q58 PolarHBondContact O-NE2 2.79Å; E54-Q58 PolarHBondContact OE1-NE2 3.42Å; E54-Q58 VanDerWaalsContact OE1-NE2 3.17Å; E55-Q58 PolarHBondContact O-N 2.68Å; F56-Q58 PolarHBondContact O-N 2.79Å; Q58-Y60 PolarHBondContact O-N 3.35Å; Q58-K61 HydrophobicContact CB-CD 4.14Å; Q58-K61 HydrophobicContact CB-CG 4.31Å; Q58-K61 HydrophobicContact CG-CD 4.36Å; Q58-K61 WeakPolarHBondContact O-CB 3.3Å; Q58-K61 PolarHBondContact O-N 3.45Å; Q58-R329 VanDerWaalsContact CG-NH1 3.31Å
59G98.2Very high97.1Very high3 Ų351.7 Ų51.73%0.03126%0.261CS..G310 helixtrans-52.5-33.7179.700000113K61 E62 F63 S326G59-K61 PolarHBondContact O-N 2.87Å; G59-K61 VanDerWaalsContact O-N 3.12Å; G59-E62 PolarHBondContact O-N 2.93Å; G59-F63 WeakPolarHBondContact O-CD2 3.38Å; G59-F63 PolarHBondContact O-N 3.36Å; G59-S326 WeakPolarHBondContact CA-OG 3.28Å; G59-S326 PolarHBondContact N-OG 2.99Å
60Y98.1Very high97Very high9 Ų951 Ų514%0.03526%0.258CS..G310 helixtrans-62.7-17.1177.365.2-95.1000114.5Q58 E62 H66 W146 F243 R329 W330 E333Q58-Y60 PolarHBondContact O-N 3.35Å; Y60-E62 VanDerWaalsContact C-N 3.34Å; Y60-H66 PolarHBondContact O-CE1 3.3Å; Y60-H66 PolarHBondContact O-NE2 3.46Å; Y60-H66 VanDerWaalsContact O-NE2 3.11Å; Y60-W146 VanDerWaalsContact N-CZ3 3.27Å; Y60-F243 HydrophobicContact CD1-CE1 4.43Å; Y60-F243 HydrophobicContact CG-CE1 4.4Å; Y60-R329 HydrophobicContact CE1-CB 4.1Å; Y60-R329 HydrophobicContact CE1-CG 3.96Å; Y60-W330 HydrophobicContact CD1-CB 4.25Å; Y60-W330 HydrophobicContact CD1-CE3 4.38Å; Y60-W330 AromaticContact CD2-CE3 3.33Å; Y60-W330 HydrophobicContact CD2-CE3 3.33Å; Y60-W330 AromaticContact CD2-CZ3 3.65Å; Y60-W330 HydrophobicContact CD2-CZ3 3.65Å; Y60-W330 AromaticContact CE2-CE3 3.79Å; Y60-W330 HydrophobicContact CE2-CE3 3.79Å; Y60-W330 HydrophobicContact CE2-CZ3 4.18Å; Y60-W330 AromaticContact CG-CE3 3.66Å; Y60-W330 HydrophobicContact CG-CE3 3.66Å; Y60-W330 HydrophobicContact CG-CZ3 4.3Å; Y60-E333 PolarHBondContact OH-OE2 3.47Å
61K97.4Very high97Very high108 Ų10847.7 Ų47.747%0.4724%0.239SC..G310 helixtrans-79.5-20.6174.8-62.4-171178.9175.90112.5Q58 G59 E333Q58-K61 HydrophobicContact CB-CD 4.14Å; Q58-K61 HydrophobicContact CB-CG 4.31Å; Q58-K61 HydrophobicContact CG-CD 4.36Å; Q58-K61 WeakPolarHBondContact O-CB 3.3Å; Q58-K61 PolarHBondContact O-N 3.45Å; G59-K61 PolarHBondContact O-N 2.87Å; G59-K61 VanDerWaalsContact O-N 3.12Å; K61-E333 IonicContact NZ-OE2 3.18Å
62E96.4Very high97.1Very high77 Ų7746.6 Ų46.636%0.3623%0.231SC..THydrogen-bonded Turntrans-106.8-47.3178.7-61.4-164.6168.400112.5G59 Y60 Y74 K76G59-E62 PolarHBondContact O-N 2.93Å; Y60-E62 VanDerWaalsContact C-N 3.34Å; E62-Y74 WeakPolarHBondContact O-CE1 3.43Å; E62-K76 HydrophobicContact CB-CD 4.08Å; E62-K76 VanDerWaalsContact O-CB 3.29Å; E62-K76 WeakPolarHBondContact O-CB 3.48Å; E62-K76 IonicContact OE2-NZ 3.48Å; E62-K76 PolarHBondContact OE2-NZ 2.9Å
63F98.4Very high97.2Very high2 Ų245.8 Ų45.81%0.00922%0.223CC..SBendtrans-83.2147.3-177.4-69.4-86.8000111.6G59 H66 K76 W78 K108 W146G59-F63 WeakPolarHBondContact O-CD2 3.38Å; G59-F63 PolarHBondContact O-N 3.36Å; F63-H66 PolarHBondContact O-NE2 2.75Å; F63-K76 CarbonylContact C-O 3.58Å; F63-K76 WeakPolarHBondContact CA-O 3.35Å; F63-K76 HydrophobicContact CD1-CB 4.49Å; F63-K76 HydrophobicContact CD1-CD 4.22Å; F63-K76 HydrophobicContact CD1-CG 3.88Å; F63-K76 HydrophobicContact CE1-CD 4.22Å; F63-K76 HydrophobicContact CE1-CG 4.02Å; F63-K76 HydrophobicContact CG-CD 4.47Å; F63-K76 HydrophobicContact CG-CG 4.48Å; F63-K76 HydrophobicContact CZ-CD 4.47Å; F63-W78 HydrophobicContact CE1-CB 3.92Å; F63-K108 HydrophobicContact CE1-CG 4.41Å; F63-K108 HydrophobicContact CZ-CD 4.24Å; F63-K108 HydrophobicContact CZ-CG 4.46Å; F63-W146 HydrophobicContact CB-CD2 3.52Å; F63-W146 HydrophobicContact CB-CE3 4.18Å; F63-W146 HydrophobicContact CB-CG 3.71Å; F63-W146 HydrophobicContact CB-CH2 4.36Å; F63-W146 HydrophobicContact CB-CZ2 3.77Å; F63-W146 HydrophobicContact CD2-CH2 4.34Å; F63-W146 AromaticContact CD2-CZ2 3.97Å; F63-W146 HydrophobicContact CD2-CZ2 3.97Å; F63-W146 AromaticContact CG-CE2 3.84Å; F63-W146 AromaticContact CG-CZ2 3.87Å; F63-W146 HydrophobicContact CG-CZ2 3.87Å; F63-W146 AromaticContact CG-NE1 3.94Å
64G98.1Very high97.3Very high1 Ų146 Ų461%0.0122%0.222CC..EExtended strand (participates in β ladder)trans99-159.2-170.300000112.6C75 K76 S144G64-C75 CarbonylContact O-C 3.54Å; G64-C75 VanDerWaalsContact O-CA 3.24Å; G64-C75 WeakPolarHBondContact O-CA 3.41Å; G64-K76 PolarHBondContact N-O 2.91Å; G64-K76 PolarHBondContact O-N 3.16Å; G64-S144 WeakPolarHBondContact CA-OG 3.49Å
65V98Very high97.4Very high16 Ų1641.6 Ų41.610%0.09720%0.202CC..EExtended strand (participates in β ladder)trans-117.5111.6-175.8-1790000109I73 C75 I128 L163V65-I73 HydrophobicContact CG1-CG2 3.69Å; V65-C75 HydrophobicContact CG2-CB 4.35Å; V65-I128 HydrophobicContact CB-CD1 4.2Å; V65-I128 HydrophobicContact CG1-CD1 4.03Å; V65-I128 HydrophobicContact CG2-CD1 4.1Å; V65-L163 HydrophobicContact CG1-CD1 3.74Å
66H97Very high97.4Very high54 Ų5437.5 Ų37.525%0.2518%0.182CC..EExtended strand (participates in β ladder)trans-119.3128.8-169.9-65.2-69.6000111.5Y60 F63 I73 Y74Y60-H66 PolarHBondContact O-CE1 3.3Å; Y60-H66 PolarHBondContact O-NE2 3.46Å; Y60-H66 VanDerWaalsContact O-NE2 3.11Å; F63-H66 PolarHBondContact O-NE2 2.75Å; H66-I73 CarbonylContact O-C 3.58Å; H66-I73 WeakPolarHBondContact O-CA 3.34Å; H66-Y74 PolarHBondContact N-O 3.42Å; H66-Y74 PolarHBondContact O-N 3.36Å
67V97.1Very high97.4Very high39 Ų3937.5 Ų37.524%0.23618%0.182CC..EExtended strand (participates in β ladder)trans-84.9122.5166.5-176.70000108.1I73 P120 L163 N165V67-I73 HydrophobicContact CG2-CG1 4.33Å; V67-P120 HydrophobicContact CG1-CB 3.86Å; V67-P120 HydrophobicContact CG1-CG 4.06Å; V67-P120 HydrophobicContact CG2-CB 4.36Å; V67-L163 HydrophobicContact CG2-CD1 4.3Å; V67-L163 HydrophobicContact CG2-CD2 4.11Å; V67-N165 HydrophobicContact CG2-CB 3.96Å
68R95.9Very high97.4Very high113 Ų11338.2 Ų38.243%0.42619%0.185SC..  trans-88165.2177.3-66.7-175.8172.71751.1111.4D70 G71 S72R68-D70 WeakPolarHBondContact CB-OD1 3.28Å; R68-D70 PolarHBondContact O-N 3.29Å; R68-G71 WeakPolarHBondContact O-CA 3.36Å; R68-G71 PolarHBondContact O-N 3.41Å; R68-S72 PolarHBondContact N-O 3.36Å
69D93.6Very high97.4Very high180 Ų18036.4 Ų36.496%0.96318%0.177SC*.THydrogen-bonded Turntrans-60.7-28-178.2-61.8-24.1000114G71D69-G71 PolarHBondContact O-N 3.47Å
70D95.4Very high97.4Very high94 Ų9439.3 Ų39.350%0.50320%0.195SC..THydrogen-bonded Turntrans-81.14.7174.769.7-9.1000113.4R68 S72 S115R68-D70 WeakPolarHBondContact CB-OD1 3.28Å; R68-D70 PolarHBondContact O-N 3.29Å; D70-S72 PolarHBondContact O-N 3.44Å; D70-S72 WeakPolarHBondContact OD1-CB 3.45Å; D70-S72 PolarHBondContact OD1-N 2.87Å; D70-S72 PolarHBondContact OD1-OG 2.94Å; D70-S72 PolarHBondContact OD2-OG 2.89Å; D70-S115 WeakPolarHBondContact O-CB 3.1Å; D70-S115 PolarHBondContact O-OG 2.92Å
71G95.4Very high97.3Very high3 Ų339.5 Ų39.53%0.03120%0.2CC..SBendtrans78.9-3.4-175.800000114R68 D69 S115 P120R68-G71 WeakPolarHBondContact O-CA 3.36Å; R68-G71 PolarHBondContact O-N 3.41Å; D69-G71 PolarHBondContact O-N 3.47Å; G71-S115 WeakPolarHBondContact O-CB 3.48Å; G71-P120 WeakPolarHBondContact O-CA 3.49Å
72S97.7Very high97.4Very high7 Ų734.6 Ų34.65%0.04918%0.179CC..  trans-69.6152.217867.20000110.4R68 D70 I113R68-S72 PolarHBondContact N-O 3.36Å; D70-S72 PolarHBondContact O-N 3.44Å; D70-S72 WeakPolarHBondContact OD1-CB 3.45Å; D70-S72 PolarHBondContact OD1-N 2.87Å; D70-S72 PolarHBondContact OD1-OG 2.94Å; D70-S72 PolarHBondContact OD2-OG 2.89Å; S72-I113 WeakPolarHBondContact CA-O 3.24Å
73I98.1Very high97.4Very high0 Ų035.7 Ų35.70%018%0.182CC..EExtended strand (participates in β ladder)trans-107.4118.4177.5-55.8178000108.2V65 H66 V67 T112 I113 P120 V121 I122 L163V65-I73 HydrophobicContact CG1-CG2 3.69Å; H66-I73 CarbonylContact O-C 3.58Å; H66-I73 WeakPolarHBondContact O-CA 3.34Å; V67-I73 HydrophobicContact CG2-CG1 4.33Å; I73-T112 CarbonylContact O-C 3.56Å; I73-T112 WeakPolarHBondContact O-CA 3.3Å; I73-I113 HydrophobicContact CB-CB 4.25Å; I73-I113 PolarHBondContact N-O 2.95Å; I73-I113 PolarHBondContact O-N 3.32Å; I73-P120 HydrophobicContact CD1-CB 4.25Å; I73-P120 HydrophobicContact CG1-CB 4.32Å; I73-V121 HydrophobicContact CD1-CG2 4.25Å; I73-I122 HydrophobicContact CD1-CB 3.61Å; I73-I122 HydrophobicContact CD1-CD1 3.7Å; I73-I122 HydrophobicContact CD1-CG1 3.53Å; I73-L163 HydrophobicContact CD1-CD2 4.26Å
74Y98.2Very high97.4Very high26 Ų2638.7 Ų38.710%0.10220%0.196CC..EExtended strand (participates in β ladder)trans-104126.8175.8178.7-106.4000110E62 H66 K76 E110E62-Y74 WeakPolarHBondContact O-CE1 3.43Å; H66-Y74 PolarHBondContact N-O 3.42Å; H66-Y74 PolarHBondContact O-N 3.36Å; Y74-K76 HydrophobicContact CE1-CB 3.88Å; Y74-K76 HydrophobicContact CE1-CD 4.4Å; Y74-E110 HydrophobicContact CE2-CB 4.41Å; Y74-E110 HydrophobicContact CE2-CG 4.37Å; Y74-E110 WeakPolarHBondContact OH-CG 3.41Å; Y74-E110 PolarHBondContact OH-OE1 3.46Å
75C98.5Very high97.5Very high0 Ų038.7 Ų38.70%020%0.196CC..EExtended strand (participates in β ladder)trans-119.7135.4177.4-48.10000109.5G64 V65 F101 E110 L111G64-C75 CarbonylContact O-C 3.54Å; G64-C75 VanDerWaalsContact O-CA 3.24Å; G64-C75 WeakPolarHBondContact O-CA 3.41Å; V65-C75 HydrophobicContact CG2-CB 4.35Å; C75-F101 HydrophobicContact CB-CE1 3.41Å; C75-F101 VanDerWaalsContact CB-CE1 3.41Å; C75-F101 HydrophobicContact CB-CZ 3.46Å; C75-F101 VanDerWaalsContact CB-CZ 3.46Å; C75-E110 CarbonylContact O-C 3.51Å; C75-E110 VanDerWaalsContact O-CA 3.31Å; C75-E110 WeakPolarHBondContact O-CA 3.46Å; C75-L111 HydrophobicContact CB-CB 4.2Å; C75-L111 PolarHBondContact N-O 2.59Å; C75-L111 PolarHBondContact O-N 2.96Å
76K98.6Very high97.5Very high19 Ų1939.3 Ų39.38%0.08320%0.197CC..EExtended strand (participates in β ladder)trans-141.9133.6173.3-175.8-178.3-168.1165.50111E62 F63 G64 Y74 W109 E110E62-K76 HydrophobicContact CB-CD 4.08Å; E62-K76 VanDerWaalsContact O-CB 3.29Å; E62-K76 WeakPolarHBondContact O-CB 3.48Å; E62-K76 IonicContact OE2-NZ 3.48Å; E62-K76 PolarHBondContact OE2-NZ 2.9Å; F63-K76 CarbonylContact C-O 3.58Å; F63-K76 WeakPolarHBondContact CA-O 3.35Å; F63-K76 HydrophobicContact CD1-CB 4.49Å; F63-K76 HydrophobicContact CD1-CD 4.22Å; F63-K76 HydrophobicContact CD1-CG 3.88Å; F63-K76 HydrophobicContact CE1-CD 4.22Å; F63-K76 HydrophobicContact CE1-CG 4.02Å; F63-K76 HydrophobicContact CG-CD 4.47Å; F63-K76 HydrophobicContact CG-CG 4.48Å; F63-K76 HydrophobicContact CZ-CD 4.47Å; G64-K76 PolarHBondContact N-O 2.91Å; G64-K76 PolarHBondContact O-N 3.16Å; Y74-K76 HydrophobicContact CE1-CB 3.88Å; Y74-K76 HydrophobicContact CE1-CD 4.4Å; K76-W109 CarbonylContact C-O 3.02Å; K76-W109 VanDerWaalsContact CA-O 3.25Å; K76-W109 WeakPolarHBondContact CA-O 3.21Å; K76-E110 HydrophobicContact CB-CG 4.18Å; K76-E110 HydrophobicContact CD-CG 4.28Å; K76-E110 VanDerWaalsContact CE-OE1 3.25Å; K76-E110 WeakPolarHBondContact CE-OE1 3.34Å; K76-E110 HydrophobicContact CG-CG 3.82Å; K76-E110 IonicContact NZ-OE1 2.72Å; K76-E110 PolarHBondContact NZ-OE1 3.33Å
77E98.5Very high97.6Very high0 Ų036.8 Ų36.80%019%0.186CC..EExtended strand (participates in β ladder)trans-137.9151.5-179.4-62.9-62.5172.800111.5M85 F101 K108 W109 L130 S144 P145E77-M85 HydrophobicContact CB-CE 3.76Å; E77-M85 HydrophobicContact CB-SD 4.42Å; E77-M85 HydrophobicContact CG-CE 4.02Å; E77-F101 HydrophobicContact CG-CE1 4.35Å; E77-K108 WeakPolarHBondContact O-CA 3.09Å; E77-W109 PolarHBondContact N-O 3.17Å; E77-W109 PolarHBondContact O-N 2.91Å; E77-L130 HydrophobicContact CG-CD1 3.76Å; E77-L130 HydrophobicContact CG-CD2 4.23Å; E77-S144 WeakPolarHBondContact OE1-CB 3.47Å; E77-S144 PolarHBondContact OE1-OG 3.1Å; E77-P145 WeakPolarHBondContact OE2-CD 3.17Å
78W98.4Very high97.6Very high14 Ų1436.4 Ų36.45%0.05318%0.18CC..EExtended strand (participates in β ladder)trans-104.7112.4169.3179.564.7000109.5F63 P80 F289 C295 Y296 E317 E319 V320F63-W78 HydrophobicContact CE1-CB 3.92Å; W78-P80 HydrophobicContact CH2-CG 4.45Å; W78-P80 HydrophobicContact CZ2-CG 3.8Å; W78-F289 WeakPolarHBondContact O-CE1 3.23Å; W78-C295 WeakPolarHBondContact CH2-O 3.06Å; W78-C295 WeakPolarHBondContact CZ3-O 3.32Å; W78-Y296 AromaticContact CE3-CE1 3.98Å; W78-Y296 HydrophobicContact CE3-CE1 3.98Å; W78-Y296 HydrophobicContact CE3-CE2 4.32Å; W78-Y296 AromaticContact CE3-CZ 3.85Å; W78-Y296 HydrophobicContact CZ3-CD1 4.19Å; W78-Y296 HydrophobicContact CZ3-CE1 4.11Å; W78-Y296 HydrophobicContact CZ3-CG 4.46Å; W78-E317 HydrophobicContact CH2-CB 4.28Å; W78-E319 HydrophobicContact CD2-CB 3.48Å; W78-E319 VanDerWaalsContact CD2-CB 3.48Å; W78-E319 HydrophobicContact CD2-CG 4Å; W78-E319 HydrophobicContact CE3-CB 3.72Å; W78-E319 HydrophobicContact CG-CB 3.93Å; W78-E319 HydrophobicContact CG-CG 4.04Å; W78-E319 HydrophobicContact CH2-CB 4.14Å; W78-E319 HydrophobicContact CZ2-CB 3.93Å; W78-E319 HydrophobicContact CZ2-CG 4.38Å; W78-E319 HydrophobicContact CZ3-CB 4.04Å; W78-V320 HydrophobicContact CH2-CG2 4.05Å; W78-V320 HydrophobicContact CZ3-CG2 3.85Å
79A98.3Very high97.7Very high0 Ų031 Ų310%016%0.159CC..  trans-146.775.2-177.700000109.1G81 A82 M85 G107 W109 F289 D290A79-G81 VanDerWaalsContact C-N 3.3Å; A79-G81 PolarHBondContact O-N 2.82Å; A79-A82 HydrophobicContact CB-CB 3.81Å; A79-A82 WeakPolarHBondContact O-CB 3.35Å; A79-A82 PolarHBondContact O-N 3.08Å; A79-M85 HydrophobicContact CB-CE 4.36Å; A79-M85 HydrophobicContact CB-SD 3.55Å; A79-M85 VanDerWaalsContact CB-SD 3.55Å; A79-G107 CarbonylContact C-O 3.55Å; A79-G107 PolarHBondContact N-O 3.45Å; A79-W109 PolarHBondContact O-NE1 2.93Å; A79-F289 HydrophobicContact CB-CD1 4.29Å; A79-F289 HydrophobicContact CB-CE1 3.86Å; A79-D290 HydrophobicContact CB-CB 3.78Å
80P97.7Very high97.9Very high64 Ų6425.7 Ų25.742%0.41613%0.131SC..THydrogen-bonded Turntrans-64.7-30.8-171.325.9-34.4000113.8W78 D290W78-P80 HydrophobicContact CH2-CG 4.45Å; W78-P80 HydrophobicContact CZ2-CG 3.8Å; P80-D290 WeakPolarHBondContact CD-OD2 3.16Å
81G97.3Very high97.9Very high13 Ų1323.7 Ų23.713%0.13412%0.118CC..THydrogen-bonded Turntrans-83.8-8.2176.900000115A79 Q135 D290A79-G81 VanDerWaalsContact C-N 3.3Å; A79-G81 PolarHBondContact O-N 2.82Å; G81-Q135 WeakPolarHBondContact O-CG 3.48Å; G81-Q135 PolarHBondContact O-NE2 3.29Å; G81-D290 CarbonylContact C-O 3.57Å; G81-D290 VanDerWaalsContact CA-OD2 3.26Å; G81-D290 WeakPolarHBondContact CA-OD2 3.39Å; G81-D290 PolarHBondContact N-OD2 3.24Å
82A98.2Very high98Very high4 Ų424.2 Ų24.23%0.03312%0.12CC..EExtended strand (participates in β ladder)trans-69.2144-179.900000111.4A79 M85 W109 V132 Q135A79-A82 HydrophobicContact CB-CB 3.81Å; A79-A82 WeakPolarHBondContact O-CB 3.35Å; A79-A82 PolarHBondContact O-N 3.08Å; A82-M85 HydrophobicContact CB-CG 4Å; A82-M85 HydrophobicContact CB-SD 4.36Å; A82-W109 HydrophobicContact CB-CZ2 4.25Å; A82-W109 WeakPolarHBondContact O-CZ2 3.44Å; A82-V132 HydrophobicContact CB-CG1 3.8Å; A82-Q135 PolarHBondContact O-NE2 3.24Å
83K98.1Very high98Very high100 Ų10030.2 Ų30.244%0.43515%0.152SC..EExtended strand (participates in β ladder)trans-88.1-45.3172-173.2-171.9169.4-176.50111.3W109 V133K83-W109 VanDerWaalsContact O-CH2 3.26Å; K83-W109 WeakPolarHBondContact O-CH2 3.41Å; K83-V133 WeakPolarHBondContact CA-O 3.36Å; K83-V133 VanDerWaalsContact CB-O 3.27Å; K83-V133 WeakPolarHBondContact CB-O 3.42Å; K83-V133 PolarHBondContact N-O 3.19Å
84E98.3Very high97.9Very high65 Ų6534 Ų3430%0.30417%0.166SC..EExtended strand (participates in β ladder)trans-145.8154.4176.9-56.7166.7-136.300109.2Y86 V133E84-Y86 HydrophobicContact CB-CE2 3.63Å; E84-Y86 PolarHBondContact OE2-OH 3.3Å; E84-V133 HydrophobicContact CB-CB 3.96Å; E84-V133 HydrophobicContact CB-CG2 4.06Å; E84-V133 PolarHBondContact N-O 3.5Å; E84-V133 PolarHBondContact O-N 3.16Å
85M98.5Very high97.9Very high1 Ų138 Ų381%0.00519%0.185CC..EExtended strand (participates in β ladder)trans-136.8142.3177.8-73.2-171.372.900110.9E77 A79 A82 F101 W109 L130 L131 V132 F289E77-M85 HydrophobicContact CB-CE 3.76Å; E77-M85 HydrophobicContact CB-SD 4.42Å; E77-M85 HydrophobicContact CG-CE 4.02Å; A79-M85 HydrophobicContact CB-CE 4.36Å; A79-M85 HydrophobicContact CB-SD 3.55Å; A79-M85 VanDerWaalsContact CB-SD 3.55Å; A82-M85 HydrophobicContact CB-CG 4Å; A82-M85 HydrophobicContact CB-SD 4.36Å; M85-F101 HydrophobicContact CB-CB 3.94Å; M85-F101 HydrophobicContact CB-CD2 4.1Å; M85-F101 HydrophobicContact CB-CG 4.09Å; M85-F101 PolarHBondContact O-N 3.09Å; M85-W109 HydrophobicContact CB-CD2 4.36Å; M85-W109 HydrophobicContact CB-CE3 4.28Å; M85-W109 HydrophobicContact CG-CD2 4.15Å; M85-W109 HydrophobicContact CG-CE3 4.49Å; M85-W109 HydrophobicContact CG-CG 4.22Å; M85-W109 HydrophobicContact SD-CB 3.78Å; M85-W109 HydrophobicContact SD-CD2 4.03Å; M85-W109 HydrophobicContact SD-CG 3.49Å; M85-L130 HydrophobicContact CE-CD1 4.25Å; M85-L130 HydrophobicContact CE-CD2 4.48Å; M85-L131 CarbonylContact C-O 3.51Å; M85-L131 WeakPolarHBondContact CA-O 3.25Å; M85-V132 HydrophobicContact CE-CG2 4.05Å; M85-V132 HydrophobicContact CG-CG2 4.37Å; M85-F289 HydrophobicContact CE-CZ 4.4Å
86Y98.7Very high97.8Very high29 Ų2941.6 Ų41.611%0.11420%0.202CC..EExtended strand (participates in β ladder)trans-140.5156179.1-55.8-100000111.3E84 F97 H99 P100 L131 V133E84-Y86 HydrophobicContact CB-CE2 3.63Å; E84-Y86 PolarHBondContact OE2-OH 3.3Å; Y86-F97 HydrophobicContact CD1-CB 4.29Å; Y86-F97 HydrophobicContact CD1-CD1 4.35Å; Y86-F97 AromaticContact CD2-CD1 3.83Å; Y86-F97 HydrophobicContact CD2-CD1 3.83Å; Y86-F97 HydrophobicContact CD2-CE1 4.29Å; Y86-F97 HydrophobicContact CE1-CB 3.93Å; Y86-F97 AromaticContact CE1-CD1 3.98Å; Y86-F97 HydrophobicContact CE1-CD1 3.98Å; Y86-F97 HydrophobicContact CE1-CG 4.48Å; Y86-F97 AromaticContact CE2-CD1 3.48Å; Y86-F97 HydrophobicContact CE2-CD1 3.48Å; Y86-F97 VanDerWaalsContact CE2-CD1 3.48Å; Y86-F97 AromaticContact CE2-CE1 3.96Å; Y86-F97 HydrophobicContact CE2-CE1 3.96Å; Y86-F97 HydrophobicContact CG-CD1 4.28Å; Y86-F97 AromaticContact CZ-CD1 3.57Å; Y86-H99 CarbonylContact C-O 3.53Å; Y86-H99 VanDerWaalsContact CA-O 3.23Å; Y86-H99 WeakPolarHBondContact CA-O 3.22Å; Y86-P100 HydrophobicContact CD1-CB 3.73Å; Y86-P100 HydrophobicContact CE1-CB 3.52Å; Y86-P100 HydrophobicContact CE1-CG 4.39Å; Y86-L131 HydrophobicContact CD2-CD2 4.36Å; Y86-L131 PolarHBondContact N-O 3.03Å; Y86-L131 PolarHBondContact O-N 3.23Å; Y86-V133 HydrophobicContact CD2-CG2 4.44Å; Y86-V133 HydrophobicContact CE2-CG2 4.15Å
87L98.5Very high97.8Very high2 Ų244.4 Ų44.41%0.0122%0.215CC..EExtended strand (participates in β ladder)trans-100.3136.9167.3-165.471.8000110F91 H99 F101 L111 I113 I122 I128 L130L87-F91 HydrophobicContact CD2-CE1 4.21Å; L87-F91 HydrophobicContact CD2-CZ 3.94Å; L87-F91 HydrophobicContact CG-CE1 4.24Å; L87-F91 HydrophobicContact CG-CZ 4.05Å; L87-H99 HydrophobicContact CB-CB 4.17Å; L87-H99 PolarHBondContact N-O 3.27Å; L87-F101 HydrophobicContact CB-CE2 3.97Å; L87-L111 HydrophobicContact CB-CD2 3.68Å; L87-L111 HydrophobicContact CD2-CD2 4.38Å; L87-I113 HydrophobicContact CD2-CD1 3.67Å; L87-I122 HydrophobicContact CD2-CD1 3.93Å; L87-I128 HydrophobicContact CD1-CB 4.49Å; L87-L130 HydrophobicContact CD1-CD2 4Å
88R97.9Very high97.7Very high30 Ų3047.2 Ų47.211%0.11323%0.232CC..EExtended strand (participates in β ladder)trans-141.5158.6174.660.3-173.3-98.2110.20.7110.3W94 E96 I128 K129 L131 D141R88-W94 HydrophobicContact CG-CE3 4.47Å; R88-W94 PolarHBondContact NH1-O 3.18Å; R88-E96 VanDerWaalsContact NH1-CG 3.3Å; R88-I128 CarbonylContact O-C 3.56Å; R88-I128 WeakPolarHBondContact O-CA 3.42Å; R88-K129 HydrophobicContact CG-CB 4.22Å; R88-K129 PolarHBondContact N-O 2.75Å; R88-K129 PolarHBondContact O-N 3.14Å; R88-L131 HydrophobicContact CG-CB 4.44Å; R88-D141 IonicContact NE-OD1 3.8Å; R88-D141 PolarHBondContact NE-OD1 2.95Å
89G97.5Very high97.7Very high0 Ų048.7 Ų48.70%024%0.239CC..EExtended strand (participates in β ladder)trans170.8-163.4178.700000112.8F91 N92 W94 K127G89-F91 PolarHBondContact O-N 2.89Å; G89-N92 PolarHBondContact N-OD1 2.88Å; G89-N92 PolarHBondContact O-N 3.24Å; G89-N92 PolarHBondContact O-OD1 2.95Å; G89-W94 PolarHBondContact O-N 3.05Å; G89-K127 WeakPolarHBondContact CA-O 3.3Å
90D97.3Very high97.7Very high69 Ų6952.1 Ų52.137%0.36926%0.261SS..G310 helixtrans-59.9-32.1-179.7-63.7-30.7000112.2N92 D93 W94 K127D90-N92 PolarHBondContact O-N 2.52Å; D90-D93 PolarHBondContact O-N 2.83Å; D90-W94 WeakPolarHBondContact OD1-CZ2 3.44Å; D90-W94 PolarHBondContact OD1-NE1 3Å; D90-K127 PolarHBondContact N-O 3.17Å; D90-K127 WeakPolarHBondContact OD2-CB 3.36Å; D90-K127 PolarHBondContact OD2-N 3.03Å
91F96.8Very high97.7Very high52 Ų5249.6 Ų49.623%0.22824%0.244CC..G310 helixtrans-68-17.4-176.772.9-84.3000114.8L87 G89 H99 I113 I122 I128L87-F91 HydrophobicContact CD2-CE1 4.21Å; L87-F91 HydrophobicContact CD2-CZ 3.94Å; L87-F91 HydrophobicContact CG-CE1 4.24Å; L87-F91 HydrophobicContact CG-CZ 4.05Å; G89-F91 PolarHBondContact O-N 2.89Å; F91-H99 AromaticContact CE2-CD2 3.97Å; F91-H99 AromaticContact CE2-CE1 3.51Å; F91-H99 AromaticContact CE2-ND1 3.83Å; F91-H99 AromaticContact CE2-NE2 3.59Å; F91-I113 HydrophobicContact CE2-CD1 4.38Å; F91-I122 HydrophobicContact CB-CB 4.38Å; F91-I122 HydrophobicContact CB-CG1 3.85Å; F91-I122 HydrophobicContact CB-CG2 4.26Å; F91-I122 HydrophobicContact CD1-CD1 3.59Å; F91-I122 HydrophobicContact CD1-CG1 3.76Å; F91-I122 HydrophobicContact CD1-CG2 4.19Å; F91-I122 HydrophobicContact CD2-CD1 4.06Å; F91-I122 HydrophobicContact CD2-CG1 3.84Å; F91-I122 HydrophobicContact CE1-CD1 3.59Å; F91-I122 HydrophobicContact CE1-CG1 4.25Å; F91-I122 HydrophobicContact CE2-CD1 4.04Å; F91-I122 HydrophobicContact CE2-CG1 4.3Å; F91-I122 HydrophobicContact CG-CB 4.49Å; F91-I122 HydrophobicContact CG-CD1 3.85Å; F91-I122 HydrophobicContact CG-CG1 3.54Å; F91-I122 HydrophobicContact CG-CG2 4.43Å; F91-I122 HydrophobicContact CZ-CD1 3.83Å; F91-I128 HydrophobicContact CD1-CG2 4.3Å; F91-I128 HydrophobicContact CE1-CG2 4.21Å
92N96.5Very high97.8Very high13 Ų1356.4 Ų56.47%0.0727%0.27CS..G310 helixtrans-127.825.4-179.676.7-18.2000112.4G89 D90 W94 Q95 T98G89-N92 PolarHBondContact N-OD1 2.88Å; G89-N92 PolarHBondContact O-N 3.24Å; G89-N92 PolarHBondContact O-OD1 2.95Å; D90-N92 PolarHBondContact O-N 2.52Å; N92-W94 PolarHBondContact O-N 3.31Å; N92-W94 VanDerWaalsContact O-N 3.08Å; N92-W94 PolarHBondContact OD1-N 2.95Å; N92-Q95 PolarHBondContact ND2-O 3.1Å; N92-Q95 VanDerWaalsContact ND2-O 3.11Å; N92-Q95 VanDerWaalsContact O-CB 3.32Å; N92-Q95 WeakPolarHBondContact O-CB 3.34Å; N92-Q95 VanDerWaalsContact O-CG 3.24Å; N92-Q95 WeakPolarHBondContact O-CG 3.28Å; N92-Q95 PolarHBondContact O-N 2.76Å; N92-T98 PolarHBondContact ND2-OG1 3.13Å
93D97.5Very high97.8Very high134 Ų13460.1 Ų60.172%0.71729%0.289SS*.THydrogen-bonded Turntrans51.532.9-177.5-60.2-50.8000113.1D90 Q95D90-D93 PolarHBondContact O-N 2.83Å; D93-Q95 PolarHBondContact O-N 3.48Å
94W97.4Very high97.8Very high79 Ų7958.2 Ų58.230%0.29929%0.286SS..THydrogen-bonded Turntrans55.132.6-176.9-58.987.1000113.3R88 G89 D90 N92 E96 K127 K129R88-W94 HydrophobicContact CG-CE3 4.47Å; R88-W94 PolarHBondContact NH1-O 3.18Å; G89-W94 PolarHBondContact O-N 3.05Å; D90-W94 WeakPolarHBondContact OD1-CZ2 3.44Å; D90-W94 PolarHBondContact OD1-NE1 3Å; N92-W94 PolarHBondContact O-N 3.31Å; N92-W94 VanDerWaalsContact O-N 3.08Å; N92-W94 PolarHBondContact OD1-N 2.95Å; W94-E96 PolarHBondContact O-N 3.02Å; W94-K127 HydrophobicContact CH2-CB 3.9Å; W94-K127 HydrophobicContact CZ2-CB 3.7Å; W94-K127 HydrophobicContact CZ2-CD 4.15Å; W94-K129 HydrophobicContact CH2-CD 4.45Å; W94-K129 HydrophobicContact CH2-CG 4.25Å; W94-K129 HydrophobicContact CZ3-CB 4.28Å; W94-K129 HydrophobicContact CZ3-CD 3.94Å; W94-K129 HydrophobicContact CZ3-CG 3.88Å
95Q97.9Very high97.7Very high109 Ų10956.3 Ų56.351%0.50928%0.284SS..  trans-71.9127.1173.8-69.5178.40.600110.7N92 D93 T98N92-Q95 PolarHBondContact ND2-O 3.1Å; N92-Q95 VanDerWaalsContact ND2-O 3.11Å; N92-Q95 VanDerWaalsContact O-CB 3.32Å; N92-Q95 WeakPolarHBondContact O-CB 3.34Å; N92-Q95 VanDerWaalsContact O-CG 3.24Å; N92-Q95 WeakPolarHBondContact O-CG 3.28Å; N92-Q95 PolarHBondContact O-N 2.76Å; D93-Q95 PolarHBondContact O-N 3.48Å; Q95-T98 HydrophobicContact CB-CG2 3.64Å; Q95-T98 PolarHBondContact O-OG1 2.8Å
96E96.9Very high97.5Very high76 Ų7665.4 Ų65.436%0.35532%0.324SS..THydrogen-bonded Turntrans-70.4152.7172.9-61.8-176.5-17900110.9R88 W94 T98 L131 R139R88-E96 VanDerWaalsContact NH1-CG 3.3Å; W94-E96 PolarHBondContact O-N 3.02Å; E96-T98 VanDerWaalsContact C-N 3.27Å; E96-T98 PolarHBondContact O-N 3.12Å; E96-T98 VanDerWaalsContact O-N 3.17Å; E96-L131 HydrophobicContact CB-CD2 3.91Å; E96-L131 HydrophobicContact CG-CD2 3.98Å; E96-R139 IonicContact OE2-CZ 3.19Å; E96-R139 IonicContact OE2-NE 2.65Å; E96-R139 IonicContact OE2-NH1 3.71Å; E96-R139 PolarHBondContact OE2-NH1 2.92Å
97F97.3Very high97.4Very high79 Ų7964.7 Ų64.735%0.34633%0.325SS..THydrogen-bonded Turntrans66.112.3169.7-44.9-61.1000117.6Y86 L131 V133Y86-F97 HydrophobicContact CD1-CB 4.29Å; Y86-F97 HydrophobicContact CD1-CD1 4.35Å; Y86-F97 AromaticContact CD2-CD1 3.83Å; Y86-F97 HydrophobicContact CD2-CD1 3.83Å; Y86-F97 HydrophobicContact CD2-CE1 4.29Å; Y86-F97 HydrophobicContact CE1-CB 3.93Å; Y86-F97 AromaticContact CE1-CD1 3.98Å; Y86-F97 HydrophobicContact CE1-CD1 3.98Å; Y86-F97 HydrophobicContact CE1-CG 4.48Å; Y86-F97 AromaticContact CE2-CD1 3.48Å; Y86-F97 HydrophobicContact CE2-CD1 3.48Å; Y86-F97 VanDerWaalsContact CE2-CD1 3.48Å; Y86-F97 AromaticContact CE2-CE1 3.96Å; Y86-F97 HydrophobicContact CE2-CE1 3.96Å; Y86-F97 HydrophobicContact CG-CD1 4.28Å; Y86-F97 AromaticContact CZ-CD1 3.57Å; F97-L131 HydrophobicContact CD1-CD2 4.23Å; F97-L131 HydrophobicContact CE1-CD2 3.94Å; F97-L131 HydrophobicContact CZ-CD2 4.35Å; F97-V133 HydrophobicContact CE1-CG2 3.99Å
98T97.3Very high97.4Very high58 Ų5866.4 Ų66.436%0.35633%0.332SS..SBendtrans-87.3-31.7-176.151.70000114.5N92 Q95 E96 P100N92-T98 PolarHBondContact ND2-OG1 3.13Å; Q95-T98 HydrophobicContact CB-CG2 3.64Å; Q95-T98 PolarHBondContact O-OG1 2.8Å; E96-T98 VanDerWaalsContact C-N 3.27Å; E96-T98 PolarHBondContact O-N 3.12Å; E96-T98 VanDerWaalsContact O-N 3.17Å; T98-P100 VanDerWaalsContact C-CD 3.49Å; T98-P100 VanDerWaalsContact O-CD 3.31Å; T98-P100 WeakPolarHBondContact O-CD 3.48Å
99H98.2Very high97.5Very high46 Ų4665.8 Ų65.821%0.21333%0.33CS..EExtended strand (participates in β ladder)trans-121.475.1-177.5-61.173.1000110.6Y86 L87 F91 L111Y86-H99 CarbonylContact C-O 3.53Å; Y86-H99 VanDerWaalsContact CA-O 3.23Å; Y86-H99 WeakPolarHBondContact CA-O 3.22Å; L87-H99 HydrophobicContact CB-CB 4.17Å; L87-H99 PolarHBondContact N-O 3.27Å; F91-H99 AromaticContact CE2-CD2 3.97Å; F91-H99 AromaticContact CE2-CE1 3.51Å; F91-H99 AromaticContact CE2-ND1 3.83Å; F91-H99 AromaticContact CE2-NE2 3.59Å; H99-L111 HydrophobicContact CB-CD1 4.48Å; H99-L111 HydrophobicContact CB-CD2 3.93Å
100P98.3Very high97.5Very high71 Ų7168.2 Ų68.246%0.46134%0.341SS..EExtended strand (participates in β ladder)trans-69.3134.5-177.425.7-32.8000112.6Y86 T98 L111Y86-P100 HydrophobicContact CD1-CB 3.73Å; Y86-P100 HydrophobicContact CE1-CB 3.52Å; Y86-P100 HydrophobicContact CE1-CG 4.39Å; T98-P100 VanDerWaalsContact C-CD 3.49Å; T98-P100 VanDerWaalsContact O-CD 3.31Å; T98-P100 WeakPolarHBondContact O-CD 3.48Å; P100-L111 WeakPolarHBondContact O-CD1 3.37Å
101F98.7Very high97.6Very high12 Ų1265.8 Ų65.85%0.05333%0.328CS..PPolyproline II helixtrans-77.4144.3164.2-71.4-117.6000110C75 E77 M85 L87 W109 E110 L111 L130C75-F101 HydrophobicContact CB-CE1 3.41Å; C75-F101 VanDerWaalsContact CB-CE1 3.41Å; C75-F101 HydrophobicContact CB-CZ 3.46Å; C75-F101 VanDerWaalsContact CB-CZ 3.46Å; E77-F101 HydrophobicContact CG-CE1 4.35Å; M85-F101 HydrophobicContact CB-CB 3.94Å; M85-F101 HydrophobicContact CB-CD2 4.1Å; M85-F101 HydrophobicContact CB-CG 4.09Å; M85-F101 PolarHBondContact O-N 3.09Å; L87-F101 HydrophobicContact CB-CE2 3.97Å; F101-W109 HydrophobicContact CB-CB 3.97Å; F101-W109 HydrophobicContact CB-CE3 4.28Å; F101-W109 HydrophobicContact CD1-CB 4.02Å; F101-W109 HydrophobicContact CG-CB 4.37Å; F101-E110 CarbonylContact C-O 3.55Å; F101-E110 WeakPolarHBondContact CA-O 3.13Å; F101-L111 HydrophobicContact CB-CB 4.42Å; F101-L111 HydrophobicContact CD1-CB 3.74Å; F101-L111 HydrophobicContact CD2-CB 3.92Å; F101-L111 HydrophobicContact CD2-CD2 4.03Å; F101-L111 HydrophobicContact CE1-CB 3.93Å; F101-L111 HydrophobicContact CE2-CB 4.09Å; F101-L111 HydrophobicContact CE2-CD2 3.75Å; F101-L111 HydrophobicContact CG-CB 3.74Å; F101-L111 HydrophobicContact CZ-CB 4.1Å; F101-L111 HydrophobicContact CZ-CD2 4.18Å; F101-L130 HydrophobicContact CE2-CD2 4.02Å; F101-L130 HydrophobicContact CZ-CD2 3.66Å
102K98.5Very high97.6Very high156 Ų15666.9 Ų66.968%0.67834%0.339SS*.EExtended strand (participates in β ladder)trans-89.2129.2170.4-177.2-177.5176.3-172.20109.4V104 W109 E110K102-V104 HydrophobicContact CG-CG1 4.44Å; K102-V104 PolarHBondContact O-N 2.93Å; K102-W109 CarbonylContact O-C 3.58Å; K102-W109 WeakPolarHBondContact O-CA 3.46Å; K102-E110 PolarHBondContact N-O 2.95Å; K102-E110 PolarHBondContact O-N 3.03Å
103N98Very high97.7Very high81 Ų8166.7 Ų66.743%0.43334%0.338SS..EExtended strand (participates in β ladder)trans-68.8123167.8-168.6-47.9000109.4G105 W109N103-G105 WeakPolarHBondContact OD1-CA 3.42Å; N103-G105 PolarHBondContact OD1-N 3.19Å; N103-W109 HydrophobicContact CB-CD2 4.26Å; N103-W109 HydrophobicContact CB-CE3 3.82Å; N103-W109 HydrophobicContact CB-CH2 3.82Å; N103-W109 HydrophobicContact CB-CZ2 4.27Å; N103-W109 HydrophobicContact CB-CZ3 3.6Å; N103-W109 WeakPolarHBondContact ND2-CH2 3.39Å; N103-W109 WeakPolarHBondContact ND2-CZ2 3.27Å
104V97.7Very high97.7Very high60 Ų6065 Ų6536%0.36433%0.334SS..EExtended strand (participates in β ladder)trans-109.814.1-179.6-62.60000112.8K102 K108 E110K102-V104 HydrophobicContact CG-CG1 4.44Å; K102-V104 PolarHBondContact O-N 2.93Å; V104-K108 HydrophobicContact CG2-CB 3.68Å; V104-K108 WeakPolarHBondContact CG2-O 3.44Å; V104-K108 PolarHBondContact N-O 3.45Å; V104-E110 HydrophobicContact CG1-CB 4.14Å; V104-E110 HydrophobicContact CG1-CG 4.2Å; V104-E110 HydrophobicContact CG2-CG 3.93Å
105G96.1Very high97.6Very high26 Ų2663.1 Ų63.127%0.26833%0.333SS..EExtended strand (participates in β ladder)trans92.4166179.500000113.6N103 G107 K108N103-G105 WeakPolarHBondContact OD1-CA 3.42Å; N103-G105 PolarHBondContact OD1-N 3.19Å; G105-G107 PolarHBondContact O-N 2.82Å; G105-G107 VanDerWaalsContact O-N 3.08Å; G105-K108 WeakPolarHBondContact O-CB 3.13Å; G105-K108 PolarHBondContact O-N 2.81Å
106F95.4Very high97.4Very high192 Ų19260.3 Ų60.384%0.84233%0.329SS*.THydrogen-bonded Turntrans51.832.9178.2-54.4-81.2000114.6K108F106-K108 VanDerWaalsContact C-N 3.26Å; F106-K108 PolarHBondContact O-N 2.81Å
107G96.6Very high97.2Very high13 Ų1365 Ų6513%0.13436%0.357CS..THydrogen-bonded Turntrans73.510.5-178.200000115.1A79 G105 W109A79-G107 CarbonylContact C-O 3.55Å; A79-G107 PolarHBondContact N-O 3.45Å; G105-G107 PolarHBondContact O-N 2.82Å; G105-G107 VanDerWaalsContact O-N 3.08Å; G107-W109 VanDerWaalsContact O-CD1 3.28Å
108K98.4Very high96.9Very high39 Ų3963.5 Ų63.517%0.1736%0.363CS..EExtended strand (participates in β ladder)trans-94.5141.4-179.3-62.3174-172.9-1790111.1F63 E77 V104 G105 F106 E319F63-K108 HydrophobicContact CE1-CG 4.41Å; F63-K108 HydrophobicContact CZ-CD 4.24Å; F63-K108 HydrophobicContact CZ-CG 4.46Å; E77-K108 WeakPolarHBondContact O-CA 3.09Å; V104-K108 HydrophobicContact CG2-CB 3.68Å; V104-K108 WeakPolarHBondContact CG2-O 3.44Å; V104-K108 PolarHBondContact N-O 3.45Å; G105-K108 WeakPolarHBondContact O-CB 3.13Å; G105-K108 PolarHBondContact O-N 2.81Å; F106-K108 VanDerWaalsContact C-N 3.26Å; F106-K108 PolarHBondContact O-N 2.81Å; K108-E319 WeakPolarHBondContact CE-OE1 3.45Å; K108-E319 IonicContact NZ-OE1 3.1Å; K108-E319 PolarHBondContact NZ-OE1 3.04Å
109W98.7Very high96.7Very high16 Ų1664.1 Ų64.16%0.06137%0.37CS..EExtended strand (participates in β ladder)trans-130.5132.5-176.4-62.187.1000109.5K76 E77 A79 A82 K83 M85 F101 K102 N103 G107K76-W109 CarbonylContact C-O 3.02Å; K76-W109 VanDerWaalsContact CA-O 3.25Å; K76-W109 WeakPolarHBondContact CA-O 3.21Å; E77-W109 PolarHBondContact N-O 3.17Å; E77-W109 PolarHBondContact O-N 2.91Å; A79-W109 PolarHBondContact O-NE1 2.93Å; A82-W109 HydrophobicContact CB-CZ2 4.25Å; A82-W109 WeakPolarHBondContact O-CZ2 3.44Å; K83-W109 VanDerWaalsContact O-CH2 3.26Å; K83-W109 WeakPolarHBondContact O-CH2 3.41Å; M85-W109 HydrophobicContact CB-CD2 4.36Å; M85-W109 HydrophobicContact CB-CE3 4.28Å; M85-W109 HydrophobicContact CG-CD2 4.15Å; M85-W109 HydrophobicContact CG-CE3 4.49Å; M85-W109 HydrophobicContact CG-CG 4.22Å; M85-W109 HydrophobicContact SD-CB 3.78Å; M85-W109 HydrophobicContact SD-CD2 4.03Å; M85-W109 HydrophobicContact SD-CG 3.49Å; F101-W109 HydrophobicContact CB-CB 3.97Å; F101-W109 HydrophobicContact CB-CE3 4.28Å; F101-W109 HydrophobicContact CD1-CB 4.02Å; F101-W109 HydrophobicContact CG-CB 4.37Å; K102-W109 CarbonylContact O-C 3.58Å; K102-W109 WeakPolarHBondContact O-CA 3.46Å; N103-W109 HydrophobicContact CB-CD2 4.26Å; N103-W109 HydrophobicContact CB-CE3 3.82Å; N103-W109 HydrophobicContact CB-CH2 3.82Å; N103-W109 HydrophobicContact CB-CZ2 4.27Å; N103-W109 HydrophobicContact CB-CZ3 3.6Å; N103-W109 WeakPolarHBondContact ND2-CH2 3.39Å; N103-W109 WeakPolarHBondContact ND2-CZ2 3.27Å; G107-W109 VanDerWaalsContact O-CD1 3.28Å
110E98.6Very high96.6Very high52 Ų5263.5 Ų63.524%0.24337%0.37CS..EExtended strand (participates in β ladder)trans-129.5141.3-176.8-69.9177.7-179.200112.3Y74 C75 K76 F101 K102 V104Y74-E110 HydrophobicContact CE2-CB 4.41Å; Y74-E110 HydrophobicContact CE2-CG 4.37Å; Y74-E110 WeakPolarHBondContact OH-CG 3.41Å; Y74-E110 PolarHBondContact OH-OE1 3.46Å; C75-E110 CarbonylContact O-C 3.51Å; C75-E110 VanDerWaalsContact O-CA 3.31Å; C75-E110 WeakPolarHBondContact O-CA 3.46Å; K76-E110 HydrophobicContact CB-CG 4.18Å; K76-E110 HydrophobicContact CD-CG 4.28Å; K76-E110 VanDerWaalsContact CE-OE1 3.25Å; K76-E110 WeakPolarHBondContact CE-OE1 3.34Å; K76-E110 HydrophobicContact CG-CG 3.82Å; K76-E110 IonicContact NZ-OE1 2.72Å; K76-E110 PolarHBondContact NZ-OE1 3.33Å; F101-E110 CarbonylContact C-O 3.55Å; F101-E110 WeakPolarHBondContact CA-O 3.13Å; K102-E110 PolarHBondContact N-O 2.95Å; K102-E110 PolarHBondContact O-N 3.03Å; V104-E110 HydrophobicContact CG1-CB 4.14Å; V104-E110 HydrophobicContact CG1-CG 4.2Å; V104-E110 HydrophobicContact CG2-CG 3.93Å
111L98.5Very high96.5Very high18 Ų1863 Ų639%0.09437%0.365CS..EExtended strand (participates in β ladder)trans-136.1140.6174165.767.7000108.7C75 L87 H99 P100 F101 I113C75-L111 HydrophobicContact CB-CB 4.2Å; C75-L111 PolarHBondContact N-O 2.59Å; C75-L111 PolarHBondContact O-N 2.96Å; L87-L111 HydrophobicContact CB-CD2 3.68Å; L87-L111 HydrophobicContact CD2-CD2 4.38Å; H99-L111 HydrophobicContact CB-CD1 4.48Å; H99-L111 HydrophobicContact CB-CD2 3.93Å; P100-L111 WeakPolarHBondContact O-CD1 3.37Å; F101-L111 HydrophobicContact CB-CB 4.42Å; F101-L111 HydrophobicContact CD1-CB 3.74Å; F101-L111 HydrophobicContact CD2-CB 3.92Å; F101-L111 HydrophobicContact CD2-CD2 4.03Å; F101-L111 HydrophobicContact CE1-CB 3.93Å; F101-L111 HydrophobicContact CE2-CB 4.09Å; F101-L111 HydrophobicContact CE2-CD2 3.75Å; F101-L111 HydrophobicContact CG-CB 3.74Å; F101-L111 HydrophobicContact CZ-CB 4.1Å; F101-L111 HydrophobicContact CZ-CD2 4.18Å; L111-I113 HydrophobicContact CD1-CG1 4.25Å; L111-I113 HydrophobicContact CD2-CD1 4.1Å; L111-I113 HydrophobicContact CD2-CG1 4.02Å; L111-I113 HydrophobicContact CG-CG1 4.01Å
112T98.3Very high96.4Very high74 Ų7462.4 Ų62.445%0.45436%0.363SS..EExtended strand (participates in β ladder)trans-125.1123.5168.4-57.80000109I73I73-T112 CarbonylContact O-C 3.56Å; I73-T112 WeakPolarHBondContact O-CA 3.3Å
113I97.8Very high96.2Very high10 Ų1060.3 Ų60.35%0.05136%0.359CS..EExtended strand (participates in β ladder)trans-103.3119.7175.2-48.4179000108S72 I73 L87 F91 L111 V121 I122S72-I113 WeakPolarHBondContact CA-O 3.24Å; I73-I113 HydrophobicContact CB-CB 4.25Å; I73-I113 PolarHBondContact N-O 2.95Å; I73-I113 PolarHBondContact O-N 3.32Å; L87-I113 HydrophobicContact CD2-CD1 3.67Å; F91-I113 HydrophobicContact CE2-CD1 4.38Å; L111-I113 HydrophobicContact CD1-CG1 4.25Å; L111-I113 HydrophobicContact CD2-CD1 4.1Å; L111-I113 HydrophobicContact CD2-CG1 4.02Å; L111-I113 HydrophobicContact CG-CG1 4.01Å; I113-V121 HydrophobicContact CB-CG2 4.41Å; I113-V121 HydrophobicContact CG2-CG2 3.46Å; I113-V121 VanDerWaalsContact CG2-CG2 3.46Å; I113-I122 HydrophobicContact CD1-CD1 4.17Å
114P97.1Very high96.2Very high97 Ų9759.3 Ų59.363%0.6335%0.351SS*.PPolyproline II helixtrans-59.7152.6179.8-24.634.4000113.1V121P114-V121 WeakPolarHBondContact O-CG1 3.39Å
115S95.9Very high96.1Very high40 Ų4060.4 Ų60.428%0.2836%0.355SS..PPolyproline II helixtrans-75.3152.5174.667.10000112.3D70 G71 G118 S119D70-S115 WeakPolarHBondContact O-CB 3.1Å; D70-S115 PolarHBondContact O-OG 2.92Å; G71-S115 WeakPolarHBondContact O-CB 3.48Å; S115-G118 WeakPolarHBondContact OG-CA 3.21Å; S115-G118 PolarHBondContact OG-N 3.46Å; S115-S119 CarbonylContact C-O 3.51Å; S115-S119 WeakPolarHBondContact CA-O 3.44Å; S115-S119 WeakPolarHBondContact CB-O 3.47Å
116A93Very high96.2Very high51 Ų5160.1 Ų60.142%0.42135%0.349SS..BIsolated β-bridgetrans-90.7100.1167.200000108.7G118 S119 V121A116-G118 VanDerWaalsContact C-N 3.29Å; A116-G118 PolarHBondContact O-N 2.96Å; A116-S119 PolarHBondContact N-O 2.9Å; A116-S119 PolarHBondContact O-N 3.42Å; A116-V121 HydrophobicContact CB-CG1 3.74Å
117N92.1Very high96.3Very high175 Ų17553.4 Ų53.494%0.93632%0.319SS*.THydrogen-bonded Turntrans53.143.2179.5-57.1-39.8000113.2S119N117-S119 VanDerWaalsContact C-N 3.3Å; N117-S119 PolarHBondContact O-N 3.43Å
118G91.8Very high96.4Very high47 Ų4752.8 Ų52.849%0.48531%0.313SS..THydrogen-bonded Turntrans80.92.2-179.300000115S115 A116S115-G118 WeakPolarHBondContact OG-CA 3.21Å; S115-G118 PolarHBondContact OG-N 3.46Å; A116-G118 VanDerWaalsContact C-N 3.29Å; A116-G118 PolarHBondContact O-N 2.96Å
119S93.5Very high96.4Very high71 Ų7152.3 Ų52.350%0.49731%0.311SS..BIsolated β-bridgetrans-110.2147.3174.1-59.30000111.4S115 A116 N117 V121S115-S119 CarbonylContact C-O 3.51Å; S115-S119 WeakPolarHBondContact CA-O 3.44Å; S115-S119 WeakPolarHBondContact CB-O 3.47Å; A116-S119 PolarHBondContact N-O 2.9Å; A116-S119 PolarHBondContact O-N 3.42Å; N117-S119 VanDerWaalsContact C-N 3.3Å; N117-S119 PolarHBondContact O-N 3.43Å; S119-V121 PolarHBondContact O-N 2.86Å
120P95.5Very high96.4Very high33 Ų3351.6 Ų51.621%0.21431%0.308CS..  trans-60.8134.9175.726.3-34.1000111.6V67 G71 I73 I122V67-P120 HydrophobicContact CG1-CB 3.86Å; V67-P120 HydrophobicContact CG1-CG 4.06Å; V67-P120 HydrophobicContact CG2-CB 4.36Å; G71-P120 WeakPolarHBondContact O-CA 3.49Å; I73-P120 HydrophobicContact CD1-CB 4.25Å; I73-P120 HydrophobicContact CG1-CB 4.32Å; P120-I122 VanDerWaalsContact C-N 3.27Å; P120-I122 PolarHBondContact O-N 2.79Å
121V95.6Very high96.3Very high59 Ų5949.2 Ų49.236%0.35830%0.297SS..SBendtrans-71.1-23.5177.5-70.40000113I73 I113 P114 A116 S119I73-V121 HydrophobicContact CD1-CG2 4.25Å; I113-V121 HydrophobicContact CB-CG2 4.41Å; I113-V121 HydrophobicContact CG2-CG2 3.46Å; I113-V121 VanDerWaalsContact CG2-CG2 3.46Å; P114-V121 WeakPolarHBondContact O-CG1 3.39Å; A116-V121 HydrophobicContact CB-CG1 3.74Å; S119-V121 PolarHBondContact O-N 2.86Å
122I97.1Very high96.3Very high1 Ų148.4 Ų48.41%0.00529%0.293CS..SBendtrans-102.5123.5173.8-47.9175.7000107.6I73 L87 F91 I113 P120 I128 L163I73-I122 HydrophobicContact CD1-CB 3.61Å; I73-I122 HydrophobicContact CD1-CD1 3.7Å; I73-I122 HydrophobicContact CD1-CG1 3.53Å; L87-I122 HydrophobicContact CD2-CD1 3.93Å; F91-I122 HydrophobicContact CB-CB 4.38Å; F91-I122 HydrophobicContact CB-CG1 3.85Å; F91-I122 HydrophobicContact CB-CG2 4.26Å; F91-I122 HydrophobicContact CD1-CD1 3.59Å; F91-I122 HydrophobicContact CD1-CG1 3.76Å; F91-I122 HydrophobicContact CD1-CG2 4.19Å; F91-I122 HydrophobicContact CD2-CD1 4.06Å; F91-I122 HydrophobicContact CD2-CG1 3.84Å; F91-I122 HydrophobicContact CE1-CD1 3.59Å; F91-I122 HydrophobicContact CE1-CG1 4.25Å; F91-I122 HydrophobicContact CE2-CD1 4.04Å; F91-I122 HydrophobicContact CE2-CG1 4.3Å; F91-I122 HydrophobicContact CG-CB 4.49Å; F91-I122 HydrophobicContact CG-CD1 3.85Å; F91-I122 HydrophobicContact CG-CG1 3.54Å; F91-I122 HydrophobicContact CG-CG2 4.43Å; F91-I122 HydrophobicContact CZ-CD1 3.83Å; I113-I122 HydrophobicContact CD1-CD1 4.17Å; P120-I122 VanDerWaalsContact C-N 3.27Å; P120-I122 PolarHBondContact O-N 2.79Å; I122-I128 HydrophobicContact CD1-CG2 4.31Å; I122-I128 HydrophobicContact CG2-CG2 4.06Å; I122-L163 HydrophobicContact CB-CD2 3.67Å; I122-L163 HydrophobicContact CG2-CB 4.27Å; I122-L163 HydrophobicContact CG2-CD2 3.67Å; I122-L163 VanDerWaalsContact O-CD2 3.29Å; I122-L163 WeakPolarHBondContact O-CD2 3.32Å
123N95.6Very high96.3Very high111 Ų11145.3 Ų45.359%0.59427%0.274SS*.PPolyproline II helixtrans-76.4157.6-178.5-67.1-42.6000111.6L125 S126N123-L125 PolarHBondContact O-N 2.9Å; N123-S126 VanDerWaalsContact O-CB 3.31Å; N123-S126 WeakPolarHBondContact O-CB 3.29Å; N123-S126 PolarHBondContact O-N 3.35Å; N123-S126 VanDerWaalsContact O-N 3.15Å; N123-S126 PolarHBondContact O-OG 2.64Å
124H96.7Very high96.3Very high60 Ų6045 Ų4528%0.27827%0.272SS..THydrogen-bonded Turntrans-53.9136.5168.3179.441.6000110.9S126 L163 Y164 N165H124-S126 PolarHBondContact O-N 3.28Å; H124-L163 PolarHBondContact ND1-O 2.8Å; H124-L163 VanDerWaalsContact ND1-O 3.13Å; H124-Y164 AromaticContact CE1-CD2 3.62Å; H124-Y164 AromaticContact CE1-CE2 3.75Å; H124-N165 WeakPolarHBondContact CB-O 3.3Å; H124-N165 PolarHBondContact ND1-N 2.77Å; H124-N165 VanDerWaalsContact ND1-N 3.13Å
125L97Very high96.3Very high84 Ų8446.4 Ų46.444%0.4427%0.271SS..THydrogen-bonded Turntrans66.210-177.9-52.7179000115.6N123 Y149 L162 L163N123-L125 PolarHBondContact O-N 2.9Å; L125-Y149 HydrophobicContact CD2-CD1 3.94Å; L125-Y149 HydrophobicContact CD2-CE1 3.68Å; L125-L162 HydrophobicContact CD2-CB 4.37Å; L125-L162 HydrophobicContact CD2-CD1 4.12Å; L125-L163 PolarHBondContact N-O 3.07Å
126S97.8Very high96.4Very high20 Ų2049.3 Ų49.314%0.1428%0.283CS..  trans-65.5138.5163.7-68.40000110.3N123 H124 L162 L163N123-S126 VanDerWaalsContact O-CB 3.31Å; N123-S126 WeakPolarHBondContact O-CB 3.29Å; N123-S126 PolarHBondContact O-N 3.35Å; N123-S126 VanDerWaalsContact O-N 3.15Å; N123-S126 PolarHBondContact O-OG 2.64Å; H124-S126 PolarHBondContact O-N 3.28Å; S126-L162 WeakPolarHBondContact O-CA 3.44Å; S126-L163 PolarHBondContact O-N 2.73Å
127K97.6Very high96.5Very high50 Ų5048.8 Ų48.822%0.21728%0.283CS..EExtended strand (participates in β ladder)trans-70.8135.9173.7-63.9-176.1176.9-1570110G89 D90 W94 D160 Q161 L162G89-K127 WeakPolarHBondContact CA-O 3.3Å; D90-K127 PolarHBondContact N-O 3.17Å; D90-K127 WeakPolarHBondContact OD2-CB 3.36Å; D90-K127 PolarHBondContact OD2-N 3.03Å; W94-K127 HydrophobicContact CH2-CB 3.9Å; W94-K127 HydrophobicContact CZ2-CB 3.7Å; W94-K127 HydrophobicContact CZ2-CD 4.15Å; K127-D160 HydrophobicContact CD-CB 4.34Å; K127-D160 HydrophobicContact CG-CB 4.48Å; K127-D160 IonicContact NZ-OD2 2.95Å; K127-D160 PolarHBondContact NZ-OD2 2.7Å; K127-Q161 WeakPolarHBondContact CA-O 3.36Å; K127-L162 HydrophobicContact CB-CD2 4.43Å; K127-L162 HydrophobicContact CG-CD2 3.69Å
128I97.9Very high96.8Very high0 Ų045.7 Ų45.70%026%0.258CS..EExtended strand (participates in β ladder)trans-135.2150.4175.659.8173.3000110V65 L87 R88 F91 I122 Q161 L163V65-I128 HydrophobicContact CB-CD1 4.2Å; V65-I128 HydrophobicContact CG1-CD1 4.03Å; V65-I128 HydrophobicContact CG2-CD1 4.1Å; L87-I128 HydrophobicContact CD1-CB 4.49Å; R88-I128 CarbonylContact O-C 3.56Å; R88-I128 WeakPolarHBondContact O-CA 3.42Å; F91-I128 HydrophobicContact CD1-CG2 4.3Å; F91-I128 HydrophobicContact CE1-CG2 4.21Å; I122-I128 HydrophobicContact CD1-CG2 4.31Å; I122-I128 HydrophobicContact CG2-CG2 4.06Å; I128-Q161 HydrophobicContact CD1-CG 4.08Å; I128-Q161 HydrophobicContact CG1-CB 4.27Å; I128-Q161 HydrophobicContact CG1-CG 3.78Å; I128-Q161 PolarHBondContact N-O 3.12Å; I128-L163 HydrophobicContact CD1-CB 4.34Å; I128-L163 HydrophobicContact CD1-CD1 4.4Å
129K97.8Very high97.1Very high29 Ų2950.4 Ų50.413%0.12626%0.261CS..EExtended strand (participates in β ladder)trans-141.9148172-68-165.6-178.3-170.10110.8R88 W94 D141 L143 D160R88-K129 HydrophobicContact CG-CB 4.22Å; R88-K129 PolarHBondContact N-O 2.75Å; R88-K129 PolarHBondContact O-N 3.14Å; W94-K129 HydrophobicContact CH2-CD 4.45Å; W94-K129 HydrophobicContact CH2-CG 4.25Å; W94-K129 HydrophobicContact CZ3-CB 4.28Å; W94-K129 HydrophobicContact CZ3-CD 3.94Å; W94-K129 HydrophobicContact CZ3-CG 3.88Å; K129-D141 HydrophobicContact CD-CB 3.9Å; K129-D141 WeakPolarHBondContact CD-OD2 3.38Å; K129-D141 IonicContact NZ-OD2 3.93Å; K129-L143 HydrophobicContact CG-CD2 4.46Å; K129-D160 WeakPolarHBondContact CE-OD1 3.33Å; K129-D160 IonicContact NZ-OD1 3.87Å
130L98.4Very high97.3Very high1 Ų148 Ų481%0.00524%0.242CC..EExtended strand (participates in β ladder)trans-81.6130163.6-59.7172.7000108E77 M85 L87 F101 D141 R142 F289E77-L130 HydrophobicContact CG-CD1 3.76Å; E77-L130 HydrophobicContact CG-CD2 4.23Å; M85-L130 HydrophobicContact CE-CD1 4.25Å; M85-L130 HydrophobicContact CE-CD2 4.48Å; L87-L130 HydrophobicContact CD1-CD2 4Å; F101-L130 HydrophobicContact CE2-CD2 4.02Å; F101-L130 HydrophobicContact CZ-CD2 3.66Å; L130-D141 CarbonylContact O-C 3.56Å; L130-D141 WeakPolarHBondContact O-CA 3.34Å; L130-R142 HydrophobicContact CB-CB 4.2Å; L130-R142 PolarHBondContact N-O 3.39Å; L130-R142 PolarHBondContact O-N 3.36Å; L130-F289 HydrophobicContact CD1-CE2 3.88Å; L130-F289 HydrophobicContact CD1-CZ 3.8Å
131L98.4Very high97.3Very high3 Ų348.8 Ų48.82%0.01625%0.245CC..EExtended strand (participates in β ladder)trans-99.5106167.217563.7000108M85 Y86 R88 E96 F97 R139M85-L131 CarbonylContact C-O 3.51Å; M85-L131 WeakPolarHBondContact CA-O 3.25Å; Y86-L131 HydrophobicContact CD2-CD2 4.36Å; Y86-L131 PolarHBondContact N-O 3.03Å; Y86-L131 PolarHBondContact O-N 3.23Å; R88-L131 HydrophobicContact CG-CB 4.44Å; E96-L131 HydrophobicContact CB-CD2 3.91Å; E96-L131 HydrophobicContact CG-CD2 3.98Å; F97-L131 HydrophobicContact CD1-CD2 4.23Å; F97-L131 HydrophobicContact CE1-CD2 3.94Å; F97-L131 HydrophobicContact CZ-CD2 4.35Å; L131-R139 HydrophobicContact CD1-CB 4.03Å
132V98.5Very high97.4Very high0 Ų046.2 Ų46.20%023%0.229CC..EExtended strand (participates in β ladder)trans-94.8122.6175.4-1800000108.9A82 M85 L140 R142A82-V132 HydrophobicContact CB-CG1 3.8Å; M85-V132 HydrophobicContact CE-CG2 4.05Å; M85-V132 HydrophobicContact CG-CG2 4.37Å; V132-L140 HydrophobicContact CB-CB 4.23Å; V132-L140 PolarHBondContact N-O 3.22Å; V132-L140 WeakPolarHBondContact O-CB 3.27Å; V132-L140 PolarHBondContact O-N 3.49Å; V132-R142 HydrophobicContact CB-CG 4.46Å; V132-R142 HydrophobicContact CG2-CB 4.38Å; V132-R142 HydrophobicContact CG2-CG 3.93Å
133V98.5Very high97.5Very high10 Ų1046.7 Ų46.76%0.06123%0.231CC..EExtended strand (participates in β ladder)trans-93.5113.8168.3-174.50000107.3K83 E84 Y86 F97 R138K83-V133 WeakPolarHBondContact CA-O 3.36Å; K83-V133 VanDerWaalsContact CB-O 3.27Å; K83-V133 WeakPolarHBondContact CB-O 3.42Å; K83-V133 PolarHBondContact N-O 3.19Å; E84-V133 HydrophobicContact CB-CB 3.96Å; E84-V133 HydrophobicContact CB-CG2 4.06Å; E84-V133 PolarHBondContact N-O 3.5Å; E84-V133 PolarHBondContact O-N 3.16Å; Y86-V133 HydrophobicContact CD2-CG2 4.44Å; Y86-V133 HydrophobicContact CE2-CG2 4.15Å; F97-V133 HydrophobicContact CE1-CG2 3.99Å; V133-R138 WeakPolarHBondContact CA-O 3.18Å
134A97.7Very high97.6Very high2 Ų241.5 Ų41.52%0.01720%0.204CC..EExtended strand (participates in β ladder)trans-73.416517700000111.6D136 G137 R138 L140A134-D136 WeakPolarHBondContact CB-OD1 3.47Å; A134-D136 PolarHBondContact O-N 2.94Å; A134-G137 WeakPolarHBondContact O-CA 3.17Å; A134-G137 PolarHBondContact O-N 3.4Å; A134-R138 HydrophobicContact CB-CB 4.31Å; A134-R138 PolarHBondContact N-O 2.86Å; A134-L140 HydrophobicContact CB-CD1 4.07Å
135Q96.8Very high97.7Very high127 Ų12738.7 Ų38.759%0.59319%0.191SC*.THydrogen-bonded Turntrans-58.2-33.2178.7-65-59.8-23.300113.5G81 A82 G137G81-Q135 WeakPolarHBondContact O-CG 3.48Å; G81-Q135 PolarHBondContact O-NE2 3.29Å; A82-Q135 PolarHBondContact O-NE2 3.24Å; Q135-G137 PolarHBondContact O-N 2.88Å
136D96.5Very high97.8Very high102 Ų10235.3 Ų35.355%0.54517%0.172SC..THydrogen-bonded Turntrans-79.72.4176.462.318.4000113.8A134 R138A134-D136 WeakPolarHBondContact CB-OD1 3.47Å; A134-D136 PolarHBondContact O-N 2.94Å; D136-R138 VanDerWaalsContact CG-NE 3.31Å; D136-R138 VanDerWaalsContact OD1-CB 3.31Å; D136-R138 WeakPolarHBondContact OD1-CB 3.47Å; D136-R138 WeakPolarHBondContact OD1-CG 3.32Å; D136-R138 IonicContact OD1-CZ 3.92Å; D136-R138 PolarHBondContact OD1-N 3.5Å; D136-R138 IonicContact OD1-NE 3.13Å; D136-R138 PolarHBondContact OD1-NE 2.96Å; D136-R138 IonicContact OD1-NH2 3.99Å; D136-R138 IonicContact OD2-CZ 3.7Å; D136-R138 IonicContact OD2-NE 3.7Å; D136-R138 PolarHBondContact OD2-NE 3.47Å; D136-R138 IonicContact OD2-NH2 2.74Å; D136-R138 PolarHBondContact OD2-NH2 2.93Å
137G96.8Very high97.8Very high40 Ų4034.4 Ų34.441%0.41217%0.166SC..  trans85.1-0.3178.500000115A134 Q135 R139A134-G137 WeakPolarHBondContact O-CA 3.17Å; A134-G137 PolarHBondContact O-N 3.4Å; Q135-G137 PolarHBondContact O-N 2.88Å; G137-R139 PolarHBondContact O-N 3.42Å
138R97.8Very high97.8Very high109 Ų10933.2 Ų33.241%0.41116%0.163SC..  trans-60.1137.5171.3-73.7-179.4-69.2150.11.7110.3V133 A134 D136 L140 G291V133-R138 WeakPolarHBondContact CA-O 3.18Å; A134-R138 HydrophobicContact CB-CB 4.31Å; A134-R138 PolarHBondContact N-O 2.86Å; D136-R138 VanDerWaalsContact CG-NE 3.31Å; D136-R138 VanDerWaalsContact OD1-CB 3.31Å; D136-R138 WeakPolarHBondContact OD1-CB 3.47Å; D136-R138 WeakPolarHBondContact OD1-CG 3.32Å; D136-R138 IonicContact OD1-CZ 3.92Å; D136-R138 PolarHBondContact OD1-N 3.5Å; D136-R138 IonicContact OD1-NE 3.13Å; D136-R138 PolarHBondContact OD1-NE 2.96Å; D136-R138 IonicContact OD1-NH2 3.99Å; D136-R138 IonicContact OD2-CZ 3.7Å; D136-R138 IonicContact OD2-NE 3.7Å; D136-R138 PolarHBondContact OD2-NE 3.47Å; D136-R138 IonicContact OD2-NH2 2.74Å; D136-R138 PolarHBondContact OD2-NH2 2.93Å; R138-L140 HydrophobicContact CB-CD2 4.15Å; R138-L140 HydrophobicContact CB-CG 4.36Å; R138-G291 PolarHBondContact NH2-O 3.01Å
139R97.7Very high97.8Very high147 Ų14733.8 Ų33.856%0.55517%0.166SC*.EExtended strand (participates in β ladder)trans-100.1120.4175.5-64.8178.5-164-179.12.8108.4E96 L131 G137E96-R139 IonicContact OE2-CZ 3.19Å; E96-R139 IonicContact OE2-NE 2.65Å; E96-R139 IonicContact OE2-NH1 3.71Å; E96-R139 PolarHBondContact OE2-NH1 2.92Å; L131-R139 HydrophobicContact CD1-CB 4.03Å; G137-R139 PolarHBondContact O-N 3.42Å
140L97.7Very high97.8Very high20 Ų2032.4 Ų32.411%0.10516%0.16CC..EExtended strand (participates in β ladder)trans-124.3112.3-167.1-58.6175.6000109.3V132 A134 R138V132-L140 HydrophobicContact CB-CB 4.23Å; V132-L140 PolarHBondContact N-O 3.22Å; V132-L140 WeakPolarHBondContact O-CB 3.27Å; V132-L140 PolarHBondContact O-N 3.49Å; A134-L140 HydrophobicContact CB-CD1 4.07Å; R138-L140 HydrophobicContact CB-CD2 4.15Å; R138-L140 HydrophobicContact CB-CG 4.36Å
141D96.6Very high97.7Very high50 Ų5036 Ų3627%0.26718%0.175SC..EExtended strand (participates in β ladder)trans-70.8129167.2-93.8-4.6000108.9R88 K129 L130R88-D141 IonicContact NE-OD1 3.8Å; R88-D141 PolarHBondContact NE-OD1 2.95Å; K129-D141 HydrophobicContact CD-CB 3.9Å; K129-D141 WeakPolarHBondContact CD-OD2 3.38Å; K129-D141 IonicContact NZ-OD2 3.93Å; L130-D141 CarbonylContact O-C 3.56Å; L130-D141 WeakPolarHBondContact O-CA 3.34Å
142R97.9Very high97.4Very high4 Ų437.6 Ų37.62%0.01519%0.186CC..EExtended strand (participates in β ladder)trans-136.6153.7179.9-63.1-66.2179.2-105.314.4111L130 V132 T282 Q288 F289L130-R142 HydrophobicContact CB-CB 4.2Å; L130-R142 PolarHBondContact N-O 3.39Å; L130-R142 PolarHBondContact O-N 3.36Å; V132-R142 HydrophobicContact CB-CG 4.46Å; V132-R142 HydrophobicContact CG2-CB 4.38Å; V132-R142 HydrophobicContact CG2-CG 3.93Å; R142-T282 VanDerWaalsContact CD-O 3.27Å; R142-T282 WeakPolarHBondContact CD-O 3.27Å; R142-T282 PolarHBondContact NE-O 3.22Å; R142-T282 VanDerWaalsContact NE-O 3.15Å; R142-T282 PolarHBondContact NH1-O 2.86Å; R142-T282 VanDerWaalsContact NH1-O 3.11Å; R142-Q288 PolarHBondContact NE-O 3.18Å; R142-Q288 PolarHBondContact NH2-O 3.22Å; R142-F289 HydrophobicContact CB-CD2 3.97Å; R142-F289 HydrophobicContact CB-CE2 3.82Å; R142-F289 HydrophobicContact CG-CD2 4.04Å; R142-F289 HydrophobicContact CG-CE2 4.27Å; R142-F289 PolarHBondContact NE-O 3.49Å
143L97.9Very high97Very high11 Ų1141.2 Ų41.26%0.05820%0.202CC..  trans-91151.6163.4-49.2-171.7000108.6K129 V150 Q161 D284 F289K129-L143 HydrophobicContact CG-CD2 4.46Å; L143-V150 HydrophobicContact CD1-CB 4.29Å; L143-V150 HydrophobicContact CD1-CG1 3.88Å; L143-Q161 HydrophobicContact CB-CB 4.31Å; L143-Q161 HydrophobicContact CD2-CB 3.8Å; L143-Q161 HydrophobicContact CG-CB 4.42Å; L143-D284 HydrophobicContact CD1-CB 3.81Å; L143-D284 HydrophobicContact CG-CB 4.31Å; L143-F289 WeakPolarHBondContact O-CE2 3.38Å
144S98.4Very high95.9Very high2 Ų245.1 Ų45.11%0.01424%0.244CC..  trans-60.5131.1169178.30000109.8G64 E77 W146 A147G64-S144 WeakPolarHBondContact CA-OG 3.49Å; E77-S144 WeakPolarHBondContact OE1-CB 3.47Å; E77-S144 PolarHBondContact OE1-OG 3.1Å; S144-W146 PolarHBondContact O-N 3.1Å; S144-W146 VanDerWaalsContact O-N 3.07Å; S144-W146 PolarHBondContact OG-N 3.09Å; S144-W146 VanDerWaalsContact OG-N 3.17Å; S144-A147 VanDerWaalsContact O-CB 3.22Å; S144-A147 WeakPolarHBondContact O-CB 3.31Å; S144-A147 PolarHBondContact O-N 3.11Å
145P98.3Very high94.7Very high2 Ų248.8 Ų48.81%0.01328%0.283CS..THydrogen-bonded Turntrans-53.2-25.8168.8-29.839.3000112.9E77 L286 F289 Y296 F323E77-P145 WeakPolarHBondContact OE2-CD 3.17Å; P145-L286 HydrophobicContact CB-CD2 3.5Å; P145-L286 HydrophobicContact CG-CD2 3.81Å; P145-F289 VanDerWaalsContact CD-CE2 3.49Å; P145-F289 HydrophobicContact CG-CD1 4.26Å; P145-F289 HydrophobicContact CG-CD2 4.01Å; P145-F289 HydrophobicContact CG-CE1 4.05Å; P145-F289 HydrophobicContact CG-CE2 3.83Å; P145-F289 HydrophobicContact CG-CG 4.23Å; P145-F289 HydrophobicContact CG-CZ 3.83Å; P145-Y296 HydrophobicContact CB-CE2 4.38Å; P145-Y296 HydrophobicContact CG-CE2 3.85Å; P145-Y296 WeakPolarHBondContact CG-OH 3.41Å; P145-F323 HydrophobicContact CB-CD2 4.38Å; P145-F323 HydrophobicContact CB-CE2 3.75Å; P145-F323 WeakPolarHBondContact O-CE2 3.26Å
146W98.6Very high93.8Very high13 Ų1346.6 Ų46.65%0.04928%0.275CS..THydrogen-bonded Turntrans-100.111-176.2-53.186.8000112.7Y60 F63 S144 P148 F243 F323Y60-W146 VanDerWaalsContact N-CZ3 3.27Å; F63-W146 HydrophobicContact CB-CD2 3.52Å; F63-W146 HydrophobicContact CB-CE3 4.18Å; F63-W146 HydrophobicContact CB-CG 3.71Å; F63-W146 HydrophobicContact CB-CH2 4.36Å; F63-W146 HydrophobicContact CB-CZ2 3.77Å; F63-W146 HydrophobicContact CD2-CH2 4.34Å; F63-W146 AromaticContact CD2-CZ2 3.97Å; F63-W146 HydrophobicContact CD2-CZ2 3.97Å; F63-W146 AromaticContact CG-CE2 3.84Å; F63-W146 AromaticContact CG-CZ2 3.87Å; F63-W146 HydrophobicContact CG-CZ2 3.87Å; F63-W146 AromaticContact CG-NE1 3.94Å; S144-W146 PolarHBondContact O-N 3.1Å; S144-W146 VanDerWaalsContact O-N 3.07Å; S144-W146 PolarHBondContact OG-N 3.09Å; S144-W146 VanDerWaalsContact OG-N 3.17Å; W146-P148 WeakPolarHBondContact O-CD 3.2Å; W146-F243 HydrophobicContact CD2-CE2 4.33Å; W146-F243 HydrophobicContact CD2-CZ 4.5Å; W146-F243 HydrophobicContact CE3-CD1 4.41Å; W146-F243 HydrophobicContact CE3-CD2 4.25Å; W146-F243 AromaticContact CE3-CE1 3.86Å; W146-F243 HydrophobicContact CE3-CE1 3.86Å; W146-F243 AromaticContact CE3-CE2 3.69Å; W146-F243 HydrophobicContact CE3-CE2 3.69Å; W146-F243 AromaticContact CE3-CZ 3.46Å; W146-F243 HydrophobicContact CE3-CZ 3.46Å; W146-F243 VanDerWaalsContact CE3-CZ 3.46Å; W146-F243 HydrophobicContact CH2-CZ 4.42Å; W146-F243 AromaticContact CZ3-CE1 3.97Å; W146-F243 HydrophobicContact CZ3-CE1 3.97Å; W146-F243 AromaticContact CZ3-CE2 3.98Å; W146-F243 HydrophobicContact CZ3-CE2 3.98Å; W146-F243 AromaticContact CZ3-CZ 3.42Å; W146-F243 HydrophobicContact CZ3-CZ 3.42Å; W146-F243 VanDerWaalsContact CZ3-CZ 3.42Å; W146-F323 HydrophobicContact CD2-CD2 4.25Å; W146-F323 AromaticContact CE2-CD2 3.86Å; W146-F323 HydrophobicContact CH2-CB 4.24Å; W146-F323 HydrophobicContact CH2-CD2 4.18Å; W146-F323 HydrophobicContact CZ2-CB 4.14Å; W146-F323 AromaticContact CZ2-CD2 3.83Å; W146-F323 HydrophobicContact CZ2-CD2 3.83Å; W146-F323 HydrophobicContact CZ3-CD2 4.48Å
147A98.4Very high93.2Very high1 Ų148.5 Ų48.51%0.00828%0.284CS..  trans-60.3121.7-179.100000111.1S144 Y149 V150 Q161 F243 A244S144-A147 VanDerWaalsContact O-CB 3.22Å; S144-A147 WeakPolarHBondContact O-CB 3.31Å; S144-A147 PolarHBondContact O-N 3.11Å; A147-Y149 VanDerWaalsContact C-N 3.33Å; A147-V150 HydrophobicContact CB-CG1 3.71Å; A147-Q161 HydrophobicContact CB-CB 4.47Å; A147-Q161 HydrophobicContact CB-CG 3.8Å; A147-F243 CarbonylContact O-C 3.57Å; A147-A244 WeakPolarHBondContact O-CB 3.28Å; A147-A244 PolarHBondContact O-N 3.49Å
148P97.3Very high92.9Very high25 Ų2548.8 Ų48.816%0.16228%0.275CS..SBendtrans-82.6-13179.533.4-37.3000113.1W146 A244 W330W146-P148 WeakPolarHBondContact O-CD 3.2Å; P148-A244 WeakPolarHBondContact O-CA 3.45Å; P148-W330 HydrophobicContact CB-CH2 3.97Å; P148-W330 HydrophobicContact CB-CZ2 3.71Å
149Y98Very high92.8Very high12 Ų1244.1 Ų44.15%0.04726%0.258CS..  trans-151.5121.2178.7-166.6-130.9000111.2L125 A147 L162 Y164 P252L125-Y149 HydrophobicContact CD2-CD1 3.94Å; L125-Y149 HydrophobicContact CD2-CE1 3.68Å; A147-Y149 VanDerWaalsContact C-N 3.33Å; Y149-L162 HydrophobicContact CD1-CB 3.93Å; Y149-L162 HydrophobicContact CD1-CD1 3.85Å; Y149-L162 HydrophobicContact CD1-CG 4.42Å; Y149-L162 HydrophobicContact CE1-CD1 3.62Å; Y149-L162 PolarHBondContact O-N 3.33Å; Y149-L162 VanDerWaalsContact O-N 3.1Å; Y149-Y164 AromaticContact CD1-CD2 3.5Å; Y149-Y164 HydrophobicContact CD1-CD2 3.5Å; Y149-Y164 AromaticContact CD1-CE2 3.98Å; Y149-Y164 HydrophobicContact CD1-CE2 3.98Å; Y149-Y164 HydrophobicContact CE1-CD2 4.28Å; Y149-Y164 HydrophobicContact CE1-CE2 4.37Å; Y149-Y164 AromaticContact CG-CD2 3.67Å; Y149-Y164 HydrophobicContact CG-CD2 3.67Å; Y149-Y164 HydrophobicContact CG-CE2 4.13Å; Y149-Y164 HydrophobicContact CG-CG 4.39Å; Y149-P252 HydrophobicContact CD2-CG 3.79Å; Y149-P252 HydrophobicContact CE2-CG 4.31Å; Y149-P252 HydrophobicContact CG-CG 4.32Å
150V97.8Very high92.8Very high0 Ų037.7 Ų37.70%023%0.234CC..EExtended strand (participates in β ladder)trans-131.2152.3174.8-55.70000108L143 A147 Y159 D160 Q161 E228 A244 S247L143-V150 HydrophobicContact CD1-CB 4.29Å; L143-V150 HydrophobicContact CD1-CG1 3.88Å; A147-V150 HydrophobicContact CB-CG1 3.71Å; V150-Y159 HydrophobicContact CB-CD1 4.44Å; V150-Y159 HydrophobicContact CG2-CD1 3.97Å; V150-D160 CarbonylContact C-O 3.57Å; V150-D160 VanDerWaalsContact CA-O 3.24Å; V150-D160 WeakPolarHBondContact CA-O 3.33Å; V150-Q161 HydrophobicContact CG1-CB 4.18Å; V150-E228 HydrophobicContact CG2-CB 3.87Å; V150-E228 HydrophobicContact CG2-CG 3.51Å; V150-A244 HydrophobicContact CG2-CB 3.98Å; V150-S247 VanDerWaalsContact O-CB 3.22Å; V150-S247 WeakPolarHBondContact O-CB 3.38Å; V150-S247 PolarHBondContact O-OG 3.15Å
151K96Very high92.8Very high77 Ų7737 Ų3734%0.33523%0.23SC..EExtended strand (participates in β ladder)trans-151.4143.7-178.5-173.6169.3-177.1170.10111.3F153 D160 L162K151-F153 HydrophobicContact CB-CE2 4.11Å; K151-F153 HydrophobicContact CB-CZ 4.29Å; K151-F153 HydrophobicContact CD-CE1 4.24Å; K151-F153 HydrophobicContact CD-CZ 4.19Å; K151-F153 HydrophobicContact CG-CE2 4.39Å; K151-F153 HydrophobicContact CG-CZ 4.35Å; K151-D160 PolarHBondContact N-O 3.47Å; K151-D160 PolarHBondContact O-N 3.23Å; K151-L162 HydrophobicContact CB-CD1 4.04Å
152C93.1Very high92.8Very high35 Ų3534.9 Ų34.924%0.23622%0.219CC..  trans-92.4134.4169.2-170.30000111.2N156 Y159C152-N156 PolarHBondContact SG-O 3.43Å; C152-Y159 HydrophobicContact CB-CD1 4.11Å; C152-Y159 HydrophobicContact CB-CD2 3.99Å; C152-Y159 HydrophobicContact CB-CE1 4.01Å; C152-Y159 HydrophobicContact CB-CE2 3.87Å; C152-Y159 HydrophobicContact CB-CG 4.11Å
153F89Confident92.8Very high76 Ų7634.9 Ų34.933%0.33322%0.22SC..  trans-114143.3-178.1-65.8-88.3000112K151 G155 N156 D160 L162K151-F153 HydrophobicContact CB-CE2 4.11Å; K151-F153 HydrophobicContact CB-CZ 4.29Å; K151-F153 HydrophobicContact CD-CE1 4.24Å; K151-F153 HydrophobicContact CD-CZ 4.19Å; K151-F153 HydrophobicContact CG-CE2 4.39Å; K151-F153 HydrophobicContact CG-CZ 4.35Å; F153-G155 VanDerWaalsContact C-N 3.3Å; F153-G155 PolarHBondContact O-N 2.97Å; F153-G155 VanDerWaalsContact O-N 3.17Å; F153-N156 VanDerWaalsContact O-CB 3.25Å; F153-N156 WeakPolarHBondContact O-CB 3.45Å; F153-N156 PolarHBondContact O-N 2.85Å; F153-D160 HydrophobicContact CD2-CB 4.39Å; F153-D160 HydrophobicContact CE2-CB 4.28Å; F153-L162 HydrophobicContact CE2-CD1 4.26Å; F153-L162 HydrophobicContact CE2-CD2 3.93Å; F153-L162 HydrophobicContact CE2-CG 4.43Å; F153-L162 HydrophobicContact CZ-CD1 3.82Å; F153-L162 HydrophobicContact CZ-CD2 3.92Å; F153-L162 HydrophobicContact CZ-CG 4.38Å
154G76.3Confident92.8Very high92 Ų9235.4 Ų35.495%0.94822%0.221SC*.THydrogen-bonded Turntrans62.226.7161.900000116.3N156G154-N156 VanDerWaalsContact C-N 3.3Å; G154-N156 PolarHBondContact O-N 3.2Å
155G71.3Confident92.6Very high80 Ų8037.8 Ų37.883%0.82523%0.233SC*.THydrogen-bonded Turntrans76.314-177.200000114.5F153F153-G155 VanDerWaalsContact C-N 3.3Å; F153-G155 PolarHBondContact O-N 2.97Å; F153-G155 VanDerWaalsContact O-N 3.17Å
156N78.7Confident92.5Very high81 Ų8138.3 Ų38.343%0.43324%0.237SC..  trans-60.9164.2167.2-163.4-3000110.3C152 F153 G154 I158C152-N156 PolarHBondContact SG-O 3.43Å; F153-N156 VanDerWaalsContact O-CB 3.25Å; F153-N156 WeakPolarHBondContact O-CB 3.45Å; F153-N156 PolarHBondContact O-N 2.85Å; G154-N156 VanDerWaalsContact C-N 3.3Å; G154-N156 PolarHBondContact O-N 3.2Å; N156-I158 PolarHBondContact ND2-O 3.33Å; N156-I158 PolarHBondContact OD1-N 3.1Å
157I83.6Confident92.1Very high142 Ų14244.1 Ų44.173%0.72828%0.276SS*.SBendtrans-102.7-19.3171.362176.4000112.1
158I91.7Very high91.9Very high46 Ų4652 Ų5224%0.23631%0.313CS..SBendtrans-96131.2-179.4-54.1177.2000109.2N156 N283 D284N156-I158 PolarHBondContact ND2-O 3.33Å; N156-I158 PolarHBondContact OD1-N 3.1Å; I158-N283 HydrophobicContact CD1-CB 4.32Å; I158-N283 HydrophobicContact CG2-CB 4.13Å; I158-D284 HydrophobicContact CG2-CB 4.11Å
159Y95.5Very high91.7Very high10 Ų1055.8 Ų55.84%0.03932%0.324CS..  trans-77.6147174.7-78.9-112.3000112.1V150 C152 E228 A230 R248 D284V150-Y159 HydrophobicContact CB-CD1 4.44Å; V150-Y159 HydrophobicContact CG2-CD1 3.97Å; C152-Y159 HydrophobicContact CB-CD1 4.11Å; C152-Y159 HydrophobicContact CB-CD2 3.99Å; C152-Y159 HydrophobicContact CB-CE1 4.01Å; C152-Y159 HydrophobicContact CB-CE2 3.87Å; C152-Y159 HydrophobicContact CB-CG 4.11Å; Y159-E228 HydrophobicContact CD1-CG 4Å; Y159-E228 HydrophobicContact CE1-CG 3.69Å; Y159-E228 WeakPolarHBondContact CE1-OE1 3.5Å; Y159-E228 WeakPolarHBondContact CE1-OE2 3.31Å; Y159-E228 PolarHBondContact OH-OE1 3.37Å; Y159-E228 VanDerWaalsContact OH-OE1 3.09Å; Y159-A230 HydrophobicContact CD2-CB 4.42Å; Y159-A230 HydrophobicContact CE2-CB 4.22Å; Y159-R248 PolarHBondContact OH-NH1 2.88Å; Y159-R248 PolarHBondContact OH-NH2 3.07Å; Y159-D284 PolarHBondContact N-OD2 3.47Å
160D96.1Very high91.7Very high13 Ų1358 Ų587%0.0733%0.333CS..EExtended strand (participates in β ladder)trans-108.5139171.2-69.8-51.6000109.7K127 K129 V150 K151 F153K127-D160 HydrophobicContact CD-CB 4.34Å; K127-D160 HydrophobicContact CG-CB 4.48Å; K127-D160 IonicContact NZ-OD2 2.95Å; K127-D160 PolarHBondContact NZ-OD2 2.7Å; K129-D160 WeakPolarHBondContact CE-OD1 3.33Å; K129-D160 IonicContact NZ-OD1 3.87Å; V150-D160 CarbonylContact C-O 3.57Å; V150-D160 VanDerWaalsContact CA-O 3.24Å; V150-D160 WeakPolarHBondContact CA-O 3.33Å; K151-D160 PolarHBondContact N-O 3.47Å; K151-D160 PolarHBondContact O-N 3.23Å; F153-D160 HydrophobicContact CD2-CB 4.39Å; F153-D160 HydrophobicContact CE2-CB 4.28Å
161Q97.8Very high91.7Very high4 Ų464.6 Ų64.62%0.01936%0.364CS..EExtended strand (participates in β ladder)trans-78.2135.7169175.6179.4-2.400109.8K127 I128 L143 A147 V150K127-Q161 WeakPolarHBondContact CA-O 3.36Å; I128-Q161 HydrophobicContact CD1-CG 4.08Å; I128-Q161 HydrophobicContact CG1-CB 4.27Å; I128-Q161 HydrophobicContact CG1-CG 3.78Å; I128-Q161 PolarHBondContact N-O 3.12Å; L143-Q161 HydrophobicContact CB-CB 4.31Å; L143-Q161 HydrophobicContact CD2-CB 3.8Å; L143-Q161 HydrophobicContact CG-CB 4.42Å; A147-Q161 HydrophobicContact CB-CB 4.47Å; A147-Q161 HydrophobicContact CB-CG 3.8Å; V150-Q161 HydrophobicContact CG1-CB 4.18Å
162L97.9Very high91.7Very high6 Ų664 Ų643%0.03136%0.364CS..EExtended strand (participates in β ladder)trans-112.4136.5175.8-60.1179.5000108.9L125 S126 K127 Y149 K151 F153 Y164L125-L162 HydrophobicContact CD2-CB 4.37Å; L125-L162 HydrophobicContact CD2-CD1 4.12Å; S126-L162 WeakPolarHBondContact O-CA 3.44Å; K127-L162 HydrophobicContact CB-CD2 4.43Å; K127-L162 HydrophobicContact CG-CD2 3.69Å; Y149-L162 HydrophobicContact CD1-CB 3.93Å; Y149-L162 HydrophobicContact CD1-CD1 3.85Å; Y149-L162 HydrophobicContact CD1-CG 4.42Å; Y149-L162 HydrophobicContact CE1-CD1 3.62Å; Y149-L162 PolarHBondContact O-N 3.33Å; Y149-L162 VanDerWaalsContact O-N 3.1Å; K151-L162 HydrophobicContact CB-CD1 4.04Å; F153-L162 HydrophobicContact CE2-CD1 4.26Å; F153-L162 HydrophobicContact CE2-CD2 3.93Å; F153-L162 HydrophobicContact CE2-CG 4.43Å; F153-L162 HydrophobicContact CZ-CD1 3.82Å; F153-L162 HydrophobicContact CZ-CD2 3.92Å; F153-L162 HydrophobicContact CZ-CG 4.38Å; L162-Y164 PolarHBondContact O-N 3.07Å
163L97.8Very high92Very high5 Ų569.1 Ų69.13%0.02638%0.382CS..  trans-64.5111.6171.9-176.867.5000109.5V65 V67 I73 I122 H124 L125 S126 I128 N165V65-L163 HydrophobicContact CG1-CD1 3.74Å; V67-L163 HydrophobicContact CG2-CD1 4.3Å; V67-L163 HydrophobicContact CG2-CD2 4.11Å; I73-L163 HydrophobicContact CD1-CD2 4.26Å; I122-L163 HydrophobicContact CB-CD2 3.67Å; I122-L163 HydrophobicContact CG2-CB 4.27Å; I122-L163 HydrophobicContact CG2-CD2 3.67Å; I122-L163 VanDerWaalsContact O-CD2 3.29Å; I122-L163 WeakPolarHBondContact O-CD2 3.32Å; H124-L163 PolarHBondContact ND1-O 2.8Å; H124-L163 VanDerWaalsContact ND1-O 3.13Å; L125-L163 PolarHBondContact N-O 3.07Å; S126-L163 PolarHBondContact O-N 2.73Å; I128-L163 HydrophobicContact CD1-CB 4.34Å; I128-L163 HydrophobicContact CD1-CD1 4.4Å; L163-N165 PolarHBondContact O-N 3.29Å
164Y96.3Very high92.4Very high22 Ų2270.1 Ų70.19%0.08638%0.384CS..  trans-95.694.6-178.1-158.2-104.8000111.1H124 Y149 L162 P166 P252 E253H124-Y164 AromaticContact CE1-CD2 3.62Å; H124-Y164 AromaticContact CE1-CE2 3.75Å; Y149-Y164 AromaticContact CD1-CD2 3.5Å; Y149-Y164 HydrophobicContact CD1-CD2 3.5Å; Y149-Y164 AromaticContact CD1-CE2 3.98Å; Y149-Y164 HydrophobicContact CD1-CE2 3.98Å; Y149-Y164 HydrophobicContact CE1-CD2 4.28Å; Y149-Y164 HydrophobicContact CE1-CE2 4.37Å; Y149-Y164 AromaticContact CG-CD2 3.67Å; Y149-Y164 HydrophobicContact CG-CD2 3.67Å; Y149-Y164 HydrophobicContact CG-CE2 4.13Å; Y149-Y164 HydrophobicContact CG-CG 4.39Å; L162-Y164 PolarHBondContact O-N 3.07Å; Y164-P166 HydrophobicContact CD1-CG 4.39Å; Y164-P166 HydrophobicContact CE1-CG 3.83Å; Y164-P252 HydrophobicContact CD1-CG 4.5Å; Y164-P252 HydrophobicContact CD2-CG 4.44Å; Y164-P252 HydrophobicContact CE1-CB 3.83Å; Y164-P252 HydrophobicContact CE1-CG 3.88Å; Y164-P252 HydrophobicContact CE2-CB 4.5Å; Y164-P252 HydrophobicContact CE2-CG 3.84Å; Y164-P252 WeakPolarHBondContact OH-CB 3.33Å; Y164-P252 WeakPolarHBondContact OH-CD 3.3Å; Y164-E253 WeakPolarHBondContact OH-CG 3.27Å; Y164-E253 PolarHBondContact OH-OE1 2.62Å
165N95.5Very high93.4Very high51 Ų5170.8 Ų70.827%0.27337%0.372SS..  trans-139.167.1175.6-173.239.6000109.6V67 H124 L163V67-N165 HydrophobicContact CG2-CB 3.96Å; H124-N165 WeakPolarHBondContact CB-O 3.3Å; H124-N165 PolarHBondContact ND1-N 2.77Å; H124-N165 VanDerWaalsContact ND1-N 3.13Å; L163-N165 PolarHBondContact O-N 3.29Å
166P95.2Very high94.6Very high14 Ų1469.9 Ų69.99%0.09135%0.346CS..  trans-62.4143.2-175.828.5-35.9000110.6Y164 E168 R169Y164-P166 HydrophobicContact CD1-CG 4.39Å; Y164-P166 HydrophobicContact CE1-CG 3.83Å; P166-E168 PolarHBondContact O-N 2.87Å; P166-R169 HydrophobicContact CG-CG 3.78Å
167P91.8Very high95.5Very high134 Ų13466.5 Ų66.587%0.8733%0.328SS*.SBendtrans-58.9-30.6178.2-24.933.8000113.8
168E92.5Very high96Very high168 Ų16865.2 Ų65.279%0.78533%0.329SS*.SBendtrans-131.1128.1175.3-173.5175.2-17200108.8P166P166-E168 PolarHBondContact O-N 2.87Å
169R94.8Very high96.1Very high104 Ų10467.6 Ų67.639%0.39234%0.335SS..PPolyproline II helixtrans-102135.6174.2-72.3-175.4179.4-141.93.2110P166 Q171 E334P166-R169 HydrophobicContact CG-CG 3.78Å; R169-Q171 PolarHBondContact O-N 3.47Å; R169-Q171 PolarHBondContact O-NE2 3.48Å; R169-E334 IonicContact NH1-OE2 2.7Å
170Y97.3Very high96.1Very high58 Ų5868.3 Ų68.323%0.22734%0.341CS..PPolyproline II helixtrans-59.6124.4172.6-171.5-79.4000110.1L172 K173 E253 R256 A257 D260Y170-L172 HydrophobicContact CD1-CD2 4.33Å; Y170-L172 HydrophobicContact CE1-CD2 4.27Å; Y170-K173 WeakPolarHBondContact OH-CE 3.27Å; Y170-K173 PolarHBondContact OH-NZ 2.86Å; Y170-E253 WeakPolarHBondContact CB-OE2 3.38Å; Y170-E253 PolarHBondContact N-OE2 3.49Å; Y170-R256 HydrophobicContact CD1-CB 3.73Å; Y170-R256 HydrophobicContact CG-CB 4.04Å; Y170-A257 HydrophobicContact CD2-CB 3.99Å; Y170-A257 HydrophobicContact CE2-CB 3.68Å; Y170-D260 HydrophobicContact CE1-CB 3.85Å; Y170-D260 VanDerWaalsContact CE1-OD2 3.32Å; Y170-D260 WeakPolarHBondContact CE1-OD2 3.06Å; Y170-D260 PolarHBondContact OH-OD2 3.41Å
171Q97Very high96Very high139 Ų13976.6 Ų76.665%0.6538%0.376SS*.PPolyproline II helixtrans-94.6121.2174.9-57.2-57.4-58.100109.1R169 K173R169-Q171 PolarHBondContact O-N 3.47Å; R169-Q171 PolarHBondContact O-NE2 3.48Å; Q171-K173 WeakPolarHBondContact O-CG 3.48Å; Q171-K173 PolarHBondContact O-N 3.13Å
172L97.1Very high95.9Very high65 Ų6576.8 Ų76.834%0.3438%0.378SS..PPolyproline II helixtrans-59.9131.2173.4-60.8177.3000109.5Y170 R256 D260Y170-L172 HydrophobicContact CD1-CD2 4.33Å; Y170-L172 HydrophobicContact CE1-CD2 4.27Å; L172-R256 HydrophobicContact CD2-CB 4.22Å; L172-D260 HydrophobicContact CD2-CB 3.91Å
173K98Very high95.9Very high141 Ų14176.5 Ų76.561%0.61338%0.377SS*.  trans-106.2-31.3-171.2-59.5168.9-168.3152.40111.4Y170 Q171 D260Y170-K173 WeakPolarHBondContact OH-CE 3.27Å; Y170-K173 PolarHBondContact OH-NZ 2.86Å; Q171-K173 WeakPolarHBondContact O-CG 3.48Å; Q171-K173 PolarHBondContact O-N 3.13Å; K173-D260 WeakPolarHBondContact CB-OD2 3.32Å; K173-D260 PolarHBondContact N-OD1 3.35Å; K173-D260 PolarHBondContact N-OD2 3.08Å
174Y98.2Very high95.9Very high98 Ų9876.8 Ų76.838%0.38438%0.377SS..SBendtrans-101.9141.8-176.7-59.1-74.4000110.3D260 R264Y174-D260 VanDerWaalsContact CD2-O 3.26Å; Y174-D260 WeakPolarHBondContact CD2-O 3.13Å; Y174-D260 WeakPolarHBondContact CD2-OD1 3.33Å; Y174-D260 PolarHBondContact N-OD1 3.12Å; Y174-R264 HydrophobicContact CD1-CB 4.27Å; Y174-R264 HydrophobicContact CD1-CG 4.23Å; Y174-R264 HydrophobicContact CD2-CB 3.69Å; Y174-R264 HydrophobicContact CD2-CG 4.21Å; Y174-R264 HydrophobicContact CE1-CB 4.19Å; Y174-R264 HydrophobicContact CE1-CG 3.71Å; Y174-R264 HydrophobicContact CE2-CB 3.58Å; Y174-R264 HydrophobicContact CE2-CG 3.68Å; Y174-R264 HydrophobicContact CG-CB 4.04Å; Y174-R264 HydrophobicContact CG-CG 4.47Å; Y174-R264 VanDerWaalsContact OH-CD 3.26Å; Y174-R264 WeakPolarHBondContact OH-CD 3.43Å
175P96.8Very high96Very high106 Ų10675.7 Ų75.769%0.68837%0.373SS*.PPolyproline II helixtrans-71.5159.317332.2-35.1000110.3
176H97.9Very high96.2Very high60 Ų6073.4 Ų73.428%0.27836%0.361SS..PPolyproline II helixtrans-49.2131.4167.1-66.4-85.3000110.6H263 G336 D338 F392H176-H263 AromaticContact ND1-CE1 3.86Å; H176-G336 PolarHBondContact CE1-O 3.14Å; H176-G336 PolarHBondContact ND1-O 2.85Å; H176-D338 IonicContact CE1-OD1 2.78Å; H176-D338 IonicContact CG-OD1 3.76Å; H176-D338 IonicContact ND1-OD1 2.62Å; H176-D338 PolarHBondContact ND1-OD1 3.08Å; H176-F392 HydrophobicContact CB-CD1 4.2Å; H176-F392 HydrophobicContact CB-CD2 4.21Å; H176-F392 HydrophobicContact CB-CE1 4.2Å; H176-F392 HydrophobicContact CB-CE2 4.23Å; H176-F392 HydrophobicContact CB-CG 4.2Å; H176-F392 HydrophobicContact CB-CZ 4.22Å; H176-F392 AromaticContact CD2-CE1 3.77Å; H176-F392 AromaticContact CD2-CZ 3.51Å; H176-F392 AromaticContact CE1-CE2 3.71Å; H176-F392 AromaticContact CE1-CZ 3.58Å; H176-F392 AromaticContact CG-CE1 3.89Å; H176-F392 AromaticContact CG-CE2 3.72Å; H176-F392 AromaticContact CG-CZ 3.54Å; H176-F392 AromaticContact ND1-CE2 3.44Å; H176-F392 WeakPolarHBondContact ND1-CE2 3.49Å; H176-F392 AromaticContact ND1-CZ 3.59Å; H176-F392 AromaticContact NE2-CZ 3.54Å
177P96.2Very high96.3Very high10 Ų1072.8 Ų72.87%0.06536%0.357CS..PPolyproline II helixtrans-61.8150.3174.925.5-33.8000110.6H263 V268P177-H263 WeakPolarHBondContact CD-CD2 3.44Å; P177-V268 HydrophobicContact CB-CG2 4.42Å; P177-V268 HydrophobicContact CG-CB 4.44Å; P177-V268 HydrophobicContact CG-CG2 3.84Å
178P93.9Very high96.6Very high115 Ų11566.4 Ų66.475%0.74732%0.315SS*.PPolyproline II helixtrans-63.2143.4174.628.2-34.2000110.1P180P178-P180 WeakPolarHBondContact O-CD 3.4Å; P178-P180 VanDerWaalsContact O-N 3.13Å
179R95.2Very high96.9Very high96 Ų9658.4 Ų58.436%0.36228%0.278SS..PPolyproline II helixtrans-53119.6174.6-178.9169.3172.3161.1-5.9109.9I393 I394 D418R179-I393 PolarHBondContact NH1-O 3.4Å; R179-I394 HydrophobicContact CG-CD1 4.21Å; R179-I394 HydrophobicContact CG-CG1 4.22Å; R179-D418 IonicContact CZ-OD1 3.34Å; R179-D418 IonicContact CZ-OD2 4Å; R179-D418 IonicContact NH1-OD1 3.85Å; R179-D418 PolarHBondContact NH1-OD1 2.81Å; R179-D418 IonicContact NH1-OD2 2.73Å; R179-D418 PolarHBondContact NH1-OD2 3.15Å; R179-D418 IonicContact NH2-OD1 3.03Å; R179-D418 PolarHBondContact NH2-OD1 2.63Å; R179-D418 IonicContact NH2-OD2 3.12Å
180P95.3Very high97.1Very high25 Ų2553.5 Ų53.516%0.16226%0.259CS..PPolyproline II helixtrans-68.6147.8-17828.1-35000110.3P178 S182 L183 V268 I394P178-P180 WeakPolarHBondContact O-CD 3.4Å; P178-P180 VanDerWaalsContact O-N 3.13Å; P180-S182 VanDerWaalsContact C-N 3.35Å; P180-L183 HydrophobicContact CG-CD1 3.76Å; P180-V268 HydrophobicContact CG-CG2 4.22Å; P180-I394 HydrophobicContact CG-CD1 4.42Å
181K92.8Very high97.1Very high187 Ų18750.7 Ų50.781%0.81325%0.248SC*.SBendtrans-67-39.5174.7-66.3-177.3-179.8178.60111.8A584K181-A584 HydrophobicContact CB-CB 4.19Å; K181-A584 VanDerWaalsContact O-CB 3.31Å; K181-A584 WeakPolarHBondContact O-CB 3.36Å
182S95.5Very high97.1Very high8 Ų844.1 Ų44.16%0.05622%0.218CC..SBendtrans-119.7124178.4-69.30000108.6P180 N219 E577 A584P180-S182 VanDerWaalsContact C-N 3.35Å; S182-N219 PolarHBondContact O-ND2 3.45Å; S182-E577 WeakPolarHBondContact CB-OE1 3.46Å; S182-E577 WeakPolarHBondContact CB-OE2 3.41Å; S182-E577 PolarHBondContact OG-OE1 3.43Å; S182-A584 WeakPolarHBondContact OG-CB 3.27Å; S182-A584 PolarHBondContact OG-N 3.14Å
183L97.9Very high97.1Very high0 Ų041 Ų410%020%0.202CC..EExtended strand (participates in β ladder)trans-91.7113.7-177.8-166.263000110.4P180 I185 A220 I394 I396 Y419 I460 G520 Y521P180-L183 HydrophobicContact CG-CD1 3.76Å; L183-I185 HydrophobicContact CD1-CG1 4.29Å; L183-I185 HydrophobicContact CD2-CD1 3.64Å; L183-I185 HydrophobicContact CD2-CG1 3.9Å; L183-I185 HydrophobicContact CG-CD1 3.93Å; L183-I185 HydrophobicContact CG-CG1 3.59Å; L183-A220 HydrophobicContact CD1-CB 3.62Å; L183-I394 HydrophobicContact CD1-CD1 3.84Å; L183-I394 HydrophobicContact CD2-CD1 4.44Å; L183-I394 HydrophobicContact CD2-CG2 4.01Å; L183-I396 HydrophobicContact CD2-CD1 4.06Å; L183-Y419 HydrophobicContact CD2-CD2 4.33Å; L183-Y419 HydrophobicContact CD2-CE2 4.06Å; L183-I460 HydrophobicContact CD2-CD1 4.01Å; L183-G520 CarbonylContact O-C 3.47Å; L183-G520 VanDerWaalsContact O-CA 3.26Å; L183-G520 WeakPolarHBondContact O-CA 3.49Å; L183-Y521 PolarHBondContact O-N 2.84Å
184R98.5Very high97Very high11 Ų1135 Ų354%0.04218%0.177CC..EExtended strand (participates in β ladder)trans-116.394177.4-62.3179.1-55.5-109.210.6108.2G217 Y218 N219 A220 E577 E578 L583R184-G217 PolarHBondContact NE-O 2.89Å; R184-G217 PolarHBondContact NH2-O 3.2Å; R184-G217 VanDerWaalsContact NH2-O 3.11Å; R184-Y218 HydrophobicContact CB-CD1 4.25Å; R184-N219 PolarHBondContact N-OD1 2.85Å; R184-N219 PolarHBondContact O-N 3.46Å; R184-N219 VanDerWaalsContact O-N 3.15Å; R184-N219 PolarHBondContact O-OD1 2.97Å; R184-A220 PolarHBondContact O-N 3.11Å; R184-A220 VanDerWaalsContact O-N 3.15Å; R184-E577 VanDerWaalsContact CD-OE2 3.25Å; R184-E577 WeakPolarHBondContact CD-OE2 3.47Å; R184-E577 IonicContact CZ-OE2 3.97Å; R184-E577 IonicContact NE-OE2 3.15Å; R184-E577 IonicContact NH1-OE2 3.5Å; R184-E577 PolarHBondContact NH1-OE2 2.96Å; R184-E578 IonicContact CZ-OE2 3.08Å; R184-E578 VanDerWaalsContact NH1-CA 3.28Å; R184-E578 IonicContact NH2-OE2 3.57Å; R184-E578 PolarHBondContact NH2-OE2 3.46Å; R184-L583 HydrophobicContact CG-CD1 3.83Å
185I98.8Very high96.9Very high0 Ų031.7 Ų31.70%017%0.168CC..EExtended strand (participates in β ladder)trans-92.2130-170-48.3175.3000110.2L183 A220 Q222 L270 I396 I460 Y521 L522 N523L183-I185 HydrophobicContact CD1-CG1 4.29Å; L183-I185 HydrophobicContact CD2-CD1 3.64Å; L183-I185 HydrophobicContact CD2-CG1 3.9Å; L183-I185 HydrophobicContact CG-CD1 3.93Å; L183-I185 HydrophobicContact CG-CG1 3.59Å; I185-A220 CarbonylContact C-O 3.55Å; I185-A220 WeakPolarHBondContact CA-O 3.38Å; I185-A220 HydrophobicContact CG1-CB 4.29Å; I185-Q222 HydrophobicContact CG2-CB 3.6Å; I185-L270 HydrophobicContact CD1-CD1 4.31Å; I185-I396 HydrophobicContact CD1-CD1 3.54Å; I185-I460 HydrophobicContact CD1-CD1 4.13Å; I185-I460 HydrophobicContact CD1-CG1 4.28Å; I185-I460 HydrophobicContact CD1-CG2 4.07Å; I185-Y521 PolarHBondContact N-O 2.87Å; I185-L522 HydrophobicContact CB-CB 4.17Å; I185-L522 HydrophobicContact CB-CD1 4.47Å; I185-L522 HydrophobicContact CB-CG 4.36Å; I185-L522 HydrophobicContact CG2-CD1 4.18Å; I185-L522 HydrophobicContact CG2-CG 4.4Å; I185-L522 WeakPolarHBondContact O-CA 3.48Å; I185-N523 PolarHBondContact O-N 2.77Å
186Y98.8Very high96.9Very high2 Ų232.2 Ų32.21%0.00816%0.162CC..EExtended strand (participates in β ladder)trans-101.6103165.2-164.8-89.2000109C188 I213 L216 Y218 A220 I221 Q222 N523 M525 E528Y186-C188 HydrophobicContact CD1-CB 4.03Å; Y186-C188 HydrophobicContact CE1-CB 4.24Å; Y186-I213 HydrophobicContact CD1-CD1 3.46Å; Y186-I213 VanDerWaalsContact CD1-CD1 3.46Å; Y186-I213 HydrophobicContact CD1-CG1 3.69Å; Y186-I213 HydrophobicContact CD2-CG1 4.41Å; Y186-I213 HydrophobicContact CE1-CD1 3.81Å; Y186-I213 HydrophobicContact CE1-CG1 3.84Å; Y186-I213 HydrophobicContact CG-CD1 4.11Å; Y186-I213 HydrophobicContact CG-CG1 3.98Å; Y186-I213 HydrophobicContact CG-CG2 4.23Å; Y186-L216 HydrophobicContact CE2-CD1 4.29Å; Y186-Y218 HydrophobicContact CD2-CD1 4.34Å; Y186-Y218 AromaticContact CD2-CD2 3.67Å; Y186-Y218 HydrophobicContact CD2-CD2 3.67Å; Y186-Y218 HydrophobicContact CD2-CE1 4.25Å; Y186-Y218 AromaticContact CD2-CE2 3.58Å; Y186-Y218 HydrophobicContact CD2-CE2 3.58Å; Y186-Y218 HydrophobicContact CD2-CG 4.08Å; Y186-Y218 AromaticContact CD2-CZ 3.9Å; Y186-Y218 HydrophobicContact CE2-CD2 4.5Å; Y186-Y218 HydrophobicContact CE2-CE2 4.16Å; Y186-Y218 HydrophobicContact CG-CD2 4.4Å; Y186-Y218 HydrophobicContact CG-CG 4.45Å; Y186-A220 PolarHBondContact N-O 2.99Å; Y186-I221 VanDerWaalsContact O-CA 3.32Å; Y186-I221 WeakPolarHBondContact O-CA 3.2Å; Y186-Q222 PolarHBondContact O-N 2.92Å; Y186-Q222 VanDerWaalsContact O-N 3.07Å; Y186-N523 CarbonylContact C-O 3.56Å; Y186-M525 HydrophobicContact CD1-CB 4.44Å; Y186-M525 HydrophobicContact CE1-CB 3.47Å; Y186-M525 VanDerWaalsContact CE1-CB 3.47Å; Y186-M525 WeakPolarHBondContact OH-CA 3.41Å; Y186-M525 WeakPolarHBondContact OH-CB 3.21Å; Y186-E528 HydrophobicContact CE2-CG 4.4Å; Y186-E528 VanDerWaalsContact OH-CD 3.25Å; Y186-E528 PolarHBondContact OH-OE1 3.48Å; Y186-E528 PolarHBondContact OH-OE2 3.44Å
187E98.6Very high96.7Very high2 Ų232 Ų321%0.00917%0.165CC..EExtended strand (participates in β ladder)trans-74.2124.4177.1-179.8-171-137.300109.4Q222 M224 C465 H466 L522 N523 F524 M525E187-Q222 WeakPolarHBondContact CA-O 3.18Å; E187-M224 HydrophobicContact CG-CE 4.41Å; E187-M224 HydrophobicContact CG-SD 4.12Å; E187-C465 VanDerWaalsContact OE2-CA 3.27Å; E187-C465 WeakPolarHBondContact OE2-CA 3.2Å; E187-C465 VanDerWaalsContact OE2-CB 3.27Å; E187-C465 WeakPolarHBondContact OE2-CB 3.41Å; E187-H466 IonicContact OE1-CE1 3.46Å; E187-H466 IonicContact OE1-CG 3.85Å; E187-H466 IonicContact OE1-ND1 3.34Å; E187-H466 PolarHBondContact OE1-ND1 3.31Å; E187-H466 PolarHBondContact OE2-N 3.42Å; E187-H466 VanDerWaalsContact OE2-N 3.16Å; E187-H466 IonicContact OE2-ND1 3.71Å; E187-L522 HydrophobicContact CB-CD1 4.03Å; E187-L522 HydrophobicContact CB-CD2 3.94Å; E187-L522 HydrophobicContact CB-CG 3.94Å; E187-N523 PolarHBondContact N-O 3.04Å; E187-F524 HydrophobicContact CB-CD2 4.17Å; E187-F524 HydrophobicContact CG-CD2 3.87Å; E187-F524 HydrophobicContact CG-CE2 4.43Å; E187-F524 WeakPolarHBondContact OE2-CD2 3.32Å; E187-M525 PolarHBondContact O-N 2.96Å
188C98.2Very high96.7Very high0 Ų035 Ų350%018%0.184CC..EExtended strand (participates in β ladder)trans-144163.7-170.867.10000113.4Y186 F205 Q222 I223 M224 M525Y186-C188 HydrophobicContact CD1-CB 4.03Å; Y186-C188 HydrophobicContact CE1-CB 4.24Å; C188-F205 HydrophobicContact CB-CE2 4.04Å; C188-F205 HydrophobicContact CB-CZ 4Å; C188-F205 VanDerWaalsContact SG-CZ 3.51Å; C188-Q222 PolarHBondContact N-O 3Å; C188-I223 WeakPolarHBondContact O-CA 3.35Å; C188-M224 PolarHBondContact O-N 2.85Å; C188-M525 HydrophobicContact CB-SD 3.93Å
189H98Very high96.8Very high0 Ų031.5 Ų31.50%016%0.16CC..EExtended strand (participates in β ladder)trans-139.5122.5175.9174.4-59.5000108.8G191 I192 M224 A225 Y232 F249 M525 F537H189-G191 PolarHBondContact CE1-N 2.9Å; H189-G191 PolarHBondContact ND1-N 3.18Å; H189-G191 PolarHBondContact O-N 3.16Å; H189-I192 HydrophobicContact CB-CD1 4.04Å; H189-I192 HydrophobicContact CB-CG1 3.82Å; H189-I192 PolarHBondContact ND1-N 2.94Å; H189-I192 WeakPolarHBondContact O-CG1 3.32Å; H189-I192 PolarHBondContact O-N 2.8Å; H189-M224 HydrophobicContact CB-CE 3.85Å; H189-A225 VanDerWaalsContact CD2-CB 3.44Å; H189-A225 WeakPolarHBondContact CD2-CB 3.44Å; H189-A225 VanDerWaalsContact NE2-CB 3.32Å; H189-A225 WeakPolarHBondContact NE2-CB 3.39Å; H189-Y232 AromaticContact CE1-CE2 3.89Å; H189-Y232 PolarHBondContact CE1-OH 3.45Å; H189-F249 AromaticContact CE1-CE1 3.96Å; H189-F249 AromaticContact CE1-CZ 3.62Å; H189-M525 HydrophobicContact CB-SD 4.44Å; H189-M525 PolarHBondContact N-SD 3.22Å; H189-F537 AromaticContact CD2-CZ 3.95Å; H189-F537 AromaticContact CE1-CE1 3.85Å; H189-F537 AromaticContact CE1-CZ 3.89Å; H189-F537 AromaticContact NE2-CE1 3.6Å; H189-F537 AromaticContact NE2-CZ 3.66Å
190I98.5Very high96.9Very high0 Ų027.2 Ų27.20%015%0.145CC..G310 helixtrans-55.8-51.9-172.3-53.5-52.8000111.2I192 S193 A200 Y202 F205 I223 L226 F249 M258I190-I192 VanDerWaalsContact C-N 3.26Å; I190-I192 PolarHBondContact O-N 3.4Å; I190-I192 VanDerWaalsContact O-N 3.1Å; I190-S193 WeakPolarHBondContact O-CB 3.23Å; I190-S193 PolarHBondContact O-N 3.48Å; I190-S193 VanDerWaalsContact O-N 3.12Å; I190-S193 PolarHBondContact O-OG 3.16Å; I190-S193 VanDerWaalsContact O-OG 3.08Å; I190-A200 WeakPolarHBondContact O-CB 3.49Å; I190-Y202 HydrophobicContact CG1-CD1 4.15Å; I190-Y202 HydrophobicContact CG1-CE1 4.11Å; I190-Y202 HydrophobicContact CG2-CD1 3.92Å; I190-Y202 HydrophobicContact CG2-CE1 4.35Å; I190-F205 HydrophobicContact CD1-CB 4.05Å; I190-F205 HydrophobicContact CD1-CD1 3.9Å; I190-F205 HydrophobicContact CD1-CD2 3.53Å; I190-F205 HydrophobicContact CD1-CE1 4.23Å; I190-F205 HydrophobicContact CD1-CE2 3.89Å; I190-F205 HydrophobicContact CD1-CG 3.55Å; I190-F205 HydrophobicContact CD1-CZ 4.24Å; I190-F205 HydrophobicContact CG2-CB 4.23Å; I190-I223 HydrophobicContact CD1-CG2 3.74Å; I190-I223 HydrophobicContact CG1-CG2 3.79Å; I190-L226 HydrophobicContact CG1-CD2 3.86Å; I190-F249 HydrophobicContact CB-CB 4.4Å; I190-F249 HydrophobicContact CB-CD1 4.27Å; I190-F249 HydrophobicContact CB-CD2 3.78Å; I190-F249 HydrophobicContact CB-CE2 4.08Å; I190-F249 HydrophobicContact CB-CG 3.89Å; I190-F249 HydrophobicContact CB-CZ 4.49Å; I190-F249 HydrophobicContact CG1-CD2 4.21Å; I190-F249 HydrophobicContact CG2-CB 3.8Å; I190-F249 HydrophobicContact CG2-CD1 4.26Å; I190-F249 HydrophobicContact CG2-CD2 4.14Å; I190-F249 HydrophobicContact CG2-CG 3.81Å; I190-M258 HydrophobicContact CD1-CE 3.42Å; I190-M258 VanDerWaalsContact CD1-CE 3.42Å; I190-M258 HydrophobicContact CD1-SD 4.4Å; I190-M258 HydrophobicContact CG1-CE 4.05Å
191G97.3Very high97.1Very high0 Ų027.9 Ų27.90%015%0.15CC..G310 helixtrans-61.9-22.6-174.300000116.7H189 V199 A200 F249H189-G191 PolarHBondContact CE1-N 2.9Å; H189-G191 PolarHBondContact ND1-N 3.18Å; H189-G191 PolarHBondContact O-N 3.16Å; G191-V199 WeakPolarHBondContact O-CA 3.38Å; G191-A200 PolarHBondContact O-N 3.34Å; G191-F249 VanDerWaalsContact CA-CE1 3.48Å
192I96.5Very high97.4Very high1 Ų119 Ų191%0.00511%0.112CC..G310 helixtrans-102.56.3-178.464.9168.3000112.2H189 I190 S194 F524 M525 L535 F537 A549 R550 R551H189-I192 HydrophobicContact CB-CD1 4.04Å; H189-I192 HydrophobicContact CB-CG1 3.82Å; H189-I192 PolarHBondContact ND1-N 2.94Å; H189-I192 WeakPolarHBondContact O-CG1 3.32Å; H189-I192 PolarHBondContact O-N 2.8Å; I190-I192 VanDerWaalsContact C-N 3.26Å; I190-I192 PolarHBondContact O-N 3.4Å; I190-I192 VanDerWaalsContact O-N 3.1Å; I192-S194 PolarHBondContact O-N 2.84Å; I192-F524 HydrophobicContact CD1-CZ 4.34Å; I192-M525 HydrophobicContact CD1-CE 4.34Å; I192-M525 HydrophobicContact CD1-CG 4.37Å; I192-M525 HydrophobicContact CD1-SD 3.8Å; I192-M525 HydrophobicContact CG1-CE 3.9Å; I192-M525 HydrophobicContact CG1-SD 3.76Å; I192-L535 HydrophobicContact CD1-CD1 3.89Å; I192-L535 HydrophobicContact CD1-CD2 3.96Å; I192-F537 HydrophobicContact CG2-CE1 4.17Å; I192-F537 HydrophobicContact CG2-CE2 3.69Å; I192-F537 HydrophobicContact CG2-CZ 3.43Å; I192-F537 VanDerWaalsContact CG2-CZ 3.43Å; I192-A549 HydrophobicContact CG2-CB 4.2Å; I192-A549 WeakPolarHBondContact CG2-O 3.14Å; I192-R550 CarbonylContact O-C 3.55Å; I192-R550 WeakPolarHBondContact O-CA 3.16Å; I192-R551 PolarHBondContact O-N 3.48Å; I192-R551 VanDerWaalsContact O-N 3.11Å
193S97.5Very high97.5Very high0 Ų020.3 Ų20.30%012%0.121CC..  trans-79.9-2.3-172.183.70000114.4I190 H204 I209 W553I190-S193 WeakPolarHBondContact O-CB 3.23Å; I190-S193 PolarHBondContact O-N 3.48Å; I190-S193 VanDerWaalsContact O-N 3.12Å; I190-S193 PolarHBondContact O-OG 3.16Å; I190-S193 VanDerWaalsContact O-OG 3.08Å; S193-H204 PolarHBondContact OG-CD2 3.35Å; S193-I209 VanDerWaalsContact O-CD1 3.25Å; S193-I209 WeakPolarHBondContact O-CD1 3.11Å; S193-W553 PolarHBondContact O-NE1 3.42Å
194S96.7Very high97.6Very high13 Ų1322.7 Ų22.79%0.09113%0.132CC..SBendtrans-92.4156.8176.7-176.60000111.4I192 E196 R550 R551I192-S194 PolarHBondContact O-N 2.84Å; S194-E196 VanDerWaalsContact C-N 3.3Å; S194-E196 PolarHBondContact OG-N 3.18Å; S194-R550 WeakPolarHBondContact O-CB 3.32Å; S194-R551 CarbonylContact C-O 3.47Å; S194-R551 PolarHBondContact O-N 3.39Å
195S96.4Very high97.6Very high29 Ų2922.1 Ų22.120%0.20313%0.13CC..SBendtrans-74.8-23.1164.4-61.60000113R550 R551 W553S195-R550 WeakPolarHBondContact O-CD 3.36Å; S195-R550 PolarHBondContact O-NH1 2.84Å; S195-R551 WeakPolarHBondContact CA-O 3.22Å; S195-R551 PolarHBondContact N-O 3.38Å; S195-R551 PolarHBondContact OG-O 3.2Å; S195-W553 WeakPolarHBondContact OG-CB 3.48Å; S195-W553 VanDerWaalsContact OG-CD1 3.29Å; S195-W553 PolarHBondContact OG-N 3.39Å
196E96.1Very high97.6Very high118 Ų11824.5 Ų24.555%0.55114%0.14SC*.SBendtrans-78.5144177.3-62.9-54.3140.700110.3S194 V198S194-E196 VanDerWaalsContact C-N 3.3Å; S194-E196 PolarHBondContact OG-N 3.18Å; E196-V198 HydrophobicContact CB-CG2 3.86Å; E196-V198 PolarHBondContact O-N 2.93Å
197P94.9Very high97.6Very high54 Ų5428.9 Ų28.935%0.35116%0.164SC..SBendtrans-76.261.5177.834.6-36.6000110.7Y546P197-Y546 WeakPolarHBondContact O-CB 3.29Å
198V95.3Very high97.6Very high75 Ų7532.5 Ų32.546%0.45518%0.183SC..SBendtrans-139.7161.4-179.3-58.70000109.3E196 A200E196-V198 HydrophobicContact CB-CG2 3.86Å; E196-V198 PolarHBondContact O-N 2.93Å; V198-A200 PolarHBondContact O-N 3.48Å
199V96.1Very high97.6Very high40 Ų4032.6 Ų32.624%0.24218%0.183CC..  trans-70.8113.4169-175.60000109.1G191 Y232 R248 F249 Y546G191-V199 WeakPolarHBondContact O-CA 3.38Å; V199-Y232 HydrophobicContact CG2-CE1 4.07Å; V199-R248 HydrophobicContact CG1-CB 4.18Å; V199-F249 HydrophobicContact CG1-CD1 3.5Å; V199-F249 HydrophobicContact CG1-CE1 3.69Å; V199-Y546 HydrophobicContact CG2-CD1 4.24Å; V199-Y546 HydrophobicContact CG2-CE1 3.46Å; V199-Y546 VanDerWaalsContact CG2-CE1 3.46Å
200A98.1Very high97.6Very high6 Ų632.6 Ų32.65%0.0518%0.183CC..  trans-72.6155.3175.200000112I190 G191 V198 H204I190-A200 WeakPolarHBondContact O-CB 3.49Å; G191-A200 PolarHBondContact O-N 3.34Å; V198-A200 PolarHBondContact O-N 3.48Å; A200-H204 HydrophobicContact CB-CB 4.45Å
201S98.5Very high97.6Very high40 Ų4035.5 Ų35.528%0.2820%0.202SC..  trans-97.4164.5-176.766.10000113.8S203 H204 F205 F249S201-S203 PolarHBondContact O-N 2.99Å; S201-H204 WeakPolarHBondContact O-CB 3.45Å; S201-H204 PolarHBondContact O-N 2.98Å; S201-H204 VanDerWaalsContact O-N 3.15Å; S201-H204 WeakPolarHBondContact OG-CB 3.43Å; S201-H204 PolarHBondContact OG-N 2.93Å; S201-F205 PolarHBondContact O-N 3.46Å; S201-F249 CarbonylContact C-O 3.56Å; S201-F249 WeakPolarHBondContact CA-O 3.44Å; S201-F249 WeakPolarHBondContact CB-O 3.32Å
202Y98.8Very high97.7Very high0 Ų039.5 Ų39.50%022%0.217CC..Hα-helixtrans-54.6-43.8169.1-63.7-50.5000111.3I190 F205 K206 L226 S246 F249 E254 L255 M258I190-Y202 HydrophobicContact CG1-CD1 4.15Å; I190-Y202 HydrophobicContact CG1-CE1 4.11Å; I190-Y202 HydrophobicContact CG2-CD1 3.92Å; I190-Y202 HydrophobicContact CG2-CE1 4.35Å; Y202-F205 PolarHBondContact O-N 3.03Å; Y202-K206 VanDerWaalsContact O-CB 3.3Å; Y202-K206 WeakPolarHBondContact O-CB 3.17Å; Y202-K206 PolarHBondContact O-N 3.18Å; Y202-L226 HydrophobicContact CE1-CD2 3.57Å; Y202-S246 PolarHBondContact OH-N 2.86Å; Y202-S246 PolarHBondContact OH-O 3.22Å; Y202-F249 HydrophobicContact CD1-CB 3.85Å; Y202-F249 HydrophobicContact CD2-CB 3.98Å; Y202-F249 WeakPolarHBondContact CD2-O 3.25Å; Y202-F249 HydrophobicContact CE1-CB 3.59Å; Y202-F249 AromaticContact CE1-CD2 3.7Å; Y202-F249 HydrophobicContact CE1-CD2 3.7Å; Y202-F249 HydrophobicContact CE1-CG 4.13Å; Y202-F249 HydrophobicContact CE2-CB 3.72Å; Y202-F249 HydrophobicContact CG-CB 4.04Å; Y202-F249 AromaticContact CZ-CD2 3.82Å; Y202-F249 PolarHBondContact N-O 3.43Å; Y202-E254 HydrophobicContact CD2-CB 4.09Å; Y202-E254 HydrophobicContact CG-CB 4.43Å; Y202-L255 HydrophobicContact CD1-CB 4.3Å; Y202-L255 HydrophobicContact CD1-CD1 3.98Å; Y202-L255 HydrophobicContact CD2-CB 3.99Å; Y202-L255 HydrophobicContact CE1-CB 4.24Å; Y202-L255 HydrophobicContact CE1-CD1 3.83Å; Y202-L255 HydrophobicContact CE1-CG 4.43Å; Y202-L255 HydrophobicContact CE2-CB 3.94Å; Y202-L255 HydrophobicContact CG-CB 4.18Å; Y202-M258 HydrophobicContact CD1-CE 3.46Å; Y202-M258 VanDerWaalsContact CD1-CE 3.46Å; Y202-M258 HydrophobicContact CE1-CE 4.19Å; Y202-M258 HydrophobicContact CG-CE 4.33Å
203S98.8Very high97.8Very high35 Ų3539.5 Ų39.525%0.24522%0.217CC..Hα-helixtrans-62.2-43175.9-60.20000112S201 F205 K206 D207 E254S201-S203 PolarHBondContact O-N 2.99Å; S203-F205 PolarHBondContact O-N 2.93Å; S203-K206 WeakPolarHBondContact O-CB 3.42Å; S203-K206 PolarHBondContact O-N 2.93Å; S203-D207 WeakPolarHBondContact O-CB 3.44Å; S203-D207 VanDerWaalsContact O-CG 3.28Å; S203-D207 PolarHBondContact O-N 2.98Å; S203-E254 PolarHBondContact OG-OE2 2.89Å
204H98.7Very high97.9Very high50 Ų5043.9 Ų43.923%0.23124%0.236CC..Hα-helixtrans-61.8-45.3175.717691.1000111.9S193 A200 S201 D207 N208S193-H204 PolarHBondContact OG-CD2 3.35Å; A200-H204 HydrophobicContact CB-CB 4.45Å; S201-H204 WeakPolarHBondContact O-CB 3.45Å; S201-H204 PolarHBondContact O-N 2.98Å; S201-H204 VanDerWaalsContact O-N 3.15Å; S201-H204 WeakPolarHBondContact OG-CB 3.43Å; S201-H204 PolarHBondContact OG-N 2.93Å; H204-D207 PolarHBondContact O-N 3.3Å; H204-N208 PolarHBondContact ND1-ND2 3.49Å; H204-N208 WeakPolarHBondContact O-CB 3.44Å; H204-N208 PolarHBondContact O-N 2.91Å; H204-N208 PolarHBondContact O-ND2 3.04Å
205F98.8Very high97.9Very high0 Ų047.4 Ų47.40%025%0.254CS..Hα-helixtrans-61.4-46.4178.2-166.9-84.2000111.3C188 I190 S201 Y202 S203 D207 I209 L210 I213 I221 M258C188-F205 HydrophobicContact CB-CE2 4.04Å; C188-F205 HydrophobicContact CB-CZ 4Å; C188-F205 VanDerWaalsContact SG-CZ 3.51Å; I190-F205 HydrophobicContact CD1-CB 4.05Å; I190-F205 HydrophobicContact CD1-CD1 3.9Å; I190-F205 HydrophobicContact CD1-CD2 3.53Å; I190-F205 HydrophobicContact CD1-CE1 4.23Å; I190-F205 HydrophobicContact CD1-CE2 3.89Å; I190-F205 HydrophobicContact CD1-CG 3.55Å; I190-F205 HydrophobicContact CD1-CZ 4.24Å; I190-F205 HydrophobicContact CG2-CB 4.23Å; S201-F205 PolarHBondContact O-N 3.46Å; Y202-F205 PolarHBondContact O-N 3.03Å; S203-F205 PolarHBondContact O-N 2.93Å; F205-D207 PolarHBondContact O-N 3.36Å; F205-I209 HydrophobicContact CD1-CB 4.33Å; F205-I209 HydrophobicContact CD2-CB 3.88Å; F205-I209 HydrophobicContact CD2-CG1 4.04Å; F205-I209 HydrophobicContact CD2-CG2 3.95Å; F205-I209 HydrophobicContact CE1-CB 4.45Å; F205-I209 HydrophobicContact CE1-CG2 4.35Å; F205-I209 HydrophobicContact CE2-CB 4.01Å; F205-I209 HydrophobicContact CE2-CG1 4.49Å; F205-I209 HydrophobicContact CE2-CG2 3.56Å; F205-I209 HydrophobicContact CG-CB 4.04Å; F205-I209 HydrophobicContact CG-CG1 4.35Å; F205-I209 HydrophobicContact CG-CG2 4.49Å; F205-I209 HydrophobicContact CZ-CB 4.28Å; F205-I209 HydrophobicContact CZ-CG2 3.77Å; F205-I209 WeakPolarHBondContact O-CA 3.26Å; F205-I209 WeakPolarHBondContact O-CB 3.29Å; F205-I209 PolarHBondContact O-N 3.24Å; F205-L210 HydrophobicContact CD1-CD2 4.15Å; F205-L210 HydrophobicContact CD1-CG 4.06Å; F205-L210 HydrophobicContact CE1-CD2 3.67Å; F205-L210 HydrophobicContact CE1-CG 4.07Å; F205-L210 PolarHBondContact O-N 3.11Å; F205-I213 HydrophobicContact CE1-CD1 4.32Å; F205-I213 HydrophobicContact CZ-CD1 3.89Å; F205-I221 HydrophobicContact CE1-CD1 4.33Å; F205-M258 HydrophobicContact CD1-CE 4.38Å; F205-M258 HydrophobicContact CD1-CG 4.14Å; F205-M258 HydrophobicContact CD1-SD 3.84Å; F205-M258 HydrophobicContact CE1-SD 4.35Å
206K98.8Very high98.1Very high49 Ų4946.3 Ų46.321%0.21325%0.246CC..Hα-helixtrans-54.7-52.1175.8-175.8-167.674.8178.50111.9Y202 S203 L210 A257 M258 E261Y202-K206 VanDerWaalsContact O-CB 3.3Å; Y202-K206 WeakPolarHBondContact O-CB 3.17Å; Y202-K206 PolarHBondContact O-N 3.18Å; S203-K206 WeakPolarHBondContact O-CB 3.42Å; S203-K206 PolarHBondContact O-N 2.93Å; K206-L210 HydrophobicContact CG-CD1 4.37Å; K206-A257 HydrophobicContact CD-CB 4.41Å; K206-A257 WeakPolarHBondContact CD-O 3.3Å; K206-M258 HydrophobicContact CB-CB 4.02Å; K206-M258 HydrophobicContact CB-CG 3.83Å; K206-M258 HydrophobicContact CG-CB 4.45Å; K206-E261 HydrophobicContact CD-CB 4.07Å; K206-E261 HydrophobicContact CD-CG 4.43Å; K206-E261 HydrophobicContact CG-CB 3.63Å; K206-E261 HydrophobicContact CG-CG 3.7Å
207D98.7Very high98.2Very high95 Ų9540.9 Ų40.951%0.50822%0.221SC..Hα-helixtrans-80.4-29.3-170.4-64.3-29.3000113.2S203 H204 F205S203-D207 WeakPolarHBondContact O-CB 3.44Å; S203-D207 VanDerWaalsContact O-CG 3.28Å; S203-D207 PolarHBondContact O-N 2.98Å; H204-D207 PolarHBondContact O-N 3.3Å; F205-D207 PolarHBondContact O-N 3.36Å
208N98.4Very high98.4Very high78 Ų7838.4 Ų38.442%0.41721%0.205SC..Hα-helixtrans-118.1-24-168.5-56.6-81.5000114.5H204 R212H204-N208 PolarHBondContact ND1-ND2 3.49Å; H204-N208 WeakPolarHBondContact O-CB 3.44Å; H204-N208 PolarHBondContact O-N 2.91Å; H204-N208 PolarHBondContact O-ND2 3.04Å; N208-R212 WeakPolarHBondContact O-CD 3.32Å; N208-R212 WeakPolarHBondContact O-CG 3.24Å; N208-R212 PolarHBondContact O-NE 2.73Å
209I98.7Very high98.5Very high1 Ų135.9 Ų35.91%0.00519%0.189CC..THydrogen-bonded Turntrans-107.7-44.7-170.7-49.3-60.9000111.1S193 F205 P211 R212 I213 W553S193-I209 VanDerWaalsContact O-CD1 3.25Å; S193-I209 WeakPolarHBondContact O-CD1 3.11Å; F205-I209 HydrophobicContact CD1-CB 4.33Å; F205-I209 HydrophobicContact CD2-CB 3.88Å; F205-I209 HydrophobicContact CD2-CG1 4.04Å; F205-I209 HydrophobicContact CD2-CG2 3.95Å; F205-I209 HydrophobicContact CE1-CB 4.45Å; F205-I209 HydrophobicContact CE1-CG2 4.35Å; F205-I209 HydrophobicContact CE2-CB 4.01Å; F205-I209 HydrophobicContact CE2-CG1 4.49Å; F205-I209 HydrophobicContact CE2-CG2 3.56Å; F205-I209 HydrophobicContact CG-CB 4.04Å; F205-I209 HydrophobicContact CG-CG1 4.35Å; F205-I209 HydrophobicContact CG-CG2 4.49Å; F205-I209 HydrophobicContact CZ-CB 4.28Å; F205-I209 HydrophobicContact CZ-CG2 3.77Å; F205-I209 WeakPolarHBondContact O-CA 3.26Å; F205-I209 WeakPolarHBondContact O-CB 3.29Å; F205-I209 PolarHBondContact O-N 3.24Å; I209-P211 VanDerWaalsContact C-N 3.33Å; I209-R212 WeakPolarHBondContact O-CB 3.48Å; I209-R212 PolarHBondContact O-N 3.31Å; I209-I213 HydrophobicContact CG2-CD1 3.91Å; I209-I213 HydrophobicContact CG2-CG1 4.3Å; I209-I213 WeakPolarHBondContact O-CG1 3.4Å; I209-I213 PolarHBondContact O-N 2.7Å; I209-W553 HydrophobicContact CD1-CZ2 3.92Å
210L98.9Very high98.6Very high0 Ų034 Ų340%018%0.178CC..Hα-helixtrans-53.8-42.8174.5-68.8-179.8000113.3F205 K206 R212 I213 K214 I221 M258 E261 A262 L265F205-L210 HydrophobicContact CD1-CD2 4.15Å; F205-L210 HydrophobicContact CD1-CG 4.06Å; F205-L210 HydrophobicContact CE1-CD2 3.67Å; F205-L210 HydrophobicContact CE1-CG 4.07Å; F205-L210 PolarHBondContact O-N 3.11Å; K206-L210 HydrophobicContact CG-CD1 4.37Å; L210-R212 VanDerWaalsContact C-N 3.3Å; L210-R212 PolarHBondContact O-N 2.74Å; L210-I213 PolarHBondContact O-N 3.28Å; L210-K214 PolarHBondContact O-N 3.44Å; L210-I221 HydrophobicContact CD2-CD1 3.95Å; L210-M258 HydrophobicContact CD1-CG 4.27Å; L210-E261 HydrophobicContact CD1-CB 4.03Å; L210-E261 HydrophobicContact CD1-CG 3.86Å; L210-A262 HydrophobicContact CD1-CB 4.06Å; L210-A262 HydrophobicContact CD2-CB 4.05Å; L210-L265 HydrophobicContact CB-CD1 3.78Å
211P98.6Very high98.7Very high61 Ų6133.7 Ų33.740%0.39618%0.175SC..Hα-helixtrans-61.6-36.3176-25.436.5000113.3I209 K214 D215I209-P211 VanDerWaalsContact C-N 3.33Å; P211-K214 PolarHBondContact O-N 2.94Å; P211-D215 WeakPolarHBondContact O-CB 3.45Å; P211-D215 PolarHBondContact O-N 2.62Å
212R98.4Very high98.7Very high85 Ų8531.8 Ų31.832%0.32116%0.162SC..Hα-helixtrans-67.4-45.3177.3-66.9177179.4-90.24.5111.4N208 I209 L210 K214 D215 L216 D557N208-R212 WeakPolarHBondContact O-CD 3.32Å; N208-R212 WeakPolarHBondContact O-CG 3.24Å; N208-R212 PolarHBondContact O-NE 2.73Å; I209-R212 WeakPolarHBondContact O-CB 3.48Å; I209-R212 PolarHBondContact O-N 3.31Å; L210-R212 VanDerWaalsContact C-N 3.3Å; L210-R212 PolarHBondContact O-N 2.74Å; R212-K214 VanDerWaalsContact C-N 3.29Å; R212-K214 PolarHBondContact O-N 3.11Å; R212-D215 PolarHBondContact O-N 3.37Å; R212-L216 WeakPolarHBondContact O-CG 3.34Å; R212-L216 PolarHBondContact O-N 3.2Å; R212-D557 IonicContact CZ-OD1 3.29Å; R212-D557 IonicContact CZ-OD2 2.86Å; R212-D557 IonicContact NH1-OD1 3.41Å; R212-D557 PolarHBondContact NH1-OD1 2.95Å; R212-D557 IonicContact NH1-OD2 2.95Å; R212-D557 IonicContact NH2-OD1 2.73Å; R212-D557 PolarHBondContact NH2-OD1 3.17Å; R212-D557 IonicContact NH2-OD2 3.21Å; R212-D557 PolarHBondContact NH2-OD2 2.97Å
213I98.8Very high98.7Very high1 Ų131.8 Ų31.81%0.00516%0.162CC..Hα-helixtrans-59.8-43.4177.3-65.2172.7000110.2Y186 F205 I209 L210 L216 G217 Y218 I221 I267Y186-I213 HydrophobicContact CD1-CD1 3.46Å; Y186-I213 VanDerWaalsContact CD1-CD1 3.46Å; Y186-I213 HydrophobicContact CD1-CG1 3.69Å; Y186-I213 HydrophobicContact CD2-CG1 4.41Å; Y186-I213 HydrophobicContact CE1-CD1 3.81Å; Y186-I213 HydrophobicContact CE1-CG1 3.84Å; Y186-I213 HydrophobicContact CG-CD1 4.11Å; Y186-I213 HydrophobicContact CG-CG1 3.98Å; Y186-I213 HydrophobicContact CG-CG2 4.23Å; F205-I213 HydrophobicContact CE1-CD1 4.32Å; F205-I213 HydrophobicContact CZ-CD1 3.89Å; I209-I213 HydrophobicContact CG2-CD1 3.91Å; I209-I213 HydrophobicContact CG2-CG1 4.3Å; I209-I213 WeakPolarHBondContact O-CG1 3.4Å; I209-I213 PolarHBondContact O-N 2.7Å; L210-I213 PolarHBondContact O-N 3.28Å; I213-L216 PolarHBondContact O-N 3.47Å; I213-G217 PolarHBondContact O-N 3.13Å; I213-Y218 HydrophobicContact CG2-CG 4.48Å; I213-Y218 PolarHBondContact O-N 2.96Å; I213-I221 HydrophobicContact CD1-CG2 3.76Å; I213-I221 HydrophobicContact CG2-CG2 3.95Å; I213-I267 HydrophobicContact CG2-CD1 4.26Å
214K98.6Very high98.6Very high92 Ų9230.1 Ų30.140%0.415%0.15SC..Hα-helixtrans-63.3-45.7176.3-177.260.7179.3-171.80112.5L210 P211 R212 L216 G217 L265 I267L210-K214 PolarHBondContact O-N 3.44Å; P211-K214 PolarHBondContact O-N 2.94Å; R212-K214 VanDerWaalsContact C-N 3.29Å; R212-K214 PolarHBondContact O-N 3.11Å; K214-L216 VanDerWaalsContact C-N 3.27Å; K214-L216 PolarHBondContact O-N 2.91Å; K214-G217 PolarHBondContact O-N 2.88Å; K214-G217 VanDerWaalsContact O-N 3.1Å; K214-L265 HydrophobicContact CB-CD1 4.49Å; K214-L265 HydrophobicContact CD-CB 4.43Å; K214-L265 VanDerWaalsContact CE-O 3.29Å; K214-L265 WeakPolarHBondContact CE-O 3.48Å; K214-L265 HydrophobicContact CG-CD2 4.36Å; K214-L265 PolarHBondContact NZ-O 2.79Å; K214-I267 HydrophobicContact CB-CD1 4.23Å
215D98.6Very high98.5Very high86 Ų8628.1 Ų28.146%0.4614%0.142SC..Hα-helixtrans-58.8-40178178.271.9000111.9P211 R212 G217 R571 H575P211-D215 WeakPolarHBondContact O-CB 3.45Å; P211-D215 PolarHBondContact O-N 2.62Å; R212-D215 PolarHBondContact O-N 3.37Å; D215-G217 PolarHBondContact O-N 2.73Å; D215-R571 IonicContact OD1-NE 3.89Å; D215-R571 IonicContact OD2-CZ 3.72Å; D215-R571 VanDerWaalsContact OD2-CZ 3.25Å; D215-R571 IonicContact OD2-NE 3.65Å; D215-R571 PolarHBondContact OD2-NE 3.33Å; D215-R571 IonicContact OD2-NH2 2.84Å; D215-R571 PolarHBondContact OD2-NH2 3.34Å; D215-H575 PolarHBondContact O-NE2 3.24Å
216L98.6Very high98.5Very high6 Ų628.1 Ų28.13%0.03114%0.142CC..Hα-helixtrans-66.2-20.6176.7-73.9172.2000113.8Y186 R212 I213 K214 Y218 E528 R571 Q574Y186-L216 HydrophobicContact CE2-CD1 4.29Å; R212-L216 WeakPolarHBondContact O-CG 3.34Å; R212-L216 PolarHBondContact O-N 3.2Å; I213-L216 PolarHBondContact O-N 3.47Å; K214-L216 VanDerWaalsContact C-N 3.27Å; K214-L216 PolarHBondContact O-N 2.91Å; L216-Y218 HydrophobicContact CB-CD2 3.67Å; L216-Y218 HydrophobicContact CB-CE2 3.78Å; L216-Y218 HydrophobicContact CD1-CD2 4.4Å; L216-Y218 HydrophobicContact CD1-CE2 4.08Å; L216-E528 HydrophobicContact CD1-CB 4.47Å; L216-E528 HydrophobicContact CD1-CG 3.87Å; L216-R571 HydrophobicContact CD2-CB 4.1Å; L216-R571 WeakPolarHBondContact O-CA 3.44Å; L216-Q574 WeakPolarHBondContact O-CB 3.42Å; L216-Q574 WeakPolarHBondContact O-CG 3.35Å
217G98.5Very high98.5Very high4 Ų425.9 Ų25.94%0.04113%0.133CC..THydrogen-bonded Turntrans96.37.6176.900000115.5R184 I213 K214 D215R184-G217 PolarHBondContact NE-O 2.89Å; R184-G217 PolarHBondContact NH2-O 3.2Å; R184-G217 VanDerWaalsContact NH2-O 3.11Å; I213-G217 PolarHBondContact O-N 3.13Å; K214-G217 PolarHBondContact O-N 2.88Å; K214-G217 VanDerWaalsContact O-N 3.1Å; D215-G217 PolarHBondContact O-N 2.73Å
218Y98.8Very high98.4Very high2 Ų221.4 Ų21.41%0.00811%0.109CC..  trans-68.2145.5170.1-65.7-86000110.6R184 Y186 I213 L216 Y521 N523 D570 Q574R184-Y218 HydrophobicContact CB-CD1 4.25Å; Y186-Y218 HydrophobicContact CD2-CD1 4.34Å; Y186-Y218 AromaticContact CD2-CD2 3.67Å; Y186-Y218 HydrophobicContact CD2-CD2 3.67Å; Y186-Y218 HydrophobicContact CD2-CE1 4.25Å; Y186-Y218 AromaticContact CD2-CE2 3.58Å; Y186-Y218 HydrophobicContact CD2-CE2 3.58Å; Y186-Y218 HydrophobicContact CD2-CG 4.08Å; Y186-Y218 AromaticContact CD2-CZ 3.9Å; Y186-Y218 HydrophobicContact CE2-CD2 4.5Å; Y186-Y218 HydrophobicContact CE2-CE2 4.16Å; Y186-Y218 HydrophobicContact CG-CD2 4.4Å; Y186-Y218 HydrophobicContact CG-CG 4.45Å; I213-Y218 HydrophobicContact CG2-CG 4.48Å; I213-Y218 PolarHBondContact O-N 2.96Å; L216-Y218 HydrophobicContact CB-CD2 3.67Å; L216-Y218 HydrophobicContact CB-CE2 3.78Å; L216-Y218 HydrophobicContact CD1-CD2 4.4Å; L216-Y218 HydrophobicContact CD1-CE2 4.08Å; Y218-Y521 HydrophobicContact CE1-CD1 4.35Å; Y218-Y521 HydrophobicContact CE1-CE1 4.25Å; Y218-N523 HydrophobicContact CE1-CB 3.75Å; Y218-N523 WeakPolarHBondContact OH-CB 3.45Å; Y218-N523 VanDerWaalsContact OH-CG 3.3Å; Y218-D570 WeakPolarHBondContact CE2-OD2 3.38Å; Y218-D570 VanDerWaalsContact OH-CG 3.23Å; Y218-D570 PolarHBondContact OH-OD1 3.17Å; Y218-D570 PolarHBondContact OH-OD2 3.2Å; Y218-Q574 HydrophobicContact CD2-CG 4.39Å; Y218-Q574 HydrophobicContact CE1-CG 4.29Å; Y218-Q574 HydrophobicContact CE2-CG 4.03Å; Y218-Q574 PolarHBondContact OH-NE2 2.68Å
219N98.5Very high98.3Very high22 Ų2217.7 Ų17.712%0.1189%0.089CC..  trans-119.7-1.1-178.164.711.4000113.3S182 R184 I267 V268S182-N219 PolarHBondContact O-ND2 3.45Å; R184-N219 PolarHBondContact N-OD1 2.85Å; R184-N219 PolarHBondContact O-N 3.46Å; R184-N219 VanDerWaalsContact O-N 3.15Å; R184-N219 PolarHBondContact O-OD1 2.97Å; N219-I267 WeakPolarHBondContact O-CA 3.37Å; N219-V268 PolarHBondContact O-N 2.91Å
220A98.9Very high98Very high0 Ų018.7 Ų18.70%010%0.097CC..EExtended strand (participates in β ladder)trans-140.4149172.600000110.8L183 R184 I185 Y186 V268L183-A220 HydrophobicContact CD1-CB 3.62Å; R184-A220 PolarHBondContact O-N 3.11Å; R184-A220 VanDerWaalsContact O-N 3.15Å; I185-A220 CarbonylContact C-O 3.55Å; I185-A220 WeakPolarHBondContact CA-O 3.38Å; I185-A220 HydrophobicContact CG1-CB 4.29Å; Y186-A220 PolarHBondContact N-O 2.99Å; A220-V268 CarbonylContact C-O 3.58Å; A220-V268 WeakPolarHBondContact CA-O 3.26Å; A220-V268 HydrophobicContact CB-CB 3.94Å; A220-V268 HydrophobicContact CB-CG1 4.32Å
221I98.9Very high97.6Very high0 Ų023.9 Ų23.90%012%0.118CC..EExtended strand (participates in β ladder)trans-116.6140.3165.658.7-179.5000109.3Y186 F205 L210 I213 I223 A262 I267 V268 V269 L270Y186-I221 VanDerWaalsContact O-CA 3.32Å; Y186-I221 WeakPolarHBondContact O-CA 3.2Å; F205-I221 HydrophobicContact CE1-CD1 4.33Å; L210-I221 HydrophobicContact CD2-CD1 3.95Å; I213-I221 HydrophobicContact CD1-CG2 3.76Å; I213-I221 HydrophobicContact CG2-CG2 3.95Å; I221-I223 HydrophobicContact CD1-CD1 3.75Å; I221-I223 HydrophobicContact CD1-CG1 3.99Å; I221-I223 HydrophobicContact CG1-CD1 4.28Å; I221-I223 HydrophobicContact CG1-CG1 4.08Å; I221-A262 HydrophobicContact CD1-CB 4.45Å; I221-I267 HydrophobicContact CB-CG2 4.46Å; I221-I267 HydrophobicContact CG1-CG2 4.12Å; I221-I267 HydrophobicContact CG2-CG2 3.92Å; I221-V268 PolarHBondContact N-O 3.04Å; I221-V269 HydrophobicContact CD1-CG1 4.09Å; I221-V269 HydrophobicContact CD1-CG2 4.01Å; I221-V269 HydrophobicContact CG1-CB 4.26Å; I221-V269 HydrophobicContact CG1-CG1 4.03Å; I221-V269 HydrophobicContact CG1-CG2 4.06Å; I221-L270 WeakPolarHBondContact O-CB 2.94Å; I221-L270 PolarHBondContact O-N 2.88Å
222Q98.8Very high97.3Very high0 Ų021.7 Ų21.70%010%0.102CC..EExtended strand (participates in β ladder)trans-112.2112.7168.7178.3-174.4-55.800107.8I185 Y186 E187 C188 L270 D272 R341I185-Q222 HydrophobicContact CG2-CB 3.6Å; Y186-Q222 PolarHBondContact O-N 2.92Å; Y186-Q222 VanDerWaalsContact O-N 3.07Å; E187-Q222 WeakPolarHBondContact CA-O 3.18Å; C188-Q222 PolarHBondContact N-O 3Å; Q222-L270 WeakPolarHBondContact CA-O 3.05Å; Q222-L270 HydrophobicContact CB-CB 4.35Å; Q222-D272 PolarHBondContact NE2-OD2 3.25Å; Q222-R341 VanDerWaalsContact CD-CB 3.5Å; Q222-R341 HydrophobicContact CG-CB 4.07Å
223I98.7Very high96.9Very high0 Ų018.6 Ų18.60%010%0.095CC..EExtended strand (participates in β ladder)trans-101.9118-172.3-42.5177000110.1C188 I190 I221 L226 M258 V269 L270 D272C188-I223 WeakPolarHBondContact O-CA 3.35Å; I190-I223 HydrophobicContact CD1-CG2 3.74Å; I190-I223 HydrophobicContact CG1-CG2 3.79Å; I221-I223 HydrophobicContact CD1-CD1 3.75Å; I221-I223 HydrophobicContact CD1-CG1 3.99Å; I221-I223 HydrophobicContact CG1-CD1 4.28Å; I221-I223 HydrophobicContact CG1-CG1 4.08Å; I223-L226 HydrophobicContact CB-CD1 3.69Å; I223-L226 HydrophobicContact CB-CG 4.08Å; I223-L226 HydrophobicContact CD1-CD1 4.01Å; I223-L226 HydrophobicContact CG1-CD1 4.44Å; I223-L226 HydrophobicContact CG2-CD1 3.64Å; I223-L226 HydrophobicContact CG2-CD2 3.85Å; I223-L226 HydrophobicContact CG2-CG 3.57Å; I223-M258 HydrophobicContact CD1-CE 4.38Å; I223-M258 HydrophobicContact CD1-SD 4.24Å; I223-V269 HydrophobicContact CD1-CG1 3.65Å; I223-V269 HydrophobicContact CG1-CG1 4.29Å; I223-L270 PolarHBondContact N-O 2.85Å; I223-D272 WeakPolarHBondContact O-CB 3.38Å; I223-D272 PolarHBondContact O-N 3.1Å
224M97.7Very high96.4Very high0 Ų019.4 Ų19.40%010%0.1CC..EExtended strand (participates in β ladder)trans-84.9160.5174.4-55.4178.9-58.200111.7E187 C188 H189 L226 D272 H466 F524E187-M224 HydrophobicContact CG-CE 4.41Å; E187-M224 HydrophobicContact CG-SD 4.12Å; C188-M224 PolarHBondContact O-N 2.85Å; H189-M224 HydrophobicContact CB-CE 3.85Å; M224-L226 VanDerWaalsContact C-N 3.29Å; M224-L226 PolarHBondContact O-N 3.36Å; M224-D272 HydrophobicContact CB-CB 4.44Å; M224-D272 HydrophobicContact CG-CB 4.22Å; M224-H466 HydrophobicContact CE-CB 3.71Å; M224-H466 HydrophobicContact SD-CB 3.72Å; M224-H466 PolarHBondContact SD-ND1 3.46Å; M224-F524 HydrophobicContact CE-CE2 3.66Å; M224-F524 HydrophobicContact CE-CZ 4.37Å
225A96.3Very high96Very high8 Ų815.5 Ų15.57%0.0668%0.083CC..SBendtrans61.125.3169.100000116.8H189 H229 F235 F249H189-A225 VanDerWaalsContact CD2-CB 3.44Å; H189-A225 WeakPolarHBondContact CD2-CB 3.44Å; H189-A225 VanDerWaalsContact NE2-CB 3.32Å; H189-A225 WeakPolarHBondContact NE2-CB 3.39Å; A225-H229 PolarHBondContact O-CE1 3.23Å; A225-H229 VanDerWaalsContact O-CE1 3.25Å; A225-F235 WeakPolarHBondContact CB-O 3.41Å; A225-F249 VanDerWaalsContact O-CE2 3.32Å; A225-F249 WeakPolarHBondContact O-CE2 3.47Å
226L97.9Very high95.7Very high0 Ų011.6 Ų11.60%06%0.063CC..  trans-81.7-35.3179.3-73.5-174.4000114.2I190 Y202 I223 M224 A245 S246 F249 L255 L271 W331 F337I190-L226 HydrophobicContact CG1-CD2 3.86Å; Y202-L226 HydrophobicContact CE1-CD2 3.57Å; I223-L226 HydrophobicContact CB-CD1 3.69Å; I223-L226 HydrophobicContact CB-CG 4.08Å; I223-L226 HydrophobicContact CD1-CD1 4.01Å; I223-L226 HydrophobicContact CG1-CD1 4.44Å; I223-L226 HydrophobicContact CG2-CD1 3.64Å; I223-L226 HydrophobicContact CG2-CD2 3.85Å; I223-L226 HydrophobicContact CG2-CG 3.57Å; M224-L226 VanDerWaalsContact C-N 3.29Å; M224-L226 PolarHBondContact O-N 3.36Å; L226-A245 CarbonylContact O-C 3.37Å; L226-A245 WeakPolarHBondContact O-CA 3.31Å; L226-S246 WeakPolarHBondContact O-CB 3.32Å; L226-S246 PolarHBondContact O-N 3.29Å; L226-F249 HydrophobicContact CD2-CD2 4.19Å; L226-F249 HydrophobicContact CD2-CE2 4.32Å; L226-L255 HydrophobicContact CD1-CD1 4.44Å; L226-L271 HydrophobicContact CB-CD1 3.66Å; L226-L271 HydrophobicContact CD1-CD1 3.88Å; L226-L271 HydrophobicContact CG-CD1 4.23Å; L226-W331 HydrophobicContact CB-CH2 4.43Å; L226-F337 HydrophobicContact CD1-CE1 3.87Å; L226-F337 HydrophobicContact CD1-CZ 3.4Å; L226-F337 VanDerWaalsContact CD1-CZ 3.4Å
227M98.4Very high95.5Very high3 Ų312.8 Ų12.82%0.0157%0.067CC..EExtended strand (participates in β ladder)trans-67.7136.5170.8-68-174.9-74.300109.2H229 V239 F242 V273 V274 W331M227-H229 PolarHBondContact O-N 3.38Å; M227-H229 PolarHBondContact O-ND1 3.27Å; M227-V239 HydrophobicContact CB-CG1 3.71Å; M227-V239 HydrophobicContact CB-CG2 4.11Å; M227-V239 HydrophobicContact CE-CG2 4.09Å; M227-V239 HydrophobicContact SD-CG1 4.39Å; M227-F242 HydrophobicContact CE-CD1 4.44Å; M227-F242 HydrophobicContact SD-CB 4.33Å; M227-F242 HydrophobicContact SD-CD1 3.67Å; M227-F242 HydrophobicContact SD-CE1 4.32Å; M227-F242 HydrophobicContact SD-CG 4.35Å; M227-V273 HydrophobicContact CE-CB 4.29Å; M227-V273 HydrophobicContact CE-CG2 4.45Å; M227-V274 HydrophobicContact CE-CB 4.34Å; M227-V274 HydrophobicContact CE-CG2 4.22Å; M227-W331 HydrophobicContact CB-CZ2 4.45Å; M227-W331 HydrophobicContact CG-CH2 4.45Å; M227-W331 HydrophobicContact CG-CZ2 3.52Å
228E97.8Very high95.4Very high0 Ų014.7 Ų14.70%08%0.075CC..EExtended strand (participates in β ladder)trans-63.1133.4-176.6-172.178.8-107.400111.2V150 Y159 T240 S241 A244 S247 R248V150-E228 HydrophobicContact CG2-CB 3.87Å; V150-E228 HydrophobicContact CG2-CG 3.51Å; Y159-E228 HydrophobicContact CD1-CG 4Å; Y159-E228 HydrophobicContact CE1-CG 3.69Å; Y159-E228 WeakPolarHBondContact CE1-OE1 3.5Å; Y159-E228 WeakPolarHBondContact CE1-OE2 3.31Å; Y159-E228 PolarHBondContact OH-OE1 3.37Å; Y159-E228 VanDerWaalsContact OH-OE1 3.09Å; E228-T240 PolarHBondContact O-N 3.27Å; E228-T240 PolarHBondContact O-OG1 2.93Å; E228-S241 PolarHBondContact N-O 2.68Å; E228-S241 PolarHBondContact O-N 3.37Å; E228-S241 VanDerWaalsContact O-N 3.14Å; E228-A244 HydrophobicContact CB-CB 4Å; E228-A244 PolarHBondContact N-O 3.21Å; E228-S247 WeakPolarHBondContact OE2-CB 3.37Å; E228-S247 PolarHBondContact OE2-N 3.47Å; E228-S247 PolarHBondContact OE2-OG 3.49Å; E228-R248 IonicContact OE1-CZ 3.93Å; E228-R248 IonicContact OE1-NH1 3.55Å; E228-R248 PolarHBondContact OE1-NH1 3.32Å; E228-R248 VanDerWaalsContact OE1-NH1 3.12Å
229H95.7Very high95.3Very high0 Ų014.7 Ų14.70%08%0.075CC..EExtended strand (participates in β ladder)trans-139.8136.8-175.653.7-79.8000109.2A225 M227 Y232 Q238 R248A225-H229 PolarHBondContact O-CE1 3.23Å; A225-H229 VanDerWaalsContact O-CE1 3.25Å; M227-H229 PolarHBondContact O-N 3.38Å; M227-H229 PolarHBondContact O-ND1 3.27Å; H229-Y232 AromaticContact NE2-CD2 3.85Å; H229-Q238 WeakPolarHBondContact CA-O 3.32Å; H229-Q238 VanDerWaalsContact CB-O 3.23Å; H229-Q238 WeakPolarHBondContact CB-O 3.23Å; H229-R248 PolarHBondContact NE2-NH1 2.78Å; H229-R248 VanDerWaalsContact O-CZ 3.29Å; H229-R248 PolarHBondContact O-NH1 3.08Å; H229-R248 PolarHBondContact O-NH2 2.88Å
230A92.4Very high95.3Very high22 Ų2213.8 Ų13.818%0.1827%0.071CC..SBendtrans-73.2-40.2-173.300000113.4Y159 T240 R248 N281Y159-A230 HydrophobicContact CD2-CB 4.42Å; Y159-A230 HydrophobicContact CE2-CB 4.22Å; A230-T240 HydrophobicContact CB-CG2 3.96Å; A230-R248 PolarHBondContact O-NH2 3.17Å; A230-N281 WeakPolarHBondContact CB-ND2 3.04Å
231Y90.9Very high95.3Very high109 Ų10913.9 Ų13.943%0.4277%0.071SC..  trans-96.9105.6-176.4-175.1-136.3000111.6A233 S234Y231-A233 VanDerWaalsContact C-N 3.3Å; Y231-A233 HydrophobicContact CE1-CB 3.98Å; Y231-A233 HydrophobicContact CE2-CB 3.98Å; Y231-A233 PolarHBondContact O-N 3.34Å; Y231-S234 VanDerWaalsContact O-CB 3.25Å; Y231-S234 WeakPolarHBondContact O-CB 3.46Å; Y231-S234 PolarHBondContact O-N 2.95Å; Y231-S234 PolarHBondContact O-OG 3.03Å
232Y91.5Very high95.3Very high15 Ų1513.9 Ų13.96%0.0597%0.071CC..G310 helixtrans-61.7-35.5-173.7-169.9-130.6000113.4H189 V199 H229 S234 F235 F249 F537 P538 Y546H189-Y232 AromaticContact CE1-CE2 3.89Å; H189-Y232 PolarHBondContact CE1-OH 3.45Å; V199-Y232 HydrophobicContact CG2-CE1 4.07Å; H229-Y232 AromaticContact NE2-CD2 3.85Å; Y232-S234 PolarHBondContact O-N 3.09Å; Y232-S234 VanDerWaalsContact O-N 3.16Å; Y232-F235 PolarHBondContact O-N 2.69Å; Y232-F249 HydrophobicContact CE2-CE1 4.12Å; Y232-F249 HydrophobicContact CE2-CZ 4.36Å; Y232-F537 AromaticContact CD1-CD1 3.67Å; Y232-F537 HydrophobicContact CD1-CD1 3.67Å; Y232-F537 HydrophobicContact CD1-CE1 4.25Å; Y232-F537 HydrophobicContact CD2-CD1 4.27Å; Y232-F537 HydrophobicContact CD2-CE1 4.24Å; Y232-F537 AromaticContact CE1-CD1 3.55Å; Y232-F537 HydrophobicContact CE1-CD1 3.55Å; Y232-F537 AromaticContact CE1-CE1 3.79Å; Y232-F537 HydrophobicContact CE1-CE1 3.79Å; Y232-F537 HydrophobicContact CE2-CD1 4.18Å; Y232-F537 AromaticContact CE2-CE1 3.8Å; Y232-F537 HydrophobicContact CE2-CE1 3.8Å; Y232-F537 HydrophobicContact CG-CD1 4.02Å; Y232-F537 HydrophobicContact CG-CE1 4.45Å; Y232-F537 AromaticContact CZ-CD1 3.82Å; Y232-F537 AromaticContact CZ-CE1 3.55Å; Y232-F537 VanDerWaalsContact O-CD1 3.24Å; Y232-F537 WeakPolarHBondContact O-CD1 3.41Å; Y232-P538 HydrophobicContact CD1-CG 4.08Å; Y232-P538 HydrophobicContact CE1-CG 4.29Å; Y232-Y546 HydrophobicContact CD1-CE1 4.34Å; Y232-Y546 AromaticContact CE1-CE1 3.9Å; Y232-Y546 HydrophobicContact CE1-CE1 3.9Å
233A89.9Confident95.2Very high21 Ų2114 Ų1417%0.1747%0.072CC..G310 helixtrans-75.85.317700000114.3Y231 F537 R539Y231-A233 VanDerWaalsContact C-N 3.3Å; Y231-A233 HydrophobicContact CE1-CB 3.98Å; Y231-A233 HydrophobicContact CE2-CB 3.98Å; Y231-A233 PolarHBondContact O-N 3.34Å; A233-F537 HydrophobicContact CB-CB 3.67Å; A233-R539 HydrophobicContact CB-CB 4.1Å
234S89.1Confident95.2Very high18 Ų1814 Ų1413%0.1267%0.072CC..G310 helixtrans-81.32167.7710000113.8Y231 Y232 G236 Y237 Q238Y231-S234 VanDerWaalsContact O-CB 3.25Å; Y231-S234 WeakPolarHBondContact O-CB 3.46Å; Y231-S234 PolarHBondContact O-N 2.95Å; Y231-S234 PolarHBondContact O-OG 3.03Å; Y232-S234 PolarHBondContact O-N 3.09Å; Y232-S234 VanDerWaalsContact O-N 3.16Å; S234-G236 PolarHBondContact O-N 3.4Å; S234-Y237 VanDerWaalsContact O-CD2 3.31Å; S234-Y237 WeakPolarHBondContact O-CD2 3.42Å; S234-Y237 PolarHBondContact O-N 2.64Å; S234-Q238 PolarHBondContact OG-N 2.74Å
235F89.7Confident95.3Very high10 Ų1014 Ų144%0.0447%0.072CC..THydrogen-bonded Turntrans59.716.3-175.5-86-109.6000114.9A225 Y232 Y237 H466 L470 L535 F537A225-F235 WeakPolarHBondContact CB-O 3.41Å; Y232-F235 PolarHBondContact O-N 2.69Å; F235-Y237 HydrophobicContact CB-CD2 3.88Å; F235-Y237 HydrophobicContact CB-CE2 3.85Å; F235-H466 HydrophobicContact CD1-CB 4.47Å; F235-H466 HydrophobicContact CE1-CB 4.43Å; F235-L470 HydrophobicContact CD1-CD2 4.49Å; F235-L470 HydrophobicContact CD2-CD2 3.8Å; F235-L470 HydrophobicContact CE1-CD2 3.85Å; F235-L470 HydrophobicContact CE2-CD2 3.06Å; F235-L470 HydrophobicContact CE2-CG 4.47Å; F235-L470 HydrophobicContact CG-CD2 4.45Å; F235-L470 HydrophobicContact CZ-CD2 3.06Å; F235-L470 HydrophobicContact CZ-CG 4.35Å; F235-L535 HydrophobicContact CE1-CD1 3.75Å; F235-L535 HydrophobicContact CZ-CB 4.08Å; F235-L535 HydrophobicContact CZ-CD1 3.82Å; F235-F537 HydrophobicContact CD1-CE2 4.08Å; F235-F537 HydrophobicContact CD1-CZ 4.17Å; F235-F537 HydrophobicContact CD2-CD2 4.02Å; F235-F537 HydrophobicContact CD2-CE2 4.09Å; F235-F537 HydrophobicContact CD2-CG 4.33Å; F235-F537 HydrophobicContact CD2-CZ 4.41Å; F235-F537 HydrophobicContact CE1-CD2 4.09Å; F235-F537 AromaticContact CE1-CE2 3.39Å; F235-F537 HydrophobicContact CE1-CE2 3.39Å; F235-F537 AromaticContact CE1-CZ 3.89Å; F235-F537 HydrophobicContact CE1-CZ 3.89Å; F235-F537 HydrophobicContact CE2-CB 4.39Å; F235-F537 HydrophobicContact CE2-CD1 4.49Å; F235-F537 AromaticContact CE2-CD2 3.14Å; F235-F537 HydrophobicContact CE2-CD2 3.14Å; F235-F537 AromaticContact CE2-CE2 3.36Å; F235-F537 HydrophobicContact CE2-CE2 3.36Å; F235-F537 AromaticContact CE2-CG 3.78Å; F235-F537 HydrophobicContact CE2-CG 3.78Å; F235-F537 HydrophobicContact CE2-CZ 4.1Å; F235-F537 HydrophobicContact CG-CE2 4.39Å; F235-F537 HydrophobicContact CG-CZ 4.43Å; F235-F537 AromaticContact CZ-CD2 3.21Å; F235-F537 HydrophobicContact CZ-CD2 3.21Å; F235-F537 AromaticContact CZ-CE2 2.97Å; F235-F537 HydrophobicContact CZ-CE2 2.97Å; F235-F537 HydrophobicContact CZ-CG 4.25Å; F235-F537 AromaticContact CZ-CZ 3.85Å; F235-F537 HydrophobicContact CZ-CZ 3.85Å
236G93.1Very high95.3Very high3 Ų313.6 Ų13.63%0.0317%0.069CC..THydrogen-bonded Turntrans96.7-6.8-177.200000115.1S234 V239S234-G236 PolarHBondContact O-N 3.4Å; G236-V239 WeakPolarHBondContact O-CG2 3.48Å
237Y95Very high95.3Very high31 Ų3114.3 Ų14.312%0.1227%0.074CC..  trans-78-21.5-173.5-62.2-61.1000113.7S234 F235 V239 V274 H277 D343 H466S234-Y237 VanDerWaalsContact O-CD2 3.31Å; S234-Y237 WeakPolarHBondContact O-CD2 3.42Å; S234-Y237 PolarHBondContact O-N 2.64Å; F235-Y237 HydrophobicContact CB-CD2 3.88Å; F235-Y237 HydrophobicContact CB-CE2 3.85Å; Y237-V239 VanDerWaalsContact C-N 3.27Å; Y237-V239 PolarHBondContact O-N 3.49Å; Y237-V239 VanDerWaalsContact O-N 3.08Å; Y237-V274 HydrophobicContact CD1-CG2 3.73Å; Y237-V274 HydrophobicContact CE1-CG2 4.35Å; Y237-H277 PolarHBondContact O-NE2 2.85Å; Y237-D343 HydrophobicContact CD1-CB 4.37Å; Y237-D343 HydrophobicContact CE1-CB 4.14Å; Y237-D343 WeakPolarHBondContact CE1-OD1 3.19Å; Y237-H466 AromaticContact CE2-NE2 3.47Å; Y237-H466 WeakPolarHBondContact CE2-NE2 3.45Å; Y237-H466 AromaticContact CZ-NE2 3.5Å; Y237-H466 PolarHBondContact OH-CE1 2.89Å; Y237-H466 PolarHBondContact OH-NE2 2.45Å
238Q94.8Very high95.1Very high45 Ų4517 Ų1721%0.218%0.084CC..SBendtrans-8862.7171.7-67.1-176.5-9.300111.8H229 S234H229-Q238 WeakPolarHBondContact CA-O 3.32Å; H229-Q238 VanDerWaalsContact CB-O 3.23Å; H229-Q238 WeakPolarHBondContact CB-O 3.23Å; S234-Q238 PolarHBondContact OG-N 2.74Å
239V98.1Very high95.1Very high2 Ų217.1 Ų17.11%0.0128%0.084CC..EExtended strand (participates in β ladder)trans-62.7134.4-179.3-175.50000111.2M227 G236 Y237 F242 V274 S279M227-V239 HydrophobicContact CB-CG1 3.71Å; M227-V239 HydrophobicContact CB-CG2 4.11Å; M227-V239 HydrophobicContact CE-CG2 4.09Å; M227-V239 HydrophobicContact SD-CG1 4.39Å; G236-V239 WeakPolarHBondContact O-CG2 3.48Å; Y237-V239 VanDerWaalsContact C-N 3.27Å; Y237-V239 PolarHBondContact O-N 3.49Å; Y237-V239 VanDerWaalsContact O-N 3.08Å; V239-F242 HydrophobicContact CB-CE1 4.19Å; V239-F242 HydrophobicContact CB-CE2 4.04Å; V239-F242 HydrophobicContact CB-CZ 3.79Å; V239-F242 HydrophobicContact CG1-CD1 4Å; V239-F242 HydrophobicContact CG1-CD2 3.75Å; V239-F242 HydrophobicContact CG1-CE1 3.91Å; V239-F242 HydrophobicContact CG1-CE2 3.65Å; V239-F242 HydrophobicContact CG1-CG 3.91Å; V239-F242 HydrophobicContact CG1-CZ 3.72Å; V239-V274 HydrophobicContact CG2-CB 3.97Å; V239-V274 HydrophobicContact CG2-CG2 3.91Å; V239-S279 VanDerWaalsContact O-CB 3.31Å; V239-S279 WeakPolarHBondContact O-CB 3.32Å; V239-S279 PolarHBondContact O-N 3.11Å
240T97.8Very high95.2Very high3 Ų318 Ų182%0.0189%0.093CC..EExtended strand (participates in β ladder)trans-112.2-34.7175.350.20000112.3E228 A230 N281 D284E228-T240 PolarHBondContact O-N 3.27Å; E228-T240 PolarHBondContact O-OG1 2.93Å; A230-T240 HydrophobicContact CB-CG2 3.96Å; T240-N281 HydrophobicContact CG2-CB 4.13Å; T240-D284 WeakPolarHBondContact CB-O 3.17Å
241S98.3Very high95.4Very high2 Ų219.1 Ų19.11%0.01410%0.098CC..EExtended strand (participates in β ladder)trans-133.397.2-177.1-49.80000111E228 F243 A244E228-S241 PolarHBondContact N-O 2.68Å; E228-S241 PolarHBondContact O-N 3.37Å; E228-S241 VanDerWaalsContact O-N 3.14Å; S241-F243 VanDerWaalsContact C-N 3.31Å; S241-F243 PolarHBondContact O-N 2.88Å; S241-A244 PolarHBondContact O-N 3.29Å
242F98.6Very high95.8Very high0 Ų014 Ų140%08%0.077CC..EExtended strand (participates in β ladder)trans-66.5-29.4-170.6-77.2-97.2000114.2M227 V239 V274 A278 L286 F313 F323 N327 W331M227-F242 HydrophobicContact CE-CD1 4.44Å; M227-F242 HydrophobicContact SD-CB 4.33Å; M227-F242 HydrophobicContact SD-CD1 3.67Å; M227-F242 HydrophobicContact SD-CE1 4.32Å; M227-F242 HydrophobicContact SD-CG 4.35Å; V239-F242 HydrophobicContact CB-CE1 4.19Å; V239-F242 HydrophobicContact CB-CE2 4.04Å; V239-F242 HydrophobicContact CB-CZ 3.79Å; V239-F242 HydrophobicContact CG1-CD1 4Å; V239-F242 HydrophobicContact CG1-CD2 3.75Å; V239-F242 HydrophobicContact CG1-CE1 3.91Å; V239-F242 HydrophobicContact CG1-CE2 3.65Å; V239-F242 HydrophobicContact CG1-CG 3.91Å; V239-F242 HydrophobicContact CG1-CZ 3.72Å; F242-V274 VanDerWaalsContact CE1-O 3.25Å; F242-V274 WeakPolarHBondContact CE1-O 3.36Å; F242-A278 HydrophobicContact CE2-CB 3.84Å; F242-A278 HydrophobicContact CZ-CB 3.84Å; F242-L286 HydrophobicContact CD2-CD1 3.8Å; F242-L286 HydrophobicContact CE2-CD1 3.7Å; F242-F313 HydrophobicContact CE1-CE2 4.24Å; F242-F313 HydrophobicContact CE1-CZ 4.06Å; F242-F313 AromaticContact CE2-CZ 3.81Å; F242-F313 HydrophobicContact CE2-CZ 3.81Å; F242-F313 AromaticContact CZ-CE2 3.83Å; F242-F313 HydrophobicContact CZ-CE2 3.83Å; F242-F313 AromaticContact CZ-CZ 3.48Å; F242-F313 HydrophobicContact CZ-CZ 3.48Å; F242-F313 VanDerWaalsContact CZ-CZ 3.48Å; F242-F323 HydrophobicContact CB-CE1 4.17Å; F242-F323 HydrophobicContact CB-CZ 3.76Å; F242-F323 HydrophobicContact CD1-CE1 4.5Å; F242-F323 AromaticContact CD2-CE1 3.96Å; F242-F323 HydrophobicContact CD2-CE1 3.96Å; F242-F323 AromaticContact CD2-CZ 3.8Å; F242-F323 HydrophobicContact CD2-CZ 3.8Å; F242-F323 AromaticContact CG-CE1 3.93Å; F242-F323 HydrophobicContact CG-CE1 3.93Å; F242-F323 AromaticContact CG-CZ 3.87Å; F242-F323 HydrophobicContact CG-CZ 3.87Å; F242-N327 PolarHBondContact O-ND2 2.93Å; F242-W331 PolarHBondContact O-NE1 2.85Å; F242-W331 VanDerWaalsContact O-NE1 3.16Å
243F98.6Very high96.1Very high1 Ų114.6 Ų14.60%0.0048%0.081CC..EExtended strand (participates in β ladder)trans-93.2-5.8-179.6-67.8-98.4000112.7Y60 W146 A147 S241 F323 N327 W330Y60-F243 HydrophobicContact CD1-CE1 4.43Å; Y60-F243 HydrophobicContact CG-CE1 4.4Å; W146-F243 HydrophobicContact CD2-CE2 4.33Å; W146-F243 HydrophobicContact CD2-CZ 4.5Å; W146-F243 HydrophobicContact CE3-CD1 4.41Å; W146-F243 HydrophobicContact CE3-CD2 4.25Å; W146-F243 AromaticContact CE3-CE1 3.86Å; W146-F243 HydrophobicContact CE3-CE1 3.86Å; W146-F243 AromaticContact CE3-CE2 3.69Å; W146-F243 HydrophobicContact CE3-CE2 3.69Å; W146-F243 AromaticContact CE3-CZ 3.46Å; W146-F243 HydrophobicContact CE3-CZ 3.46Å; W146-F243 VanDerWaalsContact CE3-CZ 3.46Å; W146-F243 HydrophobicContact CH2-CZ 4.42Å; W146-F243 AromaticContact CZ3-CE1 3.97Å; W146-F243 HydrophobicContact CZ3-CE1 3.97Å; W146-F243 AromaticContact CZ3-CE2 3.98Å; W146-F243 HydrophobicContact CZ3-CE2 3.98Å; W146-F243 AromaticContact CZ3-CZ 3.42Å; W146-F243 HydrophobicContact CZ3-CZ 3.42Å; W146-F243 VanDerWaalsContact CZ3-CZ 3.42Å; A147-F243 CarbonylContact O-C 3.57Å; S241-F243 VanDerWaalsContact C-N 3.31Å; S241-F243 PolarHBondContact O-N 2.88Å; F243-F323 AromaticContact CD2-CE2 3.97Å; F243-F323 HydrophobicContact CD2-CE2 3.97Å; F243-F323 HydrophobicContact CD2-CZ 4.34Å; F243-F323 AromaticContact CE2-CD2 3.76Å; F243-F323 HydrophobicContact CE2-CD2 3.76Å; F243-F323 AromaticContact CE2-CE2 3.44Å; F243-F323 HydrophobicContact CE2-CE2 3.44Å; F243-F323 VanDerWaalsContact CE2-CE2 3.44Å; F243-F323 HydrophobicContact CE2-CG 4.49Å; F243-F323 AromaticContact CE2-CZ 3.92Å; F243-F323 HydrophobicContact CE2-CZ 3.92Å; F243-N327 HydrophobicContact CE1-CB 4.33Å; F243-N327 HydrophobicContact CE2-CB 4.09Å; F243-N327 VanDerWaalsContact CZ-CA 3.49Å; F243-N327 HydrophobicContact CZ-CB 3.79Å; F243-W330 HydrophobicContact CD1-CB 3.66Å; F243-W330 AromaticContact CD1-CD1 3.71Å; F243-W330 AromaticContact CD1-CD2 3.68Å; F243-W330 HydrophobicContact CD1-CD2 3.68Å; F243-W330 HydrophobicContact CD1-CE3 4.22Å; F243-W330 AromaticContact CD1-CG 3.41Å; F243-W330 HydrophobicContact CD1-CG 3.41Å; F243-W330 VanDerWaalsContact CD1-CG 3.41Å; F243-W330 HydrophobicContact CE1-CB 3.63Å; F243-W330 HydrophobicContact CE1-CD2 4.42Å; F243-W330 AromaticContact CE1-CG 3.93Å; F243-W330 HydrophobicContact CE1-CG 3.93Å; F243-W330 HydrophobicContact CG-CG 4.42Å; F243-W330 PolarHBondContact O-NE1 3.33Å
244A98.5Very high96.5Very high0 Ų016 Ų160%08%0.084CC..EExtended strand (participates in β ladder)trans-96.2125.7-179.100000111.3A147 P148 V150 E228 S241A147-A244 WeakPolarHBondContact O-CB 3.28Å; A147-A244 PolarHBondContact O-N 3.49Å; P148-A244 WeakPolarHBondContact O-CA 3.45Å; V150-A244 HydrophobicContact CG2-CB 3.98Å; E228-A244 HydrophobicContact CB-CB 4Å; E228-A244 PolarHBondContact N-O 3.21Å; S241-A244 PolarHBondContact O-N 3.29Å
245A98.2Very high97Very high1 Ų115.2 Ų15.21%0.0088%0.078CC..EExtended strand (participates in β ladder)trans-65.1136.8162.900000110.5L226 S247 L255 W331 Y335L226-A245 CarbonylContact O-C 3.37Å; L226-A245 WeakPolarHBondContact O-CA 3.31Å; A245-S247 PolarHBondContact O-N 3.22Å; A245-L255 HydrophobicContact CB-CD2 3.7Å; A245-W331 HydrophobicContact CB-CH2 4.27Å; A245-Y335 HydrophobicContact CB-CE1 4.49Å
246S97.7Very high97.4Very high0 Ų015.2 Ų15.20%08%0.078CC..  trans-54.2113179.9172.70000110.4Y202 L226 R248 F249Y202-S246 PolarHBondContact OH-N 2.86Å; Y202-S246 PolarHBondContact OH-O 3.22Å; L226-S246 WeakPolarHBondContact O-CB 3.32Å; L226-S246 PolarHBondContact O-N 3.29Å; S246-R248 PolarHBondContact O-N 3.19Å; S246-F249 PolarHBondContact O-N 3.49Å; S246-F249 WeakPolarHBondContact OG-CE2 3.44Å
247S96.9Very high97.6Very high14 Ų1415.8 Ų15.810%0.0988%0.082CC..THydrogen-bonded Turntrans-69.6-13.5-179.159.40000113V150 E228 A245 F249V150-S247 VanDerWaalsContact O-CB 3.22Å; V150-S247 WeakPolarHBondContact O-CB 3.38Å; V150-S247 PolarHBondContact O-OG 3.15Å; E228-S247 WeakPolarHBondContact OE2-CB 3.37Å; E228-S247 PolarHBondContact OE2-N 3.47Å; E228-S247 PolarHBondContact OE2-OG 3.49Å; A245-S247 PolarHBondContact O-N 3.22Å; S247-F249 PolarHBondContact O-N 3.07Å
248R95.1Very high97.8Very high61 Ų6114.3 Ų14.323%0.238%0.077CC..THydrogen-bonded Turntrans-64-29.3174.4-64.4-170.1-175.885.6-6.6112.5Y159 V199 E228 H229 A230 S246Y159-R248 PolarHBondContact OH-NH1 2.88Å; Y159-R248 PolarHBondContact OH-NH2 3.07Å; V199-R248 HydrophobicContact CG1-CB 4.18Å; E228-R248 IonicContact OE1-CZ 3.93Å; E228-R248 IonicContact OE1-NH1 3.55Å; E228-R248 PolarHBondContact OE1-NH1 3.32Å; E228-R248 VanDerWaalsContact OE1-NH1 3.12Å; H229-R248 PolarHBondContact NE2-NH1 2.78Å; H229-R248 VanDerWaalsContact O-CZ 3.29Å; H229-R248 PolarHBondContact O-NH1 3.08Å; H229-R248 PolarHBondContact O-NH2 2.88Å; A230-R248 PolarHBondContact O-NH2 3.17Å; S246-R248 PolarHBondContact O-N 3.19Å
249F97.7Very high98Very high2 Ų212.2 Ų12.21%0.0097%0.067CC..SBendtrans-98.8-9-174.1-48.3-35.7000113.2H189 I190 G191 V199 S201 Y202 A225 L226 Y232 S246 S247H189-F249 AromaticContact CE1-CE1 3.96Å; H189-F249 AromaticContact CE1-CZ 3.62Å; I190-F249 HydrophobicContact CB-CB 4.4Å; I190-F249 HydrophobicContact CB-CD1 4.27Å; I190-F249 HydrophobicContact CB-CD2 3.78Å; I190-F249 HydrophobicContact CB-CE2 4.08Å; I190-F249 HydrophobicContact CB-CG 3.89Å; I190-F249 HydrophobicContact CB-CZ 4.49Å; I190-F249 HydrophobicContact CG1-CD2 4.21Å; I190-F249 HydrophobicContact CG2-CB 3.8Å; I190-F249 HydrophobicContact CG2-CD1 4.26Å; I190-F249 HydrophobicContact CG2-CD2 4.14Å; I190-F249 HydrophobicContact CG2-CG 3.81Å; G191-F249 VanDerWaalsContact CA-CE1 3.48Å; V199-F249 HydrophobicContact CG1-CD1 3.5Å; V199-F249 HydrophobicContact CG1-CE1 3.69Å; S201-F249 CarbonylContact C-O 3.56Å; S201-F249 WeakPolarHBondContact CA-O 3.44Å; S201-F249 WeakPolarHBondContact CB-O 3.32Å; Y202-F249 HydrophobicContact CD1-CB 3.85Å; Y202-F249 HydrophobicContact CD2-CB 3.98Å; Y202-F249 WeakPolarHBondContact CD2-O 3.25Å; Y202-F249 HydrophobicContact CE1-CB 3.59Å; Y202-F249 AromaticContact CE1-CD2 3.7Å; Y202-F249 HydrophobicContact CE1-CD2 3.7Å; Y202-F249 HydrophobicContact CE1-CG 4.13Å; Y202-F249 HydrophobicContact CE2-CB 3.72Å; Y202-F249 HydrophobicContact CG-CB 4.04Å; Y202-F249 AromaticContact CZ-CD2 3.82Å; Y202-F249 PolarHBondContact N-O 3.43Å; A225-F249 VanDerWaalsContact O-CE2 3.32Å; A225-F249 WeakPolarHBondContact O-CE2 3.47Å; L226-F249 HydrophobicContact CD2-CD2 4.19Å; L226-F249 HydrophobicContact CD2-CE2 4.32Å; Y232-F249 HydrophobicContact CE2-CE1 4.12Å; Y232-F249 HydrophobicContact CE2-CZ 4.36Å; S246-F249 PolarHBondContact O-N 3.49Å; S246-F249 WeakPolarHBondContact OG-CE2 3.44Å; S247-F249 PolarHBondContact O-N 3.07Å
250G97.4Very high98.1Very high17 Ų1712.1 Ų12.118%0.1757%0.066CC..  trans137-164.6-178.900000112.1
251T97.4Very high98.1Very high47 Ų4714 Ų1429%0.2888%0.075SC..  trans-84.3159.5179.762.80000112.6E253 E254 L255T251-E253 PolarHBondContact O-N 3.47Å; T251-E254 PolarHBondContact N-OE1 3.13Å; T251-E254 VanDerWaalsContact N-OE1 3.12Å; T251-E254 PolarHBondContact O-N 3.08Å; T251-E254 WeakPolarHBondContact OG1-CG 3.43Å; T251-E254 PolarHBondContact OG1-N 3.3Å; T251-E254 PolarHBondContact OG1-OE1 3.08Å; T251-L255 PolarHBondContact O-N 2.91Å
252P98.1Very high98.1Very high0 Ų014 Ų140%07%0.074CC..Hα-helixtrans-52.5-34.6169.7-30.236.1000114.2Y149 Y164 L255 R256 Y335Y149-P252 HydrophobicContact CD2-CG 3.79Å; Y149-P252 HydrophobicContact CE2-CG 4.31Å; Y149-P252 HydrophobicContact CG-CG 4.32Å; Y164-P252 HydrophobicContact CD1-CG 4.5Å; Y164-P252 HydrophobicContact CD2-CG 4.44Å; Y164-P252 HydrophobicContact CE1-CB 3.83Å; Y164-P252 HydrophobicContact CE1-CG 3.88Å; Y164-P252 HydrophobicContact CE2-CB 4.5Å; Y164-P252 HydrophobicContact CE2-CG 3.84Å; Y164-P252 WeakPolarHBondContact OH-CB 3.33Å; Y164-P252 WeakPolarHBondContact OH-CD 3.3Å; P252-L255 PolarHBondContact O-N 3.36Å; P252-R256 PolarHBondContact O-N 3.11Å; P252-Y335 HydrophobicContact CB-CE1 4.07Å
253E98Very high98.1Very high28 Ų2814.5 Ų14.513%0.1318%0.077CC..Hα-helixtrans-66.7-35.9176.4-54.4-44.8139.100112.9Y164 Y170 T251 L255 R256 A257Y164-E253 WeakPolarHBondContact OH-CG 3.27Å; Y164-E253 PolarHBondContact OH-OE1 2.62Å; Y170-E253 WeakPolarHBondContact CB-OE2 3.38Å; Y170-E253 PolarHBondContact N-OE2 3.49Å; T251-E253 PolarHBondContact O-N 3.47Å; E253-L255 VanDerWaalsContact C-N 3.34Å; E253-R256 PolarHBondContact O-N 2.91Å; E253-R256 IonicContact OE1-CZ 3.67Å; E253-R256 IonicContact OE1-NH1 2.84Å; E253-R256 PolarHBondContact OE1-NH1 3.36Å; E253-R256 IonicContact OE2-CZ 3.88Å; E253-R256 IonicContact OE2-NH1 3.39Å; E253-R256 PolarHBondContact OE2-NH1 3.38Å; E253-A257 PolarHBondContact O-N 3.27Å
254E98.5Very high98.1Very high52 Ų5219.9 Ų19.924%0.24310%0.097CC..Hα-helixtrans-68.7-34.6175.2-68.6170.4-115.800111.9Y202 S203 T251 A257 M258Y202-E254 HydrophobicContact CD2-CB 4.09Å; Y202-E254 HydrophobicContact CG-CB 4.43Å; S203-E254 PolarHBondContact OG-OE2 2.89Å; T251-E254 PolarHBondContact N-OE1 3.13Å; T251-E254 VanDerWaalsContact N-OE1 3.12Å; T251-E254 PolarHBondContact O-N 3.08Å; T251-E254 WeakPolarHBondContact OG1-CG 3.43Å; T251-E254 PolarHBondContact OG1-N 3.3Å; T251-E254 PolarHBondContact OG1-OE1 3.08Å; E254-A257 PolarHBondContact O-N 3.47Å; E254-M258 WeakPolarHBondContact O-CB 3.41Å; E254-M258 PolarHBondContact O-N 3.13Å
255L98.7Very high98.1Very high0 Ų021.1 Ų21.10%010%0.103CC..Hα-helixtrans-63.6-46.5171.9176.758.3000110.9Y202 L226 A245 T251 P252 E253 A257 M258 V259 W331 Y335Y202-L255 HydrophobicContact CD1-CB 4.3Å; Y202-L255 HydrophobicContact CD1-CD1 3.98Å; Y202-L255 HydrophobicContact CD2-CB 3.99Å; Y202-L255 HydrophobicContact CE1-CB 4.24Å; Y202-L255 HydrophobicContact CE1-CD1 3.83Å; Y202-L255 HydrophobicContact CE1-CG 4.43Å; Y202-L255 HydrophobicContact CE2-CB 3.94Å; Y202-L255 HydrophobicContact CG-CB 4.18Å; L226-L255 HydrophobicContact CD1-CD1 4.44Å; A245-L255 HydrophobicContact CB-CD2 3.7Å; T251-L255 PolarHBondContact O-N 2.91Å; P252-L255 PolarHBondContact O-N 3.36Å; E253-L255 VanDerWaalsContact C-N 3.34Å; L255-A257 VanDerWaalsContact C-N 3.3Å; L255-A257 PolarHBondContact O-N 2.72Å; L255-M258 HydrophobicContact CD1-CE 3.7Å; L255-M258 PolarHBondContact O-N 3.42Å; L255-V259 HydrophobicContact CD1-CG2 4.05Å; L255-V259 PolarHBondContact O-N 2.74Å; L255-W331 HydrophobicContact CD2-CH2 4.5Å; L255-W331 HydrophobicContact CD2-CZ3 3.79Å; L255-Y335 HydrophobicContact CB-CD1 4.28Å; L255-Y335 HydrophobicContact CB-CE1 4.29Å; L255-Y335 HydrophobicContact CD2-CD1 3.7Å; L255-Y335 HydrophobicContact CD2-CE1 3.78Å; L255-Y335 HydrophobicContact CD2-CG 4.14Å; L255-Y335 HydrophobicContact CG-CD1 3.84Å; L255-Y335 HydrophobicContact CG-CE1 4.19Å
256R98.5Very high98.1Very high11 Ų1122.9 Ų22.94%0.04212%0.122CC..Hα-helixtrans-55.9-46.2175.1-69.9-172.8-174.493.30.3111.5Y170 L172 P252 E253 M258 V259 D260 E334 Y335Y170-R256 HydrophobicContact CD1-CB 3.73Å; Y170-R256 HydrophobicContact CG-CB 4.04Å; L172-R256 HydrophobicContact CD2-CB 4.22Å; P252-R256 PolarHBondContact O-N 3.11Å; E253-R256 PolarHBondContact O-N 2.91Å; E253-R256 IonicContact OE1-CZ 3.67Å; E253-R256 IonicContact OE1-NH1 2.84Å; E253-R256 PolarHBondContact OE1-NH1 3.36Å; E253-R256 IonicContact OE2-CZ 3.88Å; E253-R256 IonicContact OE2-NH1 3.39Å; E253-R256 PolarHBondContact OE2-NH1 3.38Å; R256-M258 VanDerWaalsContact C-N 3.28Å; R256-M258 PolarHBondContact O-N 2.99Å; R256-V259 PolarHBondContact O-N 3.16Å; R256-D260 VanDerWaalsContact O-CB 3.28Å; R256-D260 WeakPolarHBondContact O-CB 3.28Å; R256-D260 PolarHBondContact O-N 3.28Å; R256-E334 WeakPolarHBondContact CD-O 3.22Å; R256-E334 PolarHBondContact NE-O 3.16Å; R256-E334 IonicContact NH2-OE2 3.63Å; R256-E334 PolarHBondContact NH2-OE2 3.25Å; R256-Y335 HydrophobicContact CG-CD1 3.7Å; R256-Y335 HydrophobicContact CG-CE1 4.18Å
257A98.6Very high98.2Very high15 Ų1522.9 Ų22.912%0.12412%0.122CC..Hα-helixtrans-62.8-33.1177.400000113.1Y170 K206 E253 E254 L255 E261Y170-A257 HydrophobicContact CD2-CB 3.99Å; Y170-A257 HydrophobicContact CE2-CB 3.68Å; K206-A257 HydrophobicContact CD-CB 4.41Å; K206-A257 WeakPolarHBondContact CD-O 3.3Å; E253-A257 PolarHBondContact O-N 3.27Å; E254-A257 PolarHBondContact O-N 3.47Å; L255-A257 VanDerWaalsContact C-N 3.3Å; L255-A257 PolarHBondContact O-N 2.72Å; A257-E261 WeakPolarHBondContact O-CB 3.35Å; A257-E261 PolarHBondContact O-N 2.82Å; A257-E261 VanDerWaalsContact O-N 3.14Å
258M98.9Very high98.3Very high0 Ų022.5 Ų22.50%012%0.119CC..Hα-helixtrans-72.9-43177.6-174.3-108.1-71.600112.2I190 Y202 F205 K206 L210 I223 E254 L255 R256 E261 A262I190-M258 HydrophobicContact CD1-CE 3.42Å; I190-M258 VanDerWaalsContact CD1-CE 3.42Å; I190-M258 HydrophobicContact CD1-SD 4.4Å; I190-M258 HydrophobicContact CG1-CE 4.05Å; Y202-M258 HydrophobicContact CD1-CE 3.46Å; Y202-M258 VanDerWaalsContact CD1-CE 3.46Å; Y202-M258 HydrophobicContact CE1-CE 4.19Å; Y202-M258 HydrophobicContact CG-CE 4.33Å; F205-M258 HydrophobicContact CD1-CE 4.38Å; F205-M258 HydrophobicContact CD1-CG 4.14Å; F205-M258 HydrophobicContact CD1-SD 3.84Å; F205-M258 HydrophobicContact CE1-SD 4.35Å; K206-M258 HydrophobicContact CB-CB 4.02Å; K206-M258 HydrophobicContact CB-CG 3.83Å; K206-M258 HydrophobicContact CG-CB 4.45Å; L210-M258 HydrophobicContact CD1-CG 4.27Å; I223-M258 HydrophobicContact CD1-CE 4.38Å; I223-M258 HydrophobicContact CD1-SD 4.24Å; E254-M258 WeakPolarHBondContact O-CB 3.41Å; E254-M258 PolarHBondContact O-N 3.13Å; L255-M258 HydrophobicContact CD1-CE 3.7Å; L255-M258 PolarHBondContact O-N 3.42Å; R256-M258 VanDerWaalsContact C-N 3.28Å; R256-M258 PolarHBondContact O-N 2.99Å; M258-E261 PolarHBondContact O-N 3.3Å; M258-A262 PolarHBondContact O-N 3.21Å
259V98.9Very high98.4Very high0 Ų019.6 Ų19.60%011%0.108CC..Hα-helixtrans-64.8-45174.8178.50000110.9L255 R256 E261 A262 H263 V269 Y335 F337L255-V259 HydrophobicContact CD1-CG2 4.05Å; L255-V259 PolarHBondContact O-N 2.74Å; R256-V259 PolarHBondContact O-N 3.16Å; V259-E261 VanDerWaalsContact C-N 3.26Å; V259-E261 PolarHBondContact O-N 2.99Å; V259-A262 WeakPolarHBondContact O-CB 3.44Å; V259-A262 PolarHBondContact O-N 3.49Å; V259-H263 PolarHBondContact O-N 2.93Å; V259-V269 HydrophobicContact CG1-CB 4.36Å; V259-V269 HydrophobicContact CG1-CG2 4.08Å; V259-V269 HydrophobicContact CG2-CG1 4.35Å; V259-Y335 WeakPolarHBondContact CB-O 3.28Å; V259-Y335 WeakPolarHBondContact CG1-O 3.4Å; V259-F337 HydrophobicContact CG2-CD2 4.5Å; V259-F337 HydrophobicContact CG2-CE2 3.91Å; V259-F337 HydrophobicContact CG2-CZ 4.24Å
260D98.7Very high98.5Very high1 Ų119.5 Ų19.51%0.00511%0.108CC..Hα-helixtrans-61-36178.3-163.442.3000111.7Y170 L172 K173 Y174 R256 H263 R264Y170-D260 HydrophobicContact CE1-CB 3.85Å; Y170-D260 VanDerWaalsContact CE1-OD2 3.32Å; Y170-D260 WeakPolarHBondContact CE1-OD2 3.06Å; Y170-D260 PolarHBondContact OH-OD2 3.41Å; L172-D260 HydrophobicContact CD2-CB 3.91Å; K173-D260 WeakPolarHBondContact CB-OD2 3.32Å; K173-D260 PolarHBondContact N-OD1 3.35Å; K173-D260 PolarHBondContact N-OD2 3.08Å; Y174-D260 VanDerWaalsContact CD2-O 3.26Å; Y174-D260 WeakPolarHBondContact CD2-O 3.13Å; Y174-D260 WeakPolarHBondContact CD2-OD1 3.33Å; Y174-D260 PolarHBondContact N-OD1 3.12Å; R256-D260 VanDerWaalsContact O-CB 3.28Å; R256-D260 WeakPolarHBondContact O-CB 3.28Å; R256-D260 PolarHBondContact O-N 3.28Å; D260-H263 PolarHBondContact O-N 3.38Å; D260-R264 PolarHBondContact O-N 3.05Å
261E98.8Very high98.6Very high43 Ų4318.7 Ų18.720%0.20110%0.099CC..Hα-helixtrans-69.7-37.4173.5-179.861.2-171.300112.7K206 L210 A257 M258 V259 H263 R264 L265K206-E261 HydrophobicContact CD-CB 4.07Å; K206-E261 HydrophobicContact CD-CG 4.43Å; K206-E261 HydrophobicContact CG-CB 3.63Å; K206-E261 HydrophobicContact CG-CG 3.7Å; L210-E261 HydrophobicContact CD1-CB 4.03Å; L210-E261 HydrophobicContact CD1-CG 3.86Å; A257-E261 WeakPolarHBondContact O-CB 3.35Å; A257-E261 PolarHBondContact O-N 2.82Å; A257-E261 VanDerWaalsContact O-N 3.14Å; M258-E261 PolarHBondContact O-N 3.3Å; V259-E261 VanDerWaalsContact C-N 3.26Å; V259-E261 PolarHBondContact O-N 2.99Å; E261-H263 VanDerWaalsContact C-N 3.31Å; E261-H263 PolarHBondContact O-N 2.74Å; E261-R264 VanDerWaalsContact CD-NE 3.29Å; E261-R264 WeakPolarHBondContact O-CB 3.27Å; E261-R264 PolarHBondContact O-N 3.1Å; E261-R264 IonicContact OE1-CZ 3.82Å; E261-R264 VanDerWaalsContact OE1-CZ 3.28Å; E261-R264 IonicContact OE1-NE 3.39Å; E261-R264 PolarHBondContact OE1-NE 3.37Å; E261-R264 VanDerWaalsContact OE1-NE 3.1Å; E261-R264 IonicContact OE1-NH2 3.26Å; E261-R264 PolarHBondContact OE1-NH2 3.16Å; E261-R264 WeakPolarHBondContact OE2-CD 3.45Å; E261-R264 IonicContact OE2-CZ 3.75Å; E261-R264 IonicContact OE2-NE 2.7Å; E261-R264 PolarHBondContact OE2-NE 3.1Å; E261-R264 IonicContact OE2-NH2 2.83Å; E261-L265 WeakPolarHBondContact O-CG 3.23Å; E261-L265 PolarHBondContact O-N 2.75Å; E261-L265 VanDerWaalsContact O-N 3.1Å
262A98.9Very high98.6Very high0 Ų016.6 Ų16.60%09%0.087CC..Hα-helixtrans-60.7-43.6172.800000110.6L210 I221 M258 V259 R264 L265 G266 I267 V269L210-A262 HydrophobicContact CD1-CB 4.06Å; L210-A262 HydrophobicContact CD2-CB 4.05Å; I221-A262 HydrophobicContact CD1-CB 4.45Å; M258-A262 PolarHBondContact O-N 3.21Å; V259-A262 WeakPolarHBondContact O-CB 3.44Å; V259-A262 PolarHBondContact O-N 3.49Å; A262-R264 PolarHBondContact O-N 3.14Å; A262-L265 CarbonylContact O-C 3.53Å; A262-L265 WeakPolarHBondContact O-CA 3.27Å; A262-L265 WeakPolarHBondContact O-CB 3.47Å; A262-L265 PolarHBondContact O-N 3.36Å; A262-L265 VanDerWaalsContact O-N 3.07Å; A262-G266 PolarHBondContact O-N 3.37Å; A262-G266 VanDerWaalsContact O-N 3.17Å; A262-I267 CarbonylContact C-O 3.44Å; A262-I267 HydrophobicContact CB-CB 4.22Å; A262-I267 HydrophobicContact CB-CG2 4.42Å; A262-I267 WeakPolarHBondContact O-CB 3.33Å; A262-I267 PolarHBondContact O-N 3.23Å; A262-V269 HydrophobicContact CB-CG2 3.54Å
263H98.8Very high98.6Very high12 Ų1216.6 Ų16.66%0.0569%0.087CC..Hα-helixtrans-61.4-41.4174.2-68.2178.3000112.6H176 P177 V259 D260 E261 L265 G266 G336 D338H176-H263 AromaticContact ND1-CE1 3.86Å; P177-H263 WeakPolarHBondContact CD-CD2 3.44Å; V259-H263 PolarHBondContact O-N 2.93Å; D260-H263 PolarHBondContact O-N 3.38Å; E261-H263 VanDerWaalsContact C-N 3.31Å; E261-H263 PolarHBondContact O-N 2.74Å; H263-L265 PolarHBondContact O-N 3.42Å; H263-G266 WeakPolarHBondContact O-CA 3.46Å; H263-G266 PolarHBondContact O-N 2.95Å; H263-G336 PolarHBondContact CE1-O 3.23Å; H263-G336 PolarHBondContact NE2-O 3.22Å; H263-D338 IonicContact CD2-OD2 2.79Å; H263-D338 PolarHBondContact CD2-OD2 3.28Å; H263-D338 IonicContact CE1-OD1 2.79Å; H263-D338 IonicContact CE1-OD2 3.93Å; H263-D338 IonicContact NE2-OD1 3.28Å; H263-D338 PolarHBondContact NE2-OD1 2.84Å; H263-D338 IonicContact NE2-OD2 3.16Å; H263-D338 PolarHBondContact NE2-OD2 3.13Å
264R98.6Very high98.6Very high113 Ų11315.4 Ų15.443%0.4268%0.081SC..Hα-helixtrans-56.5-36.1172.7-167.2-17371.870.50.9112.4Y174 D260 E261 A262 G266Y174-R264 HydrophobicContact CD1-CB 4.27Å; Y174-R264 HydrophobicContact CD1-CG 4.23Å; Y174-R264 HydrophobicContact CD2-CB 3.69Å; Y174-R264 HydrophobicContact CD2-CG 4.21Å; Y174-R264 HydrophobicContact CE1-CB 4.19Å; Y174-R264 HydrophobicContact CE1-CG 3.71Å; Y174-R264 HydrophobicContact CE2-CB 3.58Å; Y174-R264 HydrophobicContact CE2-CG 3.68Å; Y174-R264 HydrophobicContact CG-CB 4.04Å; Y174-R264 HydrophobicContact CG-CG 4.47Å; Y174-R264 VanDerWaalsContact OH-CD 3.26Å; Y174-R264 WeakPolarHBondContact OH-CD 3.43Å; D260-R264 PolarHBondContact O-N 3.05Å; E261-R264 VanDerWaalsContact CD-NE 3.29Å; E261-R264 WeakPolarHBondContact O-CB 3.27Å; E261-R264 PolarHBondContact O-N 3.1Å; E261-R264 IonicContact OE1-CZ 3.82Å; E261-R264 VanDerWaalsContact OE1-CZ 3.28Å; E261-R264 IonicContact OE1-NE 3.39Å; E261-R264 PolarHBondContact OE1-NE 3.37Å; E261-R264 VanDerWaalsContact OE1-NE 3.1Å; E261-R264 IonicContact OE1-NH2 3.26Å; E261-R264 PolarHBondContact OE1-NH2 3.16Å; E261-R264 WeakPolarHBondContact OE2-CD 3.45Å; E261-R264 IonicContact OE2-CZ 3.75Å; E261-R264 IonicContact OE2-NE 2.7Å; E261-R264 PolarHBondContact OE2-NE 3.1Å; E261-R264 IonicContact OE2-NH2 2.83Å; A262-R264 PolarHBondContact O-N 3.14Å; R264-G266 VanDerWaalsContact C-N 3.26Å
265L98.5Very high98.6Very high26 Ų2613 Ų1314%0.1367%0.07CC..THydrogen-bonded Turntrans-81.7-2.3177-64.3171.7000113.3L210 K214 E261 A262 H263 I267L210-L265 HydrophobicContact CB-CD1 3.78Å; K214-L265 HydrophobicContact CB-CD1 4.49Å; K214-L265 HydrophobicContact CD-CB 4.43Å; K214-L265 VanDerWaalsContact CE-O 3.29Å; K214-L265 WeakPolarHBondContact CE-O 3.48Å; K214-L265 HydrophobicContact CG-CD2 4.36Å; K214-L265 PolarHBondContact NZ-O 2.79Å; E261-L265 WeakPolarHBondContact O-CG 3.23Å; E261-L265 PolarHBondContact O-N 2.75Å; E261-L265 VanDerWaalsContact O-N 3.1Å; A262-L265 CarbonylContact O-C 3.53Å; A262-L265 WeakPolarHBondContact O-CA 3.27Å; A262-L265 WeakPolarHBondContact O-CB 3.47Å; A262-L265 PolarHBondContact O-N 3.36Å; A262-L265 VanDerWaalsContact O-N 3.07Å; H263-L265 PolarHBondContact O-N 3.42Å; L265-I267 HydrophobicContact CB-CD1 4.01Å; L265-I267 HydrophobicContact CB-CG1 4.11Å; L265-I267 HydrophobicContact CD1-CD1 4.34Å
266G97.9Very high98.6Very high39 Ų3913 Ų1340%0.4027%0.07SC..THydrogen-bonded Turntrans70.829.9-17600000113.2A262 H263 R264A262-G266 PolarHBondContact O-N 3.37Å; A262-G266 VanDerWaalsContact O-N 3.17Å; H263-G266 WeakPolarHBondContact O-CA 3.46Å; H263-G266 PolarHBondContact O-N 2.95Å; R264-G266 VanDerWaalsContact C-N 3.26Å
267I98.8Very high98.5Very high0 Ų012.8 Ų12.80%07%0.07CC..  trans-101.1124.5179.7-63.4174.3000109I213 K214 N219 I221 A262 L265I213-I267 HydrophobicContact CG2-CD1 4.26Å; K214-I267 HydrophobicContact CB-CD1 4.23Å; N219-I267 WeakPolarHBondContact O-CA 3.37Å; I221-I267 HydrophobicContact CB-CG2 4.46Å; I221-I267 HydrophobicContact CG1-CG2 4.12Å; I221-I267 HydrophobicContact CG2-CG2 3.92Å; A262-I267 CarbonylContact C-O 3.44Å; A262-I267 HydrophobicContact CB-CB 4.22Å; A262-I267 HydrophobicContact CB-CG2 4.42Å; A262-I267 WeakPolarHBondContact O-CB 3.33Å; A262-I267 PolarHBondContact O-N 3.23Å; L265-I267 HydrophobicContact CB-CD1 4.01Å; L265-I267 HydrophobicContact CB-CG1 4.11Å; L265-I267 HydrophobicContact CD1-CD1 4.34Å
268V98.8Very high98.5Very high5 Ų512.1 Ų12.13%0.036%0.064CC..EExtended strand (participates in β ladder)trans-69135.7170.6172.20000109.7P177 P180 N219 A220 I221 L270 D338 I394P177-V268 HydrophobicContact CB-CG2 4.42Å; P177-V268 HydrophobicContact CG-CB 4.44Å; P177-V268 HydrophobicContact CG-CG2 3.84Å; P180-V268 HydrophobicContact CG-CG2 4.22Å; N219-V268 PolarHBondContact O-N 2.91Å; A220-V268 CarbonylContact C-O 3.58Å; A220-V268 WeakPolarHBondContact CA-O 3.26Å; A220-V268 HydrophobicContact CB-CB 3.94Å; A220-V268 HydrophobicContact CB-CG1 4.32Å; I221-V268 PolarHBondContact N-O 3.04Å; V268-L270 HydrophobicContact CG1-CD2 3.7Å; V268-L270 HydrophobicContact CG1-CG 4.21Å; V268-D338 WeakPolarHBondContact CA-OD2 3.43Å; V268-D338 HydrophobicContact CB-CB 4.43Å; V268-D338 HydrophobicContact CG1-CB 3.58Å; V268-I394 HydrophobicContact CG1-CD1 4.14Å
269V98.9Very high98.4Very high0 Ų012.2 Ų12.20%07%0.065CC..EExtended strand (participates in β ladder)trans-112.2112.5179.3-171.60000110.8I221 I223 V259 A262 F337 D338I221-V269 HydrophobicContact CD1-CG1 4.09Å; I221-V269 HydrophobicContact CD1-CG2 4.01Å; I221-V269 HydrophobicContact CG1-CB 4.26Å; I221-V269 HydrophobicContact CG1-CG1 4.03Å; I221-V269 HydrophobicContact CG1-CG2 4.06Å; I223-V269 HydrophobicContact CD1-CG1 3.65Å; I223-V269 HydrophobicContact CG1-CG1 4.29Å; V259-V269 HydrophobicContact CG1-CB 4.36Å; V259-V269 HydrophobicContact CG1-CG2 4.08Å; V259-V269 HydrophobicContact CG2-CG1 4.35Å; A262-V269 HydrophobicContact CB-CG2 3.54Å; V269-F337 HydrophobicContact CB-CD1 4.46Å; V269-F337 HydrophobicContact CG1-CD1 3.79Å; V269-F337 HydrophobicContact CG1-CE1 3.53Å; V269-F337 HydrophobicContact CG1-CZ 4.04Å; V269-D338 PolarHBondContact N-OD2 3.4Å; V269-D338 PolarHBondContact O-N 3.29Å
270L98.9Very high98.2Very high0 Ų016.8 Ų16.80%09%0.085CC..EExtended strand (participates in β ladder)trans-101.8135.2177.2-49.2177.9000110.2I185 I221 Q222 I223 V268 G339 I394 I396I185-L270 HydrophobicContact CD1-CD1 4.31Å; I221-L270 WeakPolarHBondContact O-CB 2.94Å; I221-L270 PolarHBondContact O-N 2.88Å; Q222-L270 WeakPolarHBondContact CA-O 3.05Å; Q222-L270 HydrophobicContact CB-CB 4.35Å; I223-L270 PolarHBondContact N-O 2.85Å; V268-L270 HydrophobicContact CG1-CD2 3.7Å; V268-L270 HydrophobicContact CG1-CG 4.21Å; L270-G339 WeakPolarHBondContact CA-O 3.27Å; L270-I394 HydrophobicContact CD2-CB 4.08Å; L270-I396 HydrophobicContact CD1-CD1 3.71Å
271L98.8Very high98.1Very high0 Ų019.1 Ų19.10%010%0.097CC..EExtended strand (participates in β ladder)trans-92.1135172.3175.865.8000110.1L226 V273 W331 F337 G339 F340 R341L226-L271 HydrophobicContact CB-CD1 3.66Å; L226-L271 HydrophobicContact CD1-CD1 3.88Å; L226-L271 HydrophobicContact CG-CD1 4.23Å; L271-V273 PolarHBondContact O-N 2.83Å; L271-W331 HydrophobicContact CD2-CB 4.04Å; L271-W331 VanDerWaalsContact CD2-CD1 3.42Å; L271-W331 HydrophobicContact CD2-CD2 3.49Å; L271-W331 VanDerWaalsContact CD2-CD2 3.49Å; L271-W331 HydrophobicContact CD2-CE3 4.12Å; L271-W331 HydrophobicContact CD2-CG 3.39Å; L271-F337 HydrophobicContact CB-CD1 3.5Å; L271-F337 VanDerWaalsContact CB-CD1 3.5Å; L271-F337 HydrophobicContact CB-CE1 3.63Å; L271-F337 HydrophobicContact CB-CG 4.34Å; L271-F337 HydrophobicContact CD1-CE1 4.24Å; L271-F337 HydrophobicContact CG-CE1 4.5Å; L271-G339 PolarHBondContact N-O 3.24Å; L271-F340 HydrophobicContact CB-CD1 3.86Å; L271-F340 HydrophobicContact CB-CE1 4.04Å; L271-F340 HydrophobicContact CD2-CD1 4.32Å; L271-F340 HydrophobicContact CD2-CE1 4.03Å; L271-F340 HydrophobicContact CG-CD1 4.46Å; L271-F340 CarbonylContact O-C 3.59Å; L271-F340 VanDerWaalsContact O-CA 3.3Å; L271-F340 WeakPolarHBondContact O-CA 3.35Å; L271-R341 PolarHBondContact O-N 3.11Å
272D98.5Very high98Very high4 Ų419.1 Ų19.12%0.02110%0.1CC..EExtended strand (participates in β ladder)trans-77.8107.2163.2-151.1-33.7000109.9Q222 I223 M224 R341Q222-D272 PolarHBondContact NE2-OD2 3.25Å; I223-D272 WeakPolarHBondContact O-CB 3.38Å; I223-D272 PolarHBondContact O-N 3.1Å; M224-D272 HydrophobicContact CB-CB 4.44Å; M224-D272 HydrophobicContact CG-CB 4.22Å; D272-R341 WeakPolarHBondContact CA-O 3.36Å; D272-R341 VanDerWaalsContact CG-CD 3.48Å; D272-R341 WeakPolarHBondContact OD1-CD 3.44Å; D272-R341 IonicContact OD1-CZ 3Å; D272-R341 IonicContact OD1-NE 3.98Å; D272-R341 IonicContact OD1-NH1 3.51Å; D272-R341 PolarHBondContact OD1-NH1 3.21Å; D272-R341 WeakPolarHBondContact OD2-CD 3.22Å; D272-R341 IonicContact OD2-CZ 3.48Å; D272-R341 IonicContact OD2-NE 2.8Å; D272-R341 IonicContact OD2-NH1 2.77Å; D272-R341 PolarHBondContact OD2-NH1 2.96Å
273V98.5Very high97.8Very high0 Ų022.6 Ų22.60%012%0.119CC..EExtended strand (participates in β ladder)trans-108.7126.9-172.1380000111.3M227 L271 H275 L328 F340 R341 F342 D343M227-V273 HydrophobicContact CE-CB 4.29Å; M227-V273 HydrophobicContact CE-CG2 4.45Å; L271-V273 PolarHBondContact O-N 2.83Å; V273-H275 HydrophobicContact CG2-CB 4.38Å; V273-H275 WeakPolarHBondContact CG2-CD2 2.91Å; V273-H275 VanDerWaalsContact CG2-CE1 3.43Å; V273-H275 WeakPolarHBondContact CG2-CE1 3.48Å; V273-H275 VanDerWaalsContact CG2-CG 3.46Å; V273-H275 VanDerWaalsContact CG2-NE2 3.31Å; V273-H275 WeakPolarHBondContact CG2-NE2 3.48Å; V273-H275 PolarHBondContact O-N 2.85Å; V273-L328 HydrophobicContact CG1-CD2 4.44Å; V273-L328 HydrophobicContact CG2-CD2 4.17Å; V273-F340 HydrophobicContact CB-CD1 4.22Å; V273-F340 HydrophobicContact CG1-CB 3.53Å; V273-F340 HydrophobicContact CG1-CD1 3.52Å; V273-F340 HydrophobicContact CG1-CG 3.81Å; V273-R341 VanDerWaalsContact CG1-O 3.29Å; V273-R341 WeakPolarHBondContact CG1-O 3.37Å; V273-R341 PolarHBondContact N-O 3.03Å; V273-F342 HydrophobicContact CG1-CD1 4.46Å; V273-F342 HydrophobicContact CG1-CD2 4.09Å; V273-F342 HydrophobicContact CG1-CE2 4.35Å; V273-F342 HydrophobicContact CG1-CG 4.18Å; V273-D343 WeakPolarHBondContact O-CB 3.13Å; V273-D343 PolarHBondContact O-N 3.29Å
274V98Very high97.6Very high3 Ų322.3 Ų22.32%0.01812%0.117CC..  trans-10375.2-174.6-165.40000110.8M227 Y237 V239 F242 H277 D343M227-V274 HydrophobicContact CE-CB 4.34Å; M227-V274 HydrophobicContact CE-CG2 4.22Å; Y237-V274 HydrophobicContact CD1-CG2 3.73Å; Y237-V274 HydrophobicContact CE1-CG2 4.35Å; V239-V274 HydrophobicContact CG2-CB 3.97Å; V239-V274 HydrophobicContact CG2-CG2 3.91Å; F242-V274 VanDerWaalsContact CE1-O 3.25Å; F242-V274 WeakPolarHBondContact CE1-O 3.36Å; V274-H277 VanDerWaalsContact O-O 3.09Å; V274-D343 HydrophobicContact CB-CB 4.48Å; V274-D343 HydrophobicContact CG1-CB 4.47Å; V274-D343 HydrophobicContact CG2-CB 4.17Å
275H98.5Very high97.5Very high0 Ų017.2 Ų17.20%010%0.1CC..  trans-95.50.1176.9-70.1177.9000113.7V273 F313 Y315 L324 N327 Y378V273-H275 HydrophobicContact CG2-CB 4.38Å; V273-H275 WeakPolarHBondContact CG2-CD2 2.91Å; V273-H275 VanDerWaalsContact CG2-CE1 3.43Å; V273-H275 WeakPolarHBondContact CG2-CE1 3.48Å; V273-H275 VanDerWaalsContact CG2-CG 3.46Å; V273-H275 VanDerWaalsContact CG2-NE2 3.31Å; V273-H275 WeakPolarHBondContact CG2-NE2 3.48Å; V273-H275 PolarHBondContact O-N 2.85Å; H275-F313 WeakPolarHBondContact O-CD2 3.31Å; H275-Y315 PolarHBondContact O-OH 2.58Å; H275-L324 HydrophobicContact CB-CD2 4.38Å; H275-L324 PolarHBondContact CE1-O 3.31Å; H275-L324 VanDerWaalsContact CE1-O 3.3Å; H275-N327 PolarHBondContact NE2-OD1 2.7Å; H275-Y378 HydrophobicContact CB-CE1 4.11Å; H275-Y378 PolarHBondContact CE1-OH 2.65Å; H275-Y378 AromaticContact ND1-CZ 3.8Å; H275-Y378 PolarHBondContact ND1-OH 3.04Å
276S97.4Very high97.5Very high1 Ų116.1 Ų16.11%0.0079%0.094CC..SBendtrans-74.8-34.7172.4570000112.2L312 D343 M348S276-L312 VanDerWaalsContact O-CD2 3.24Å; S276-L312 WeakPolarHBondContact O-CD2 3.24Å; S276-D343 VanDerWaalsContact CB-O 3.31Å; S276-D343 WeakPolarHBondContact CB-O 3.36Å; S276-D343 PolarHBondContact OG-O 3.22Å; S276-D343 VanDerWaalsContact OG-O 3.06Å; S276-M348 VanDerWaalsContact CB-CG 3.49Å
277H97.5Very high97.5Very high7 Ų715 Ų153%0.0328%0.079CC..  trans-158.5175.1-176.263.3-80.6000112.9Y237 V274 W308 S310 R311 L312 D343Y237-H277 PolarHBondContact O-NE2 2.85Å; V274-H277 VanDerWaalsContact O-O 3.09Å; H277-W308 AromaticContact CE1-CE3 3.7Å; H277-W308 AromaticContact CE1-CZ3 3.9Å; H277-W308 AromaticContact ND1-CE3 3.55Å; H277-W308 AromaticContact ND1-CZ3 3.58Å; H277-S310 WeakPolarHBondContact CB-OG 3.25Å; H277-S310 VanDerWaalsContact CD2-CB 3.43Å; H277-S310 WeakPolarHBondContact CD2-CB 3.39Å; H277-S310 PolarHBondContact CD2-OG 2.95Å; H277-S310 VanDerWaalsContact CD2-OG 3.29Å; H277-R311 CarbonylContact C-O 3.6Å; H277-R311 WeakPolarHBondContact CA-O 3.44Å; H277-R311 WeakPolarHBondContact CB-O 3.26Å; H277-L312 HydrophobicContact CB-CD2 4.05Å; H277-D343 IonicContact CE1-OD2 2.78Å; H277-D343 PolarHBondContact CE1-OD2 3.15Å
278A97.8Very high97.4Very high1 Ų117.3 Ų17.31%0.0089%0.09CC..EExtended strand (participates in β ladder)trans-141.2166.2171.300000111F242 F297 S310 R311 F313F242-A278 HydrophobicContact CE2-CB 3.84Å; F242-A278 HydrophobicContact CZ-CB 3.84Å; A278-F297 HydrophobicContact CB-CE1 3.78Å; A278-F297 HydrophobicContact CB-CZ 3.63Å; A278-S310 VanDerWaalsContact O-CB 3.32Å; A278-S310 WeakPolarHBondContact O-CB 3.42Å; A278-R311 PolarHBondContact N-O 3.48Å; A278-R311 PolarHBondContact O-N 3.2Å; A278-F313 HydrophobicContact CB-CE2 4.23Å; A278-F313 HydrophobicContact CB-CZ 4Å
279S96.6Very high97.4Very high2 Ų217.1 Ų17.11%0.0149%0.089CC..EExtended strand (participates in β ladder)trans-56.5144.4173.1178.60000112.2V239 N281V239-S279 VanDerWaalsContact O-CB 3.31Å; V239-S279 WeakPolarHBondContact O-CB 3.32Å; V239-S279 PolarHBondContact O-N 3.11Å; S279-N281 PolarHBondContact O-N 3.2Å; S279-N281 WeakPolarHBondContact OG-CB 3.21Å; S279-N281 VanDerWaalsContact OG-CG 3.29Å; S279-N281 PolarHBondContact OG-N 3.35Å; S279-N281 PolarHBondContact OG-OD1 2.94Å; S279-N281 VanDerWaalsContact OG-OD1 3.11Å
280K96.1Very high97.3Very high96 Ų9617.2 Ų17.242%0.4179%0.089SC..  trans-74.5-1.9172.968.7174.9175.4-175.10114.2T282 N287 D309 R311K280-T282 PolarHBondContact O-N 3.46Å; K280-N287 WeakPolarHBondContact O-CB 3.33Å; K280-N287 PolarHBondContact O-ND2 2.75Å; K280-D309 WeakPolarHBondContact CD-OD1 3.26Å; K280-D309 WeakPolarHBondContact CE-OD1 3.46Å; K280-D309 WeakPolarHBondContact CE-OD2 2.95Å; K280-D309 IonicContact NZ-OD1 2.75Å; K280-D309 PolarHBondContact NZ-OD1 2.87Å; K280-D309 IonicContact NZ-OD2 3.62Å; K280-D309 PolarHBondContact NZ-OD2 3.2Å; K280-R311 HydrophobicContact CB-CG 4.14Å
281N95.9Very high97.2Very high49 Ų4917.6 Ų17.626%0.2629%0.093SC..  trans-56.3134.8179.3-78.624.7000111.8A230 T240 S279 D284 G285 N287A230-N281 WeakPolarHBondContact CB-ND2 3.04Å; T240-N281 HydrophobicContact CG2-CB 4.13Å; S279-N281 PolarHBondContact O-N 3.2Å; S279-N281 WeakPolarHBondContact OG-CB 3.21Å; S279-N281 VanDerWaalsContact OG-CG 3.29Å; S279-N281 PolarHBondContact OG-N 3.35Å; S279-N281 PolarHBondContact OG-OD1 2.94Å; S279-N281 VanDerWaalsContact OG-OD1 3.11Å; N281-D284 VanDerWaalsContact CB-OD1 3.29Å; N281-D284 WeakPolarHBondContact CB-OD1 3.35Å; N281-D284 PolarHBondContact ND2-OD1 3.33Å; N281-G285 CarbonylContact O-C 3.57Å; N281-G285 VanDerWaalsContact O-CA 3.24Å; N281-G285 WeakPolarHBondContact O-CA 3.42Å; N281-N287 WeakPolarHBondContact O-CB 3.44Å; N281-N287 PolarHBondContact O-N 2.98Å
282T96.2Very high97.1Very high44 Ų4420 Ų2027%0.2711%0.108SC..SBendtrans-101.2-28.4-178.358.60000114.4R142 K280 N287 Q288R142-T282 VanDerWaalsContact CD-O 3.27Å; R142-T282 WeakPolarHBondContact CD-O 3.27Å; R142-T282 PolarHBondContact NE-O 3.22Å; R142-T282 VanDerWaalsContact NE-O 3.15Å; R142-T282 PolarHBondContact NH1-O 2.86Å; R142-T282 VanDerWaalsContact NH1-O 3.11Å; K280-T282 PolarHBondContact O-N 3.46Å; T282-N287 VanDerWaalsContact CA-O 3.25Å; T282-N287 WeakPolarHBondContact CA-O 3.49Å; T282-N287 HydrophobicContact CG2-CB 4.25Å; T282-Q288 HydrophobicContact CG2-CB 4.22Å; T282-Q288 HydrophobicContact CG2-CG 4.36Å
283N95Very high96.9Very high73 Ų7323 Ų2339%0.3912%0.124SC..SBendtrans-86.2-39.2-173.8-69-9.3000112I158I158-N283 HydrophobicContact CD1-CB 4.32Å; I158-N283 HydrophobicContact CG2-CB 4.13Å
284D95.2Very high96.7Very high5 Ų524.8 Ų24.83%0.02714%0.139CC..SBendtrans-120.2-1.7179.856.8-2.6000113.9L143 I158 Y159 T240 N281L143-D284 HydrophobicContact CD1-CB 3.81Å; L143-D284 HydrophobicContact CG-CB 4.31Å; I158-D284 HydrophobicContact CG2-CB 4.11Å; Y159-D284 PolarHBondContact N-OD2 3.47Å; T240-D284 WeakPolarHBondContact CB-O 3.17Å; N281-D284 VanDerWaalsContact CB-OD1 3.29Å; N281-D284 WeakPolarHBondContact CB-OD1 3.35Å; N281-D284 PolarHBondContact ND2-OD1 3.33Å
285G96.5Very high96.7Very high6 Ų624.8 Ų24.86%0.06214%0.139CC..SBendtrans-108.7-179.8172.300000112.6N281 N287N281-G285 CarbonylContact O-C 3.57Å; N281-G285 VanDerWaalsContact O-CA 3.24Å; N281-G285 WeakPolarHBondContact O-CA 3.42Å; G285-N287 VanDerWaalsContact C-N 3.32Å; G285-N287 PolarHBondContact O-N 3.17Å
286L97.8Very high96.6Very high4 Ų424.9 Ų24.92%0.02114%0.14CC..SBendtrans-78.8-13.9-177.2-57.9-178.7000113.6P145 F242 Q288 F289 Y296 F297 F313 F323P145-L286 HydrophobicContact CB-CD2 3.5Å; P145-L286 HydrophobicContact CG-CD2 3.81Å; F242-L286 HydrophobicContact CD2-CD1 3.8Å; F242-L286 HydrophobicContact CE2-CD1 3.7Å; L286-Q288 PolarHBondContact O-N 3.46Å; L286-F289 WeakPolarHBondContact O-CB 3.35Å; L286-F289 PolarHBondContact O-N 2.85Å; L286-Y296 HydrophobicContact CB-CD2 4.42Å; L286-F297 HydrophobicContact CB-CE2 3.77Å; L286-F297 HydrophobicContact CB-CZ 3.72Å; L286-F297 HydrophobicContact CD1-CZ 4.37Å; L286-F313 HydrophobicContact CD1-CE1 4.01Å; L286-F313 HydrophobicContact CD1-CZ 4.23Å; L286-F323 HydrophobicContact CD1-CE1 3.89Å; L286-F323 HydrophobicContact CD1-CZ 3.78Å; L286-F323 HydrophobicContact CD2-CZ 4.47Å
287N97.3Very high96.7Very high14 Ų1424.9 Ų24.98%0.07514%0.139CC..THydrogen-bonded Turntrans-68.8130-173-17130.6000110K280 N281 T282 G285 F289 F297 R311K280-N287 WeakPolarHBondContact O-CB 3.33Å; K280-N287 PolarHBondContact O-ND2 2.75Å; N281-N287 WeakPolarHBondContact O-CB 3.44Å; N281-N287 PolarHBondContact O-N 2.98Å; T282-N287 VanDerWaalsContact CA-O 3.25Å; T282-N287 WeakPolarHBondContact CA-O 3.49Å; T282-N287 HydrophobicContact CG2-CB 4.25Å; G285-N287 VanDerWaalsContact C-N 3.32Å; G285-N287 PolarHBondContact O-N 3.17Å; N287-F289 PolarHBondContact O-N 3.21Å; N287-F297 HydrophobicContact CB-CE2 4.17Å; N287-R311 HydrophobicContact CB-CG 4.3Å; N287-R311 PolarHBondContact OD1-NE 2.96Å
288Q97.2Very high96.6Very high50 Ų5025.2 Ų25.223%0.23414%0.141CC..THydrogen-bonded Turntrans53.535.1-175.8-53.9175.87.100114.1R142 T282 L286 D290 G291 T292 N293R142-Q288 PolarHBondContact NE-O 3.18Å; R142-Q288 PolarHBondContact NH2-O 3.22Å; T282-Q288 HydrophobicContact CG2-CB 4.22Å; T282-Q288 HydrophobicContact CG2-CG 4.36Å; L286-Q288 PolarHBondContact O-N 3.46Å; Q288-D290 VanDerWaalsContact C-N 3.35Å; Q288-D290 PolarHBondContact O-N 3.36Å; Q288-G291 PolarHBondContact O-N 3.43Å; Q288-G291 VanDerWaalsContact O-N 3.11Å; Q288-T292 WeakPolarHBondContact CA-O 3.26Å; Q288-N293 PolarHBondContact NE2-OD1 2.89Å
289F98Very high96.5Very high1 Ų128.8 Ų28.80%0.00416%0.16CC..THydrogen-bonded Turntrans-52.3-51.2178.5173.8-109.2000112W78 A79 M85 L130 R142 L143 P145 L286 N287 G291 Y296W78-F289 WeakPolarHBondContact O-CE1 3.23Å; A79-F289 HydrophobicContact CB-CD1 4.29Å; A79-F289 HydrophobicContact CB-CE1 3.86Å; M85-F289 HydrophobicContact CE-CZ 4.4Å; L130-F289 HydrophobicContact CD1-CE2 3.88Å; L130-F289 HydrophobicContact CD1-CZ 3.8Å; R142-F289 HydrophobicContact CB-CD2 3.97Å; R142-F289 HydrophobicContact CB-CE2 3.82Å; R142-F289 HydrophobicContact CG-CD2 4.04Å; R142-F289 HydrophobicContact CG-CE2 4.27Å; R142-F289 PolarHBondContact NE-O 3.49Å; L143-F289 WeakPolarHBondContact O-CE2 3.38Å; P145-F289 VanDerWaalsContact CD-CE2 3.49Å; P145-F289 HydrophobicContact CG-CD1 4.26Å; P145-F289 HydrophobicContact CG-CD2 4.01Å; P145-F289 HydrophobicContact CG-CE1 4.05Å; P145-F289 HydrophobicContact CG-CE2 3.83Å; P145-F289 HydrophobicContact CG-CG 4.23Å; P145-F289 HydrophobicContact CG-CZ 3.83Å; L286-F289 WeakPolarHBondContact O-CB 3.35Å; L286-F289 PolarHBondContact O-N 2.85Å; N287-F289 PolarHBondContact O-N 3.21Å; F289-G291 VanDerWaalsContact C-N 3.31Å; F289-G291 PolarHBondContact O-N 2.95Å; F289-Y296 HydrophobicContact CB-CD2 4.37Å; F289-Y296 HydrophobicContact CB-CE2 4.35Å; F289-Y296 AromaticContact CD1-CE2 3.86Å; F289-Y296 HydrophobicContact CD1-CE2 3.86Å; F289-Y296 HydrophobicContact CG-CE2 4.24Å
290D97.8Very high96.2Very high1 Ų135 Ų351%0.00519%0.192CC..THydrogen-bonded Turntrans-89.48.2-179.972.8-5.8000114.1A79 P80 G81 Q288 T292 C295A79-D290 HydrophobicContact CB-CB 3.78Å; P80-D290 WeakPolarHBondContact CD-OD2 3.16Å; G81-D290 CarbonylContact C-O 3.57Å; G81-D290 VanDerWaalsContact CA-OD2 3.26Å; G81-D290 WeakPolarHBondContact CA-OD2 3.39Å; G81-D290 PolarHBondContact N-OD2 3.24Å; Q288-D290 VanDerWaalsContact C-N 3.35Å; Q288-D290 PolarHBondContact O-N 3.36Å; D290-T292 WeakPolarHBondContact OD1-CA 3.48Å; D290-T292 WeakPolarHBondContact OD1-CB 3.38Å; D290-T292 PolarHBondContact OD1-N 3.11Å; D290-T292 PolarHBondContact OD1-OG1 3.25Å; D290-T292 PolarHBondContact OD2-OG1 2.84Å; D290-C295 HydrophobicContact CB-CB 4.4Å; D290-C295 WeakPolarHBondContact OD1-CB 3.2Å
291G97Very high95.9Very high9 Ų933.1 Ų33.19%0.09320%0.2CC..SBendtrans88.6-5.2-175.200000115.4R138 Q288 F289R138-G291 PolarHBondContact NH2-O 3.01Å; Q288-G291 PolarHBondContact O-N 3.43Å; Q288-G291 VanDerWaalsContact O-N 3.11Å; F289-G291 VanDerWaalsContact C-N 3.31Å; F289-G291 PolarHBondContact O-N 2.95Å
292T96.6Very high95.8Very high50 Ų5035.8 Ų35.831%0.30721%0.207SC..SBendtrans-107.5160.9176.9780000111.9Q288 D290 A294Q288-T292 WeakPolarHBondContact CA-O 3.26Å; D290-T292 WeakPolarHBondContact OD1-CA 3.48Å; D290-T292 WeakPolarHBondContact OD1-CB 3.38Å; D290-T292 PolarHBondContact OD1-N 3.11Å; D290-T292 PolarHBondContact OD1-OG1 3.25Å; D290-T292 PolarHBondContact OD2-OG1 2.84Å; T292-A294 VanDerWaalsContact C-N 3.26Å; T292-A294 PolarHBondContact O-N 3.2Å; T292-A294 PolarHBondContact OG1-N 2.99Å
293N94.6Very high95.7Very high66 Ų6633.7 Ų33.735%0.35319%0.194SC..THydrogen-bonded Turntrans-76.7-12.1176.9-70.6-29.7000114.1Q288 D299 R311Q288-N293 PolarHBondContact NE2-OD1 2.89Å; N293-D299 WeakPolarHBondContact CB-OD1 3.21Å; N293-R311 PolarHBondContact O-NH2 3.4Å; N293-R311 VanDerWaalsContact O-NH2 3.14Å
294A94.2Very high95.7Very high39 Ų3932.7 Ų32.732%0.32219%0.191SC..THydrogen-bonded Turntrans-112.67.6-161.400000114.9T292 F297 D299T292-A294 VanDerWaalsContact C-N 3.26Å; T292-A294 PolarHBondContact O-N 3.2Å; T292-A294 PolarHBondContact OG1-N 2.99Å; A294-F297 CarbonylContact C-O 3.57Å; A294-F297 VanDerWaalsContact C-O 3.31Å; A294-F297 VanDerWaalsContact CA-O 3.27Å; A294-F297 WeakPolarHBondContact CA-O 3.38Å; A294-D299 HydrophobicContact CB-CB 3.99Å
295C96.8Very high95.6Very high3 Ų332.5 Ų32.52%0.0219%0.189CC..SBendtrans-59.5-77.6-176.9-174.10000112.4W78 D290W78-C295 WeakPolarHBondContact CH2-O 3.06Å; W78-C295 WeakPolarHBondContact CZ3-O 3.32Å; D290-C295 HydrophobicContact CB-CB 4.4Å; D290-C295 WeakPolarHBondContact OD1-CB 3.2Å
296Y98.1Very high95.3Very high2 Ų240.7 Ų40.71%0.00823%0.226CC..SBendtrans-90.3-10.6178.1-72.7-87.2000113.5W78 P145 L286 F289 F313 N314 V320 F323W78-Y296 AromaticContact CE3-CE1 3.98Å; W78-Y296 HydrophobicContact CE3-CE1 3.98Å; W78-Y296 HydrophobicContact CE3-CE2 4.32Å; W78-Y296 AromaticContact CE3-CZ 3.85Å; W78-Y296 HydrophobicContact CZ3-CD1 4.19Å; W78-Y296 HydrophobicContact CZ3-CE1 4.11Å; W78-Y296 HydrophobicContact CZ3-CG 4.46Å; P145-Y296 HydrophobicContact CB-CE2 4.38Å; P145-Y296 HydrophobicContact CG-CE2 3.85Å; P145-Y296 WeakPolarHBondContact CG-OH 3.41Å; L286-Y296 HydrophobicContact CB-CD2 4.42Å; F289-Y296 HydrophobicContact CB-CD2 4.37Å; F289-Y296 HydrophobicContact CB-CE2 4.35Å; F289-Y296 AromaticContact CD1-CE2 3.86Å; F289-Y296 HydrophobicContact CD1-CE2 3.86Å; F289-Y296 HydrophobicContact CG-CE2 4.24Å; Y296-F313 WeakPolarHBondContact O-CA 3.12Å; Y296-F313 WeakPolarHBondContact O-CD1 3.43Å; Y296-N314 PolarHBondContact O-N 2.84Å; Y296-V320 HydrophobicContact CD1-CG2 4.12Å; Y296-F323 HydrophobicContact CD1-CD1 4.43Å; Y296-F323 HydrophobicContact CD1-CG 4.35Å; Y296-F323 HydrophobicContact CE1-CB 4.13Å; Y296-F323 HydrophobicContact CE1-CD1 4.45Å; Y296-F323 HydrophobicContact CE1-CD2 4Å; Y296-F323 AromaticContact CE1-CG 3.94Å; Y296-F323 HydrophobicContact CE1-CG 3.94Å
297F98.1Very high95Very high1 Ų146.3 Ų46.30%0.00426%0.256CS..BIsolated β-bridgetrans-125.2159.3-168.3-56-60.1000111.1A278 L286 N287 A294 R311 L312 F313A278-F297 HydrophobicContact CB-CE1 3.78Å; A278-F297 HydrophobicContact CB-CZ 3.63Å; L286-F297 HydrophobicContact CB-CE2 3.77Å; L286-F297 HydrophobicContact CB-CZ 3.72Å; L286-F297 HydrophobicContact CD1-CZ 4.37Å; N287-F297 HydrophobicContact CB-CE2 4.17Å; A294-F297 CarbonylContact C-O 3.57Å; A294-F297 VanDerWaalsContact C-O 3.31Å; A294-F297 VanDerWaalsContact CA-O 3.27Å; A294-F297 WeakPolarHBondContact CA-O 3.38Å; F297-R311 HydrophobicContact CD1-CB 3.76Å; F297-R311 HydrophobicContact CD2-CB 3.86Å; F297-R311 HydrophobicContact CD2-CG 4.38Å; F297-R311 HydrophobicContact CE1-CB 3.85Å; F297-R311 HydrophobicContact CE2-CB 3.93Å; F297-R311 HydrophobicContact CE2-CG 4.48Å; F297-R311 HydrophobicContact CG-CB 3.77Å; F297-R311 HydrophobicContact CZ-CB 3.93Å; F297-L312 VanDerWaalsContact CA-O 3.26Å; F297-L312 WeakPolarHBondContact CA-O 3.44Å; F297-L312 WeakPolarHBondContact CB-O 3.48Å; F297-L312 WeakPolarHBondContact CD1-O 3.41Å; F297-F313 HydrophobicContact CD1-CD1 4.11Å; F297-F313 HydrophobicContact CD1-CE1 4.5Å; F297-F313 HydrophobicContact CD1-CG 4.4Å; F297-F313 AromaticContact CE1-CD1 3.78Å; F297-F313 HydrophobicContact CE1-CD1 3.78Å; F297-F313 AromaticContact CE1-CE1 3.74Å; F297-F313 HydrophobicContact CE1-CE1 3.74Å; F297-F313 HydrophobicContact CE1-CG 4.2Å; F297-F313 HydrophobicContact CE1-CZ 4.13Å; F297-F313 HydrophobicContact CZ-CE1 4.35Å
298H96.5Very high94.7Very high13 Ų1350 Ų506%0.0627%0.268CS..  trans-63.2150.1168-67.7-66.8000110.3R302 G303 R311 L312 F313 N314 E374H298-R302 HydrophobicContact CB-CB 4Å; H298-R302 HydrophobicContact CB-CG 3.9Å; H298-R302 PolarHBondContact CE1-NH1 3.17Å; H298-G303 VanDerWaalsContact O-CA 3.26Å; H298-G303 WeakPolarHBondContact O-CA 3.32Å; H298-R311 PolarHBondContact O-NH2 2.69Å; H298-L312 PolarHBondContact N-O 3.27Å; H298-F313 PolarHBondContact CD2-O 2.59Å; H298-F313 PolarHBondContact NE2-O 3.02Å; H298-N314 PolarHBondContact CE1-OD1 3.3Å; H298-N314 PolarHBondContact ND1-OD1 3.19Å; H298-E374 IonicContact CE1-OE2 3.18Å; H298-E374 PolarHBondContact CE1-OE2 3.09Å; H298-E374 IonicContact NE2-OE2 3.91Å
299D94.5Very high94.4Very high76 Ų7651.5 Ų51.541%0.40628%0.278SS..SBendtrans-77.2163.8173.1-155.7-3.8000111.4N293 A294N293-D299 WeakPolarHBondContact CB-OD1 3.21Å; A294-D299 HydrophobicContact CB-CB 3.99Å
300L91.5Very high94.3Very high133 Ų13351.4 Ų51.470%0.69628%0.278SS*.G310 helixtrans55.3-148.3174.1-54175.7000112.3R302 G303L300-R302 VanDerWaalsContact C-N 3.27Å; L300-R302 PolarHBondContact O-N 3.49Å; L300-G303 PolarHBondContact O-N 3.46Å
301G89.5Confident94.3Very high57 Ų5752.2 Ų52.259%0.58828%0.281SS*.G310 helixtrans-63-29.7-176.700000113.7G303 T304G301-G303 PolarHBondContact O-N 3.39Å; G301-T304 PolarHBondContact O-N 3.21Å; G301-T304 VanDerWaalsContact O-N 3.11Å
302R92.8Very high94.3Very high105 Ų10552.4 Ų52.440%0.39628%0.279SS..G310 helixtrans-62.8-26.7178.4-171.2178.8-177.2-162.8-2.7112.4H298 L300 L312 D372 E374H298-R302 HydrophobicContact CB-CB 4Å; H298-R302 HydrophobicContact CB-CG 3.9Å; H298-R302 PolarHBondContact CE1-NH1 3.17Å; L300-R302 VanDerWaalsContact C-N 3.27Å; L300-R302 PolarHBondContact O-N 3.49Å; R302-L312 WeakPolarHBondContact O-CD1 3.5Å; R302-D372 IonicContact NH2-OD2 2.72Å; R302-E374 IonicContact CZ-OE1 3.75Å; R302-E374 IonicContact CZ-OE2 2.76Å; R302-E374 IonicContact NH1-OE1 3.89Å; R302-E374 PolarHBondContact NH1-OE1 2.97Å; R302-E374 IonicContact NH1-OE2 3.99Å; R302-E374 PolarHBondContact NH1-OE2 2.92Å; R302-E374 IonicContact NH2-OE1 3.95Å; R302-E374 PolarHBondContact NH2-OE1 2.81Å; R302-E374 IonicContact NH2-OE2 2.73Å; R302-E374 PolarHBondContact NH2-OE2 2.79Å
303G94.7Very high94.4Very high0 Ų050 Ų500%027%0.265CS..G310 helixtrans-893.6178.200000115.3H298 L300 G301 R311 L312H298-G303 VanDerWaalsContact O-CA 3.26Å; H298-G303 WeakPolarHBondContact O-CA 3.32Å; L300-G303 PolarHBondContact O-N 3.46Å; G301-G303 PolarHBondContact O-N 3.39Å; G303-R311 CarbonylContact O-C 3.51Å; G303-R311 VanDerWaalsContact O-CA 3.23Å; G303-R311 WeakPolarHBondContact O-CA 3.47Å; G303-R311 WeakPolarHBondContact O-CD 3.46Å; G303-R311 PolarHBondContact O-NE 3.09Å; G303-R311 PolarHBondContact O-NH1 3.25Å; G303-L312 PolarHBondContact O-N 3.42Å
304T95.1Very high94.6Very high52 Ų5247.6 Ų47.632%0.31925%0.252SS..EExtended strand (participates in β ladder)trans-121.9127.9-173.2-59.50000110.6G301 R311G301-T304 PolarHBondContact O-N 3.21Å; G301-T304 VanDerWaalsContact O-N 3.11Å; T304-R311 PolarHBondContact OG1-NH1 3.39Å
305H94Very high94.7Very high1 Ų146.2 Ų46.21%0.00524%0.238CC..EExtended strand (participates in β ladder)trans-92.6102.7168.2-162.5-80.9000109.8L307 W308 D309 S310 L312 S347 H353H305-L307 VanDerWaalsContact C-N 3.27Å; H305-L307 PolarHBondContact O-N 3.05Å; H305-W308 HydrophobicContact CB-CB 4.3Å; H305-W308 HydrophobicContact CB-CE3 4.35Å; H305-W308 AromaticContact CD2-CE3 3.62Å; H305-W308 AromaticContact CD2-CZ3 3.95Å; H305-W308 AromaticContact CE1-CD1 3.82Å; H305-W308 AromaticContact CE1-CD2 3.19Å; H305-W308 AromaticContact CE1-CE2 3.47Å; H305-W308 VanDerWaalsContact CE1-CE2 3.47Å; H305-W308 AromaticContact CE1-CE3 3.56Å; H305-W308 AromaticContact CE1-CG 3.46Å; H305-W308 VanDerWaalsContact CE1-CG 3.46Å; H305-W308 AromaticContact CE1-NE1 3.81Å; H305-W308 AromaticContact CG-CD2 3.83Å; H305-W308 AromaticContact CG-CE3 3.59Å; H305-W308 WeakPolarHBondContact ND1-CB 3.4Å; H305-W308 AromaticContact ND1-CD1 3.87Å; H305-W308 AromaticContact ND1-CD2 3.27Å; H305-W308 VanDerWaalsContact ND1-CD2 3.27Å; H305-W308 AromaticContact ND1-CE3 3.56Å; H305-W308 AromaticContact ND1-CG 3.19Å; H305-W308 PolarHBondContact ND1-N 2.83Å; H305-W308 VanDerWaalsContact ND1-N 3.18Å; H305-W308 AromaticContact NE2-CD2 3.7Å; H305-W308 AromaticContact NE2-CE2 3.95Å; H305-W308 AromaticContact NE2-CE3 3.6Å; H305-W308 AromaticContact NE2-CZ3 3.81Å; H305-W308 PolarHBondContact O-N 2.91Å; H305-D309 PolarHBondContact O-N 3.11Å; H305-S310 WeakPolarHBondContact CB-OG 3.49Å; H305-S310 PolarHBondContact N-O 2.86Å; H305-L312 HydrophobicContact CB-CD1 4.44Å; H305-L312 HydrophobicContact CB-CD2 4.03Å; H305-L312 HydrophobicContact CB-CG 4.25Å; H305-S347 PolarHBondContact CD2-OG 2.84Å; H305-S347 VanDerWaalsContact CD2-OG 3.29Å; H305-S347 PolarHBondContact NE2-OG 3.19Å; H305-H353 AromaticContact CD2-CG 3.8Å; H305-H353 WeakPolarHBondContact NE2-CB 3.31Å; H305-H353 AromaticContact NE2-CG 3.97Å
306E90.3Very high94.7Very high178 Ų17848.2 Ų48.283%0.83225%0.251SS*.THydrogen-bonded Turntrans-59-36.2-172-63.3-174.3165.200113.4
307L90Very high94.6Very high122 Ų12251.9 Ų51.964%0.63927%0.268SS*.THydrogen-bonded Turntrans-81.6-27.3-175.1-134.7153.5000113.1H305 L355H305-L307 VanDerWaalsContact C-N 3.27Å; H305-L307 PolarHBondContact O-N 3.05Å; L307-L355 HydrophobicContact CB-CD1 4.45Å; L307-L355 HydrophobicContact CB-CD2 4.31Å; L307-L355 HydrophobicContact CD1-CD1 4.25Å; L307-L355 HydrophobicContact CD1-CD2 3.38Å; L307-L355 HydrophobicContact CD1-CG 4.41Å; L307-L355 HydrophobicContact CG-CD2 4.46Å
308W90.9Very high94.5Very high90 Ų9052.6 Ų52.634%0.34127%0.271SS..THydrogen-bonded Turntrans-102.3-4.3-177.8-60.6-23.5000112.5H277 H305 S310 S347H277-W308 AromaticContact CE1-CE3 3.7Å; H277-W308 AromaticContact CE1-CZ3 3.9Å; H277-W308 AromaticContact ND1-CE3 3.55Å; H277-W308 AromaticContact ND1-CZ3 3.58Å; H305-W308 HydrophobicContact CB-CB 4.3Å; H305-W308 HydrophobicContact CB-CE3 4.35Å; H305-W308 AromaticContact CD2-CE3 3.62Å; H305-W308 AromaticContact CD2-CZ3 3.95Å; H305-W308 AromaticContact CE1-CD1 3.82Å; H305-W308 AromaticContact CE1-CD2 3.19Å; H305-W308 AromaticContact CE1-CE2 3.47Å; H305-W308 VanDerWaalsContact CE1-CE2 3.47Å; H305-W308 AromaticContact CE1-CE3 3.56Å; H305-W308 AromaticContact CE1-CG 3.46Å; H305-W308 VanDerWaalsContact CE1-CG 3.46Å; H305-W308 AromaticContact CE1-NE1 3.81Å; H305-W308 AromaticContact CG-CD2 3.83Å; H305-W308 AromaticContact CG-CE3 3.59Å; H305-W308 WeakPolarHBondContact ND1-CB 3.4Å; H305-W308 AromaticContact ND1-CD1 3.87Å; H305-W308 AromaticContact ND1-CD2 3.27Å; H305-W308 VanDerWaalsContact ND1-CD2 3.27Å; H305-W308 AromaticContact ND1-CE3 3.56Å; H305-W308 AromaticContact ND1-CG 3.19Å; H305-W308 PolarHBondContact ND1-N 2.83Å; H305-W308 VanDerWaalsContact ND1-N 3.18Å; H305-W308 AromaticContact NE2-CD2 3.7Å; H305-W308 AromaticContact NE2-CE2 3.95Å; H305-W308 AromaticContact NE2-CE3 3.6Å; H305-W308 AromaticContact NE2-CZ3 3.81Å; H305-W308 PolarHBondContact O-N 2.91Å; W308-S310 PolarHBondContact O-N 3.01Å; W308-S347 WeakPolarHBondContact CZ3-OG 3.27Å
309D92.2Very high94.5Very high82 Ų8252.9 Ų52.944%0.43927%0.273SS..THydrogen-bonded Turntrans52.742.6-179.3-166.124.8000112.2K280 H305K280-D309 WeakPolarHBondContact CD-OD1 3.26Å; K280-D309 WeakPolarHBondContact CE-OD1 3.46Å; K280-D309 WeakPolarHBondContact CE-OD2 2.95Å; K280-D309 IonicContact NZ-OD1 2.75Å; K280-D309 PolarHBondContact NZ-OD1 2.87Å; K280-D309 IonicContact NZ-OD2 3.62Å; K280-D309 PolarHBondContact NZ-OD2 3.2Å; H305-D309 PolarHBondContact O-N 3.11Å
310S96Very high94.7Very high0 Ų049.2 Ų49.20%025%0.253CS..EExtended strand (participates in β ladder)trans-131.2173.4-17068.30000112.5H277 A278 H305 W308H277-S310 WeakPolarHBondContact CB-OG 3.25Å; H277-S310 VanDerWaalsContact CD2-CB 3.43Å; H277-S310 WeakPolarHBondContact CD2-CB 3.39Å; H277-S310 PolarHBondContact CD2-OG 2.95Å; H277-S310 VanDerWaalsContact CD2-OG 3.29Å; A278-S310 VanDerWaalsContact O-CB 3.32Å; A278-S310 WeakPolarHBondContact O-CB 3.42Å; H305-S310 WeakPolarHBondContact CB-OG 3.49Å; H305-S310 PolarHBondContact N-O 2.86Å; W308-S310 PolarHBondContact O-N 3.01Å
311R97.4Very high95Very high18 Ų1843 Ų437%0.06822%0.221CC..EExtended strand (participates in β ladder)trans-111.7137.2-177.2-63.8-67.1-69.2156.76.3112.2H277 A278 K280 N287 N293 F297 H298 G303 T304H277-R311 CarbonylContact C-O 3.6Å; H277-R311 WeakPolarHBondContact CA-O 3.44Å; H277-R311 WeakPolarHBondContact CB-O 3.26Å; A278-R311 PolarHBondContact N-O 3.48Å; A278-R311 PolarHBondContact O-N 3.2Å; K280-R311 HydrophobicContact CB-CG 4.14Å; N287-R311 HydrophobicContact CB-CG 4.3Å; N287-R311 PolarHBondContact OD1-NE 2.96Å; N293-R311 PolarHBondContact O-NH2 3.4Å; N293-R311 VanDerWaalsContact O-NH2 3.14Å; F297-R311 HydrophobicContact CD1-CB 3.76Å; F297-R311 HydrophobicContact CD2-CB 3.86Å; F297-R311 HydrophobicContact CD2-CG 4.38Å; F297-R311 HydrophobicContact CE1-CB 3.85Å; F297-R311 HydrophobicContact CE2-CB 3.93Å; F297-R311 HydrophobicContact CE2-CG 4.48Å; F297-R311 HydrophobicContact CG-CB 3.77Å; F297-R311 HydrophobicContact CZ-CB 3.93Å; H298-R311 PolarHBondContact O-NH2 2.69Å; G303-R311 CarbonylContact O-C 3.51Å; G303-R311 VanDerWaalsContact O-CA 3.23Å; G303-R311 WeakPolarHBondContact O-CA 3.47Å; G303-R311 WeakPolarHBondContact O-CD 3.46Å; G303-R311 PolarHBondContact O-NE 3.09Å; G303-R311 PolarHBondContact O-NH1 3.25Å; T304-R311 PolarHBondContact OG1-NH1 3.39Å
312L97.7Very high95.5Very high12 Ų1240.9 Ų40.96%0.06320%0.195CC..  trans-100.9126.8-173.5-60.7174.5000111.5S276 H277 F297 H298 R302 G303 H305 H353S276-L312 VanDerWaalsContact O-CD2 3.24Å; S276-L312 WeakPolarHBondContact O-CD2 3.24Å; H277-L312 HydrophobicContact CB-CD2 4.05Å; F297-L312 VanDerWaalsContact CA-O 3.26Å; F297-L312 WeakPolarHBondContact CA-O 3.44Å; F297-L312 WeakPolarHBondContact CB-O 3.48Å; F297-L312 WeakPolarHBondContact CD1-O 3.41Å; H298-L312 PolarHBondContact N-O 3.27Å; R302-L312 WeakPolarHBondContact O-CD1 3.5Å; G303-L312 PolarHBondContact O-N 3.42Å; H305-L312 HydrophobicContact CB-CD1 4.44Å; H305-L312 HydrophobicContact CB-CD2 4.03Å; H305-L312 HydrophobicContact CB-CG 4.25Å; L312-H353 WeakPolarHBondContact CD1-CE1 3.42Å
313F98.4Very high95.7Very high0 Ų035.9 Ų35.90%018%0.176CC..BIsolated β-bridgetrans-61.3144.4-176.6-74.9-74.6000112.3F242 H275 A278 L286 Y296 F297 H298 Y315 V320 F323 L324F242-F313 HydrophobicContact CE1-CE2 4.24Å; F242-F313 HydrophobicContact CE1-CZ 4.06Å; F242-F313 AromaticContact CE2-CZ 3.81Å; F242-F313 HydrophobicContact CE2-CZ 3.81Å; F242-F313 AromaticContact CZ-CE2 3.83Å; F242-F313 HydrophobicContact CZ-CE2 3.83Å; F242-F313 AromaticContact CZ-CZ 3.48Å; F242-F313 HydrophobicContact CZ-CZ 3.48Å; F242-F313 VanDerWaalsContact CZ-CZ 3.48Å; H275-F313 WeakPolarHBondContact O-CD2 3.31Å; A278-F313 HydrophobicContact CB-CE2 4.23Å; A278-F313 HydrophobicContact CB-CZ 4Å; L286-F313 HydrophobicContact CD1-CE1 4.01Å; L286-F313 HydrophobicContact CD1-CZ 4.23Å; Y296-F313 WeakPolarHBondContact O-CA 3.12Å; Y296-F313 WeakPolarHBondContact O-CD1 3.43Å; F297-F313 HydrophobicContact CD1-CD1 4.11Å; F297-F313 HydrophobicContact CD1-CE1 4.5Å; F297-F313 HydrophobicContact CD1-CG 4.4Å; F297-F313 AromaticContact CE1-CD1 3.78Å; F297-F313 HydrophobicContact CE1-CD1 3.78Å; F297-F313 AromaticContact CE1-CE1 3.74Å; F297-F313 HydrophobicContact CE1-CE1 3.74Å; F297-F313 HydrophobicContact CE1-CG 4.2Å; F297-F313 HydrophobicContact CE1-CZ 4.13Å; F297-F313 HydrophobicContact CZ-CE1 4.35Å; H298-F313 PolarHBondContact CD2-O 2.59Å; H298-F313 PolarHBondContact NE2-O 3.02Å; F313-Y315 HydrophobicContact CB-CD1 4.3Å; F313-Y315 HydrophobicContact CB-CE1 3.77Å; F313-Y315 PolarHBondContact O-N 2.96Å; F313-V320 HydrophobicContact CB-CG1 4.19Å; F313-V320 HydrophobicContact CD1-CG1 3.93Å; F313-V320 HydrophobicContact CG-CG1 4.46Å; F313-F323 HydrophobicContact CE1-CD1 4.43Å; F313-F323 HydrophobicContact CE1-CE1 4.21Å; F313-F323 HydrophobicContact CZ-CE1 4.39Å; F313-L324 HydrophobicContact CB-CD1 4.3Å; F313-L324 HydrophobicContact CD1-CD1 4.49Å; F313-L324 HydrophobicContact CD1-CD2 4.21Å; F313-L324 HydrophobicContact CD2-CD2 4.15Å; F313-L324 HydrophobicContact CE1-CD2 4.01Å; F313-L324 HydrophobicContact CE2-CD2 3.94Å; F313-L324 HydrophobicContact CG-CD1 4.2Å; F313-L324 HydrophobicContact CG-CD2 4.28Å; F313-L324 HydrophobicContact CZ-CD2 3.86Å
314N97.7Very high95.9Very high16 Ų1635.9 Ų35.99%0.08618%0.176CC..  trans-89.991.6172.8-1730.4000110.6Y296 H298 T316 E317 V320Y296-N314 PolarHBondContact O-N 2.84Å; H298-N314 PolarHBondContact CE1-OD1 3.3Å; H298-N314 PolarHBondContact ND1-OD1 3.19Å; N314-T316 PolarHBondContact O-N 3.44Å; N314-T316 VanDerWaalsContact O-N 3.11Å; N314-T316 PolarHBondContact OD1-N 3.31Å; N314-T316 PolarHBondContact OD1-OG1 3.28Å; N314-E317 HydrophobicContact CB-CG 4.24Å; N314-E317 WeakPolarHBondContact ND2-CG 3.42Å; N314-E317 PolarHBondContact O-N 3.18Å; N314-V320 WeakPolarHBondContact O-CB 3.38Å; N314-V320 WeakPolarHBondContact O-CG1 3.29Å
315Y97.5Very high96.1Very high10 Ų1033.4 Ų33.44%0.03916%0.161CC..THydrogen-bonded Turntrans-68.5-6-177.8-50.3-72.5000114.1H275 F313 L321 L324 M348 Y378H275-Y315 PolarHBondContact O-OH 2.58Å; F313-Y315 HydrophobicContact CB-CD1 4.3Å; F313-Y315 HydrophobicContact CB-CE1 3.77Å; F313-Y315 PolarHBondContact O-N 2.96Å; Y315-L321 WeakPolarHBondContact O-CD2 3.3Å; Y315-L321 WeakPolarHBondContact O-CG 3.38Å; Y315-L324 HydrophobicContact CD1-CD1 3.94Å; Y315-L324 HydrophobicContact CE1-CD1 3.76Å; Y315-M348 HydrophobicContact CE1-CE 4.04Å; Y315-Y378 AromaticContact CD1-CD1 3.88Å; Y315-Y378 HydrophobicContact CD1-CD1 3.88Å; Y315-Y378 HydrophobicContact CD1-CD2 4.5Å; Y315-Y378 AromaticContact CD1-CG 3.79Å; Y315-Y378 HydrophobicContact CD1-CG 3.79Å; Y315-Y378 AromaticContact CE1-CD1 3.83Å; Y315-Y378 HydrophobicContact CE1-CD1 3.83Å; Y315-Y378 HydrophobicContact CE1-CE1 4.36Å; Y315-Y378 HydrophobicContact CE1-CG 4.22Å
316T95.1Very high96.3Very high45 Ų4533.4 Ų33.428%0.27616%0.161SC..THydrogen-bonded Turntrans-80.5-18.8173.671.80000113.3N314 E374N314-T316 PolarHBondContact O-N 3.44Å; N314-T316 VanDerWaalsContact O-N 3.11Å; N314-T316 PolarHBondContact OD1-N 3.31Å; N314-T316 PolarHBondContact OD1-OG1 3.28Å; T316-E374 HydrophobicContact CG2-CB 4.28Å; T316-E374 HydrophobicContact CG2-CG 3.74Å; T316-E374 WeakPolarHBondContact CG2-OE1 3.39Å; T316-E374 WeakPolarHBondContact CG2-OE2 3.35Å
317E96Very high96.8Very high78 Ų7824.9 Ų24.936%0.36412%0.121SC..  trans-85.3122.8-176.8-67.7-58.9148.200110.6W78 N314 E319 V320 L321W78-E317 HydrophobicContact CH2-CB 4.28Å; N314-E317 HydrophobicContact CB-CG 4.24Å; N314-E317 WeakPolarHBondContact ND2-CG 3.42Å; N314-E317 PolarHBondContact O-N 3.18Å; E317-E319 VanDerWaalsContact C-N 3.26Å; E317-E319 PolarHBondContact O-N 3.12Å; E317-V320 HydrophobicContact CB-CB 4.02Å; E317-V320 HydrophobicContact CB-CG2 3.67Å; E317-V320 WeakPolarHBondContact O-CB 3.35Å; E317-V320 PolarHBondContact O-N 3.34Å; E317-L321 PolarHBondContact O-N 3.39Å
318L96.2Very high97.2Very high16 Ų1619.1 Ų19.18%0.0849%0.091CC..Hα-helixtrans-58.8-38.5-176.4-173.669.7000112.4W46 I47 V50 F56 V320 L321 R322W46-L318 HydrophobicContact CD2-CD1 3.95Å; W46-L318 HydrophobicContact CD2-CD2 4.49Å; W46-L318 HydrophobicContact CE3-CD1 4.14Å; W46-L318 HydrophobicContact CG-CD1 4.32Å; W46-L318 HydrophobicContact CH2-CB 3.77Å; W46-L318 HydrophobicContact CZ2-CB 3.69Å; W46-L318 HydrophobicContact CZ2-CD2 4.16Å; W46-L318 HydrophobicContact CZ2-CG 4.32Å; W46-L318 HydrophobicContact CZ3-CB 4.25Å; W46-L318 HydrophobicContact CZ3-CD1 4.5Å; I47-L318 HydrophobicContact CG1-CD1 4.08Å; V50-L318 HydrophobicContact CG1-CD2 4.49Å; V50-L318 HydrophobicContact CG2-CD2 3.86Å; F56-L318 HydrophobicContact CE2-CD1 3.58Å; F56-L318 HydrophobicContact CE2-CD2 4.39Å; F56-L318 HydrophobicContact CE2-CG 3.77Å; F56-L318 HydrophobicContact CZ-CD1 3.74Å; F56-L318 HydrophobicContact CZ-CG 4.15Å; F56-L318 WeakPolarHBondContact CZ-O 3.33Å; L318-V320 VanDerWaalsContact C-N 3.33Å; L318-L321 PolarHBondContact O-N 2.93Å; L318-R322 WeakPolarHBondContact O-CB 3.23Å; L318-R322 PolarHBondContact O-N 3.25Å
319E97.5Very high97.5Very high19 Ų1915 Ų159%0.0898%0.075CC..Hα-helixtrans-75.7-22.7179.9-60.6-61.7157.800112.3W78 K108 E317 R322 F323W78-E319 HydrophobicContact CD2-CB 3.48Å; W78-E319 VanDerWaalsContact CD2-CB 3.48Å; W78-E319 HydrophobicContact CD2-CG 4Å; W78-E319 HydrophobicContact CE3-CB 3.72Å; W78-E319 HydrophobicContact CG-CB 3.93Å; W78-E319 HydrophobicContact CG-CG 4.04Å; W78-E319 HydrophobicContact CH2-CB 4.14Å; W78-E319 HydrophobicContact CZ2-CB 3.93Å; W78-E319 HydrophobicContact CZ2-CG 4.38Å; W78-E319 HydrophobicContact CZ3-CB 4.04Å; K108-E319 WeakPolarHBondContact CE-OE1 3.45Å; K108-E319 IonicContact NZ-OE1 3.1Å; K108-E319 PolarHBondContact NZ-OE1 3.04Å; E317-E319 VanDerWaalsContact C-N 3.26Å; E317-E319 PolarHBondContact O-N 3.12Å; E319-R322 IonicContact OE1-CZ 2.73Å; E319-R322 IonicContact OE1-NE 3.29Å; E319-R322 IonicContact OE1-NH2 3.82Å; E319-R322 PolarHBondContact OE1-NH2 2.96Å; E319-R322 WeakPolarHBondContact OE2-CD 3.29Å; E319-R322 IonicContact OE2-CZ 3.28Å; E319-R322 IonicContact OE2-NE 3.75Å; E319-R322 PolarHBondContact OE2-NE 3.21Å; E319-R322 IonicContact OE2-NH2 2.96Å; E319-F323 WeakPolarHBondContact O-CB 3.1Å; E319-F323 PolarHBondContact O-N 3.27Å
320V98.4Very high97.9Very high0 Ų012.2 Ų12.20%06%0.059CC..Hα-helixtrans-72.5-43.5168.9178.50000110.4W78 Y296 F313 N314 E317 L318 R322 F323 L324W78-V320 HydrophobicContact CH2-CG2 4.05Å; W78-V320 HydrophobicContact CZ3-CG2 3.85Å; Y296-V320 HydrophobicContact CD1-CG2 4.12Å; F313-V320 HydrophobicContact CB-CG1 4.19Å; F313-V320 HydrophobicContact CD1-CG1 3.93Å; F313-V320 HydrophobicContact CG-CG1 4.46Å; N314-V320 WeakPolarHBondContact O-CB 3.38Å; N314-V320 WeakPolarHBondContact O-CG1 3.29Å; E317-V320 HydrophobicContact CB-CB 4.02Å; E317-V320 HydrophobicContact CB-CG2 3.67Å; E317-V320 WeakPolarHBondContact O-CB 3.35Å; E317-V320 PolarHBondContact O-N 3.34Å; L318-V320 VanDerWaalsContact C-N 3.33Å; V320-R322 VanDerWaalsContact C-N 3.29Å; V320-R322 PolarHBondContact O-N 3.38Å; V320-F323 WeakPolarHBondContact O-CB 3.4Å; V320-F323 PolarHBondContact O-N 2.93Å; V320-L324 HydrophobicContact CG1-CD1 4.08Å; V320-L324 HydrophobicContact CG1-CG 4.4Å; V320-L324 WeakPolarHBondContact O-CG 3.24Å; V320-L324 PolarHBondContact O-N 2.97Å
321L98.5Very high98Very high1 Ų112.2 Ų12.21%0.0056%0.059CC..Hα-helixtrans-58.4-43.8171.5-65.4176.3000111F56 Y315 E317 L318 F323 L324 M325 Y378 L381F56-L321 HydrophobicContact CE1-CB 4.25Å; F56-L321 HydrophobicContact CZ-CB 4.04Å; Y315-L321 WeakPolarHBondContact O-CD2 3.3Å; Y315-L321 WeakPolarHBondContact O-CG 3.38Å; E317-L321 PolarHBondContact O-N 3.39Å; L318-L321 PolarHBondContact O-N 2.93Å; L321-F323 PolarHBondContact O-N 3.46Å; L321-L324 PolarHBondContact O-N 2.88Å; L321-M325 WeakPolarHBondContact O-CB 3.34Å; L321-M325 VanDerWaalsContact O-CG 3.25Å; L321-M325 WeakPolarHBondContact O-CG 3.48Å; L321-M325 PolarHBondContact O-N 3.36Å; L321-Y378 HydrophobicContact CD2-CD2 3.65Å; L321-Y378 HydrophobicContact CD2-CG 4.18Å; L321-L381 HydrophobicContact CD1-CD1 4.35Å
322R98.5Very high98Very high14 Ų1411.5 Ų11.55%0.0536%0.056CC..Hα-helixtrans-58.1-48.9175.5-168.1-168.6-59.9-76.5-7.1111F56 L318 E319 V320 S326F56-R322 HydrophobicContact CD2-CB 4.49Å; F56-R322 HydrophobicContact CD2-CG 4.38Å; F56-R322 VanDerWaalsContact CE1-CA 3.48Å; F56-R322 HydrophobicContact CE1-CB 4.04Å; F56-R322 HydrophobicContact CE2-CB 3.87Å; F56-R322 HydrophobicContact CE2-CG 4.24Å; F56-R322 HydrophobicContact CZ-CB 3.63Å; F56-R322 HydrophobicContact CZ-CG 4.32Å; F56-R322 VanDerWaalsContact CZ-N 3.34Å; F56-R322 WeakPolarHBondContact O-CG 3.48Å; L318-R322 WeakPolarHBondContact O-CB 3.23Å; L318-R322 PolarHBondContact O-N 3.25Å; E319-R322 IonicContact OE1-CZ 2.73Å; E319-R322 IonicContact OE1-NE 3.29Å; E319-R322 IonicContact OE1-NH2 3.82Å; E319-R322 PolarHBondContact OE1-NH2 2.96Å; E319-R322 WeakPolarHBondContact OE2-CD 3.29Å; E319-R322 IonicContact OE2-CZ 3.28Å; E319-R322 IonicContact OE2-NE 3.75Å; E319-R322 PolarHBondContact OE2-NE 3.21Å; E319-R322 IonicContact OE2-NH2 2.96Å; V320-R322 VanDerWaalsContact C-N 3.29Å; V320-R322 PolarHBondContact O-N 3.38Å; R322-S326 WeakPolarHBondContact O-CB 3.21Å; R322-S326 PolarHBondContact O-N 2.92Å; R322-S326 PolarHBondContact O-OG 3Å
323F98.8Very high98Very high0 Ų014.2 Ų14.20%07%0.069CC..Hα-helixtrans-56.8-53.6178.7175.7-96.1000111.9P145 W146 F242 F243 L286 Y296 F313 E319 V320 L321 S326 N327P145-F323 HydrophobicContact CB-CD2 4.38Å; P145-F323 HydrophobicContact CB-CE2 3.75Å; P145-F323 WeakPolarHBondContact O-CE2 3.26Å; W146-F323 HydrophobicContact CD2-CD2 4.25Å; W146-F323 AromaticContact CE2-CD2 3.86Å; W146-F323 HydrophobicContact CH2-CB 4.24Å; W146-F323 HydrophobicContact CH2-CD2 4.18Å; W146-F323 HydrophobicContact CZ2-CB 4.14Å; W146-F323 AromaticContact CZ2-CD2 3.83Å; W146-F323 HydrophobicContact CZ2-CD2 3.83Å; W146-F323 HydrophobicContact CZ3-CD2 4.48Å; F242-F323 HydrophobicContact CB-CE1 4.17Å; F242-F323 HydrophobicContact CB-CZ 3.76Å; F242-F323 HydrophobicContact CD1-CE1 4.5Å; F242-F323 AromaticContact CD2-CE1 3.96Å; F242-F323 HydrophobicContact CD2-CE1 3.96Å; F242-F323 AromaticContact CD2-CZ 3.8Å; F242-F323 HydrophobicContact CD2-CZ 3.8Å; F242-F323 AromaticContact CG-CE1 3.93Å; F242-F323 HydrophobicContact CG-CE1 3.93Å; F242-F323 AromaticContact CG-CZ 3.87Å; F242-F323 HydrophobicContact CG-CZ 3.87Å; F243-F323 AromaticContact CD2-CE2 3.97Å; F243-F323 HydrophobicContact CD2-CE2 3.97Å; F243-F323 HydrophobicContact CD2-CZ 4.34Å; F243-F323 AromaticContact CE2-CD2 3.76Å; F243-F323 HydrophobicContact CE2-CD2 3.76Å; F243-F323 AromaticContact CE2-CE2 3.44Å; F243-F323 HydrophobicContact CE2-CE2 3.44Å; F243-F323 VanDerWaalsContact CE2-CE2 3.44Å; F243-F323 HydrophobicContact CE2-CG 4.49Å; F243-F323 AromaticContact CE2-CZ 3.92Å; F243-F323 HydrophobicContact CE2-CZ 3.92Å; L286-F323 HydrophobicContact CD1-CE1 3.89Å; L286-F323 HydrophobicContact CD1-CZ 3.78Å; L286-F323 HydrophobicContact CD2-CZ 4.47Å; Y296-F323 HydrophobicContact CD1-CD1 4.43Å; Y296-F323 HydrophobicContact CD1-CG 4.35Å; Y296-F323 HydrophobicContact CE1-CB 4.13Å; Y296-F323 HydrophobicContact CE1-CD1 4.45Å; Y296-F323 HydrophobicContact CE1-CD2 4Å; Y296-F323 AromaticContact CE1-CG 3.94Å; Y296-F323 HydrophobicContact CE1-CG 3.94Å; F313-F323 HydrophobicContact CE1-CD1 4.43Å; F313-F323 HydrophobicContact CE1-CE1 4.21Å; F313-F323 HydrophobicContact CZ-CE1 4.39Å; E319-F323 WeakPolarHBondContact O-CB 3.1Å; E319-F323 PolarHBondContact O-N 3.27Å; V320-F323 WeakPolarHBondContact O-CB 3.4Å; V320-F323 PolarHBondContact O-N 2.93Å; L321-F323 PolarHBondContact O-N 3.46Å; F323-S326 PolarHBondContact O-N 3.42Å; F323-N327 PolarHBondContact O-N 3.11Å
324L98.8Very high98Very high0 Ų016.1 Ų16.10%08%0.078CC..Hα-helixtrans-67.1-41.4-177.2-63.6174.8000112.6H275 F313 Y315 V320 L321 N327 L328 Y378H275-L324 HydrophobicContact CB-CD2 4.38Å; H275-L324 PolarHBondContact CE1-O 3.31Å; H275-L324 VanDerWaalsContact CE1-O 3.3Å; F313-L324 HydrophobicContact CB-CD1 4.3Å; F313-L324 HydrophobicContact CD1-CD1 4.49Å; F313-L324 HydrophobicContact CD1-CD2 4.21Å; F313-L324 HydrophobicContact CD2-CD2 4.15Å; F313-L324 HydrophobicContact CE1-CD2 4.01Å; F313-L324 HydrophobicContact CE2-CD2 3.94Å; F313-L324 HydrophobicContact CG-CD1 4.2Å; F313-L324 HydrophobicContact CG-CD2 4.28Å; F313-L324 HydrophobicContact CZ-CD2 3.86Å; Y315-L324 HydrophobicContact CD1-CD1 3.94Å; Y315-L324 HydrophobicContact CE1-CD1 3.76Å; V320-L324 HydrophobicContact CG1-CD1 4.08Å; V320-L324 HydrophobicContact CG1-CG 4.4Å; V320-L324 WeakPolarHBondContact O-CG 3.24Å; V320-L324 PolarHBondContact O-N 2.97Å; L321-L324 PolarHBondContact O-N 2.88Å; L324-N327 WeakPolarHBondContact O-CB 3.1Å; L324-N327 PolarHBondContact O-N 3.36Å; L324-L328 PolarHBondContact O-N 2.78Å; L324-Y378 HydrophobicContact CB-CE2 3.68Å; L324-Y378 HydrophobicContact CD1-CD2 4.43Å; L324-Y378 HydrophobicContact CD1-CE1 4.42Å; L324-Y378 HydrophobicContact CD1-CE2 4.07Å
325M98.8Very high98Very high0 Ų015.4 Ų15.40%07%0.074CC..Hα-helixtrans-70.8-35.7177.7-66.2179.674.400111.9I47 L53 F56 T57 L321 N327 L328 R329 Y378 L381 F385I47-M325 HydrophobicContact CD1-SD 4.47Å; L53-M325 HydrophobicContact CD1-CE 3.67Å; F56-M325 HydrophobicContact CD1-SD 4.13Å; F56-M325 HydrophobicContact CE1-SD 3.78Å; T57-M325 HydrophobicContact CG2-CB 4.06Å; T57-M325 HydrophobicContact CG2-CE 3.97Å; L321-M325 WeakPolarHBondContact O-CB 3.34Å; L321-M325 VanDerWaalsContact O-CG 3.25Å; L321-M325 WeakPolarHBondContact O-CG 3.48Å; L321-M325 PolarHBondContact O-N 3.36Å; M325-N327 VanDerWaalsContact C-N 3.26Å; M325-N327 PolarHBondContact O-N 3.23Å; M325-L328 PolarHBondContact O-N 3.48Å; M325-R329 PolarHBondContact O-N 2.65Å; M325-Y378 HydrophobicContact CG-CE2 4.12Å; M325-L381 HydrophobicContact CE-CB 4.22Å; M325-L381 HydrophobicContact SD-CB 4.22Å; M325-F385 HydrophobicContact CE-CB 3.81Å; M325-F385 HydrophobicContact CE-CD1 4.4Å; M325-F385 HydrophobicContact CE-CG 4.19Å
326S98.8Very high98Very high0 Ų015 Ų150%07%0.072CC..Hα-helixtrans-64.8-32.9172-64.80000112F56 T57 G59 R322 F323 R329 W330F56-S326 PolarHBondContact O-OG 2.85Å; T57-S326 VanDerWaalsContact O-CA 3.29Å; T57-S326 WeakPolarHBondContact O-CA 3.26Å; T57-S326 PolarHBondContact O-OG 3.35Å; G59-S326 WeakPolarHBondContact CA-OG 3.28Å; G59-S326 PolarHBondContact N-OG 2.99Å; R322-S326 WeakPolarHBondContact O-CB 3.21Å; R322-S326 PolarHBondContact O-N 2.92Å; R322-S326 PolarHBondContact O-OG 3Å; F323-S326 PolarHBondContact O-N 3.42Å; S326-R329 PolarHBondContact O-N 3.48Å; S326-W330 VanDerWaalsContact O-CB 3.27Å; S326-W330 WeakPolarHBondContact O-CB 3.38Å; S326-W330 PolarHBondContact O-N 3.46Å
327N98.8Very high98.2Very high0 Ų012.9 Ų12.90%06%0.059CC..Hα-helixtrans-63.4-46.6175.9-173.1-107.5000112F242 F243 H275 F323 L324 M325 R329 W330 W331F242-N327 PolarHBondContact O-ND2 2.93Å; F243-N327 HydrophobicContact CE1-CB 4.33Å; F243-N327 HydrophobicContact CE2-CB 4.09Å; F243-N327 VanDerWaalsContact CZ-CA 3.49Å; F243-N327 HydrophobicContact CZ-CB 3.79Å; H275-N327 PolarHBondContact NE2-OD1 2.7Å; F323-N327 PolarHBondContact O-N 3.11Å; L324-N327 WeakPolarHBondContact O-CB 3.1Å; L324-N327 PolarHBondContact O-N 3.36Å; M325-N327 VanDerWaalsContact C-N 3.26Å; M325-N327 PolarHBondContact O-N 3.23Å; N327-R329 VanDerWaalsContact C-N 3.31Å; N327-R329 PolarHBondContact O-N 2.97Å; N327-W330 WeakPolarHBondContact O-CB 3.34Å; N327-W330 PolarHBondContact O-N 3.16Å; N327-W331 PolarHBondContact ND2-NE1 2.69Å; N327-W331 PolarHBondContact O-N 3.29Å
328L98.9Very high98.4Very high0 Ų09.2 Ų9.20%04%0.042CC..Hα-helixtrans-57.4-47.2175.3-60.1170.3000110.8V273 L324 M325 W330 W331 I332 F340 F342 A382 L386V273-L328 HydrophobicContact CG1-CD2 4.44Å; V273-L328 HydrophobicContact CG2-CD2 4.17Å; L324-L328 PolarHBondContact O-N 2.78Å; M325-L328 PolarHBondContact O-N 3.48Å; L328-W330 VanDerWaalsContact C-N 3.34Å; L328-W330 PolarHBondContact O-N 3.09Å; L328-W331 PolarHBondContact O-N 3.41Å; L328-I332 WeakPolarHBondContact O-CG1 3.31Å; L328-I332 PolarHBondContact O-N 3.2Å; L328-F340 HydrophobicContact CB-CE2 4.07Å; L328-F340 HydrophobicContact CB-CZ 4.1Å; L328-F340 HydrophobicContact CD2-CD1 4.05Å; L328-F340 HydrophobicContact CD2-CD2 3.95Å; L328-F340 HydrophobicContact CD2-CE1 4.05Å; L328-F340 HydrophobicContact CD2-CE2 3.91Å; L328-F340 HydrophobicContact CD2-CG 4.02Å; L328-F340 HydrophobicContact CD2-CZ 3.99Å; L328-F340 VanDerWaalsContact O-CZ 3.31Å; L328-F340 WeakPolarHBondContact O-CZ 3.43Å; L328-F342 HydrophobicContact CD1-CE1 4.34Å; L328-F342 HydrophobicContact CD1-CZ 3.95Å; L328-F342 HydrophobicContact CD2-CE1 4.14Å; L328-F342 HydrophobicContact CD2-CE2 4.48Å; L328-F342 HydrophobicContact CD2-CZ 3.71Å; L328-F342 HydrophobicContact CG-CZ 4.5Å; L328-A382 HydrophobicContact CD1-CB 3.78Å; L328-L386 HydrophobicContact CB-CD2 4.24Å; L328-L386 HydrophobicContact CD1-CD1 4.09Å; L328-L386 HydrophobicContact CD1-CG 4.49Å
329R98.6Very high98.5Very high5 Ų58.5 Ų8.52%0.0194%0.038CC..Hα-helixtrans-63.1-40.3178.9-171.7170.1-177.2159.7-6.6112.9E54 T57 Q58 Y60 M325 S326 N327 W331 I332 E333 F385 K389 Y390E54-R329 PolarHBondContact O-NH1 3.37Å; E54-R329 IonicContact OE1-CZ 2.78Å; E54-R329 VanDerWaalsContact OE1-CZ 3.29Å; E54-R329 IonicContact OE1-NH1 2.74Å; E54-R329 PolarHBondContact OE1-NH1 3.06Å; E54-R329 IonicContact OE1-NH2 3.39Å; E54-R329 PolarHBondContact OE1-NH2 3.34Å; E54-R329 IonicContact OE2-NH1 3.6Å; E54-R329 PolarHBondContact OE2-NH1 2.83Å; T57-R329 WeakPolarHBondContact O-CB 3.4Å; T57-R329 WeakPolarHBondContact O-CD 3.43Å; T57-R329 PolarHBondContact OG1-NH1 2.92Å; Q58-R329 VanDerWaalsContact CG-NH1 3.31Å; Y60-R329 HydrophobicContact CE1-CB 4.1Å; Y60-R329 HydrophobicContact CE1-CG 3.96Å; M325-R329 PolarHBondContact O-N 2.65Å; S326-R329 PolarHBondContact O-N 3.48Å; N327-R329 VanDerWaalsContact C-N 3.31Å; N327-R329 PolarHBondContact O-N 2.97Å; R329-W331 PolarHBondContact O-N 2.84Å; R329-I332 PolarHBondContact O-N 3.11Å; R329-E333 HydrophobicContact CG-CG 4.13Å; R329-E333 IonicContact CZ-OE1 3.83Å; R329-E333 VanDerWaalsContact NE-CD 3.35Å; R329-E333 IonicContact NE-OE1 3.53Å; R329-E333 PolarHBondContact NE-OE1 3.38Å; R329-E333 IonicContact NE-OE2 3.4Å; R329-E333 IonicContact NH2-OE1 3.8Å; R329-E333 PolarHBondContact NH2-OE1 3.23Å; R329-E333 IonicContact NH2-OE2 3.39Å; R329-E333 PolarHBondContact O-N 2.84Å; R329-F385 HydrophobicContact CB-CE1 4.28Å; R329-F385 HydrophobicContact CB-CZ 3.92Å; R329-F385 HydrophobicContact CG-CZ 4.14Å; R329-K389 VanDerWaalsContact NH2-CE 3.26Å; R329-Y390 WeakPolarHBondContact CG-OH 3.37Å
330W98.6Very high98.5Very high22 Ų227.6 Ų7.68%0.0833%0.034CC..Hα-helixtrans-56.2-50.1178.4171.1-101.6000111.8Y60 P148 F243 S326 N327 L328 I332 E333 E334 Y335Y60-W330 HydrophobicContact CD1-CB 4.25Å; Y60-W330 HydrophobicContact CD1-CE3 4.38Å; Y60-W330 AromaticContact CD2-CE3 3.33Å; Y60-W330 HydrophobicContact CD2-CE3 3.33Å; Y60-W330 AromaticContact CD2-CZ3 3.65Å; Y60-W330 HydrophobicContact CD2-CZ3 3.65Å; Y60-W330 AromaticContact CE2-CE3 3.79Å; Y60-W330 HydrophobicContact CE2-CE3 3.79Å; Y60-W330 HydrophobicContact CE2-CZ3 4.18Å; Y60-W330 AromaticContact CG-CE3 3.66Å; Y60-W330 HydrophobicContact CG-CE3 3.66Å; Y60-W330 HydrophobicContact CG-CZ3 4.3Å; P148-W330 HydrophobicContact CB-CH2 3.97Å; P148-W330 HydrophobicContact CB-CZ2 3.71Å; F243-W330 HydrophobicContact CD1-CB 3.66Å; F243-W330 AromaticContact CD1-CD1 3.71Å; F243-W330 AromaticContact CD1-CD2 3.68Å; F243-W330 HydrophobicContact CD1-CD2 3.68Å; F243-W330 HydrophobicContact CD1-CE3 4.22Å; F243-W330 AromaticContact CD1-CG 3.41Å; F243-W330 HydrophobicContact CD1-CG 3.41Å; F243-W330 VanDerWaalsContact CD1-CG 3.41Å; F243-W330 HydrophobicContact CE1-CB 3.63Å; F243-W330 HydrophobicContact CE1-CD2 4.42Å; F243-W330 AromaticContact CE1-CG 3.93Å; F243-W330 HydrophobicContact CE1-CG 3.93Å; F243-W330 HydrophobicContact CG-CG 4.42Å; F243-W330 PolarHBondContact O-NE1 3.33Å; S326-W330 VanDerWaalsContact O-CB 3.27Å; S326-W330 WeakPolarHBondContact O-CB 3.38Å; S326-W330 PolarHBondContact O-N 3.46Å; N327-W330 WeakPolarHBondContact O-CB 3.34Å; N327-W330 PolarHBondContact O-N 3.16Å; L328-W330 VanDerWaalsContact C-N 3.34Å; L328-W330 PolarHBondContact O-N 3.09Å; W330-I332 VanDerWaalsContact C-N 3.27Å; W330-I332 PolarHBondContact O-N 2.99Å; W330-E333 PolarHBondContact O-N 3.18Å; W330-E334 HydrophobicContact CD2-CB 4.24Å; W330-E334 HydrophobicContact CD2-CG 3.52Å; W330-E334 HydrophobicContact CE3-CB 4.42Å; W330-E334 HydrophobicContact CE3-CG 3.27Å; W330-E334 HydrophobicContact CG-CG 4.32Å; W330-E334 HydrophobicContact CH2-CG 3.58Å; W330-E334 HydrophobicContact CZ2-CB 4.37Å; W330-E334 HydrophobicContact CZ2-CG 3.82Å; W330-E334 HydrophobicContact CZ3-CG 3.31Å; W330-E334 VanDerWaalsContact O-CB 3.24Å; W330-E334 WeakPolarHBondContact O-CB 3.46Å; W330-E334 PolarHBondContact O-N 3.25Å; W330-Y335 AromaticContact NE1-CE2 3.6Å
331W98.8Very high98.6Very high0 Ų07.7 Ų7.70%04%0.035CC..Hα-helixtrans-63.7-33.1-179.5-72.3107.9000113L226 M227 F242 A245 L255 L271 N327 L328 R329 Y335 G336 F337 F340L226-W331 HydrophobicContact CB-CH2 4.43Å; M227-W331 HydrophobicContact CB-CZ2 4.45Å; M227-W331 HydrophobicContact CG-CH2 4.45Å; M227-W331 HydrophobicContact CG-CZ2 3.52Å; F242-W331 PolarHBondContact O-NE1 2.85Å; F242-W331 VanDerWaalsContact O-NE1 3.16Å; A245-W331 HydrophobicContact CB-CH2 4.27Å; L255-W331 HydrophobicContact CD2-CH2 4.5Å; L255-W331 HydrophobicContact CD2-CZ3 3.79Å; L271-W331 HydrophobicContact CD2-CB 4.04Å; L271-W331 VanDerWaalsContact CD2-CD1 3.42Å; L271-W331 HydrophobicContact CD2-CD2 3.49Å; L271-W331 VanDerWaalsContact CD2-CD2 3.49Å; L271-W331 HydrophobicContact CD2-CE3 4.12Å; L271-W331 HydrophobicContact CD2-CG 3.39Å; N327-W331 PolarHBondContact ND2-NE1 2.69Å; N327-W331 PolarHBondContact O-N 3.29Å; L328-W331 PolarHBondContact O-N 3.41Å; R329-W331 PolarHBondContact O-N 2.84Å; W331-Y335 HydrophobicContact CD2-CD2 4.21Å; W331-Y335 AromaticContact CE3-CD2 3.41Å; W331-Y335 HydrophobicContact CE3-CD2 3.41Å; W331-Y335 VanDerWaalsContact CE3-CD2 3.41Å; W331-Y335 AromaticContact CE3-CE2 3.87Å; W331-Y335 HydrophobicContact CE3-CE2 3.87Å; W331-Y335 HydrophobicContact CE3-CG 4.16Å; W331-Y335 HydrophobicContact CH2-CE2 4.2Å; W331-Y335 AromaticContact CZ3-CD2 3.62Å; W331-Y335 HydrophobicContact CZ3-CD2 3.62Å; W331-Y335 AromaticContact CZ3-CE2 3.7Å; W331-Y335 HydrophobicContact CZ3-CE2 3.7Å; W331-Y335 HydrophobicContact CZ3-CG 4.27Å; W331-Y335 PolarHBondContact O-N 3.35Å; W331-G336 PolarHBondContact O-N 2.96Å; W331-F337 HydrophobicContact CB-CB 4.41Å; W331-F337 HydrophobicContact CB-CD2 4.35Å; W331-F337 HydrophobicContact CB-CG 4.44Å; W331-F337 HydrophobicContact CE3-CD2 4Å; W331-F337 AromaticContact CE3-CE2 3.71Å; W331-F337 HydrophobicContact CE3-CE2 3.71Å; W331-F337 HydrophobicContact CE3-CZ 4.3Å; W331-F337 HydrophobicContact CZ3-CE2 4.14Å; W331-F337 WeakPolarHBondContact O-CD2 3.39Å; W331-F337 PolarHBondContact O-N 3.37Å; W331-F337 VanDerWaalsContact O-N 3.15Å; W331-F340 HydrophobicContact CB-CE1 4.07Å; W331-F340 HydrophobicContact CB-CZ 4.27Å
332I98.5Very high98.6Very high3 Ų37.7 Ų7.72%0.0154%0.035CC..Hα-helixtrans-71.2-55174.7-59.6163.7000110.7L328 R329 W330 G336 F340 L386 Y390 F392 I393L328-I332 WeakPolarHBondContact O-CG1 3.31Å; L328-I332 PolarHBondContact O-N 3.2Å; R329-I332 PolarHBondContact O-N 3.11Å; W330-I332 VanDerWaalsContact C-N 3.27Å; W330-I332 PolarHBondContact O-N 2.99Å; I332-G336 WeakPolarHBondContact O-CA 3.34Å; I332-G336 PolarHBondContact O-N 3.12Å; I332-F340 HydrophobicContact CD1-CE2 3.91Å; I332-F340 HydrophobicContact CD1-CZ 4.18Å; I332-F340 HydrophobicContact CG1-CE2 4.08Å; I332-F340 HydrophobicContact CG1-CZ 3.91Å; I332-L386 HydrophobicContact CD1-CD2 3.55Å; I332-Y390 HydrophobicContact CD1-CD2 3.58Å; I332-Y390 HydrophobicContact CD1-CE2 3.52Å; I332-Y390 HydrophobicContact CD1-CG 4.21Å; I332-Y390 HydrophobicContact CG2-CD1 3.94Å; I332-Y390 HydrophobicContact CG2-CE1 3.69Å; I332-Y390 HydrophobicContact CG2-CE2 4.36Å; I332-Y390 HydrophobicContact CG2-CG 4.38Å; I332-F392 HydrophobicContact CG2-CZ 4.28Å; I332-I393 HydrophobicContact CD1-CD1 3.64Å; I332-I393 HydrophobicContact CG1-CD1 4.04Å
333E97.5Very high98.5Very high70 Ų707.5 Ų7.533%0.3273%0.034SC..Hα-helixtrans-76.2-34.5-170.8-68.1-164.9-179.800113.7Y60 K61 R329 W330 Y390Y60-E333 PolarHBondContact OH-OE2 3.47Å; K61-E333 IonicContact NZ-OE2 3.18Å; R329-E333 HydrophobicContact CG-CG 4.13Å; R329-E333 IonicContact CZ-OE1 3.83Å; R329-E333 VanDerWaalsContact NE-CD 3.35Å; R329-E333 IonicContact NE-OE1 3.53Å; R329-E333 PolarHBondContact NE-OE1 3.38Å; R329-E333 IonicContact NE-OE2 3.4Å; R329-E333 IonicContact NH2-OE1 3.8Å; R329-E333 PolarHBondContact NH2-OE1 3.23Å; R329-E333 IonicContact NH2-OE2 3.39Å; R329-E333 PolarHBondContact O-N 2.84Å; W330-E333 PolarHBondContact O-N 3.18Å; E333-Y390 PolarHBondContact OE1-OH 3.24Å; E333-Y390 VanDerWaalsContact OE1-OH 3.11Å
334E97.1Very high98.4Very high40 Ų407.6 Ų7.619%0.1874%0.035CC..Hα-helixtrans-87.8-31.7-176.2-70-68.3137.500114.1R169 R256 W330R169-E334 IonicContact NH1-OE2 2.7Å; R256-E334 WeakPolarHBondContact CD-O 3.22Å; R256-E334 PolarHBondContact NE-O 3.16Å; R256-E334 IonicContact NH2-OE2 3.63Å; R256-E334 PolarHBondContact NH2-OE2 3.25Å; W330-E334 HydrophobicContact CD2-CB 4.24Å; W330-E334 HydrophobicContact CD2-CG 3.52Å; W330-E334 HydrophobicContact CE3-CB 4.42Å; W330-E334 HydrophobicContact CE3-CG 3.27Å; W330-E334 HydrophobicContact CG-CG 4.32Å; W330-E334 HydrophobicContact CH2-CG 3.58Å; W330-E334 HydrophobicContact CZ2-CB 4.37Å; W330-E334 HydrophobicContact CZ2-CG 3.82Å; W330-E334 HydrophobicContact CZ3-CG 3.31Å; W330-E334 VanDerWaalsContact O-CB 3.24Å; W330-E334 WeakPolarHBondContact O-CB 3.46Å; W330-E334 PolarHBondContact O-N 3.25Å
335Y98.5Very high98.3Very high1 Ų17.6 Ų7.60%0.0044%0.035CC..Hα-helixtrans-120.2-14.6-172.8-63.2-73000113.6A245 P252 L255 R256 V259 W330 W331 F337A245-Y335 HydrophobicContact CB-CE1 4.49Å; P252-Y335 HydrophobicContact CB-CE1 4.07Å; L255-Y335 HydrophobicContact CB-CD1 4.28Å; L255-Y335 HydrophobicContact CB-CE1 4.29Å; L255-Y335 HydrophobicContact CD2-CD1 3.7Å; L255-Y335 HydrophobicContact CD2-CE1 3.78Å; L255-Y335 HydrophobicContact CD2-CG 4.14Å; L255-Y335 HydrophobicContact CG-CD1 3.84Å; L255-Y335 HydrophobicContact CG-CE1 4.19Å; R256-Y335 HydrophobicContact CG-CD1 3.7Å; R256-Y335 HydrophobicContact CG-CE1 4.18Å; V259-Y335 WeakPolarHBondContact CB-O 3.28Å; V259-Y335 WeakPolarHBondContact CG1-O 3.4Å; W330-Y335 AromaticContact NE1-CE2 3.6Å; W331-Y335 HydrophobicContact CD2-CD2 4.21Å; W331-Y335 AromaticContact CE3-CD2 3.41Å; W331-Y335 HydrophobicContact CE3-CD2 3.41Å; W331-Y335 VanDerWaalsContact CE3-CD2 3.41Å; W331-Y335 AromaticContact CE3-CE2 3.87Å; W331-Y335 HydrophobicContact CE3-CE2 3.87Å; W331-Y335 HydrophobicContact CE3-CG 4.16Å; W331-Y335 HydrophobicContact CH2-CE2 4.2Å; W331-Y335 AromaticContact CZ3-CD2 3.62Å; W331-Y335 HydrophobicContact CZ3-CD2 3.62Å; W331-Y335 AromaticContact CZ3-CE2 3.7Å; W331-Y335 HydrophobicContact CZ3-CE2 3.7Å; W331-Y335 HydrophobicContact CZ3-CG 4.27Å; W331-Y335 PolarHBondContact O-N 3.35Å; Y335-F337 HydrophobicContact CG-CE2 4.46Å
336G98.2Very high98.1Very high1 Ų19.7 Ų9.71%0.015%0.046CC..  trans85.822.1178.400000114.5H176 H263 W331 I332H176-G336 PolarHBondContact CE1-O 3.14Å; H176-G336 PolarHBondContact ND1-O 2.85Å; H263-G336 PolarHBondContact CE1-O 3.23Å; H263-G336 PolarHBondContact NE2-O 3.22Å; W331-G336 PolarHBondContact O-N 2.96Å; I332-G336 WeakPolarHBondContact O-CA 3.34Å; I332-G336 PolarHBondContact O-N 3.12Å
337F98.8Very high98Very high0 Ų09.9 Ų9.90%05%0.047CC..  trans-62.8144.9177.8-80.5-104000112.1L226 V259 V269 L271 W331 Y335L226-F337 HydrophobicContact CD1-CE1 3.87Å; L226-F337 HydrophobicContact CD1-CZ 3.4Å; L226-F337 VanDerWaalsContact CD1-CZ 3.4Å; V259-F337 HydrophobicContact CG2-CD2 4.5Å; V259-F337 HydrophobicContact CG2-CE2 3.91Å; V259-F337 HydrophobicContact CG2-CZ 4.24Å; V269-F337 HydrophobicContact CB-CD1 4.46Å; V269-F337 HydrophobicContact CG1-CD1 3.79Å; V269-F337 HydrophobicContact CG1-CE1 3.53Å; V269-F337 HydrophobicContact CG1-CZ 4.04Å; L271-F337 HydrophobicContact CB-CD1 3.5Å; L271-F337 VanDerWaalsContact CB-CD1 3.5Å; L271-F337 HydrophobicContact CB-CE1 3.63Å; L271-F337 HydrophobicContact CB-CG 4.34Å; L271-F337 HydrophobicContact CD1-CE1 4.24Å; L271-F337 HydrophobicContact CG-CE1 4.5Å; W331-F337 HydrophobicContact CB-CB 4.41Å; W331-F337 HydrophobicContact CB-CD2 4.35Å; W331-F337 HydrophobicContact CB-CG 4.44Å; W331-F337 HydrophobicContact CE3-CD2 4Å; W331-F337 AromaticContact CE3-CE2 3.71Å; W331-F337 HydrophobicContact CE3-CE2 3.71Å; W331-F337 HydrophobicContact CE3-CZ 4.3Å; W331-F337 HydrophobicContact CZ3-CE2 4.14Å; W331-F337 WeakPolarHBondContact O-CD2 3.39Å; W331-F337 PolarHBondContact O-N 3.37Å; W331-F337 VanDerWaalsContact O-N 3.15Å; Y335-F337 HydrophobicContact CG-CE2 4.46Å
338D98.8Very high97.9Very high2 Ų210.2 Ų10.21%0.0115%0.049CC..  trans-104.70.9-173-57.4-60.5000112.9H176 H263 V268 V269 I393 I394H176-D338 IonicContact CE1-OD1 2.78Å; H176-D338 IonicContact CG-OD1 3.76Å; H176-D338 IonicContact ND1-OD1 2.62Å; H176-D338 PolarHBondContact ND1-OD1 3.08Å; H263-D338 IonicContact CD2-OD2 2.79Å; H263-D338 PolarHBondContact CD2-OD2 3.28Å; H263-D338 IonicContact CE1-OD1 2.79Å; H263-D338 IonicContact CE1-OD2 3.93Å; H263-D338 IonicContact NE2-OD1 3.28Å; H263-D338 PolarHBondContact NE2-OD1 2.84Å; H263-D338 IonicContact NE2-OD2 3.16Å; H263-D338 PolarHBondContact NE2-OD2 3.13Å; V268-D338 WeakPolarHBondContact CA-OD2 3.43Å; V268-D338 HydrophobicContact CB-CB 4.43Å; V268-D338 HydrophobicContact CG1-CB 3.58Å; V269-D338 PolarHBondContact N-OD2 3.4Å; V269-D338 PolarHBondContact O-N 3.29Å; D338-I393 WeakPolarHBondContact O-CA 3.24Å; D338-I394 PolarHBondContact O-N 2.96Å; D338-I394 VanDerWaalsContact O-N 3.11Å
339G98.7Very high97.8Very high0 Ų010.2 Ų10.20%05%0.049CC..EExtended strand (participates in β ladder)trans162.4-173.4-176.400000113.6L270 L271 I394L270-G339 WeakPolarHBondContact CA-O 3.27Å; L271-G339 PolarHBondContact N-O 3.24Å; G339-I394 CarbonylContact C-O 3.54Å; G339-I394 WeakPolarHBondContact CA-O 3.5Å
340F98.9Very high97.6Very high0 Ų010 Ų100%05%0.048CC..EExtended strand (participates in β ladder)trans-146.1136.9-166.6-63.4-68.3000111.6L271 V273 L328 W331 I332 F342 L386 I393 I394 T395 I396L271-F340 HydrophobicContact CB-CD1 3.86Å; L271-F340 HydrophobicContact CB-CE1 4.04Å; L271-F340 HydrophobicContact CD2-CD1 4.32Å; L271-F340 HydrophobicContact CD2-CE1 4.03Å; L271-F340 HydrophobicContact CG-CD1 4.46Å; L271-F340 CarbonylContact O-C 3.59Å; L271-F340 VanDerWaalsContact O-CA 3.3Å; L271-F340 WeakPolarHBondContact O-CA 3.35Å; V273-F340 HydrophobicContact CB-CD1 4.22Å; V273-F340 HydrophobicContact CG1-CB 3.53Å; V273-F340 HydrophobicContact CG1-CD1 3.52Å; V273-F340 HydrophobicContact CG1-CG 3.81Å; L328-F340 HydrophobicContact CB-CE2 4.07Å; L328-F340 HydrophobicContact CB-CZ 4.1Å; L328-F340 HydrophobicContact CD2-CD1 4.05Å; L328-F340 HydrophobicContact CD2-CD2 3.95Å; L328-F340 HydrophobicContact CD2-CE1 4.05Å; L328-F340 HydrophobicContact CD2-CE2 3.91Å; L328-F340 HydrophobicContact CD2-CG 4.02Å; L328-F340 HydrophobicContact CD2-CZ 3.99Å; L328-F340 VanDerWaalsContact O-CZ 3.31Å; L328-F340 WeakPolarHBondContact O-CZ 3.43Å; W331-F340 HydrophobicContact CB-CE1 4.07Å; W331-F340 HydrophobicContact CB-CZ 4.27Å; I332-F340 HydrophobicContact CD1-CE2 3.91Å; I332-F340 HydrophobicContact CD1-CZ 4.18Å; I332-F340 HydrophobicContact CG1-CE2 4.08Å; I332-F340 HydrophobicContact CG1-CZ 3.91Å; F340-F342 HydrophobicContact CB-CD2 3.76Å; F340-F342 HydrophobicContact CB-CE2 3.47Å; F340-F342 VanDerWaalsContact CB-CE2 3.47Å; F340-F342 HydrophobicContact CB-CZ 4.4Å; F340-F342 HydrophobicContact CD2-CE2 4.37Å; F340-F342 HydrophobicContact CG-CE2 4.15Å; F340-L386 HydrophobicContact CD2-CD1 3.88Å; F340-L386 HydrophobicContact CE2-CD1 4.11Å; F340-L386 HydrophobicContact CE2-CD2 3.94Å; F340-I393 HydrophobicContact CD2-CD1 4.42Å; F340-I393 HydrophobicContact CE2-CD1 4.1Å; F340-I394 PolarHBondContact N-O 3.46Å; F340-T395 CarbonylContact O-C 3.47Å; F340-T395 WeakPolarHBondContact O-CA 3.14Å; F340-I396 PolarHBondContact O-N 2.77Å
341R98.7Very high97.4Very high3 Ų313.2 Ų13.21%0.0116%0.064CC..EExtended strand (participates in β ladder)trans-98.7117.7154.9177.9-94.5-167.1-170.60107.4Q222 L271 D272 V273 D343 I396 E398Q222-R341 VanDerWaalsContact CD-CB 3.5Å; Q222-R341 HydrophobicContact CG-CB 4.07Å; L271-R341 PolarHBondContact O-N 3.11Å; D272-R341 WeakPolarHBondContact CA-O 3.36Å; D272-R341 VanDerWaalsContact CG-CD 3.48Å; D272-R341 WeakPolarHBondContact OD1-CD 3.44Å; D272-R341 IonicContact OD1-CZ 3Å; D272-R341 IonicContact OD1-NE 3.98Å; D272-R341 IonicContact OD1-NH1 3.51Å; D272-R341 PolarHBondContact OD1-NH1 3.21Å; D272-R341 WeakPolarHBondContact OD2-CD 3.22Å; D272-R341 IonicContact OD2-CZ 3.48Å; D272-R341 IonicContact OD2-NE 2.8Å; D272-R341 IonicContact OD2-NH1 2.77Å; D272-R341 PolarHBondContact OD2-NH1 2.96Å; V273-R341 VanDerWaalsContact CG1-O 3.29Å; V273-R341 WeakPolarHBondContact CG1-O 3.37Å; V273-R341 PolarHBondContact N-O 3.03Å; R341-D343 IonicContact CZ-OD1 3.37Å; R341-D343 IonicContact NH1-OD1 2.69Å; R341-D343 PolarHBondContact NH1-OD1 3.29Å; R341-D343 IonicContact NH2-OD1 3.79Å; R341-I396 CarbonylContact C-O 3.57Å; R341-I396 WeakPolarHBondContact CA-O 3.32Å; R341-I396 HydrophobicContact CB-CB 4.27Å; R341-I396 HydrophobicContact CG-CB 4.42Å; R341-I396 HydrophobicContact CG-CG2 4.4Å; R341-E398 IonicContact CZ-OE1 2.71Å; R341-E398 VanDerWaalsContact NH2-CG 3.26Å; R341-E398 IonicContact NH2-OE1 3.51Å; R341-E398 PolarHBondContact NH2-OE1 3.19Å; R341-E398 IonicContact NH2-OE2 3.51Å
342F98.7Very high97Very high1 Ų115.7 Ų15.70%0.0048%0.075CC..EExtended strand (participates in β ladder)trans-86114.9178.8-76.2-112.4000109.1V273 L328 F340 V345 L379 L386 T395 I396 E398 F417V273-F342 HydrophobicContact CG1-CD1 4.46Å; V273-F342 HydrophobicContact CG1-CD2 4.09Å; V273-F342 HydrophobicContact CG1-CE2 4.35Å; V273-F342 HydrophobicContact CG1-CG 4.18Å; L328-F342 HydrophobicContact CD1-CE1 4.34Å; L328-F342 HydrophobicContact CD1-CZ 3.95Å; L328-F342 HydrophobicContact CD2-CE1 4.14Å; L328-F342 HydrophobicContact CD2-CE2 4.48Å; L328-F342 HydrophobicContact CD2-CZ 3.71Å; L328-F342 HydrophobicContact CG-CZ 4.5Å; F340-F342 HydrophobicContact CB-CD2 3.76Å; F340-F342 HydrophobicContact CB-CE2 3.47Å; F340-F342 VanDerWaalsContact CB-CE2 3.47Å; F340-F342 HydrophobicContact CB-CZ 4.4Å; F340-F342 HydrophobicContact CD2-CE2 4.37Å; F340-F342 HydrophobicContact CG-CE2 4.15Å; F342-V345 HydrophobicContact CB-CG2 3.53Å; F342-V345 WeakPolarHBondContact O-CG2 3.32Å; F342-L379 HydrophobicContact CD1-CD2 4.29Å; F342-L386 HydrophobicContact CZ-CD1 4.42Å; F342-T395 HydrophobicContact CE2-CG2 4.24Å; F342-I396 PolarHBondContact N-O 2.93Å; F342-E398 VanDerWaalsContact O-CB 3.3Å; F342-E398 WeakPolarHBondContact O-CB 3.27Å; F342-E398 PolarHBondContact O-N 2.94Å; F342-F417 HydrophobicContact CB-CE1 3.94Å; F342-F417 HydrophobicContact CB-CZ 4.02Å; F342-F417 HydrophobicContact CD1-CZ 4.28Å; F342-F417 AromaticContact CD2-CE1 3.47Å; F342-F417 HydrophobicContact CD2-CE1 3.47Å; F342-F417 VanDerWaalsContact CD2-CE1 3.47Å; F342-F417 HydrophobicContact CD2-CZ 4.05Å; F342-F417 HydrophobicContact CE2-CE1 4.02Å; F342-F417 AromaticContact CG-CE1 3.74Å; F342-F417 HydrophobicContact CG-CE1 3.74Å; F342-F417 AromaticContact CG-CZ 3.87Å; F342-F417 HydrophobicContact CG-CZ 3.87Å
343D97.5Very high96.6Very high9 Ų917.4 Ų17.45%0.0488%0.083CC..THydrogen-bonded Turntrans-73.9140.6176.7-178.475.8000112.2Y237 V273 V274 S276 H277 R341 V345Y237-D343 HydrophobicContact CD1-CB 4.37Å; Y237-D343 HydrophobicContact CE1-CB 4.14Å; Y237-D343 WeakPolarHBondContact CE1-OD1 3.19Å; V273-D343 WeakPolarHBondContact O-CB 3.13Å; V273-D343 PolarHBondContact O-N 3.29Å; V274-D343 HydrophobicContact CB-CB 4.48Å; V274-D343 HydrophobicContact CG1-CB 4.47Å; V274-D343 HydrophobicContact CG2-CB 4.17Å; S276-D343 VanDerWaalsContact CB-O 3.31Å; S276-D343 WeakPolarHBondContact CB-O 3.36Å; S276-D343 PolarHBondContact OG-O 3.22Å; S276-D343 VanDerWaalsContact OG-O 3.06Å; H277-D343 IonicContact CE1-OD2 2.78Å; H277-D343 PolarHBondContact CE1-OD2 3.15Å; R341-D343 IonicContact CZ-OD1 3.37Å; R341-D343 IonicContact NH1-OD1 2.69Å; R341-D343 PolarHBondContact NH1-OD1 3.29Å; R341-D343 IonicContact NH2-OD1 3.79Å; D343-V345 VanDerWaalsContact C-N 3.33Å; D343-V345 PolarHBondContact O-N 2.75Å
344G95.8Very high96Very high2 Ų214.7 Ų14.72%0.0217%0.074CC..THydrogen-bonded Turntrans67.427.6171.200000114.1M346 S347 M348 E398G344-M346 VanDerWaalsContact C-N 3.27Å; G344-M346 PolarHBondContact O-N 3.17Å; G344-S347 WeakPolarHBondContact O-CA 3.39Å; G344-S347 WeakPolarHBondContact O-CB 3.5Å; G344-S347 PolarHBondContact O-N 3.31Å; G344-M348 WeakPolarHBondContact O-CG 3.24Å; G344-M348 PolarHBondContact O-N 2.73Å; G344-E398 VanDerWaalsContact CA-OE2 3.22Å; G344-E398 WeakPolarHBondContact CA-OE2 3.5Å; G344-E398 PolarHBondContact N-OE2 2.82Å
345V97.9Very high95.3Very high0 Ų015 Ų150%08%0.077CC..Hα-helixtrans-60.8-37.9-178174.60000110.8F342 D343 S347 M348 L349 L379 A397 E398 E399 L406 F417F342-V345 HydrophobicContact CB-CG2 3.53Å; F342-V345 WeakPolarHBondContact O-CG2 3.32Å; D343-V345 VanDerWaalsContact C-N 3.33Å; D343-V345 PolarHBondContact O-N 2.75Å; V345-S347 VanDerWaalsContact C-N 3.28Å; V345-S347 PolarHBondContact O-N 2.77Å; V345-M348 HydrophobicContact CG2-SD 4.5Å; V345-M348 WeakPolarHBondContact O-CB 3.41Å; V345-M348 PolarHBondContact O-N 2.7Å; V345-L349 HydrophobicContact CG1-CD1 3.95Å; V345-L349 HydrophobicContact CG1-CG 4.04Å; V345-L349 WeakPolarHBondContact O-CG 3.34Å; V345-L349 PolarHBondContact O-N 3.26Å; V345-L379 HydrophobicContact CG1-CD1 3.88Å; V345-A397 HydrophobicContact CB-CB 4.22Å; V345-A397 HydrophobicContact CG1-CB 4.16Å; V345-A397 HydrophobicContact CG2-CB 4.04Å; V345-E398 WeakPolarHBondContact CB-O 3.46Å; V345-E398 PolarHBondContact N-O 2.87Å; V345-E398 VanDerWaalsContact N-O 3.12Å; V345-E399 HydrophobicContact CB-CB 4.11Å; V345-E399 HydrophobicContact CB-CG 4.4Å; V345-E399 HydrophobicContact CG1-CB 4Å; V345-E399 HydrophobicContact CG1-CG 3.92Å; V345-L406 HydrophobicContact CG1-CD1 4.48Å; V345-L406 HydrophobicContact CG1-CD2 4.37Å; V345-F417 HydrophobicContact CG2-CZ 4.11Å
346M94.9Very high94.3Very high45 Ų4524.4 Ų24.422%0.22212%0.123CC..Hα-helixtrans-57.7-42.2171.9-176.3-174.96000111.8G344 M348 L349 Y350 F359 E398 V400G344-M346 VanDerWaalsContact C-N 3.27Å; G344-M346 PolarHBondContact O-N 3.17Å; M346-M348 VanDerWaalsContact C-N 3.3Å; M346-M348 PolarHBondContact O-N 3.3Å; M346-L349 PolarHBondContact O-N 3.12Å; M346-Y350 HydrophobicContact CG-CD2 4.15Å; M346-Y350 HydrophobicContact CG-CE2 4.17Å; M346-Y350 VanDerWaalsContact O-CD2 3.28Å; M346-Y350 WeakPolarHBondContact O-CD2 3.45Å; M346-F359 HydrophobicContact SD-CE2 4.38Å; M346-E398 PolarHBondContact N-O 2.82Å; M346-V400 HydrophobicContact CB-CG2 4.49Å; M346-V400 HydrophobicContact CE-CG2 3.84Å; M346-V400 HydrophobicContact CG-CG2 4.39Å; M346-V400 HydrophobicContact SD-CG2 3.27Å; M346-V400 WeakPolarHBondContact SD-CG2 3.49Å
347S95.2Very high93.6Very high3 Ų326.7 Ų26.72%0.02114%0.137CC..Hα-helixtrans-66.4-33.6179.3-179.30000112.4H305 W308 G344 V345 H353H305-S347 PolarHBondContact CD2-OG 2.84Å; H305-S347 VanDerWaalsContact CD2-OG 3.29Å; H305-S347 PolarHBondContact NE2-OG 3.19Å; W308-S347 WeakPolarHBondContact CZ3-OG 3.27Å; G344-S347 WeakPolarHBondContact O-CA 3.39Å; G344-S347 WeakPolarHBondContact O-CB 3.5Å; G344-S347 PolarHBondContact O-N 3.31Å; V345-S347 VanDerWaalsContact C-N 3.28Å; V345-S347 PolarHBondContact O-N 2.77Å; S347-H353 PolarHBondContact O-ND1 3.13Å; S347-H353 WeakPolarHBondContact OG-CB 3.34Å
348M97.3Very high93Very high8 Ų834.3 Ų34.34%0.03918%0.177CC..Hα-helixtrans-65.9-46173-661736900111.8S276 Y315 G344 V345 M346 Y350 D372 S375 Y378 L379S276-M348 VanDerWaalsContact CB-CG 3.49Å; Y315-M348 HydrophobicContact CE1-CE 4.04Å; G344-M348 WeakPolarHBondContact O-CG 3.24Å; G344-M348 PolarHBondContact O-N 2.73Å; V345-M348 HydrophobicContact CG2-SD 4.5Å; V345-M348 WeakPolarHBondContact O-CB 3.41Å; V345-M348 PolarHBondContact O-N 2.7Å; M346-M348 VanDerWaalsContact C-N 3.3Å; M346-M348 PolarHBondContact O-N 3.3Å; M348-Y350 PolarHBondContact O-N 3.02Å; M348-D372 WeakPolarHBondContact O-CB 3.41Å; M348-S375 VanDerWaalsContact C-OG 3.28Å; M348-S375 VanDerWaalsContact O-CB 3.28Å; M348-S375 WeakPolarHBondContact O-CB 3.32Å; M348-S375 PolarHBondContact O-OG 2.94Å; M348-Y378 HydrophobicContact CE-CD1 3.65Å; M348-Y378 HydrophobicContact CE-CE1 3.86Å; M348-L379 HydrophobicContact CE-CD1 4.35Å; M348-L379 HydrophobicContact CE-CD2 3.64Å; M348-L379 HydrophobicContact CE-CG 3.97Å; M348-L379 HydrophobicContact SD-CD2 4.3Å
349L96.7Very high92.4Very high0 Ų036.5 Ų36.50%019%0.187CC..Hα-helixtrans-66.5-19.8-169.3-74.6177.4000114.6V345 M346 V371 D372 F376 L379 E399 M403 L406V345-L349 HydrophobicContact CG1-CD1 3.95Å; V345-L349 HydrophobicContact CG1-CG 4.04Å; V345-L349 WeakPolarHBondContact O-CG 3.34Å; V345-L349 PolarHBondContact O-N 3.26Å; M346-L349 PolarHBondContact O-N 3.12Å; L349-V371 CarbonylContact O-C 3.54Å; L349-V371 VanDerWaalsContact O-CA 3.32Å; L349-V371 WeakPolarHBondContact O-CA 3.27Å; L349-V371 WeakPolarHBondContact O-CG1 3.43Å; L349-D372 PolarHBondContact O-N 2.9Å; L349-F376 HydrophobicContact CD2-CB 4.45Å; L349-F376 HydrophobicContact CD2-CD2 3.44Å; L349-F376 VanDerWaalsContact CD2-CD2 3.44Å; L349-F376 HydrophobicContact CD2-CE2 4.14Å; L349-F376 HydrophobicContact CD2-CG 4.42Å; L349-L379 HydrophobicContact CD2-CD1 4Å; L349-E399 HydrophobicContact CD1-CG 3.48Å; L349-E399 VanDerWaalsContact CD1-CG 3.48Å; L349-M403 HydrophobicContact CD1-CB 3.92Å; L349-M403 HydrophobicContact CD1-CG 4.02Å; L349-L406 HydrophobicContact CD1-CD1 4.43Å; L349-L406 HydrophobicContact CD1-CD2 4.45Å
350Y95.3Very high91.9Very high0 Ų040.9 Ų40.90%022%0.218CC..BIsolated β-bridgetrans-133.6140.6-172.9-54.8-78.9000112.3M346 M348 H352 H353 F359 Y366 S370 V371 S401M346-Y350 HydrophobicContact CG-CD2 4.15Å; M346-Y350 HydrophobicContact CG-CE2 4.17Å; M346-Y350 VanDerWaalsContact O-CD2 3.28Å; M346-Y350 WeakPolarHBondContact O-CD2 3.45Å; M348-Y350 PolarHBondContact O-N 3.02Å; Y350-H352 WeakPolarHBondContact CB-NE2 3.41Å; Y350-H352 AromaticContact CD1-NE2 3.73Å; Y350-H352 AromaticContact CG-CE1 3.72Å; Y350-H352 AromaticContact CG-NE2 3.65Å; Y350-H352 PolarHBondContact O-N 2.91Å; Y350-H353 WeakPolarHBondContact O-CA 3.05Å; Y350-H353 PolarHBondContact O-N 3.2Å; Y350-H353 PolarHBondContact O-ND1 2.87Å; Y350-F359 HydrophobicContact CD1-CZ 4.3Å; Y350-F359 AromaticContact CD2-CZ 3.95Å; Y350-F359 HydrophobicContact CD2-CZ 3.95Å; Y350-F359 AromaticContact CE1-CE1 3.81Å; Y350-F359 HydrophobicContact CE1-CE1 3.81Å; Y350-F359 AromaticContact CE1-CZ 3.93Å; Y350-F359 HydrophobicContact CE1-CZ 3.93Å; Y350-F359 HydrophobicContact CE2-CE1 4.11Å; Y350-F359 HydrophobicContact CE2-CE2 4.39Å; Y350-F359 AromaticContact CE2-CZ 3.57Å; Y350-F359 HydrophobicContact CE2-CZ 3.57Å; Y350-F359 HydrophobicContact CG-CZ 4.32Å; Y350-F359 AromaticContact CZ-CE1 3.6Å; Y350-F359 AromaticContact CZ-CZ 3.56Å; Y350-Y366 WeakPolarHBondContact OH-CD1 3.38Å; Y350-S370 CarbonylContact C-O 3.44Å; Y350-S370 VanDerWaalsContact CA-O 3.3Å; Y350-S370 WeakPolarHBondContact CA-O 3.17Å; Y350-V371 HydrophobicContact CD1-CG2 4.04Å; Y350-V371 HydrophobicContact CE1-CG2 3.82Å; Y350-S401 WeakPolarHBondContact CE2-OG 3.48Å; Y350-S401 WeakPolarHBondContact OH-CB 3.42Å; Y350-S401 PolarHBondContact OH-OG 3.2Å
351H93.2Very high91.3Very high90 Ų9042.4 Ų42.442%0.41723%0.233SC..THydrogen-bonded Turntrans-64.3-20.8175.3-64.8-48.2000113.9H353 L369 S370 D372H351-H353 VanDerWaalsContact C-N 3.34Å; H351-H353 PolarHBondContact O-NE2 3.29Å; H351-L369 PolarHBondContact CD2-O 2.92Å; H351-S370 PolarHBondContact N-O 3.36Å; H351-D372 IonicContact CE1-OD1 2.67Å; H351-D372 IonicContact CE1-OD2 3.81Å; H351-D372 PolarHBondContact CE1-OD2 3.09Å; H351-D372 IonicContact ND1-OD2 2.77Å; H351-D372 PolarHBondContact ND1-OD2 3.29Å
352H91.4Very high90.8Very high51 Ų5147.7 Ų47.724%0.23626%0.258CS..THydrogen-bonded Turntrans-90.71.9172.96174.5000112.7Y350 G354 L355 T357 F359Y350-H352 WeakPolarHBondContact CB-NE2 3.41Å; Y350-H352 AromaticContact CD1-NE2 3.73Å; Y350-H352 AromaticContact CG-CE1 3.72Å; Y350-H352 AromaticContact CG-NE2 3.65Å; Y350-H352 PolarHBondContact O-N 2.91Å; H352-G354 WeakPolarHBondContact ND1-CA 3.47Å; H352-G354 PolarHBondContact ND1-N 2.91Å; H352-G354 PolarHBondContact O-N 3.11Å; H352-G354 VanDerWaalsContact O-N 3.07Å; H352-L355 WeakPolarHBondContact O-CB 3.33Å; H352-L355 PolarHBondContact O-N 3.23Å; H352-T357 PolarHBondContact CE1-OG1 3.25Å; H352-T357 PolarHBondContact ND1-OG1 2.9Å; H352-F359 AromaticContact CE1-CZ 3.84Å
353H90.1Very high90.5Very high39 Ų3949 Ų4918%0.18126%0.263CS..THydrogen-bonded Turntrans57.923.4176-52.6-57.6000115.2H305 L312 S347 Y350 H351 L355H305-H353 AromaticContact CD2-CG 3.8Å; H305-H353 WeakPolarHBondContact NE2-CB 3.31Å; H305-H353 AromaticContact NE2-CG 3.97Å; L312-H353 WeakPolarHBondContact CD1-CE1 3.42Å; S347-H353 PolarHBondContact O-ND1 3.13Å; S347-H353 WeakPolarHBondContact OG-CB 3.34Å; Y350-H353 WeakPolarHBondContact O-CA 3.05Å; Y350-H353 PolarHBondContact O-N 3.2Å; Y350-H353 PolarHBondContact O-ND1 2.87Å; H351-H353 VanDerWaalsContact C-N 3.34Å; H351-H353 PolarHBondContact O-NE2 3.29Å; H353-L355 HydrophobicContact CB-CG 4.19Å; H353-L355 PolarHBondContact O-N 3.43Å
354G84.2Confident90.2Very high13 Ų1349.9 Ų49.913%0.13428%0.275CS..THydrogen-bonded Turntrans69.92.4-171.100000114.9H352H352-G354 WeakPolarHBondContact ND1-CA 3.47Å; H352-G354 PolarHBondContact ND1-N 2.91Å; H352-G354 PolarHBondContact O-N 3.11Å; H352-G354 VanDerWaalsContact O-N 3.07Å
355L82Confident90Very high48 Ų4852.5 Ų52.525%0.25129%0.286SS..THydrogen-bonded Turntrans-69.5133.4-180-58.2-177.8000110.9L307 H352 H353 T357L307-L355 HydrophobicContact CB-CD1 4.45Å; L307-L355 HydrophobicContact CB-CD2 4.31Å; L307-L355 HydrophobicContact CD1-CD1 4.25Å; L307-L355 HydrophobicContact CD1-CD2 3.38Å; L307-L355 HydrophobicContact CD1-CG 4.41Å; L307-L355 HydrophobicContact CG-CD2 4.46Å; H352-L355 WeakPolarHBondContact O-CB 3.33Å; H352-L355 PolarHBondContact O-N 3.23Å; H353-L355 HydrophobicContact CB-CG 4.19Å; H353-L355 PolarHBondContact O-N 3.43Å; L355-T357 PolarHBondContact O-N 3.38Å; L355-T357 PolarHBondContact O-OG1 2.92Å
356M78.8Confident89.8Confident198 Ų19852.7 Ų52.798%0.97529%0.287SS*.THydrogen-bonded Turntrans52.125175-58.8179.3-7600114.4
357T83.9Confident89.7Confident49 Ų4951.6 Ų51.630%0.30128%0.281SS..  trans-120.2124.9-175.8-56.70000109.3H352 L355 F359H352-T357 PolarHBondContact CE1-OG1 3.25Å; H352-T357 PolarHBondContact ND1-OG1 2.9Å; L355-T357 PolarHBondContact O-N 3.38Å; L355-T357 PolarHBondContact O-OG1 2.92Å; T357-F359 HydrophobicContact CG2-CE2 4.08Å; T357-F359 HydrophobicContact CG2-CZ 4.11Å
358N84.2Confident89.5Confident159 Ų15953 Ų5385%0.8530%0.296SS*.  trans-103.1129.2171.9-73.5-16.3000108.8
359F87.1Confident89.1Confident49 Ų4960.9 Ų60.922%0.21534%0.338CS..  trans-92.2127.3175.5-66.9-88.6000109.7M346 Y350 H352 T357 G361 E365 Y366 S401M346-F359 HydrophobicContact SD-CE2 4.38Å; Y350-F359 HydrophobicContact CD1-CZ 4.3Å; Y350-F359 AromaticContact CD2-CZ 3.95Å; Y350-F359 HydrophobicContact CD2-CZ 3.95Å; Y350-F359 AromaticContact CE1-CE1 3.81Å; Y350-F359 HydrophobicContact CE1-CE1 3.81Å; Y350-F359 AromaticContact CE1-CZ 3.93Å; Y350-F359 HydrophobicContact CE1-CZ 3.93Å; Y350-F359 HydrophobicContact CE2-CE1 4.11Å; Y350-F359 HydrophobicContact CE2-CE2 4.39Å; Y350-F359 AromaticContact CE2-CZ 3.57Å; Y350-F359 HydrophobicContact CE2-CZ 3.57Å; Y350-F359 HydrophobicContact CG-CZ 4.32Å; Y350-F359 AromaticContact CZ-CE1 3.6Å; Y350-F359 AromaticContact CZ-CZ 3.56Å; H352-F359 AromaticContact CE1-CZ 3.84Å; T357-F359 HydrophobicContact CG2-CE2 4.08Å; T357-F359 HydrophobicContact CG2-CZ 4.11Å; F359-G361 VanDerWaalsContact C-N 3.29Å; F359-E365 WeakPolarHBondContact CA-OE2 3.11Å; F359-E365 HydrophobicContact CD1-CB 4.31Å; F359-Y366 HydrophobicContact CD1-CD1 4.48Å; F359-Y366 AromaticContact CD1-CE1 3.8Å; F359-Y366 HydrophobicContact CD1-CE1 3.8Å; F359-Y366 HydrophobicContact CE1-CE1 4.25Å; F359-S401 VanDerWaalsContact CD2-CB 3.44Å
360S87.2Confident88.9Confident92 Ų9263 Ų6364%0.64335%0.352SS*.  trans-83.3-10.9176.8101.70000112.3H362 E365S360-H362 VanDerWaalsContact C-N 3.28Å; S360-H362 VanDerWaalsContact OG-CB 3.28Å; S360-H362 WeakPolarHBondContact OG-CB 3.33Å; S360-H362 PolarHBondContact OG-N 3.15Å; S360-E365 VanDerWaalsContact CB-OE1 3.3Å; S360-E365 WeakPolarHBondContact CB-OE1 3.48Å; S360-E365 PolarHBondContact N-OE1 2.71Å; S360-E365 PolarHBondContact N-OE2 3.33Å; S360-E365 PolarHBondContact OG-OE1 2.82Å
361G86.2Confident88.9Confident32 Ų3263.2 Ų63.233%0.3335%0.354SS..SBendtrans86-3.9-169.500000113.6F359 Y363 E365 Y366F359-G361 VanDerWaalsContact C-N 3.29Å; G361-Y363 PolarHBondContact O-N 3.39Å; G361-E365 PolarHBondContact N-OE2 3.16Å; G361-Y366 WeakPolarHBondContact CA-OH 3.31Å
362H89.7Confident89Confident113 Ų11359.6 Ų59.652%0.52334%0.337SS..  trans-71.1126.8178.8-179.2-89.6000110.5S360 G364 E365 Y366S360-H362 VanDerWaalsContact C-N 3.28Å; S360-H362 VanDerWaalsContact OG-CB 3.28Å; S360-H362 WeakPolarHBondContact OG-CB 3.33Å; S360-H362 PolarHBondContact OG-N 3.15Å; H362-G364 PolarHBondContact ND1-N 3.47Å; H362-G364 VanDerWaalsContact ND1-N 3.17Å; H362-G364 PolarHBondContact O-N 3.18Å; H362-E365 WeakPolarHBondContact O-CB 3.44Å; H362-E365 WeakPolarHBondContact O-CG 3.28Å; H362-E365 PolarHBondContact O-N 2.91Å; H362-Y366 WeakPolarHBondContact O-CD2 3.46Å; H362-Y366 WeakPolarHBondContact O-CE2 3.34Å
363Y91.4Very high89.2Confident28 Ų2858.5 Ų58.511%0.1133%0.334CS..G310 helixtrans-54-33.6-171.2-73-100.4000113.9D23 W25 L26 Y29 G361 E365 Y366 F367 P404 R454D23-Y363 PolarHBondContact OD1-OH 3.07Å; D23-Y363 VanDerWaalsContact OD1-OH 3.1Å; D23-Y363 VanDerWaalsContact OD2-CE1 3.29Å; D23-Y363 WeakPolarHBondContact OD2-CE1 3.49Å; D23-Y363 VanDerWaalsContact OD2-CZ 3.27Å; D23-Y363 PolarHBondContact OD2-OH 3.06Å; W25-Y363 HydrophobicContact CB-CD2 4.36Å; W25-Y363 HydrophobicContact CB-CE2 3.93Å; W25-Y363 HydrophobicContact CD2-CE2 4.49Å; W25-Y363 AromaticContact CE3-CE2 3.7Å; W25-Y363 HydrophobicContact CE3-CE2 3.7Å; L26-Y363 HydrophobicContact CD2-CD1 3.43Å; L26-Y363 VanDerWaalsContact CD2-CD1 3.43Å; L26-Y363 HydrophobicContact CD2-CE1 3.47Å; L26-Y363 VanDerWaalsContact CD2-CE1 3.47Å; L26-Y363 HydrophobicContact CG-CD1 4.14Å; L26-Y363 HydrophobicContact CG-CE1 3.74Å; Y29-Y363 HydrophobicContact CE2-CG 4.13Å; G361-Y363 PolarHBondContact O-N 3.39Å; Y363-E365 PolarHBondContact O-N 3.14Å; Y363-E365 VanDerWaalsContact O-N 3.12Å; Y363-Y366 WeakPolarHBondContact O-CD2 3.38Å; Y363-Y366 PolarHBondContact O-N 2.68Å; Y363-F367 HydrophobicContact CD1-CE2 4.29Å; Y363-F367 VanDerWaalsContact O-CD2 3.25Å; Y363-F367 WeakPolarHBondContact O-CD2 3.43Å; Y363-P404 HydrophobicContact CD1-CB 4.25Å; Y363-P404 HydrophobicContact CD1-CG 3.76Å; Y363-P404 HydrophobicContact CE1-CB 4.13Å; Y363-P404 HydrophobicContact CE1-CG 3.99Å; Y363-R454 PolarHBondContact OH-NH1 3.27Å
364G90.8Very high89.4Confident29 Ų2959.4 Ų59.430%0.29934%0.338SS..G310 helixtrans-59.4-25.6-179.800000114.4Y29 H362 Y366Y29-G364 WeakPolarHBondContact OH-CA 3.48Å; Y29-G364 PolarHBondContact OH-N 2.95Å; H362-G364 PolarHBondContact ND1-N 3.47Å; H362-G364 VanDerWaalsContact ND1-N 3.17Å; H362-G364 PolarHBondContact O-N 3.18Å; G364-Y366 PolarHBondContact O-N 3.29Å
365E91.5Very high90.1Very high57 Ų5758.8 Ų58.827%0.26633%0.332SS..G310 helixtrans-66.5-24.7177.5-60.7175.3163.700112.3F359 S360 G361 H362 Y363F359-E365 WeakPolarHBondContact CA-OE2 3.11Å; F359-E365 HydrophobicContact CD1-CB 4.31Å; S360-E365 VanDerWaalsContact CB-OE1 3.3Å; S360-E365 WeakPolarHBondContact CB-OE1 3.48Å; S360-E365 PolarHBondContact N-OE1 2.71Å; S360-E365 PolarHBondContact N-OE2 3.33Å; S360-E365 PolarHBondContact OG-OE1 2.82Å; G361-E365 PolarHBondContact N-OE2 3.16Å; H362-E365 WeakPolarHBondContact O-CB 3.44Å; H362-E365 WeakPolarHBondContact O-CG 3.28Å; H362-E365 PolarHBondContact O-N 2.91Å; Y363-E365 PolarHBondContact O-N 3.14Å; Y363-E365 VanDerWaalsContact O-N 3.12Å
366Y94.3Very high90.8Very high3 Ų356.5 Ų56.51%0.01232%0.32CS..G310 helixtrans-102.9-4.3-171.5-53.5-82.4000114.2R36 Y350 F359 G361 H362 Y363 G364 V371 S401 M403 P404R36-Y366 PolarHBondContact NH1-O 3.47Å; R36-Y366 PolarHBondContact NH2-O 3.01Å; Y350-Y366 WeakPolarHBondContact OH-CD1 3.38Å; F359-Y366 HydrophobicContact CD1-CD1 4.48Å; F359-Y366 AromaticContact CD1-CE1 3.8Å; F359-Y366 HydrophobicContact CD1-CE1 3.8Å; F359-Y366 HydrophobicContact CE1-CE1 4.25Å; G361-Y366 WeakPolarHBondContact CA-OH 3.31Å; H362-Y366 WeakPolarHBondContact O-CD2 3.46Å; H362-Y366 WeakPolarHBondContact O-CE2 3.34Å; Y363-Y366 WeakPolarHBondContact O-CD2 3.38Å; Y363-Y366 PolarHBondContact O-N 2.68Å; G364-Y366 PolarHBondContact O-N 3.29Å; Y366-V371 WeakPolarHBondContact O-CG2 3.31Å; Y366-S401 VanDerWaalsContact CE1-O 3.27Å; Y366-S401 WeakPolarHBondContact CE1-O 3.23Å; Y366-S401 PolarHBondContact OH-O 2.63Å; Y366-M403 HydrophobicContact CD1-CB 4.32Å; Y366-M403 HydrophobicContact CD1-SD 3.96Å; Y366-M403 HydrophobicContact CG-SD 4.33Å; Y366-P404 VanDerWaalsContact CB-CD 3.47Å; Y366-P404 HydrophobicContact CD2-CG 3.97Å; Y366-P404 HydrophobicContact CG-CG 3.99Å
367F93.3Very high91.7Very high22 Ų2247.2 Ų47.210%0.09628%0.275CS..SBendtrans-125.915.2-177.8-64.5-75.3000112.2L26 Y29 E32 I33 R36 Y363 P404L26-F367 HydrophobicContact CD2-CE2 3.7Å; L26-F367 HydrophobicContact CD2-CZ 3.69Å; Y29-F367 HydrophobicContact CD1-CB 3.43Å; Y29-F367 VanDerWaalsContact CD1-CB 3.43Å; Y29-F367 AromaticContact CD1-CD2 3.38Å; Y29-F367 HydrophobicContact CD1-CD2 3.38Å; Y29-F367 HydrophobicContact CD1-CE2 4.29Å; Y29-F367 AromaticContact CD1-CG 3.56Å; Y29-F367 HydrophobicContact CD1-CG 3.56Å; Y29-F367 HydrophobicContact CD2-CD2 4.03Å; Y29-F367 HydrophobicContact CD2-CE2 4.21Å; Y29-F367 HydrophobicContact CE1-CB 4.02Å; Y29-F367 AromaticContact CE1-CD2 3.99Å; Y29-F367 HydrophobicContact CE1-CD2 3.99Å; Y29-F367 HydrophobicContact CE1-CG 4.37Å; Y29-F367 HydrophobicContact CG-CB 4.22Å; Y29-F367 AromaticContact CG-CD2 3.38Å; Y29-F367 HydrophobicContact CG-CD2 3.38Å; Y29-F367 AromaticContact CG-CE2 3.83Å; Y29-F367 HydrophobicContact CG-CE2 3.83Å; Y29-F367 AromaticContact CG-CG 3.82Å; Y29-F367 HydrophobicContact CG-CG 3.82Å; E32-F367 HydrophobicContact CB-CB 4.49Å; E32-F367 HydrophobicContact CB-CD1 4.12Å; E32-F367 HydrophobicContact CG-CB 4.03Å; E32-F367 HydrophobicContact CG-CD1 3.6Å; E32-F367 HydrophobicContact CG-CG 4.27Å; I33-F367 HydrophobicContact CD1-CE1 4.37Å; I33-F367 HydrophobicContact CD1-CZ 4.36Å; I33-F367 HydrophobicContact CG1-CE1 3.73Å; I33-F367 HydrophobicContact CG1-CZ 4.2Å; R36-F367 VanDerWaalsContact CZ-CD1 3.49Å; R36-F367 VanDerWaalsContact NH1-CD1 3.33Å; Y363-F367 HydrophobicContact CD1-CE2 4.29Å; Y363-F367 VanDerWaalsContact O-CD2 3.25Å; Y363-F367 WeakPolarHBondContact O-CD2 3.43Å; F367-P404 HydrophobicContact CE2-CB 4.35Å; F367-P404 HydrophobicContact CE2-CG 4.01Å; F367-P404 HydrophobicContact CZ-CB 4.31Å; F367-P404 HydrophobicContact CZ-CG 4.4Å
368G90Very high92.4Very high33 Ų3345 Ų4534%0.3426%0.261SS..SBendtrans-93-175.417600000114S370 V371G368-S370 PolarHBondContact O-N 3.31Å; G368-V371 PolarHBondContact O-N 3.01Å
369L90.2Very high93.1Very high174 Ų17437.4 Ų37.491%0.91122%0.22SC*.THydrogen-bonded Turntrans-72-9.1-178.7-63.2175.5000114.4H351 V371H351-L369 PolarHBondContact CD2-O 2.92Å; L369-V371 VanDerWaalsContact C-N 3.25Å
370S92.3Very high93.6Very high43 Ų4335 Ų3530%0.30121%0.21SC..THydrogen-bonded Turntrans-71.4-22.4174.848.90000112.6Y350 H351 G368Y350-S370 CarbonylContact C-O 3.44Å; Y350-S370 VanDerWaalsContact CA-O 3.3Å; Y350-S370 WeakPolarHBondContact CA-O 3.17Å; H351-S370 PolarHBondContact N-O 3.36Å; G368-S370 PolarHBondContact O-N 3.31Å
371V94.6Very high94.2Very high6 Ų630.7 Ų30.74%0.03618%0.179CC..BIsolated β-bridgetrans-77.6124.7-176.7-177.10000110.7L349 Y350 Y366 G368 L369 T373 M403L349-V371 CarbonylContact O-C 3.54Å; L349-V371 VanDerWaalsContact O-CA 3.32Å; L349-V371 WeakPolarHBondContact O-CA 3.27Å; L349-V371 WeakPolarHBondContact O-CG1 3.43Å; Y350-V371 HydrophobicContact CD1-CG2 4.04Å; Y350-V371 HydrophobicContact CE1-CG2 3.82Å; Y366-V371 WeakPolarHBondContact O-CG2 3.31Å; G368-V371 PolarHBondContact O-N 3.01Å; L369-V371 VanDerWaalsContact C-N 3.25Å; V371-T373 PolarHBondContact O-N 2.95Å; V371-T373 VanDerWaalsContact O-N 3.17Å; V371-M403 HydrophobicContact CG1-CE 4.18Å
372D95.6Very high94.8Very high13 Ų1329.1 Ų29.17%0.0716%0.164CC..  trans-75.8105.6172.9-165.4-27.1000109.7R302 M348 L349 H351 E374 S375 F376R302-D372 IonicContact NH2-OD2 2.72Å; M348-D372 WeakPolarHBondContact O-CB 3.41Å; L349-D372 PolarHBondContact O-N 2.9Å; H351-D372 IonicContact CE1-OD1 2.67Å; H351-D372 IonicContact CE1-OD2 3.81Å; H351-D372 PolarHBondContact CE1-OD2 3.09Å; H351-D372 IonicContact ND1-OD2 2.77Å; H351-D372 PolarHBondContact ND1-OD2 3.29Å; D372-E374 VanDerWaalsContact C-N 3.27Å; D372-E374 PolarHBondContact O-N 2.98Å; D372-E374 WeakPolarHBondContact OD1-CB 3.31Å; D372-E374 PolarHBondContact OD1-N 3.48Å; D372-S375 PolarHBondContact O-OG 3.4Å; D372-S375 VanDerWaalsContact O-OG 3.09Å; D372-S375 PolarHBondContact OD1-N 3.25Å; D372-F376 PolarHBondContact O-N 3.3Å
373T95.2Very high95.2Very high29 Ų2923.8 Ų23.818%0.17814%0.139CC..Hα-helixtrans-69.4-28.8179.8-60.10000112R35 C39 V371 T377R35-T373 PolarHBondContact NH2-OG1 2.93Å; C39-T373 HydrophobicContact CB-CG2 4.3Å; V371-T373 PolarHBondContact O-N 2.95Å; V371-T373 VanDerWaalsContact O-N 3.17Å; T373-T377 VanDerWaalsContact O-CB 3.32Å; T373-T377 WeakPolarHBondContact O-CB 3.4Å; T373-T377 PolarHBondContact O-N 3.38Å; T373-T377 PolarHBondContact O-OG1 3.03Å
374E95.8Very high95.5Very high57 Ų5724.9 Ų24.927%0.26615%0.145SC..Hα-helixtrans-70.6-46.6-174.5-58.4169-177.600109.5H298 R302 T316 D372 T377 Y378H298-E374 IonicContact CE1-OE2 3.18Å; H298-E374 PolarHBondContact CE1-OE2 3.09Å; H298-E374 IonicContact NE2-OE2 3.91Å; R302-E374 IonicContact CZ-OE1 3.75Å; R302-E374 IonicContact CZ-OE2 2.76Å; R302-E374 IonicContact NH1-OE1 3.89Å; R302-E374 PolarHBondContact NH1-OE1 2.97Å; R302-E374 IonicContact NH1-OE2 3.99Å; R302-E374 PolarHBondContact NH1-OE2 2.92Å; R302-E374 IonicContact NH2-OE1 3.95Å; R302-E374 PolarHBondContact NH2-OE1 2.81Å; R302-E374 IonicContact NH2-OE2 2.73Å; R302-E374 PolarHBondContact NH2-OE2 2.79Å; T316-E374 HydrophobicContact CG2-CB 4.28Å; T316-E374 HydrophobicContact CG2-CG 3.74Å; T316-E374 WeakPolarHBondContact CG2-OE1 3.39Å; T316-E374 WeakPolarHBondContact CG2-OE2 3.35Å; D372-E374 VanDerWaalsContact C-N 3.27Å; D372-E374 PolarHBondContact O-N 2.98Å; D372-E374 WeakPolarHBondContact OD1-CB 3.31Å; D372-E374 PolarHBondContact OD1-N 3.48Å; E374-T377 PolarHBondContact O-N 2.67Å; E374-Y378 PolarHBondContact O-N 3.17Å
375S97.1Very high95.9Very high0 Ų023.6 Ų23.60%013%0.131CC..Hα-helixtrans-65.7-41.9175720000112.1M348 D372 T377 Y378 L379M348-S375 VanDerWaalsContact C-OG 3.28Å; M348-S375 VanDerWaalsContact O-CB 3.28Å; M348-S375 WeakPolarHBondContact O-CB 3.32Å; M348-S375 PolarHBondContact O-OG 2.94Å; D372-S375 PolarHBondContact O-OG 3.4Å; D372-S375 VanDerWaalsContact O-OG 3.09Å; D372-S375 PolarHBondContact OD1-N 3.25Å; S375-T377 VanDerWaalsContact C-N 3.27Å; S375-T377 PolarHBondContact O-N 3.45Å; S375-Y378 WeakPolarHBondContact O-CB 3.5Å; S375-Y378 PolarHBondContact O-N 3Å; S375-Y378 VanDerWaalsContact O-N 3.17Å; S375-L379 WeakPolarHBondContact O-CG 3.32Å; S375-L379 PolarHBondContact O-N 3.38Å
376F97.5Very high96.2Very high1 Ų120.9 Ų20.90%0.00412%0.118CC..Hα-helixtrans-60.5-40.7175.8-165.2-89.7000111.2L349 D372 L379 M380 M403 L406L349-F376 HydrophobicContact CD2-CB 4.45Å; L349-F376 HydrophobicContact CD2-CD2 3.44Å; L349-F376 VanDerWaalsContact CD2-CD2 3.44Å; L349-F376 HydrophobicContact CD2-CE2 4.14Å; L349-F376 HydrophobicContact CD2-CG 4.42Å; D372-F376 PolarHBondContact O-N 3.3Å; F376-L379 PolarHBondContact O-N 3.48Å; F376-M380 HydrophobicContact CD1-CG 3.9Å; F376-M380 HydrophobicContact CD1-SD 3.54Å; F376-M380 VanDerWaalsContact CD1-SD 3.54Å; F376-M380 HydrophobicContact CE1-CG 3.78Å; F376-M380 HydrophobicContact CE1-SD 3.48Å; F376-M380 WeakPolarHBondContact CE1-SD 3.4Å; F376-M380 WeakPolarHBondContact O-CG 3.41Å; F376-M380 PolarHBondContact O-N 3.5Å; F376-M403 HydrophobicContact CD2-CE 3.8Å; F376-M403 HydrophobicContact CE2-CE 3.52Å; F376-M403 HydrophobicContact CE2-CG 4.38Å; F376-M403 HydrophobicContact CZ-CE 4.31Å; F376-L406 HydrophobicContact CE2-CD1 4.31Å
377T97.9Very high96.4Very high3 Ų323.4 Ų23.42%0.01813%0.13CC..Hα-helixtrans-63.2-43176.5-57.80000111.2C39 H43 T373 E374 S375 L379 M380 L381C39-T377 HydrophobicContact CB-CG2 4.24Å; C39-T377 WeakPolarHBondContact CB-OG1 3.46Å; H43-T377 HydrophobicContact CB-CG2 4.22Å; T373-T377 VanDerWaalsContact O-CB 3.32Å; T373-T377 WeakPolarHBondContact O-CB 3.4Å; T373-T377 PolarHBondContact O-N 3.38Å; T373-T377 PolarHBondContact O-OG1 3.03Å; E374-T377 PolarHBondContact O-N 2.67Å; S375-T377 VanDerWaalsContact C-N 3.27Å; S375-T377 PolarHBondContact O-N 3.45Å; T377-L379 PolarHBondContact O-N 3.46Å; T377-M380 PolarHBondContact O-N 3.48Å; T377-L381 HydrophobicContact CG2-CD1 4.19Å; T377-L381 VanDerWaalsContact O-CG 3.29Å; T377-L381 WeakPolarHBondContact O-CG 3.25Å; T377-L381 PolarHBondContact O-N 2.84Å
378Y98.6Very high96.6Very high1 Ų128.6 Ų28.60%0.00416%0.155CC..Hα-helixtrans-57.5-46.6172.6164.1-106.8000112.1H275 Y315 L321 L324 M325 M348 E374 S375 M380 L381 A382H275-Y378 HydrophobicContact CB-CE1 4.11Å; H275-Y378 PolarHBondContact CE1-OH 2.65Å; H275-Y378 AromaticContact ND1-CZ 3.8Å; H275-Y378 PolarHBondContact ND1-OH 3.04Å; Y315-Y378 AromaticContact CD1-CD1 3.88Å; Y315-Y378 HydrophobicContact CD1-CD1 3.88Å; Y315-Y378 HydrophobicContact CD1-CD2 4.5Å; Y315-Y378 AromaticContact CD1-CG 3.79Å; Y315-Y378 HydrophobicContact CD1-CG 3.79Å; Y315-Y378 AromaticContact CE1-CD1 3.83Å; Y315-Y378 HydrophobicContact CE1-CD1 3.83Å; Y315-Y378 HydrophobicContact CE1-CE1 4.36Å; Y315-Y378 HydrophobicContact CE1-CG 4.22Å; L321-Y378 HydrophobicContact CD2-CD2 3.65Å; L321-Y378 HydrophobicContact CD2-CG 4.18Å; L324-Y378 HydrophobicContact CB-CE2 3.68Å; L324-Y378 HydrophobicContact CD1-CD2 4.43Å; L324-Y378 HydrophobicContact CD1-CE1 4.42Å; L324-Y378 HydrophobicContact CD1-CE2 4.07Å; M325-Y378 HydrophobicContact CG-CE2 4.12Å; M348-Y378 HydrophobicContact CE-CD1 3.65Å; M348-Y378 HydrophobicContact CE-CE1 3.86Å; E374-Y378 PolarHBondContact O-N 3.17Å; S375-Y378 WeakPolarHBondContact O-CB 3.5Å; S375-Y378 PolarHBondContact O-N 3Å; S375-Y378 VanDerWaalsContact O-N 3.17Å; Y378-M380 VanDerWaalsContact C-N 3.32Å; Y378-M380 PolarHBondContact O-N 2.78Å; Y378-L381 WeakPolarHBondContact O-CB 3.47Å; Y378-L381 PolarHBondContact O-N 2.92Å; Y378-A382 HydrophobicContact CE2-CB 4.25Å; Y378-A382 WeakPolarHBondContact O-CB 3.17Å; Y378-A382 PolarHBondContact O-N 3.15Å
379L98.7Very high96.9Very high0 Ų030.1 Ų30.10%015%0.152CC..Hα-helixtrans-61.3-39.6178.5-66.4173.4000112.1F342 V345 M348 L349 S375 F376 T377 N383 F417F342-L379 HydrophobicContact CD1-CD2 4.29Å; V345-L379 HydrophobicContact CG1-CD1 3.88Å; M348-L379 HydrophobicContact CE-CD1 4.35Å; M348-L379 HydrophobicContact CE-CD2 3.64Å; M348-L379 HydrophobicContact CE-CG 3.97Å; M348-L379 HydrophobicContact SD-CD2 4.3Å; L349-L379 HydrophobicContact CD2-CD1 4Å; S375-L379 WeakPolarHBondContact O-CG 3.32Å; S375-L379 PolarHBondContact O-N 3.38Å; F376-L379 PolarHBondContact O-N 3.48Å; T377-L379 PolarHBondContact O-N 3.46Å; L379-N383 WeakPolarHBondContact O-CB 3.33Å; L379-N383 PolarHBondContact O-N 3.16Å; L379-N383 PolarHBondContact O-ND2 2.75Å; L379-F417 HydrophobicContact CB-CE2 4.2Å; L379-F417 HydrophobicContact CD1-CE2 4.23Å; L379-F417 HydrophobicContact CD2-CE2 3.94Å; L379-F417 HydrophobicContact CD2-CZ 3.82Å; L379-F417 HydrophobicContact CG-CE2 4.34Å
380M98.6Very high97.3Very high0 Ų022.8 Ų22.80%011%0.112CC..Hα-helixtrans-63.6-45.2173.6-67.2174.175.800111.8Y37 F40 F376 T377 Y378 H384 V410Y37-M380 HydrophobicContact CD2-CE 3.84Å; F40-M380 HydrophobicContact CB-CB 4.42Å; F40-M380 HydrophobicContact CB-CE 3.63Å; F40-M380 HydrophobicContact CB-SD 3.98Å; F40-M380 HydrophobicContact CD1-CE 4.3Å; F40-M380 HydrophobicContact CD2-CB 3.82Å; F40-M380 HydrophobicContact CD2-CE 4.46Å; F40-M380 HydrophobicContact CG-CB 4.34Å; F40-M380 HydrophobicContact CG-CE 3.89Å; F376-M380 HydrophobicContact CD1-CG 3.9Å; F376-M380 HydrophobicContact CD1-SD 3.54Å; F376-M380 VanDerWaalsContact CD1-SD 3.54Å; F376-M380 HydrophobicContact CE1-CG 3.78Å; F376-M380 HydrophobicContact CE1-SD 3.48Å; F376-M380 WeakPolarHBondContact CE1-SD 3.4Å; F376-M380 WeakPolarHBondContact O-CG 3.41Å; F376-M380 PolarHBondContact O-N 3.5Å; T377-M380 PolarHBondContact O-N 3.48Å; Y378-M380 VanDerWaalsContact C-N 3.32Å; Y378-M380 PolarHBondContact O-N 2.78Å; M380-H384 WeakPolarHBondContact O-CB 3.36Å; M380-H384 PolarHBondContact O-N 2.78Å; M380-V410 HydrophobicContact CB-CG1 4.43Å; M380-V410 HydrophobicContact CB-CG2 4.45Å; M380-V410 HydrophobicContact CE-CG1 3.87Å
381L98.6Very high97.4Very high0 Ų025.8 Ų25.80%013%0.131CC..Hα-helixtrans-61.3-46.3177.9-70.2165.9000111.4F40 H43 M44 I47 L321 M325 T377 Y378 F385F40-L381 HydrophobicContact CD2-CD2 3.81Å; F40-L381 HydrophobicContact CD2-CG 4.14Å; F40-L381 HydrophobicContact CE2-CD2 3.91Å; H43-L381 HydrophobicContact CB-CD1 3.76Å; H43-L381 HydrophobicContact CB-CD2 4.19Å; H43-L381 HydrophobicContact CB-CG 4.48Å; M44-L381 HydrophobicContact CG-CD2 3.61Å; M44-L381 HydrophobicContact SD-CD2 3.56Å; M44-L381 VanDerWaalsContact SD-CD2 3.56Å; I47-L381 HydrophobicContact CD1-CD1 4.48Å; I47-L381 HydrophobicContact CD1-CD2 4.18Å; L321-L381 HydrophobicContact CD1-CD1 4.35Å; M325-L381 HydrophobicContact CE-CB 4.22Å; M325-L381 HydrophobicContact SD-CB 4.22Å; T377-L381 HydrophobicContact CG2-CD1 4.19Å; T377-L381 VanDerWaalsContact O-CG 3.29Å; T377-L381 WeakPolarHBondContact O-CG 3.25Å; T377-L381 PolarHBondContact O-N 2.84Å; Y378-L381 WeakPolarHBondContact O-CB 3.47Å; Y378-L381 PolarHBondContact O-N 2.92Å; L381-F385 WeakPolarHBondContact O-CB 3.48Å; L381-F385 PolarHBondContact O-N 3.15Å
382A98.7Very high97.5Very high0 Ų027.8 Ų27.80%014%0.139CC..Hα-helixtrans-60.6-5317900000111.4L328 Y378 F385 L386L328-A382 HydrophobicContact CD1-CB 3.78Å; Y378-A382 HydrophobicContact CE2-CB 4.25Å; Y378-A382 WeakPolarHBondContact O-CB 3.17Å; Y378-A382 PolarHBondContact O-N 3.15Å; A382-F385 PolarHBondContact O-N 3.25Å; A382-L386 WeakPolarHBondContact O-CB 3.3Å; A382-L386 VanDerWaalsContact O-CG 3.23Å; A382-L386 WeakPolarHBondContact O-CG 3.09Å; A382-L386 PolarHBondContact O-N 2.83Å
383N98.8Very high97.6Very high0 Ų027.1 Ų27.10%014%0.136CC..Hα-helixtrans-65.4-40.4179.5-78.3-65.9000112.3L379 F385 L386 H387 T395 V410 G415 G416 F417L379-N383 WeakPolarHBondContact O-CB 3.33Å; L379-N383 PolarHBondContact O-N 3.16Å; L379-N383 PolarHBondContact O-ND2 2.75Å; N383-F385 PolarHBondContact O-N 3.42Å; N383-L386 PolarHBondContact O-N 3.36Å; N383-H387 WeakPolarHBondContact O-CB 3.49Å; N383-H387 PolarHBondContact O-CD2 3.06Å; N383-H387 PolarHBondContact O-N 2.68Å; N383-T395 VanDerWaalsContact OD1-CB 3.29Å; N383-T395 WeakPolarHBondContact OD1-CB 3.4Å; N383-T395 WeakPolarHBondContact OD1-CG2 3.5Å; N383-T395 PolarHBondContact OD1-OG1 3.29Å; N383-V410 HydrophobicContact CB-CG2 4.47Å; N383-G415 WeakPolarHBondContact CB-O 3.35Å; N383-G415 PolarHBondContact ND2-O 3.19Å; N383-G416 VanDerWaalsContact CG-C 3.47Å; N383-G416 PolarHBondContact OD1-O 3.28Å; N383-F417 WeakPolarHBondContact ND2-CD2 3.32Å; N383-F417 WeakPolarHBondContact ND2-CE2 3.25Å
384H98.3Very high97.8Very high51 Ų5125.9 Ų25.924%0.23613%0.128CC..Hα-helixtrans-57.8-51.4176.6174.953.6000111.5F40 M380 E388 V410F40-H384 HydrophobicContact CE2-CB 3.85Å; F40-H384 AromaticContact CE2-CD2 3.83Å; F40-H384 AromaticContact CE2-CG 3.96Å; F40-H384 HydrophobicContact CZ-CB 4.04Å; F40-H384 AromaticContact CZ-CD2 3.53Å; F40-H384 AromaticContact CZ-CG 3.69Å; M380-H384 WeakPolarHBondContact O-CB 3.36Å; M380-H384 PolarHBondContact O-N 2.78Å; H384-E388 IonicContact CE1-OE2 2.62Å; H384-E388 PolarHBondContact CE1-OE2 2.87Å; H384-E388 IonicContact ND1-OE2 2.98Å; H384-E388 IonicContact NE2-OE2 3.62Å; H384-E388 PolarHBondContact NE2-OE2 2.81Å; H384-E388 VanDerWaalsContact O-CB 3.24Å; H384-E388 WeakPolarHBondContact O-CB 3.47Å; H384-E388 PolarHBondContact O-N 3.32Å; H384-V410 HydrophobicContact CB-CG1 4.48Å; H384-V410 HydrophobicContact CB-CG2 4.27Å
385F98Very high97.9Very high3 Ų323.1 Ų23.11%0.01312%0.115CC..Hα-helixtrans-57.2-51.4175.7156.2-111.8000112.2L53 T57 M325 R329 L381 A382 N383 H387 E388 K389 Y390L53-F385 HydrophobicContact CD1-CB 4.26Å; L53-F385 HydrophobicContact CD2-CB 4.01Å; L53-F385 HydrophobicContact CD2-CD2 4.26Å; L53-F385 HydrophobicContact CG-CB 4.4Å; L53-F385 HydrophobicContact CG-CD2 4.22Å; T57-F385 HydrophobicContact CG2-CD1 3.97Å; T57-F385 HydrophobicContact CG2-CD2 3.52Å; T57-F385 HydrophobicContact CG2-CE1 3.93Å; T57-F385 HydrophobicContact CG2-CE2 3.46Å; T57-F385 VanDerWaalsContact CG2-CE2 3.46Å; T57-F385 HydrophobicContact CG2-CG 3.77Å; T57-F385 HydrophobicContact CG2-CZ 3.69Å; T57-F385 WeakPolarHBondContact OG1-CE2 3.32Å; M325-F385 HydrophobicContact CE-CB 3.81Å; M325-F385 HydrophobicContact CE-CD1 4.4Å; M325-F385 HydrophobicContact CE-CG 4.19Å; R329-F385 HydrophobicContact CB-CE1 4.28Å; R329-F385 HydrophobicContact CB-CZ 3.92Å; R329-F385 HydrophobicContact CG-CZ 4.14Å; L381-F385 WeakPolarHBondContact O-CB 3.48Å; L381-F385 PolarHBondContact O-N 3.15Å; A382-F385 PolarHBondContact O-N 3.25Å; N383-F385 PolarHBondContact O-N 3.42Å; F385-H387 PolarHBondContact O-N 3.43Å; F385-E388 PolarHBondContact O-N 2.88Å; F385-K389 HydrophobicContact CD2-CB 4.43Å; F385-K389 HydrophobicContact CD2-CD 4.4Å; F385-K389 HydrophobicContact CE2-CB 4.2Å; F385-K389 HydrophobicContact CE2-CD 3.5Å; F385-K389 VanDerWaalsContact CE2-CD 3.5Å; F385-K389 HydrophobicContact CE2-CG 4.49Å; F385-K389 HydrophobicContact CZ-CD 4.08Å; F385-K389 WeakPolarHBondContact O-CB 3.4Å; F385-K389 PolarHBondContact O-N 2.77Å; F385-Y390 HydrophobicContact CE1-CE2 4.42Å; F385-Y390 HydrophobicContact CE2-CE2 4.4Å; F385-Y390 AromaticContact CZ-CE2 3.85Å; F385-Y390 HydrophobicContact CZ-CE2 3.85Å
386L98.6Very high98Very high0 Ų023.1 Ų23.10%012%0.115CC..Hα-helixtrans-59.7-50.1-175.6-77.2176.8000111.2L328 I332 F340 F342 A382 N383 K389 Y390 I393 T395L328-L386 HydrophobicContact CB-CD2 4.24Å; L328-L386 HydrophobicContact CD1-CD1 4.09Å; L328-L386 HydrophobicContact CD1-CG 4.49Å; I332-L386 HydrophobicContact CD1-CD2 3.55Å; F340-L386 HydrophobicContact CD2-CD1 3.88Å; F340-L386 HydrophobicContact CE2-CD1 4.11Å; F340-L386 HydrophobicContact CE2-CD2 3.94Å; F342-L386 HydrophobicContact CZ-CD1 4.42Å; A382-L386 WeakPolarHBondContact O-CB 3.3Å; A382-L386 VanDerWaalsContact O-CG 3.23Å; A382-L386 WeakPolarHBondContact O-CG 3.09Å; A382-L386 PolarHBondContact O-N 2.83Å; N383-L386 PolarHBondContact O-N 3.36Å; L386-K389 PolarHBondContact O-N 3.05Å; L386-Y390 HydrophobicContact CD2-CD2 4.2Å; L386-Y390 WeakPolarHBondContact O-CA 3.43Å; L386-Y390 WeakPolarHBondContact O-CB 3.4Å; L386-Y390 PolarHBondContact O-N 2.73Å; L386-I393 HydrophobicContact CB-CG1 4.36Å; L386-I393 HydrophobicContact CB-CG2 4.07Å; L386-I393 HydrophobicContact CD2-CD1 4.4Å; L386-I393 HydrophobicContact CD2-CG1 4.3Å; L386-T395 HydrophobicContact CD1-CG2 3.74Å
387H98Very high98.1Very high56 Ų5623.1 Ų23.126%0.25912%0.115SC..Hα-helixtrans-73.5-29.3-177.3-69.8-59.3000113.7N383 F385 I393 T395 G416 D418N383-H387 WeakPolarHBondContact O-CB 3.49Å; N383-H387 PolarHBondContact O-CD2 3.06Å; N383-H387 PolarHBondContact O-N 2.68Å; F385-H387 PolarHBondContact O-N 3.43Å; H387-I393 VanDerWaalsContact ND1-CG2 3.31Å; H387-I393 WeakPolarHBondContact ND1-CG2 3.21Å; H387-T395 PolarHBondContact NE2-OG1 2.78Å; H387-G416 PolarHBondContact CD2-O 3.23Å; H387-G416 PolarHBondContact NE2-O 3.35Å; H387-D418 IonicContact CE1-OD1 2.84Å; H387-D418 IonicContact CE1-OD2 3.67Å; H387-D418 PolarHBondContact CE1-OD2 2.97Å; H387-D418 IonicContact NE2-OD2 2.74Å
388E96.8Very high98Very high131 Ų13124.2 Ų24.261%0.61212%0.12SC*.Hα-helixtrans-69.5-41.2174.4-174.8173156.100111.3H384 F385H384-E388 IonicContact CE1-OE2 2.62Å; H384-E388 PolarHBondContact CE1-OE2 2.87Å; H384-E388 IonicContact ND1-OE2 2.98Å; H384-E388 IonicContact NE2-OE2 3.62Å; H384-E388 PolarHBondContact NE2-OE2 2.81Å; H384-E388 VanDerWaalsContact O-CB 3.24Å; H384-E388 WeakPolarHBondContact O-CB 3.47Å; H384-E388 PolarHBondContact O-N 3.32Å; F385-E388 PolarHBondContact O-N 2.88Å
389K97.3Very high97.8Very high65 Ų6524.2 Ų24.228%0.28312%0.12SC..Hα-helixtrans-87.5-36-174.4-170.5173178.978.10113.9E54 R329 F385 L386E54-K389 IonicContact OE1-NZ 2.95Å; E54-K389 PolarHBondContact OE1-NZ 2.86Å; E54-K389 IonicContact OE2-NZ 2.85Å; E54-K389 PolarHBondContact OE2-NZ 3.39Å; R329-K389 VanDerWaalsContact NH2-CE 3.26Å; F385-K389 HydrophobicContact CD2-CB 4.43Å; F385-K389 HydrophobicContact CD2-CD 4.4Å; F385-K389 HydrophobicContact CE2-CB 4.2Å; F385-K389 HydrophobicContact CE2-CD 3.5Å; F385-K389 VanDerWaalsContact CE2-CD 3.5Å; F385-K389 HydrophobicContact CE2-CG 4.49Å; F385-K389 HydrophobicContact CZ-CD 4.08Å; F385-K389 WeakPolarHBondContact O-CB 3.4Å; F385-K389 PolarHBondContact O-N 2.77Å; L386-K389 PolarHBondContact O-N 3.05Å
390Y97.5Very high97.3Very high19 Ų1927.2 Ų27.28%0.07514%0.138CC..  trans-125.987.9-171.9-53.6-71.7000110.4R329 I332 E333 F385 L386 F392 I393R329-Y390 WeakPolarHBondContact CG-OH 3.37Å; I332-Y390 HydrophobicContact CD1-CD2 3.58Å; I332-Y390 HydrophobicContact CD1-CE2 3.52Å; I332-Y390 HydrophobicContact CD1-CG 4.21Å; I332-Y390 HydrophobicContact CG2-CD1 3.94Å; I332-Y390 HydrophobicContact CG2-CE1 3.69Å; I332-Y390 HydrophobicContact CG2-CE2 4.36Å; I332-Y390 HydrophobicContact CG2-CG 4.38Å; E333-Y390 PolarHBondContact OE1-OH 3.24Å; E333-Y390 VanDerWaalsContact OE1-OH 3.11Å; F385-Y390 HydrophobicContact CE1-CE2 4.42Å; F385-Y390 HydrophobicContact CE2-CE2 4.4Å; F385-Y390 AromaticContact CZ-CE2 3.85Å; F385-Y390 HydrophobicContact CZ-CE2 3.85Å; L386-Y390 HydrophobicContact CD2-CD2 4.2Å; L386-Y390 WeakPolarHBondContact O-CA 3.43Å; L386-Y390 WeakPolarHBondContact O-CB 3.4Å; L386-Y390 PolarHBondContact O-N 2.73Å; Y390-F392 HydrophobicContact CD1-CE1 4.17Å; Y390-F392 AromaticContact CD1-CZ 3.86Å; Y390-F392 HydrophobicContact CD1-CZ 3.86Å; Y390-F392 HydrophobicContact CG-CZ 4.27Å; Y390-F392 PolarHBondContact O-N 2.78Å; Y390-I393 VanDerWaalsContact O-CB 3.29Å; Y390-I393 WeakPolarHBondContact O-CB 3.31Å; Y390-I393 WeakPolarHBondContact O-CG2 3.17Å; Y390-I393 PolarHBondContact O-N 2.85Å
391P95.4Very high96.9Very high107 Ų10727.6 Ų27.670%0.69514%0.141SC*.THydrogen-bonded Turntrans-60.6-20.2-177.1-2735.7000115.2
392F96.4Very high96.6Very high47 Ų4728.6 Ų28.621%0.20615%0.151CC..THydrogen-bonded Turntrans-82.4-14.1176.958.1-100.5000113.4H176 I332 Y390H176-F392 HydrophobicContact CB-CD1 4.2Å; H176-F392 HydrophobicContact CB-CD2 4.21Å; H176-F392 HydrophobicContact CB-CE1 4.2Å; H176-F392 HydrophobicContact CB-CE2 4.23Å; H176-F392 HydrophobicContact CB-CG 4.2Å; H176-F392 HydrophobicContact CB-CZ 4.22Å; H176-F392 AromaticContact CD2-CE1 3.77Å; H176-F392 AromaticContact CD2-CZ 3.51Å; H176-F392 AromaticContact CE1-CE2 3.71Å; H176-F392 AromaticContact CE1-CZ 3.58Å; H176-F392 AromaticContact CG-CE1 3.89Å; H176-F392 AromaticContact CG-CE2 3.72Å; H176-F392 AromaticContact CG-CZ 3.54Å; H176-F392 AromaticContact ND1-CE2 3.44Å; H176-F392 WeakPolarHBondContact ND1-CE2 3.49Å; H176-F392 AromaticContact ND1-CZ 3.59Å; H176-F392 AromaticContact NE2-CZ 3.54Å; I332-F392 HydrophobicContact CG2-CZ 4.28Å; Y390-F392 HydrophobicContact CD1-CE1 4.17Å; Y390-F392 AromaticContact CD1-CZ 3.86Å; Y390-F392 HydrophobicContact CD1-CZ 3.86Å; Y390-F392 HydrophobicContact CG-CZ 4.27Å; Y390-F392 PolarHBondContact O-N 2.78Å
393I98.3Very high96.4Very high0 Ų028.6 Ų28.60%015%0.151CC..  trans-61.9143.2-170.2-156.678.8000111.5R179 I332 D338 F340 L386 H387 Y390R179-I393 PolarHBondContact NH1-O 3.4Å; I332-I393 HydrophobicContact CD1-CD1 3.64Å; I332-I393 HydrophobicContact CG1-CD1 4.04Å; D338-I393 WeakPolarHBondContact O-CA 3.24Å; F340-I393 HydrophobicContact CD2-CD1 4.42Å; F340-I393 HydrophobicContact CE2-CD1 4.1Å; L386-I393 HydrophobicContact CB-CG1 4.36Å; L386-I393 HydrophobicContact CB-CG2 4.07Å; L386-I393 HydrophobicContact CD2-CD1 4.4Å; L386-I393 HydrophobicContact CD2-CG1 4.3Å; H387-I393 VanDerWaalsContact ND1-CG2 3.31Å; H387-I393 WeakPolarHBondContact ND1-CG2 3.21Å; Y390-I393 VanDerWaalsContact O-CB 3.29Å; Y390-I393 WeakPolarHBondContact O-CB 3.31Å; Y390-I393 WeakPolarHBondContact O-CG2 3.17Å; Y390-I393 PolarHBondContact O-N 2.85Å
394I98.7Very high96.3Very high2 Ų228.6 Ų28.61%0.0115%0.151CC..EExtended strand (participates in β ladder)trans-119.6127.7173.1-56.3178000109.6R179 P180 L183 V268 L270 D338 G339 F340 I396 D418 Y419R179-I394 HydrophobicContact CG-CD1 4.21Å; R179-I394 HydrophobicContact CG-CG1 4.22Å; P180-I394 HydrophobicContact CG-CD1 4.42Å; L183-I394 HydrophobicContact CD1-CD1 3.84Å; L183-I394 HydrophobicContact CD2-CD1 4.44Å; L183-I394 HydrophobicContact CD2-CG2 4.01Å; V268-I394 HydrophobicContact CG1-CD1 4.14Å; L270-I394 HydrophobicContact CD2-CB 4.08Å; D338-I394 PolarHBondContact O-N 2.96Å; D338-I394 VanDerWaalsContact O-N 3.11Å; G339-I394 CarbonylContact C-O 3.54Å; G339-I394 WeakPolarHBondContact CA-O 3.5Å; F340-I394 PolarHBondContact N-O 3.46Å; I394-I396 HydrophobicContact CG2-CG1 4.19Å; I394-D418 VanDerWaalsContact CA-OD2 3.25Å; I394-D418 WeakPolarHBondContact CA-OD2 3.3Å; I394-Y419 HydrophobicContact CG2-CD2 4.12Å; I394-Y419 HydrophobicContact CG2-CE2 4.08Å
395T98.8Very high96.2Very high0 Ų026.2 Ų26.20%014%0.14CC..EExtended strand (participates in β ladder)trans-119.2127175.460.90000111.6F340 F342 N383 L386 H387 F417 D418 Y419F340-T395 CarbonylContact O-C 3.47Å; F340-T395 WeakPolarHBondContact O-CA 3.14Å; F342-T395 HydrophobicContact CE2-CG2 4.24Å; N383-T395 VanDerWaalsContact OD1-CB 3.29Å; N383-T395 WeakPolarHBondContact OD1-CB 3.4Å; N383-T395 WeakPolarHBondContact OD1-CG2 3.5Å; N383-T395 PolarHBondContact OD1-OG1 3.29Å; L386-T395 HydrophobicContact CD1-CG2 3.74Å; H387-T395 PolarHBondContact NE2-OG1 2.78Å; T395-F417 WeakPolarHBondContact OG1-CA 3.47Å; T395-D418 PolarHBondContact N-OD2 2.67Å; T395-D418 WeakPolarHBondContact O-CB 3.19Å; T395-D418 PolarHBondContact O-N 2.89Å; T395-D418 PolarHBondContact OG1-N 3.29Å; T395-Y419 PolarHBondContact O-N 3.23Å; T395-Y419 VanDerWaalsContact O-N 3.09Å
396I98.8Very high96.2Very high0 Ų026.1 Ų26.10%014%0.14CC..EExtended strand (participates in β ladder)trans-120.4127.2-178.6-51.9175.4000108.1L183 I185 L270 F340 R341 F342 I394 Y419 L421 I460L183-I396 HydrophobicContact CD2-CD1 4.06Å; I185-I396 HydrophobicContact CD1-CD1 3.54Å; L270-I396 HydrophobicContact CD1-CD1 3.71Å; F340-I396 PolarHBondContact O-N 2.77Å; R341-I396 CarbonylContact C-O 3.57Å; R341-I396 WeakPolarHBondContact CA-O 3.32Å; R341-I396 HydrophobicContact CB-CB 4.27Å; R341-I396 HydrophobicContact CG-CB 4.42Å; R341-I396 HydrophobicContact CG-CG2 4.4Å; F342-I396 PolarHBondContact N-O 2.93Å; I394-I396 HydrophobicContact CG2-CG1 4.19Å; I396-Y419 CarbonylContact C-O 3.53Å; I396-Y419 WeakPolarHBondContact CA-O 3.47Å; I396-Y419 HydrophobicContact CG1-CD2 4.36Å; I396-L421 HydrophobicContact CG2-CD2 3.76Å; I396-L421 HydrophobicContact CG2-CG 4.26Å; I396-I460 HydrophobicContact CD1-CG1 4.23Å; I396-I460 HydrophobicContact CG2-CG1 4.04Å
397A98.6Very high96.2Very high0 Ų026.4 Ų26.40%014%0.142CC..EExtended strand (participates in β ladder)trans-93128.1173.900000111.2V345 E399 L406 F417 Y419 R420 L421V345-A397 HydrophobicContact CB-CB 4.22Å; V345-A397 HydrophobicContact CG1-CB 4.16Å; V345-A397 HydrophobicContact CG2-CB 4.04Å; A397-E399 VanDerWaalsContact C-N 3.26Å; A397-E399 HydrophobicContact CB-CB 3.96Å; A397-E399 PolarHBondContact O-N 3.34Å; A397-L406 HydrophobicContact CB-CD2 3.92Å; A397-F417 HydrophobicContact CB-CB 4.48Å; A397-F417 HydrophobicContact CB-CD1 3.78Å; A397-F417 HydrophobicContact CB-CD2 4.01Å; A397-F417 HydrophobicContact CB-CE1 3.86Å; A397-F417 HydrophobicContact CB-CE2 4.09Å; A397-F417 HydrophobicContact CB-CG 3.84Å; A397-F417 HydrophobicContact CB-CZ 4.01Å; A397-Y419 PolarHBondContact N-O 3.34Å; A397-R420 HydrophobicContact CB-CB 4.37Å; A397-R420 CarbonylContact O-C 3.5Å; A397-R420 VanDerWaalsContact O-CA 3.24Å; A397-R420 WeakPolarHBondContact O-CA 3.22Å; A397-L421 PolarHBondContact O-N 3.32Å
398E97.1Very high96.2Very high26 Ų2626 Ų2612%0.12114%0.138CC..  trans-75.385.3158.1-172.1-156-134.800109.2R341 F342 G344 V345 M346 L421 M423R341-E398 IonicContact CZ-OE1 2.71Å; R341-E398 VanDerWaalsContact NH2-CG 3.26Å; R341-E398 IonicContact NH2-OE1 3.51Å; R341-E398 PolarHBondContact NH2-OE1 3.19Å; R341-E398 IonicContact NH2-OE2 3.51Å; F342-E398 VanDerWaalsContact O-CB 3.3Å; F342-E398 WeakPolarHBondContact O-CB 3.27Å; F342-E398 PolarHBondContact O-N 2.94Å; G344-E398 VanDerWaalsContact CA-OE2 3.22Å; G344-E398 WeakPolarHBondContact CA-OE2 3.5Å; G344-E398 PolarHBondContact N-OE2 2.82Å; V345-E398 WeakPolarHBondContact CB-O 3.46Å; V345-E398 PolarHBondContact N-O 2.87Å; V345-E398 VanDerWaalsContact N-O 3.12Å; M346-E398 PolarHBondContact N-O 2.82Å; E398-L421 HydrophobicContact CB-CD1 4.27Å; E398-L421 HydrophobicContact CG-CD1 4.13Å; E398-M423 HydrophobicContact CG-SD 4.16Å
399E94.4Very high96.2Very high1 Ų122.4 Ų22.41%0.00513%0.126CC..  trans-141.4123.4-174.7-159.8-73.7125.400111.2V345 L349 A397 S401 G402 M403 L406 R420V345-E399 HydrophobicContact CB-CB 4.11Å; V345-E399 HydrophobicContact CB-CG 4.4Å; V345-E399 HydrophobicContact CG1-CB 4Å; V345-E399 HydrophobicContact CG1-CG 3.92Å; L349-E399 HydrophobicContact CD1-CG 3.48Å; L349-E399 VanDerWaalsContact CD1-CG 3.48Å; A397-E399 VanDerWaalsContact C-N 3.26Å; A397-E399 HydrophobicContact CB-CB 3.96Å; A397-E399 PolarHBondContact O-N 3.34Å; E399-S401 WeakPolarHBondContact OE1-CA 3.36Å; E399-S401 WeakPolarHBondContact OE1-CB 3.26Å; E399-S401 PolarHBondContact OE1-N 3.39Å; E399-S401 PolarHBondContact OE1-OG 2.78Å; E399-G402 PolarHBondContact OE1-N 2.86Å; E399-G402 PolarHBondContact OE2-N 3.28Å; E399-M403 PolarHBondContact OE2-N 3.07Å; E399-L406 HydrophobicContact CB-CD2 3.57Å; E399-L406 HydrophobicContact CG-CD2 3.46Å; E399-L406 VanDerWaalsContact CG-CD2 3.46Å; E399-R420 IonicContact OE2-CZ 3.82Å; E399-R420 IonicContact OE2-NH1 3.2Å; E399-R420 PolarHBondContact OE2-NH1 3.33Å
400V87.6Confident96.3Very high64 Ų6419.9 Ų19.939%0.38812%0.116SC..  trans-118.8-13.8-169.3-550000115.2M346 G402 M423M346-V400 HydrophobicContact CB-CG2 4.49Å; M346-V400 HydrophobicContact CE-CG2 3.84Å; M346-V400 HydrophobicContact CG-CG2 4.39Å; M346-V400 HydrophobicContact SD-CG2 3.27Å; M346-V400 WeakPolarHBondContact SD-CG2 3.49Å; V400-G402 PolarHBondContact O-N 3.34Å; V400-M423 HydrophobicContact CB-CB 4.37Å; V400-M423 HydrophobicContact CG1-CB 3.44Å; V400-M423 VanDerWaalsContact CG1-CB 3.44Å; V400-M423 HydrophobicContact CG1-CE 4.11Å; V400-M423 HydrophobicContact CG1-CG 3.54Å; V400-M423 HydrophobicContact CG1-SD 3.06Å; V400-M423 WeakPolarHBondContact CG1-SD 3.2Å
401S91.2Very high96.3Very high8 Ų820.9 Ų20.96%0.05613%0.126CC..SBendtrans-65.6-23.4179.775.20000111.4Y350 F359 Y366 E399 M403Y350-S401 WeakPolarHBondContact CE2-OG 3.48Å; Y350-S401 WeakPolarHBondContact OH-CB 3.42Å; Y350-S401 PolarHBondContact OH-OG 3.2Å; F359-S401 VanDerWaalsContact CD2-CB 3.44Å; Y366-S401 VanDerWaalsContact CE1-O 3.27Å; Y366-S401 WeakPolarHBondContact CE1-O 3.23Å; Y366-S401 PolarHBondContact OH-O 2.63Å; E399-S401 WeakPolarHBondContact OE1-CA 3.36Å; E399-S401 WeakPolarHBondContact OE1-CB 3.26Å; E399-S401 PolarHBondContact OE1-N 3.39Å; E399-S401 PolarHBondContact OE1-OG 2.78Å; S401-M403 PolarHBondContact OG-N 3.07Å
402G91.9Very high96.4Very high21 Ų2116.3 Ų16.322%0.21610%0.095CC..  trans8234.1-174.400000111.9E399 V400 P404 R454E399-G402 PolarHBondContact OE1-N 2.86Å; E399-G402 PolarHBondContact OE2-N 3.28Å; V400-G402 PolarHBondContact O-N 3.34Å; G402-P404 VanDerWaalsContact O-CD 3.32Å; G402-P404 WeakPolarHBondContact O-CD 3.45Å; G402-P404 VanDerWaalsContact O-N 3.1Å; G402-R454 PolarHBondContact O-NE 3.23Å; G402-R454 PolarHBondContact O-NH2 2.98Å; G402-R454 VanDerWaalsContact O-NH2 3.13Å
403M95.1Very high96.4Very high0 Ų014.2 Ų14.20%09%0.086CC..  trans-49.2113.7176.7178.967168.500110.1L349 Y366 V371 F376 E399 S401 L406 R420L349-M403 HydrophobicContact CD1-CB 3.92Å; L349-M403 HydrophobicContact CD1-CG 4.02Å; Y366-M403 HydrophobicContact CD1-CB 4.32Å; Y366-M403 HydrophobicContact CD1-SD 3.96Å; Y366-M403 HydrophobicContact CG-SD 4.33Å; V371-M403 HydrophobicContact CG1-CE 4.18Å; F376-M403 HydrophobicContact CD2-CE 3.8Å; F376-M403 HydrophobicContact CE2-CE 3.52Å; F376-M403 HydrophobicContact CE2-CG 4.38Å; F376-M403 HydrophobicContact CZ-CE 4.31Å; E399-M403 PolarHBondContact OE2-N 3.07Å; S401-M403 PolarHBondContact OG-N 3.07Å; M403-L406 HydrophobicContact CB-CB 4.3Å; M403-L406 HydrophobicContact CG-CB 4.27Å; M403-R420 PolarHBondContact O-NH1 3.26Å; M403-R420 PolarHBondContact O-NH2 3.1Å
404P95.8Very high96.4Very high0 Ų014.2 Ų14.20%09%0.086CC..THydrogen-bonded Turntrans-56.9147.6177.3-17.725.5000110.7L26 Y363 Y366 F367 G402 L406L26-P404 HydrophobicContact CD2-CB 3.92Å; Y363-P404 HydrophobicContact CD1-CB 4.25Å; Y363-P404 HydrophobicContact CD1-CG 3.76Å; Y363-P404 HydrophobicContact CE1-CB 4.13Å; Y363-P404 HydrophobicContact CE1-CG 3.99Å; Y366-P404 VanDerWaalsContact CB-CD 3.47Å; Y366-P404 HydrophobicContact CD2-CG 3.97Å; Y366-P404 HydrophobicContact CG-CG 3.99Å; F367-P404 HydrophobicContact CE2-CB 4.35Å; F367-P404 HydrophobicContact CE2-CG 4.01Å; F367-P404 HydrophobicContact CZ-CB 4.31Å; F367-P404 HydrophobicContact CZ-CG 4.4Å; G402-P404 VanDerWaalsContact O-CD 3.32Å; G402-P404 WeakPolarHBondContact O-CD 3.45Å; G402-P404 VanDerWaalsContact O-N 3.1Å; P404-L406 PolarHBondContact O-N 3.06Å; P404-L406 VanDerWaalsContact O-N 3.11Å
405T96.6Very high96.4Very high1 Ų114.1 Ų14.11%0.0069%0.086CC..THydrogen-bonded Turntrans71.2-6.7173.580.70000115.5L19 L26 C407 R408 G414 G415 E457L19-T405 HydrophobicContact CD1-CG2 3.93Å; L19-T405 HydrophobicContact CD2-CG2 3.64Å; L19-T405 HydrophobicContact CG-CG2 4.36Å; L26-T405 HydrophobicContact CD1-CG2 3.83Å; L26-T405 HydrophobicContact CD2-CG2 4.43Å; T405-C407 VanDerWaalsContact C-N 3.25Å; T405-C407 PolarHBondContact O-N 2.95Å; T405-R408 WeakPolarHBondContact O-CB 3.12Å; T405-R408 PolarHBondContact O-N 2.6Å; T405-G414 CarbonylContact O-C 3.58Å; T405-G414 WeakPolarHBondContact O-CA 3.49Å; T405-G415 PolarHBondContact O-N 2.71Å; T405-E457 PolarHBondContact N-OE1 3.11Å; T405-E457 PolarHBondContact N-OE2 3.15Å
406L97.8Very high96.3Very high0 Ų014.4 Ų14.40%09%0.089CC..THydrogen-bonded Turntrans-57.4-40.5-177.7-177.871.7000112.1V345 L349 F376 A397 E399 M403 P404 R408 G415 G416 F417 E457V345-L406 HydrophobicContact CG1-CD1 4.48Å; V345-L406 HydrophobicContact CG1-CD2 4.37Å; L349-L406 HydrophobicContact CD1-CD1 4.43Å; L349-L406 HydrophobicContact CD1-CD2 4.45Å; F376-L406 HydrophobicContact CE2-CD1 4.31Å; A397-L406 HydrophobicContact CB-CD2 3.92Å; E399-L406 HydrophobicContact CB-CD2 3.57Å; E399-L406 HydrophobicContact CG-CD2 3.46Å; E399-L406 VanDerWaalsContact CG-CD2 3.46Å; M403-L406 HydrophobicContact CB-CB 4.3Å; M403-L406 HydrophobicContact CG-CB 4.27Å; P404-L406 PolarHBondContact O-N 3.06Å; P404-L406 VanDerWaalsContact O-N 3.11Å; L406-R408 VanDerWaalsContact C-N 3.33Å; L406-G415 CarbonylContact O-C 3.58Å; L406-G415 WeakPolarHBondContact O-CA 3.36Å; L406-G415 PolarHBondContact O-N 3Å; L406-G416 PolarHBondContact O-N 3.03Å; L406-F417 HydrophobicContact CD1-CD2 3.72Å; L406-F417 HydrophobicContact CD1-CE2 4Å; L406-F417 HydrophobicContact CG-CD2 3.9Å; L406-F417 PolarHBondContact O-N 3.32Å; L406-F417 VanDerWaalsContact O-N 3.11Å; L406-E457 PolarHBondContact N-OE2 3.16Å
407C97.9Very high96.3Very high7 Ų714.6 Ų14.65%0.0479%0.09CC..THydrogen-bonded Turntrans-99.829.1178.5-54.40000112.2T405 F417 R420 E457T405-C407 VanDerWaalsContact C-N 3.25Å; T405-C407 PolarHBondContact O-N 2.95Å; C407-F417 CarbonylContact C-O 3.32Å; C407-F417 WeakPolarHBondContact CA-O 3.46Å; C407-R420 PolarHBondContact SG-NE 3.41Å; C407-E457 WeakPolarHBondContact CA-OE2 3.31Å; C407-E457 HydrophobicContact CB-CB 4Å; C407-E457 HydrophobicContact CB-CG 4.37Å; C407-E457 PolarHBondContact N-OE2 3.38Å
408R97.7Very high96.3Very high47 Ų4715.8 Ų15.818%0.17710%0.096CC..SBendtrans-109.8151170.8-60.8-57.9-53.4167.91.9109.6L19 T405 L406 E412 G414 G416 G456 E457L19-R408 HydrophobicContact CD1-CG 4.01Å; T405-R408 WeakPolarHBondContact O-CB 3.12Å; T405-R408 PolarHBondContact O-N 2.6Å; L406-R408 VanDerWaalsContact C-N 3.33Å; R408-E412 IonicContact CZ-OE2 3.72Å; R408-E412 VanDerWaalsContact CZ-OE2 3.26Å; R408-E412 IonicContact NE-OE2 3.33Å; R408-E412 PolarHBondContact NE-OE2 2.85Å; R408-E412 VanDerWaalsContact NH2-CD 3.28Å; R408-E412 IonicContact NH2-OE1 2.93Å; R408-E412 PolarHBondContact NH2-OE1 3.12Å; R408-E412 IonicContact NH2-OE2 3.81Å; R408-E412 PolarHBondContact NH2-OE2 3.34Å; R408-G414 CarbonylContact O-C 3.1Å; R408-G414 WeakPolarHBondContact O-CA 3.41Å; R408-G416 VanDerWaalsContact O-CA 3.27Å; R408-G416 WeakPolarHBondContact O-CA 3.43Å; R408-G416 PolarHBondContact O-N 2.95Å; R408-G456 PolarHBondContact NH1-O 3.19Å; R408-E457 HydrophobicContact CG-CG 3.97Å
409P97.7Very high96.3Very high56 Ų5615.4 Ų15.436%0.3649%0.094SC..  trans-53.5145.4178.9-26.534000112.9S411 E412 G414P409-S411 PolarHBondContact O-N 2.84Å; P409-S411 VanDerWaalsContact O-N 3.15Å; P409-E412 HydrophobicContact CB-CG 4.33Å; P409-E412 HydrophobicContact CG-CG 4.4Å; P409-E412 WeakPolarHBondContact O-CB 3.31Å; P409-E412 PolarHBondContact O-N 2.93Å; P409-G414 PolarHBondContact O-N 3.13Å; P409-G414 VanDerWaalsContact O-N 3.17Å
410V98.3Very high96.5Very high12 Ų1215.9 Ų15.97%0.07310%0.096CC..G310 helixtrans-55.5-35.2174.6178.20000111.2Y37 F40 M380 N383 H384 E412 G413Y37-V410 HydrophobicContact CE2-CG1 4.17Å; Y37-V410 WeakPolarHBondContact CE2-O 3.47Å; F40-V410 HydrophobicContact CD1-CG1 4.22Å; F40-V410 HydrophobicContact CD2-CG1 4.37Å; F40-V410 HydrophobicContact CE1-CG1 3.9Å; F40-V410 HydrophobicContact CE2-CG1 4.06Å; F40-V410 HydrophobicContact CG-CG1 4.45Å; F40-V410 HydrophobicContact CZ-CG1 3.81Å; M380-V410 HydrophobicContact CB-CG1 4.43Å; M380-V410 HydrophobicContact CB-CG2 4.45Å; M380-V410 HydrophobicContact CE-CG1 3.87Å; N383-V410 HydrophobicContact CB-CG2 4.47Å; H384-V410 HydrophobicContact CB-CG1 4.48Å; H384-V410 HydrophobicContact CB-CG2 4.27Å; V410-E412 PolarHBondContact O-N 3.26Å; V410-G413 PolarHBondContact O-N 3.29Å
411S97.9Very high97Very high39 Ų3913.2 Ų13.227%0.2738%0.079SC..G310 helixtrans-64.7-17.9176.963.50000114.6V13 N15 P409V13-S411 WeakPolarHBondContact CG1-O 3.19Å; N15-S411 PolarHBondContact N-O 2.86Å; N15-S411 PolarHBondContact ND2-OG 3.05Å; N15-S411 VanDerWaalsContact ND2-OG 3.13Å; P409-S411 PolarHBondContact O-N 2.84Å; P409-S411 VanDerWaalsContact O-N 3.15Å
412E97.7Very high97.2Very high12 Ų1213.2 Ų13.26%0.0568%0.079CC..G310 helixtrans-91.1-3172.5-66.4-175-175.900112.6N15 N18 L19 R408 P409 V410N15-E412 HydrophobicContact CB-CG 3.77Å; N18-E412 HydrophobicContact CB-CG 4.49Å; L19-E412 HydrophobicContact CB-CB 4.17Å; L19-E412 VanDerWaalsContact CD2-O 3.32Å; L19-E412 WeakPolarHBondContact CD2-O 3.15Å; R408-E412 IonicContact CZ-OE2 3.72Å; R408-E412 VanDerWaalsContact CZ-OE2 3.26Å; R408-E412 IonicContact NE-OE2 3.33Å; R408-E412 PolarHBondContact NE-OE2 2.85Å; R408-E412 VanDerWaalsContact NH2-CD 3.28Å; R408-E412 IonicContact NH2-OE1 2.93Å; R408-E412 PolarHBondContact NH2-OE1 3.12Å; R408-E412 IonicContact NH2-OE2 3.81Å; R408-E412 PolarHBondContact NH2-OE2 3.34Å; P409-E412 HydrophobicContact CB-CG 4.33Å; P409-E412 HydrophobicContact CG-CG 4.4Å; P409-E412 WeakPolarHBondContact O-CB 3.31Å; P409-E412 PolarHBondContact O-N 2.93Å; V410-E412 PolarHBondContact O-N 3.26Å
413G97.3Very high97.2Very high2 Ų213.9 Ų13.92%0.0218%0.077CC..THydrogen-bonded Turntrans89.312.4-171.400000113.7V410V410-G413 PolarHBondContact O-N 3.29Å
414G97.3Very high97.1Very high0 Ų016.8 Ų16.80%010%0.101CC..SBendtrans-86.4177178.900000115T405 R408 P409 G416T405-G414 CarbonylContact O-C 3.58Å; T405-G414 WeakPolarHBondContact O-CA 3.49Å; R408-G414 CarbonylContact O-C 3.1Å; R408-G414 WeakPolarHBondContact O-CA 3.41Å; P409-G414 PolarHBondContact O-N 3.13Å; P409-G414 VanDerWaalsContact O-N 3.17Å; G414-G416 VanDerWaalsContact C-N 3.32Å
415G98.1Very high97.1Very high0 Ų017 Ų170%010%0.102CC..  trans-75.3-20.2176.900000113.9N383 T405 L406N383-G415 WeakPolarHBondContact CB-O 3.35Å; N383-G415 PolarHBondContact ND2-O 3.19Å; T405-G415 PolarHBondContact O-N 2.71Å; L406-G415 CarbonylContact O-C 3.58Å; L406-G415 WeakPolarHBondContact O-CA 3.36Å; L406-G415 PolarHBondContact O-N 3Å
416G98.3Very high97.1Very high6 Ų617 Ų176%0.06210%0.102CC..  trans87.63.6176.500000115.7N383 H387 L406 R408 G414N383-G416 VanDerWaalsContact CG-C 3.47Å; N383-G416 PolarHBondContact OD1-O 3.28Å; H387-G416 PolarHBondContact CD2-O 3.23Å; H387-G416 PolarHBondContact NE2-O 3.35Å; L406-G416 PolarHBondContact O-N 3.03Å; R408-G416 VanDerWaalsContact O-CA 3.27Å; R408-G416 WeakPolarHBondContact O-CA 3.43Å; R408-G416 PolarHBondContact O-N 2.95Å; G414-G416 VanDerWaalsContact C-N 3.32Å
417F98.7Very high96.9Very high4 Ų421.3 Ų21.32%0.01813%0.125CC..  trans-68.7147.4176.2-78-83.8000112F342 V345 L379 N383 T395 A397 L406 C407F342-F417 HydrophobicContact CB-CE1 3.94Å; F342-F417 HydrophobicContact CB-CZ 4.02Å; F342-F417 HydrophobicContact CD1-CZ 4.28Å; F342-F417 AromaticContact CD2-CE1 3.47Å; F342-F417 HydrophobicContact CD2-CE1 3.47Å; F342-F417 VanDerWaalsContact CD2-CE1 3.47Å; F342-F417 HydrophobicContact CD2-CZ 4.05Å; F342-F417 HydrophobicContact CE2-CE1 4.02Å; F342-F417 AromaticContact CG-CE1 3.74Å; F342-F417 HydrophobicContact CG-CE1 3.74Å; F342-F417 AromaticContact CG-CZ 3.87Å; F342-F417 HydrophobicContact CG-CZ 3.87Å; V345-F417 HydrophobicContact CG2-CZ 4.11Å; L379-F417 HydrophobicContact CB-CE2 4.2Å; L379-F417 HydrophobicContact CD1-CE2 4.23Å; L379-F417 HydrophobicContact CD2-CE2 3.94Å; L379-F417 HydrophobicContact CD2-CZ 3.82Å; L379-F417 HydrophobicContact CG-CE2 4.34Å; N383-F417 WeakPolarHBondContact ND2-CD2 3.32Å; N383-F417 WeakPolarHBondContact ND2-CE2 3.25Å; T395-F417 WeakPolarHBondContact OG1-CA 3.47Å; A397-F417 HydrophobicContact CB-CB 4.48Å; A397-F417 HydrophobicContact CB-CD1 3.78Å; A397-F417 HydrophobicContact CB-CD2 4.01Å; A397-F417 HydrophobicContact CB-CE1 3.86Å; A397-F417 HydrophobicContact CB-CE2 4.09Å; A397-F417 HydrophobicContact CB-CG 3.84Å; A397-F417 HydrophobicContact CB-CZ 4.01Å; L406-F417 HydrophobicContact CD1-CD2 3.72Å; L406-F417 HydrophobicContact CD1-CE2 4Å; L406-F417 HydrophobicContact CG-CD2 3.9Å; L406-F417 PolarHBondContact O-N 3.32Å; L406-F417 VanDerWaalsContact O-N 3.11Å; C407-F417 CarbonylContact C-O 3.32Å; C407-F417 WeakPolarHBondContact CA-O 3.46Å
418D98.1Very high96.8Very high25 Ų2522.4 Ų22.413%0.13413%0.129CC..SBendtrans-77.1-39.6171.9-65.2-66.9000112.2R179 H387 I394 T395 P458R179-D418 IonicContact CZ-OD1 3.34Å; R179-D418 IonicContact CZ-OD2 4Å; R179-D418 IonicContact NH1-OD1 3.85Å; R179-D418 PolarHBondContact NH1-OD1 2.81Å; R179-D418 IonicContact NH1-OD2 2.73Å; R179-D418 PolarHBondContact NH1-OD2 3.15Å; R179-D418 IonicContact NH2-OD1 3.03Å; R179-D418 PolarHBondContact NH2-OD1 2.63Å; R179-D418 IonicContact NH2-OD2 3.12Å; H387-D418 IonicContact CE1-OD1 2.84Å; H387-D418 IonicContact CE1-OD2 3.67Å; H387-D418 PolarHBondContact CE1-OD2 2.97Å; H387-D418 IonicContact NE2-OD2 2.74Å; I394-D418 VanDerWaalsContact CA-OD2 3.25Å; I394-D418 WeakPolarHBondContact CA-OD2 3.3Å; T395-D418 PolarHBondContact N-OD2 2.67Å; T395-D418 WeakPolarHBondContact O-CB 3.19Å; T395-D418 PolarHBondContact O-N 2.89Å; T395-D418 PolarHBondContact OG1-N 3.29Å; D418-P458 WeakPolarHBondContact O-CB 3.49Å; D418-P458 WeakPolarHBondContact O-CD 3.5Å; D418-P458 VanDerWaalsContact O-CG 3.31Å; D418-P458 WeakPolarHBondContact O-CG 3.47Å
419Y98.1Very high96.8Very high19 Ų1920.2 Ų20.28%0.07512%0.121CC..EExtended strand (participates in β ladder)trans-140.2163.8-177.4-56.2-96.1000112.3L183 I394 T395 I396 A397 P458 I460 E519L183-Y419 HydrophobicContact CD2-CD2 4.33Å; L183-Y419 HydrophobicContact CD2-CE2 4.06Å; I394-Y419 HydrophobicContact CG2-CD2 4.12Å; I394-Y419 HydrophobicContact CG2-CE2 4.08Å; T395-Y419 PolarHBondContact O-N 3.23Å; T395-Y419 VanDerWaalsContact O-N 3.09Å; I396-Y419 CarbonylContact C-O 3.53Å; I396-Y419 WeakPolarHBondContact CA-O 3.47Å; I396-Y419 HydrophobicContact CG1-CD2 4.36Å; A397-Y419 PolarHBondContact N-O 3.34Å; Y419-P458 VanDerWaalsContact CA-O 3.29Å; Y419-P458 WeakPolarHBondContact CA-O 3.5Å; Y419-P458 HydrophobicContact CD1-CB 3.35Å; Y419-P458 HydrophobicContact CE1-CB 3.61Å; Y419-P458 HydrophobicContact CG-CB 4.14Å; Y419-I460 HydrophobicContact CD1-CD1 3.44Å; Y419-I460 VanDerWaalsContact CD1-CD1 3.44Å; Y419-I460 HydrophobicContact CD1-CG1 4.21Å; Y419-I460 HydrophobicContact CD2-CD1 4.25Å; Y419-I460 HydrophobicContact CE1-CD1 4.02Å; Y419-I460 HydrophobicContact CG-CD1 3.61Å; Y419-I460 HydrophobicContact CG-CG1 4.08Å; Y419-E519 HydrophobicContact CE1-CB 4.11Å
420R97.7Very high96.6Very high11 Ų1119 Ų194%0.04211%0.111CC..EExtended strand (participates in β ladder)trans-127.6157.5160.668.6-177.378-166.713.8112A397 E399 M403 C407 E457 P458 N459 I460A397-R420 HydrophobicContact CB-CB 4.37Å; A397-R420 CarbonylContact O-C 3.5Å; A397-R420 VanDerWaalsContact O-CA 3.24Å; A397-R420 WeakPolarHBondContact O-CA 3.22Å; E399-R420 IonicContact OE2-CZ 3.82Å; E399-R420 IonicContact OE2-NH1 3.2Å; E399-R420 PolarHBondContact OE2-NH1 3.33Å; M403-R420 PolarHBondContact O-NH1 3.26Å; M403-R420 PolarHBondContact O-NH2 3.1Å; C407-R420 PolarHBondContact SG-NE 3.41Å; R420-E457 IonicContact CZ-OE2 3.5Å; R420-E457 VanDerWaalsContact NH2-CD 3.27Å; R420-E457 IonicContact NH2-OE1 2.86Å; R420-E457 IonicContact NH2-OE2 3.7Å; R420-E457 PolarHBondContact NH2-OE2 2.84Å; R420-P458 PolarHBondContact N-O 2.9Å; R420-N459 WeakPolarHBondContact CG-OD1 3.43Å; R420-N459 CarbonylContact O-C 3.59Å; R420-N459 VanDerWaalsContact O-CA 3.3Å; R420-N459 WeakPolarHBondContact O-CA 3.32Å; R420-I460 PolarHBondContact O-N 3.11Å
421L97.2Very high96.5Very high7 Ų720.8 Ų20.84%0.03712%0.119CC..EExtended strand (participates in β ladder)trans-73.7136.2175.6-64.3-167.6000112.2I396 A397 E398 M423 I460 Y462I396-L421 HydrophobicContact CG2-CD2 3.76Å; I396-L421 HydrophobicContact CG2-CG 4.26Å; A397-L421 PolarHBondContact O-N 3.32Å; E398-L421 HydrophobicContact CB-CD1 4.27Å; E398-L421 HydrophobicContact CG-CD1 4.13Å; L421-M423 HydrophobicContact CB-CG 4.46Å; L421-M423 PolarHBondContact O-N 2.77Å; L421-I460 HydrophobicContact CD2-CB 3.82Å; L421-I460 HydrophobicContact CD2-CG1 4.29Å; L421-I460 HydrophobicContact CD2-CG2 4.11Å; L421-Y462 HydrophobicContact CB-CE1 4.02Å; L421-Y462 HydrophobicContact CD2-CE1 4.39Å
422A95.2Very high96.5Very high8 Ų819.3 Ų19.37%0.06611%0.108CC..  trans-91.563.3178.900000113.1A424 I425 P426 N459 I460A422-A424 PolarHBondContact O-N 3.04Å; A422-A424 VanDerWaalsContact O-N 3.12Å; A422-I425 HydrophobicContact CB-CD1 3.67Å; A422-I425 HydrophobicContact CB-CG1 4.16Å; A422-I425 WeakPolarHBondContact O-CB 3.27Å; A422-I425 PolarHBondContact O-N 2.88Å; A422-P426 VanDerWaalsContact O-CD 3.32Å; A422-P426 WeakPolarHBondContact O-CD 3.2Å; A422-N459 HydrophobicContact CB-CB 4.18Å; A422-I460 WeakPolarHBondContact CB-O 3.42Å; A422-I460 PolarHBondContact N-O 3.43Å
423M91.8Very high96.4Very high35 Ų3520 Ų2017%0.17211%0.111CC..THydrogen-bonded Turntrans-61-22.2-173.5-76.5177.571.200115.4E398 V400 L421 I425 P426 D427 Y462E398-M423 HydrophobicContact CG-SD 4.16Å; V400-M423 HydrophobicContact CB-CB 4.37Å; V400-M423 HydrophobicContact CG1-CB 3.44Å; V400-M423 VanDerWaalsContact CG1-CB 3.44Å; V400-M423 HydrophobicContact CG1-CE 4.11Å; V400-M423 HydrophobicContact CG1-CG 3.54Å; V400-M423 HydrophobicContact CG1-SD 3.06Å; V400-M423 WeakPolarHBondContact CG1-SD 3.2Å; L421-M423 HydrophobicContact CB-CG 4.46Å; L421-M423 PolarHBondContact O-N 2.77Å; M423-I425 PolarHBondContact O-N 3.18Å; M423-P426 WeakPolarHBondContact O-CD 3.4Å; M423-P426 VanDerWaalsContact O-CG 3.23Å; M423-P426 WeakPolarHBondContact O-CG 3.37Å; M423-D427 PolarHBondContact O-N 2.88Å; M423-Y462 WeakPolarHBondContact CG-OH 3.26Å
424A93.2Very high96.2Very high61 Ų6126.6 Ų26.650%0.50414%0.14SC..Hα-helixtrans-62.3-23.2173.800000113.3A422 K428 T449A422-A424 PolarHBondContact O-N 3.04Å; A422-A424 VanDerWaalsContact O-N 3.12Å; A424-K428 VanDerWaalsContact O-CB 3.27Å; A424-K428 WeakPolarHBondContact O-CB 3.43Å; A424-K428 PolarHBondContact O-N 3.32Å; A424-K428 VanDerWaalsContact O-N 3.1Å; A424-T449 HydrophobicContact CB-CG2 4.28Å; A424-T449 WeakPolarHBondContact O-CG2 3.37Å
425I96.7Very high96.2Very high5 Ų533 Ų333%0.02617%0.167CC..Hα-helixtrans-73-57-179.7-60.3174.9000112.3A422 M423 D427 K428 W429 L450 A461 Y462 T513A422-I425 HydrophobicContact CB-CD1 3.67Å; A422-I425 HydrophobicContact CB-CG1 4.16Å; A422-I425 WeakPolarHBondContact O-CB 3.27Å; A422-I425 PolarHBondContact O-N 2.88Å; M423-I425 PolarHBondContact O-N 3.18Å; I425-D427 VanDerWaalsContact C-N 3.29Å; I425-D427 PolarHBondContact O-N 3.37Å; I425-K428 WeakPolarHBondContact O-CB 3.27Å; I425-K428 PolarHBondContact O-N 3.11Å; I425-K428 VanDerWaalsContact O-N 3.15Å; I425-W429 PolarHBondContact O-N 3.33Å; I425-W429 VanDerWaalsContact O-N 3.11Å; I425-L450 HydrophobicContact CD1-CD2 4.16Å; I425-L450 HydrophobicContact CG1-CD2 4.25Å; I425-L450 HydrophobicContact CG2-CD2 3.82Å; I425-A461 HydrophobicContact CD1-CB 3.8Å; I425-Y462 WeakPolarHBondContact CG2-O 3.29Å; I425-T513 HydrophobicContact CG2-CG2 3.79Å
426P96Very high96.1Very high0 Ų038.2 Ų38.20%019%0.188CC..Hα-helixtrans-59.4-39.6176.125-36.3000111.9A422 M423 K428 W429 I430 Y462 Q468A422-P426 VanDerWaalsContact O-CD 3.32Å; A422-P426 WeakPolarHBondContact O-CD 3.2Å; M423-P426 WeakPolarHBondContact O-CD 3.4Å; M423-P426 VanDerWaalsContact O-CG 3.23Å; M423-P426 WeakPolarHBondContact O-CG 3.37Å; P426-K428 VanDerWaalsContact C-N 3.29Å; P426-K428 PolarHBondContact O-N 3.01Å; P426-W429 PolarHBondContact O-N 2.88Å; P426-W429 VanDerWaalsContact O-N 3.09Å; P426-I430 PolarHBondContact O-N 2.96Å; P426-Y462 HydrophobicContact CB-CD2 4.38Å; P426-Y462 HydrophobicContact CB-CE2 4.22Å; P426-Y462 HydrophobicContact CG-CD2 4.08Å; P426-Y462 HydrophobicContact CG-CE2 3.59Å; P426-Q468 HydrophobicContact CB-CG 4.36Å
427D93.7Very high96Very high91 Ų9144.1 Ų44.149%0.48721%0.212SC..Hα-helixtrans-58.6-40.8175.4-75.4-11.7000112.1M423 I425 I430 E431M423-D427 PolarHBondContact O-N 2.88Å; I425-D427 VanDerWaalsContact C-N 3.29Å; I425-D427 PolarHBondContact O-N 3.37Å; D427-I430 PolarHBondContact O-N 3.49Å; D427-E431 WeakPolarHBondContact O-CB 3.47Å; D427-E431 PolarHBondContact O-N 2.97Å
428K96.3Very high95.9Very high30 Ų3044.6 Ų44.613%0.1322%0.215CC..Hα-helixtrans-63.7-40.9175.5-178.356.154.5179.40111.9A424 I425 P426 E431 L432 N445 L446 T449A424-K428 VanDerWaalsContact O-CB 3.27Å; A424-K428 WeakPolarHBondContact O-CB 3.43Å; A424-K428 PolarHBondContact O-N 3.32Å; A424-K428 VanDerWaalsContact O-N 3.1Å; I425-K428 WeakPolarHBondContact O-CB 3.27Å; I425-K428 PolarHBondContact O-N 3.11Å; I425-K428 VanDerWaalsContact O-N 3.15Å; P426-K428 VanDerWaalsContact C-N 3.29Å; P426-K428 PolarHBondContact O-N 3.01Å; K428-E431 WeakPolarHBondContact CE-OE2 3.46Å; K428-E431 IonicContact NZ-OE2 3.66Å; K428-E431 PolarHBondContact NZ-OE2 2.93Å; K428-E431 WeakPolarHBondContact O-CB 3.24Å; K428-E431 PolarHBondContact O-N 3.4Å; K428-L432 HydrophobicContact CD-CD1 4.31Å; K428-L432 HydrophobicContact CD-CG 4.19Å; K428-L432 HydrophobicContact CG-CD1 4.21Å; K428-L432 WeakPolarHBondContact O-CB 3.13Å; K428-L432 VanDerWaalsContact O-CG 3.28Å; K428-L432 WeakPolarHBondContact O-CG 3.47Å; K428-L432 PolarHBondContact O-N 3.2Å; K428-N445 WeakPolarHBondContact CE-OD1 3.48Å; K428-N445 PolarHBondContact NZ-OD1 3.49Å; K428-L446 HydrophobicContact CG-CD1 4.39Å; K428-T449 HydrophobicContact CB-CG2 3.84Å; K428-T449 WeakPolarHBondContact CE-OG1 3.21Å; K428-T449 HydrophobicContact CG-CG2 4.06Å
429W97.2Very high95.7Very high2 Ų248.4 Ų48.41%0.00823%0.232CC..Hα-helixtrans-65.5-44.9177.5-67.9124.4000111.9I425 P426 E431 L432 L433 W441 L446 I509 I512 T513I425-W429 PolarHBondContact O-N 3.33Å; I425-W429 VanDerWaalsContact O-N 3.11Å; P426-W429 PolarHBondContact O-N 2.88Å; P426-W429 VanDerWaalsContact O-N 3.09Å; W429-E431 VanDerWaalsContact C-N 3.31Å; W429-E431 PolarHBondContact O-N 2.84Å; W429-L432 HydrophobicContact CE3-CD1 3.87Å; W429-L432 HydrophobicContact CZ3-CD1 3.92Å; W429-L432 PolarHBondContact O-N 3.19Å; W429-L433 WeakPolarHBondContact O-CB 3.38Å; W429-L433 WeakPolarHBondContact O-CD1 3.5Å; W429-L433 WeakPolarHBondContact O-CG 3.29Å; W429-L433 PolarHBondContact O-N 3.28Å; W429-W441 HydrophobicContact CZ3-CZ3 4.12Å; W429-L446 HydrophobicContact CE3-CD1 4.43Å; W429-L446 HydrophobicContact CH2-CD1 3.43Å; W429-L446 VanDerWaalsContact CH2-CD1 3.43Å; W429-L446 HydrophobicContact CH2-CD2 3.59Å; W429-L446 HydrophobicContact CH2-CG 4.12Å; W429-L446 HydrophobicContact CZ2-CD1 3.67Å; W429-L446 HydrophobicContact CZ3-CD1 3.81Å; W429-L446 HydrophobicContact CZ3-CD2 3.99Å; W429-I509 HydrophobicContact CD2-CB 4.47Å; W429-I509 HydrophobicContact CD2-CG1 4.25Å; W429-I509 HydrophobicContact CD2-CG2 3.65Å; W429-I509 HydrophobicContact CE3-CB 4.47Å; W429-I509 HydrophobicContact CE3-CD1 4.16Å; W429-I509 HydrophobicContact CE3-CG1 3.78Å; W429-I509 HydrophobicContact CE3-CG2 4.09Å; W429-I509 HydrophobicContact CG-CG2 3.95Å; W429-I509 HydrophobicContact CH2-CB 4.3Å; W429-I509 HydrophobicContact CH2-CG1 3.91Å; W429-I509 HydrophobicContact CH2-CG2 4.38Å; W429-I509 HydrophobicContact CZ2-CB 4.31Å; W429-I509 HydrophobicContact CZ2-CG1 4.37Å; W429-I509 HydrophobicContact CZ2-CG2 3.99Å; W429-I509 HydrophobicContact CZ3-CB 4.42Å; W429-I509 HydrophobicContact CZ3-CD1 4.39Å; W429-I509 HydrophobicContact CZ3-CG1 3.63Å; W429-I509 HydrophobicContact CZ3-CG2 4.46Å; W429-I512 HydrophobicContact CH2-CG2 3.75Å; W429-I512 HydrophobicContact CZ2-CG2 3.55Å; W429-T513 PolarHBondContact NE1-OG1 3.41Å
430I94.1Very high95.7Very high29 Ų2951.8 Ų51.815%0.14925%0.251CS..Hα-helixtrans-60-44.2174-68.4171.7000110.4P426 D427 L432 L433 K434 Q468P426-I430 PolarHBondContact O-N 2.96Å; D427-I430 PolarHBondContact O-N 3.49Å; I430-L432 PolarHBondContact O-N 2.83Å; I430-L433 PolarHBondContact O-N 2.86Å; I430-K434 WeakPolarHBondContact O-CB 3.12Å; I430-K434 PolarHBondContact O-N 2.82Å; I430-Q468 HydrophobicContact CD1-CB 4.11Å; I430-Q468 HydrophobicContact CD1-CG 3.43Å; I430-Q468 VanDerWaalsContact CD1-CG 3.43Å
431E95.4Very high95.7Very high50 Ų5051.3 Ų51.323%0.23425%0.249CC..Hα-helixtrans-56.5-51176.4-174-175.9-158.800111.8D427 K428 W429 L433 K434 K435 Y436D427-E431 WeakPolarHBondContact O-CB 3.47Å; D427-E431 PolarHBondContact O-N 2.97Å; K428-E431 WeakPolarHBondContact CE-OE2 3.46Å; K428-E431 IonicContact NZ-OE2 3.66Å; K428-E431 PolarHBondContact NZ-OE2 2.93Å; K428-E431 WeakPolarHBondContact O-CB 3.24Å; K428-E431 PolarHBondContact O-N 3.4Å; W429-E431 VanDerWaalsContact C-N 3.31Å; W429-E431 PolarHBondContact O-N 2.84Å; E431-L433 PolarHBondContact O-N 3.11Å; E431-K434 PolarHBondContact O-N 3.26Å; E431-K435 HydrophobicContact CG-CD 3.79Å; E431-K435 HydrophobicContact CG-CG 4.44Å; E431-K435 VanDerWaalsContact O-CB 3.31Å; E431-K435 WeakPolarHBondContact O-CB 3.31Å; E431-K435 PolarHBondContact O-N 2.9Å; E431-K435 IonicContact OE1-NZ 3.66Å; E431-K435 PolarHBondContact OE1-NZ 3.11Å; E431-Y436 HydrophobicContact CG-CE2 4.21Å
432L97.7Very high95.7Very high8 Ų854.6 Ų54.64%0.04227%0.267CS..Hα-helixtrans-60.6-43.6-180-72.9175.6000111.9K428 W429 I430 Y436 W441 L446K428-L432 HydrophobicContact CD-CD1 4.31Å; K428-L432 HydrophobicContact CD-CG 4.19Å; K428-L432 HydrophobicContact CG-CD1 4.21Å; K428-L432 WeakPolarHBondContact O-CB 3.13Å; K428-L432 VanDerWaalsContact O-CG 3.28Å; K428-L432 WeakPolarHBondContact O-CG 3.47Å; K428-L432 PolarHBondContact O-N 3.2Å; W429-L432 HydrophobicContact CE3-CD1 3.87Å; W429-L432 HydrophobicContact CZ3-CD1 3.92Å; W429-L432 PolarHBondContact O-N 3.19Å; I430-L432 PolarHBondContact O-N 2.83Å; L432-Y436 HydrophobicContact CD2-CD2 4.2Å; L432-Y436 PolarHBondContact O-N 3.24Å; L432-W441 HydrophobicContact CB-CD2 4.37Å; L432-W441 HydrophobicContact CB-CZ2 4.28Å; L432-W441 HydrophobicContact CD1-CD2 4.36Å; L432-W441 HydrophobicContact CD2-CB 4.34Å; L432-W441 HydrophobicContact CD2-CG 4.02Å; L432-W441 PolarHBondContact O-NE1 2.96Å; L432-L446 HydrophobicContact CD1-CD1 4.33Å
433L96Very high95.9Very high26 Ų2654.2 Ų54.214%0.13626%0.264CS..Hα-helixtrans-73.2-32.3-178.5-67.8166.3000113W429 I430 E431 W441 L476 W479 L480W429-L433 WeakPolarHBondContact O-CB 3.38Å; W429-L433 WeakPolarHBondContact O-CD1 3.5Å; W429-L433 WeakPolarHBondContact O-CG 3.29Å; W429-L433 PolarHBondContact O-N 3.28Å; I430-L433 PolarHBondContact O-N 2.86Å; E431-L433 PolarHBondContact O-N 3.11Å; L433-W441 HydrophobicContact CD2-CH2 4.31Å; L433-W441 HydrophobicContact CD2-CZ2 3.9Å; L433-L476 HydrophobicContact CD1-CD1 3.46Å; L433-L476 VanDerWaalsContact CD1-CD1 3.46Å; L433-W479 HydrophobicContact CB-CB 4.29Å; L433-W479 HydrophobicContact CB-CG 4.46Å; L433-W479 HydrophobicContact CD1-CB 3.93Å; L433-W479 HydrophobicContact CD1-CG 4.42Å; L433-L480 HydrophobicContact CD2-CD2 3.46Å; L433-L480 VanDerWaalsContact CD2-CD2 3.46Å; L433-L480 HydrophobicContact CD2-CG 4.04Å
434K94.1Very high96.2Very high141 Ų14153.4 Ų53.461%0.61327%0.265SS*.Hα-helixtrans-86.6-35.5-176.5-174.1172.3-178.2171.30113.2I430 E431 W479I430-K434 WeakPolarHBondContact O-CB 3.12Å; I430-K434 PolarHBondContact O-N 2.82Å; E431-K434 PolarHBondContact O-N 3.26Å; K434-W479 HydrophobicContact CB-CH2 4.36Å; K434-W479 HydrophobicContact CB-CZ3 4.44Å; K434-W479 HydrophobicContact CD-CH2 4.19Å; K434-W479 HydrophobicContact CG-CH2 4.15Å; K434-W479 HydrophobicContact CG-CZ3 4.47Å
435K96.2Very high96.4Very high134 Ų13453.5 Ų53.558%0.58326%0.257SS*.Hα-helixtrans-109.2-20.6-168.8-58.5-176.2-168.81660114.5E431E431-K435 HydrophobicContact CG-CD 3.79Å; E431-K435 HydrophobicContact CG-CG 4.44Å; E431-K435 VanDerWaalsContact O-CB 3.31Å; E431-K435 WeakPolarHBondContact O-CB 3.31Å; E431-K435 PolarHBondContact O-N 2.9Å; E431-K435 IonicContact OE1-NZ 3.66Å; E431-K435 PolarHBondContact OE1-NZ 3.11Å
436Y97.3Very high96.5Very high110 Ų11053.4 Ų53.443%0.43126%0.256SS..  trans-129.5150.9-169.8-59.2-80.4000112.1E431 L432 D440E431-Y436 HydrophobicContact CG-CE2 4.21Å; L432-Y436 HydrophobicContact CD2-CD2 4.2Å; L432-Y436 PolarHBondContact O-N 3.24Å; Y436-D440 HydrophobicContact CD1-CB 4.4Å
437K95.9Very high96.6Very high130 Ų13053.6 Ų53.657%0.56526%0.257SS*.  trans-80.8157.8165.1-58.5173.9-177.41730109.5E439 D440 W441K437-E439 HydrophobicContact CB-CG 3.94Å; K437-E439 HydrophobicContact CD-CG 4.37Å; K437-E439 WeakPolarHBondContact CD-OE1 3.25Å; K437-E439 IonicContact NZ-OE1 2.82Å; K437-E439 PolarHBondContact O-N 3.47Å; K437-D440 WeakPolarHBondContact O-CA 3.44Å; K437-D440 WeakPolarHBondContact O-CB 3.41Å; K437-D440 PolarHBondContact O-N 2.7Å; K437-W441 PolarHBondContact O-N 2.84Å
438D95Very high96.8Very high14 Ų1454.1 Ų54.18%0.07526%0.256CS..G310 helixtrans-51.6-42.6178.9-49.6-2.9000112.7D440 W441 R501 P615 R676D438-D440 PolarHBondContact O-N 2.89Å; D438-W441 WeakPolarHBondContact O-CB 3.41Å; D438-W441 PolarHBondContact O-N 3.44Å; D438-R501 IonicContact OD1-CZ 3.48Å; D438-R501 IonicContact OD1-NE 3.87Å; D438-R501 PolarHBondContact OD1-NE 3.11Å; D438-R501 IonicContact OD1-NH2 3.38Å; D438-R501 PolarHBondContact OD1-NH2 2.95Å; D438-R501 IonicContact OD2-CZ 3.82Å; D438-R501 IonicContact OD2-NE 2.67Å; D438-R501 PolarHBondContact OD2-NE 3.19Å; D438-R501 IonicContact OD2-NH2 3.62Å; D438-P615 HydrophobicContact CB-CB 4.43Å; D438-R676 IonicContact OD2-CZ 3.37Å; D438-R676 IonicContact OD2-NE 3.98Å; D438-R676 IonicContact OD2-NH2 2.65Å; D438-R676 PolarHBondContact OD2-NH2 3.39Å
439E95.7Very high96.9Very high105 Ų10553.7 Ų53.749%0.49126%0.256SS..G310 helixtrans-62.7-25.517959.9-162.6-159.400113.1K437 K598 P615K437-E439 HydrophobicContact CB-CG 3.94Å; K437-E439 HydrophobicContact CD-CG 4.37Å; K437-E439 WeakPolarHBondContact CD-OE1 3.25Å; K437-E439 IonicContact NZ-OE1 2.82Å; K437-E439 PolarHBondContact O-N 3.47Å; E439-K598 WeakPolarHBondContact O-CE 3.44Å; E439-K598 PolarHBondContact O-NZ 2.82Å; E439-P615 HydrophobicContact CB-CG 4.19Å
440D97.1Very high96.9Very high90 Ų9053.7 Ų53.748%0.48126%0.257SS..G310 helixtrans-94.9-3.9-178.2-59.5-42.8000112.7Y436 K437 D438 N442Y436-D440 HydrophobicContact CD1-CB 4.4Å; K437-D440 WeakPolarHBondContact O-CA 3.44Å; K437-D440 WeakPolarHBondContact O-CB 3.41Å; K437-D440 PolarHBondContact O-N 2.7Å; D438-D440 PolarHBondContact O-N 2.89Å; D440-N442 PolarHBondContact O-N 2.81Å
441W97.9Very high97Very high2 Ų254.1 Ų54.11%0.00826%0.261CS..  trans-62.1129.5178.8-71.77.7000110.9W429 L432 L433 K437 D438 M443 L505 I509 K598 F613W429-W441 HydrophobicContact CZ3-CZ3 4.12Å; L432-W441 HydrophobicContact CB-CD2 4.37Å; L432-W441 HydrophobicContact CB-CZ2 4.28Å; L432-W441 HydrophobicContact CD1-CD2 4.36Å; L432-W441 HydrophobicContact CD2-CB 4.34Å; L432-W441 HydrophobicContact CD2-CG 4.02Å; L432-W441 PolarHBondContact O-NE1 2.96Å; L433-W441 HydrophobicContact CD2-CH2 4.31Å; L433-W441 HydrophobicContact CD2-CZ2 3.9Å; K437-W441 PolarHBondContact O-N 2.84Å; D438-W441 WeakPolarHBondContact O-CB 3.41Å; D438-W441 PolarHBondContact O-N 3.44Å; W441-M443 HydrophobicContact CB-CE 3.43Å; W441-M443 VanDerWaalsContact CB-CE 3.43Å; W441-M443 WeakPolarHBondContact O-CE 3.03Å; W441-L505 HydrophobicContact CH2-CD1 4.25Å; W441-L505 HydrophobicContact CH2-CD2 4.33Å; W441-L505 HydrophobicContact CZ3-CD2 4.26Å; W441-I509 HydrophobicContact CH2-CD1 4.07Å; W441-I509 HydrophobicContact CH2-CG1 4.47Å; W441-K598 PolarHBondContact O-NZ 2.79Å; W441-F613 HydrophobicContact CE3-CD1 4.05Å; W441-F613 HydrophobicContact CE3-CE1 4.45Å; W441-F613 AromaticContact CZ3-CD1 3.93Å; W441-F613 HydrophobicContact CZ3-CD1 3.93Å; W441-F613 HydrophobicContact CZ3-CE1 4.06Å
442N98.1Very high96.9Very high75 Ų7557 Ų5740%0.40128%0.278SS..  trans-89.3109-179.5-172.8-65.1000110.3D440 G444 N445 L446 E595D440-N442 PolarHBondContact O-N 2.81Å; N442-G444 PolarHBondContact OD1-N 3.37Å; N442-N445 HydrophobicContact CB-CB 3.94Å; N442-N445 PolarHBondContact O-N 3.18Å; N442-N445 VanDerWaalsContact OD1-CB 3.23Å; N442-N445 WeakPolarHBondContact OD1-CB 3.46Å; N442-N445 PolarHBondContact OD1-N 3.04Å; N442-L446 WeakPolarHBondContact O-CB 3.36Å; N442-L446 PolarHBondContact O-N 2.85Å; N442-E595 VanDerWaalsContact CA-OE2 3.26Å; N442-E595 WeakPolarHBondContact CA-OE2 3.43Å; N442-E595 PolarHBondContact OD1-OE1 2.87Å
443M98.5Very high96.7Very high0 Ų058.5 Ų58.50%028%0.283CS..Hα-helixtrans-68.9-37.9-173.1-64.6-5997.900111.8W441 L446 V447 E595 K598 I600 F613W441-M443 HydrophobicContact CB-CE 3.43Å; W441-M443 VanDerWaalsContact CB-CE 3.43Å; W441-M443 WeakPolarHBondContact O-CE 3.03Å; M443-L446 PolarHBondContact O-N 3.31Å; M443-V447 WeakPolarHBondContact O-CB 3.29Å; M443-V447 WeakPolarHBondContact O-CG2 3.43Å; M443-V447 PolarHBondContact O-N 3.1Å; M443-E595 PolarHBondContact N-OE1 3.39Å; M443-E595 VanDerWaalsContact N-OE1 3.15Å; M443-E595 PolarHBondContact N-OE2 2.93Å; M443-K598 HydrophobicContact CE-CD 4.34Å; M443-K598 HydrophobicContact CG-CB 4.45Å; M443-K598 HydrophobicContact CG-CD 3.98Å; M443-I600 HydrophobicContact CB-CD1 4.07Å; M443-I600 HydrophobicContact CB-CG1 4.03Å; M443-I600 HydrophobicContact CG-CD1 4.35Å; M443-I600 HydrophobicContact CG-CG1 4.32Å; M443-I600 HydrophobicContact SD-CD1 3.66Å; M443-I600 HydrophobicContact SD-CG1 4.08Å; M443-F613 HydrophobicContact CE-CB 4.26Å; M443-F613 HydrophobicContact CE-CG 4.43Å; M443-F613 HydrophobicContact SD-CB 3.84Å; M443-F613 HydrophobicContact SD-CD2 3.83Å; M443-F613 HydrophobicContact SD-CG 3.94Å
444G98.2Very high96.5Very high19 Ų1959.4 Ų59.420%0.19628%0.284CS..Hα-helixtrans-67.7-40.4178.300000112.9N442 H448 E595N442-G444 PolarHBondContact OD1-N 3.37Å; G444-H448 VanDerWaalsContact O-CB 3.23Å; G444-H448 WeakPolarHBondContact O-CB 3.3Å; G444-H448 PolarHBondContact O-N 3.41Å; G444-E595 PolarHBondContact N-OE1 2.87Å
445N97.9Very high96.4Very high63 Ų6361.6 Ų61.634%0.33729%0.29SS..Hα-helixtrans-68-39.2174.5-174.4-102.8000111.5K428 N442 H448 T449K428-N445 WeakPolarHBondContact CE-OD1 3.48Å; K428-N445 PolarHBondContact NZ-OD1 3.49Å; N442-N445 HydrophobicContact CB-CB 3.94Å; N442-N445 PolarHBondContact O-N 3.18Å; N442-N445 VanDerWaalsContact OD1-CB 3.23Å; N442-N445 WeakPolarHBondContact OD1-CB 3.46Å; N442-N445 PolarHBondContact OD1-N 3.04Å; N445-H448 PolarHBondContact O-N 2.9Å; N445-T449 WeakPolarHBondContact O-CB 3.47Å; N445-T449 PolarHBondContact O-N 3.42Å; N445-T449 PolarHBondContact O-OG1 3Å
446L98.4Very high96.1Very high2 Ų256.6 Ų56.61%0.0128%0.277CS..Hα-helixtrans-60.9-53.2173.8173.460000111K428 W429 L432 N442 M443 H448 T449 L450 I512 I600 F613K428-L446 HydrophobicContact CG-CD1 4.39Å; W429-L446 HydrophobicContact CE3-CD1 4.43Å; W429-L446 HydrophobicContact CH2-CD1 3.43Å; W429-L446 VanDerWaalsContact CH2-CD1 3.43Å; W429-L446 HydrophobicContact CH2-CD2 3.59Å; W429-L446 HydrophobicContact CH2-CG 4.12Å; W429-L446 HydrophobicContact CZ2-CD1 3.67Å; W429-L446 HydrophobicContact CZ3-CD1 3.81Å; W429-L446 HydrophobicContact CZ3-CD2 3.99Å; L432-L446 HydrophobicContact CD1-CD1 4.33Å; N442-L446 WeakPolarHBondContact O-CB 3.36Å; N442-L446 PolarHBondContact O-N 2.85Å; M443-L446 PolarHBondContact O-N 3.31Å; L446-H448 VanDerWaalsContact C-N 3.29Å; L446-H448 PolarHBondContact O-N 2.88Å; L446-T449 PolarHBondContact O-N 3.4Å; L446-T449 VanDerWaalsContact O-N 3.12Å; L446-L450 HydrophobicContact CD1-CD1 3.83Å; L446-L450 HydrophobicContact CD1-CG 4.13Å; L446-L450 HydrophobicContact CG-CD1 3.89Å; L446-L450 WeakPolarHBondContact O-CG 3.42Å; L446-L450 PolarHBondContact O-N 3Å; L446-I512 HydrophobicContact CD2-CD1 4.4Å; L446-I600 HydrophobicContact CD2-CD1 4.15Å; L446-F613 HydrophobicContact CD2-CZ 4.44Å
447V98.6Very high96.1Very high4 Ų451.9 Ų51.92%0.02426%0.259CS..Hα-helixtrans-58.7-43.1176.7166.80000111.2M443 T449 L450 T451 L516 V590 K593 I600M443-V447 WeakPolarHBondContact O-CB 3.29Å; M443-V447 WeakPolarHBondContact O-CG2 3.43Å; M443-V447 PolarHBondContact O-N 3.1Å; V447-T449 VanDerWaalsContact C-N 3.33Å; V447-T449 PolarHBondContact O-N 3.32Å; V447-L450 PolarHBondContact O-N 3.36Å; V447-T451 WeakPolarHBondContact O-CB 3.44Å; V447-T451 WeakPolarHBondContact O-CG2 3.43Å; V447-T451 PolarHBondContact O-N 3.05Å; V447-T451 PolarHBondContact O-OG1 2.96Å; V447-L516 HydrophobicContact CG1-CD2 4.35Å; V447-L516 HydrophobicContact CG2-CD2 4.26Å; V447-V590 HydrophobicContact CG1-CB 4.31Å; V447-V590 HydrophobicContact CG1-CG1 4.04Å; V447-V590 HydrophobicContact CG1-CG2 3.91Å; V447-V590 HydrophobicContact CG2-CG1 4.44Å; V447-K593 HydrophobicContact CB-CD 4.14Å; V447-K593 HydrophobicContact CG1-CD 4.03Å; V447-K593 HydrophobicContact CG2-CB 4.06Å; V447-I600 HydrophobicContact CG2-CD1 3.79Å; V447-I600 HydrophobicContact CG2-CG1 4.11Å; V447-I600 HydrophobicContact CG2-CG2 3.88Å
448H97.8Very high96.1Very high102 Ų10247.3 Ų47.347%0.47224%0.242SC..Hα-helixtrans-57.3-48.6175.7177.164.9000110.5G444 N445 L446 L450 T451 N452G444-H448 VanDerWaalsContact O-CB 3.23Å; G444-H448 WeakPolarHBondContact O-CB 3.3Å; G444-H448 PolarHBondContact O-N 3.41Å; N445-H448 PolarHBondContact O-N 2.9Å; L446-H448 VanDerWaalsContact C-N 3.29Å; L446-H448 PolarHBondContact O-N 2.88Å; H448-L450 PolarHBondContact O-N 3.07Å; H448-T451 CarbonylContact O-C 3.57Å; H448-T451 PolarHBondContact O-N 2.97Å; H448-T451 VanDerWaalsContact O-N 3.12Å; H448-T451 PolarHBondContact O-OG1 3.14Å; H448-N452 WeakPolarHBondContact O-CA 3.29Å; H448-N452 WeakPolarHBondContact O-CB 3.31Å; H448-N452 PolarHBondContact O-N 3.48Å
449T97.3Very high96.2Very high21 Ų2147.5 Ų47.513%0.12924%0.243CC..Hα-helixtrans-61.6-42.1179.7-52.50000112.4A424 K428 N445 L446 V447 T451A424-T449 HydrophobicContact CB-CG2 4.28Å; A424-T449 WeakPolarHBondContact O-CG2 3.37Å; K428-T449 HydrophobicContact CB-CG2 3.84Å; K428-T449 WeakPolarHBondContact CE-OG1 3.21Å; K428-T449 HydrophobicContact CG-CG2 4.06Å; N445-T449 WeakPolarHBondContact O-CB 3.47Å; N445-T449 PolarHBondContact O-N 3.42Å; N445-T449 PolarHBondContact O-OG1 3Å; L446-T449 PolarHBondContact O-N 3.4Å; L446-T449 VanDerWaalsContact O-N 3.12Å; V447-T449 VanDerWaalsContact C-N 3.33Å; V447-T449 PolarHBondContact O-N 3.32Å; T449-T451 PolarHBondContact O-N 3.26Å
450L98Very high96.3Very high2 Ų242.5 Ų42.51%0.0122%0.22CC..Hα-helixtrans-67.1-23.4178.2-66.9165000113I425 L446 V447 H448 R453 I512 L516 G517I425-L450 HydrophobicContact CD1-CD2 4.16Å; I425-L450 HydrophobicContact CG1-CD2 4.25Å; I425-L450 HydrophobicContact CG2-CD2 3.82Å; L446-L450 HydrophobicContact CD1-CD1 3.83Å; L446-L450 HydrophobicContact CD1-CG 4.13Å; L446-L450 HydrophobicContact CG-CD1 3.89Å; L446-L450 WeakPolarHBondContact O-CG 3.42Å; L446-L450 PolarHBondContact O-N 3Å; V447-L450 PolarHBondContact O-N 3.36Å; H448-L450 PolarHBondContact O-N 3.07Å; L450-R453 PolarHBondContact O-NH1 3.41Å; L450-I512 HydrophobicContact CD1-CD1 3.89Å; L450-I512 HydrophobicContact CD1-CG1 3.89Å; L450-I512 HydrophobicContact CD1-CG2 4.18Å; L450-L516 HydrophobicContact CB-CB 4.48Å; L450-L516 HydrophobicContact CB-CD2 4.12Å; L450-L516 HydrophobicContact CB-CG 4.1Å; L450-L516 HydrophobicContact CD1-CD2 4.03Å; L450-G517 CarbonylContact O-C 3.58Å; L450-G517 WeakPolarHBondContact O-CA 3.47Å
451T96.5Very high96.3Very high38 Ų3838.3 Ų38.323%0.23320%0.197CC..Hα-helixtrans-111.6-7.3-175.5570000114V447 H448 T449 R453 L516V447-T451 WeakPolarHBondContact O-CB 3.44Å; V447-T451 WeakPolarHBondContact O-CG2 3.43Å; V447-T451 PolarHBondContact O-N 3.05Å; V447-T451 PolarHBondContact O-OG1 2.96Å; H448-T451 CarbonylContact O-C 3.57Å; H448-T451 PolarHBondContact O-N 2.97Å; H448-T451 VanDerWaalsContact O-N 3.12Å; H448-T451 PolarHBondContact O-OG1 3.14Å; T449-T451 PolarHBondContact O-N 3.26Å; T451-R453 PolarHBondContact O-N 3.41Å; T451-L516 HydrophobicContact CG2-CD1 3.65Å; T451-L516 HydrophobicContact CG2-CD2 4.19Å; T451-L516 HydrophobicContact CG2-CG 3.73Å
452N93Very high96.3Very high111 Ų11138.2 Ų38.259%0.59420%0.197SC*.  trans-77.581.2-177.6-175.240.7000111.2H448H448-N452 WeakPolarHBondContact O-CA 3.29Å; H448-N452 WeakPolarHBondContact O-CB 3.31Å; H448-N452 PolarHBondContact O-N 3.48Å
453R92.8Very high96.3Very high40 Ų4035 Ų3515%0.15118%0.18CC..SBendtrans-143157.8175.559.3-172.9-178.2-86.11.4110.9L450 T451 L516 G517 E519L450-R453 PolarHBondContact O-NH1 3.41Å; T451-R453 PolarHBondContact O-N 3.41Å; R453-L516 PolarHBondContact NH1-O 2.83Å; R453-G517 PolarHBondContact NH1-O 3.08Å; R453-E519 IonicContact CZ-OE1 2.71Å; R453-E519 VanDerWaalsContact CZ-OE1 3.28Å; R453-E519 IonicContact CZ-OE2 3.46Å; R453-E519 IonicContact NE-OE1 2.67Å; R453-E519 PolarHBondContact NE-OE1 2.73Å; R453-E519 IonicContact NE-OE2 2.6Å; R453-E519 PolarHBondContact NE-OE2 3.11Å; R453-E519 VanDerWaalsContact NE-OE2 3.13Å; R453-E519 IonicContact NH2-OE1 2.63Å; R453-E519 PolarHBondContact NH2-OE1 3.18Å; R453-E519 IonicContact NH2-OE2 3.99Å
454R91.9Very high96.1Very high45 Ų4535.2 Ų35.217%0.1718%0.181CC..  trans-67.6132.8179.7-67.7-174-178.4-72.4-7.1109.9Y363 G402 G456 E457Y363-R454 PolarHBondContact OH-NH1 3.27Å; G402-R454 PolarHBondContact O-NE 3.23Å; G402-R454 PolarHBondContact O-NH2 2.98Å; G402-R454 VanDerWaalsContact O-NH2 3.13Å; R454-G456 PolarHBondContact O-N 2.72Å; R454-E457 HydrophobicContact CB-CB 4.08Å; R454-E457 HydrophobicContact CB-CG 4.16Å; R454-E457 VanDerWaalsContact CD-OE1 3.23Å; R454-E457 WeakPolarHBondContact CD-OE1 3.25Å; R454-E457 PolarHBondContact O-N 3.42Å
455Y91.4Very high95.9Very high187 Ų18734.5 Ų34.573%0.73317%0.173SC*.THydrogen-bonded Turntrans-64.7130-179.2-177.7-108.8000110.7L22 E457L22-Y455 HydrophobicContact CD1-CD1 3.41Å; L22-Y455 VanDerWaalsContact CD1-CD1 3.41Å; L22-Y455 HydrophobicContact CD1-CE1 3.45Å; L22-Y455 VanDerWaalsContact CD1-CE1 3.45Å; L22-Y455 HydrophobicContact CG-CD1 4.18Å; Y455-E457 VanDerWaalsContact C-N 3.29Å; Y455-E457 PolarHBondContact O-N 3.25Å
456G91.9Very high95.6Very high29 Ų2931.6 Ų31.630%0.29916%0.158SC..THydrogen-bonded Turntrans76.49.1-178.100000115.2R408 R454R408-G456 PolarHBondContact NH1-O 3.19Å; R454-G456 PolarHBondContact O-N 2.72Å
457E95.7Very high95Very high11 Ų1134.1 Ų34.15%0.05117%0.171CC..SBendtrans-113.6102.9170.8-63.8-155.9-112.700108.8T405 L406 C407 R408 R420 R454 Y455 N459T405-E457 PolarHBondContact N-OE1 3.11Å; T405-E457 PolarHBondContact N-OE2 3.15Å; L406-E457 PolarHBondContact N-OE2 3.16Å; C407-E457 WeakPolarHBondContact CA-OE2 3.31Å; C407-E457 HydrophobicContact CB-CB 4Å; C407-E457 HydrophobicContact CB-CG 4.37Å; C407-E457 PolarHBondContact N-OE2 3.38Å; R408-E457 HydrophobicContact CG-CG 3.97Å; R420-E457 IonicContact CZ-OE2 3.5Å; R420-E457 VanDerWaalsContact NH2-CD 3.27Å; R420-E457 IonicContact NH2-OE1 2.86Å; R420-E457 IonicContact NH2-OE2 3.7Å; R420-E457 PolarHBondContact NH2-OE2 2.84Å; R454-E457 HydrophobicContact CB-CB 4.08Å; R454-E457 HydrophobicContact CB-CG 4.16Å; R454-E457 VanDerWaalsContact CD-OE1 3.23Å; R454-E457 WeakPolarHBondContact CD-OE1 3.25Å; R454-E457 PolarHBondContact O-N 3.42Å; Y455-E457 VanDerWaalsContact C-N 3.29Å; Y455-E457 PolarHBondContact O-N 3.25Å; E457-N459 PolarHBondContact O-OD1 2.88Å
458P96Very high94.3Very high34 Ų3434.8 Ų34.822%0.22117%0.174CC..  trans-64.9141.1-171.9-25.536.4000114.2D418 Y419 R420 E519D418-P458 WeakPolarHBondContact O-CB 3.49Å; D418-P458 WeakPolarHBondContact O-CD 3.5Å; D418-P458 VanDerWaalsContact O-CG 3.31Å; D418-P458 WeakPolarHBondContact O-CG 3.47Å; Y419-P458 VanDerWaalsContact CA-O 3.29Å; Y419-P458 WeakPolarHBondContact CA-O 3.5Å; Y419-P458 HydrophobicContact CD1-CB 3.35Å; Y419-P458 HydrophobicContact CE1-CB 3.61Å; Y419-P458 HydrophobicContact CG-CB 4.14Å; R420-P458 PolarHBondContact N-O 2.9Å; P458-E519 WeakPolarHBondContact CA-OE2 3.18Å; P458-E519 HydrophobicContact CB-CB 3.89Å; P458-E519 HydrophobicContact CB-CG 4.2Å
459N96.7Very high93.6Very high18 Ų1829.9 Ų29.910%0.09615%0.151CC..EExtended strand (participates in β ladder)trans-114.8143.1176-79.829000112.2R420 A422 E457 E519 G520R420-N459 WeakPolarHBondContact CG-OD1 3.43Å; R420-N459 CarbonylContact O-C 3.59Å; R420-N459 VanDerWaalsContact O-CA 3.3Å; R420-N459 WeakPolarHBondContact O-CA 3.32Å; A422-N459 HydrophobicContact CB-CB 4.18Å; E457-N459 PolarHBondContact O-OD1 2.88Å; N459-E519 PolarHBondContact N-OE2 3.15Å; N459-E519 PolarHBondContact O-N 2.76Å; N459-G520 PolarHBondContact O-N 3.01Å; N459-G520 VanDerWaalsContact O-N 3.11Å
460I98Very high93Very high0 Ų031.2 Ų31.20%016%0.157CC..EExtended strand (participates in β ladder)trans-90.9115.1162.8-54.7-55.7000108.6L183 I185 I396 Y419 R420 L421 A422 L522L183-I460 HydrophobicContact CD2-CD1 4.01Å; I185-I460 HydrophobicContact CD1-CD1 4.13Å; I185-I460 HydrophobicContact CD1-CG1 4.28Å; I185-I460 HydrophobicContact CD1-CG2 4.07Å; I396-I460 HydrophobicContact CD1-CG1 4.23Å; I396-I460 HydrophobicContact CG2-CG1 4.04Å; Y419-I460 HydrophobicContact CD1-CD1 3.44Å; Y419-I460 VanDerWaalsContact CD1-CD1 3.44Å; Y419-I460 HydrophobicContact CD1-CG1 4.21Å; Y419-I460 HydrophobicContact CD2-CD1 4.25Å; Y419-I460 HydrophobicContact CE1-CD1 4.02Å; Y419-I460 HydrophobicContact CG-CD1 3.61Å; Y419-I460 HydrophobicContact CG-CG1 4.08Å; R420-I460 PolarHBondContact O-N 3.11Å; L421-I460 HydrophobicContact CD2-CB 3.82Å; L421-I460 HydrophobicContact CD2-CG1 4.29Å; L421-I460 HydrophobicContact CD2-CG2 4.11Å; A422-I460 WeakPolarHBondContact CB-O 3.42Å; A422-I460 PolarHBondContact N-O 3.43Å; I460-L522 HydrophobicContact CG2-CB 3.53Å
461A97.9Very high91.9Very high1 Ų133.8 Ų33.81%0.00817%0.173CC..EExtended strand (participates in β ladder)trans-93.6143.6177.700000111.6I425 T513 G517 G520 Y521 L522I425-A461 HydrophobicContact CD1-CB 3.8Å; A461-T513 HydrophobicContact CB-CG2 3.97Å; A461-G517 VanDerWaalsContact CB-C 3.49Å; A461-G520 PolarHBondContact N-O 2.84Å; A461-Y521 CarbonylContact O-C 3.5Å; A461-Y521 VanDerWaalsContact O-CA 3.31Å; A461-Y521 WeakPolarHBondContact O-CA 3.43Å; A461-Y521 WeakPolarHBondContact O-CD2 3.11Å; A461-L522 PolarHBondContact O-N 2.78Å
462Y98.1Very high91.1Very high1 Ų136 Ų360%0.00420%0.203CC..  trans-157.8164.2178.658.7-76.7000110.4L421 M423 I425 P426 C465 L522L421-Y462 HydrophobicContact CB-CE1 4.02Å; L421-Y462 HydrophobicContact CD2-CE1 4.39Å; M423-Y462 WeakPolarHBondContact CG-OH 3.26Å; I425-Y462 WeakPolarHBondContact CG2-O 3.29Å; P426-Y462 HydrophobicContact CB-CD2 4.38Å; P426-Y462 HydrophobicContact CB-CE2 4.22Å; P426-Y462 HydrophobicContact CG-CD2 4.08Å; P426-Y462 HydrophobicContact CG-CE2 3.59Å; Y462-C465 HydrophobicContact CD2-CB 3.88Å; Y462-C465 HydrophobicContact CE2-CB 3.56Å; Y462-L522 WeakPolarHBondContact CB-O 3.27Å; Y462-L522 HydrophobicContact CD2-CD2 4.29Å; Y462-L522 HydrophobicContact CG-CD2 4.06Å
463T97.4Very high90.7Very high6 Ų633 Ų334%0.03719%0.187CC..SBendtrans-107.8-24.2-178.454.50000112.8I509 R510 T513 N527T463-I509 HydrophobicContact CG2-CG2 3.67Å; T463-R510 HydrophobicContact CG2-CG 4.15Å; T463-T513 HydrophobicContact CG2-CG2 3.82Å; T463-T513 WeakPolarHBondContact CG2-OG1 3.37Å; T463-N527 PolarHBondContact OG1-ND2 3.18Å; T463-N527 VanDerWaalsContact OG1-ND2 3.17Å
464E94.1Very high90.5Very high6 Ų633.5 Ų33.53%0.02819%0.19CC..  trans-157131.3-179178.6-178.411900106.9Q468 A469 T475 L476E464-Q468 HydrophobicContact CG-CB 4.26Å; E464-A469 HydrophobicContact CG-CB 4.45Å; E464-T475 VanDerWaalsContact OE2-CA 3.24Å; E464-T475 WeakPolarHBondContact OE2-CA 3.37Å; E464-T475 WeakPolarHBondContact OE2-CB 3.33Å; E464-L476 WeakPolarHBondContact OE2-CB 3.44Å; E464-L476 PolarHBondContact OE2-N 3.29Å
465C93.8Very high90.5Very high4 Ų431.5 Ų31.53%0.02718%0.183CC..  trans-115.2-174162.472.70000110.3E187 Y462 D467 Q468 A469 L522E187-C465 VanDerWaalsContact OE2-CA 3.27Å; E187-C465 WeakPolarHBondContact OE2-CA 3.2Å; E187-C465 VanDerWaalsContact OE2-CB 3.27Å; E187-C465 WeakPolarHBondContact OE2-CB 3.41Å; Y462-C465 HydrophobicContact CD2-CB 3.88Å; Y462-C465 HydrophobicContact CE2-CB 3.56Å; C465-D467 PolarHBondContact O-N 3.48Å; C465-D467 PolarHBondContact SG-N 3.44Å; C465-Q468 PolarHBondContact O-N 3.06Å; C465-Q468 PolarHBondContact SG-OE1 3.32Å; C465-A469 PolarHBondContact O-N 2.91Å; C465-L522 HydrophobicContact CB-CD2 4.34Å
466H91.6Very high90.7Very high2 Ų222.9 Ų22.91%0.00915%0.149CC..THydrogen-bonded Turntrans-51.9-39.6174.568.3-83.3000113.7E187 M224 F235 Y237 Q468 A469 L470 F524E187-H466 IonicContact OE1-CE1 3.46Å; E187-H466 IonicContact OE1-CG 3.85Å; E187-H466 IonicContact OE1-ND1 3.34Å; E187-H466 PolarHBondContact OE1-ND1 3.31Å; E187-H466 PolarHBondContact OE2-N 3.42Å; E187-H466 VanDerWaalsContact OE2-N 3.16Å; E187-H466 IonicContact OE2-ND1 3.71Å; M224-H466 HydrophobicContact CE-CB 3.71Å; M224-H466 HydrophobicContact SD-CB 3.72Å; M224-H466 PolarHBondContact SD-ND1 3.46Å; F235-H466 HydrophobicContact CD1-CB 4.47Å; F235-H466 HydrophobicContact CE1-CB 4.43Å; Y237-H466 AromaticContact CE2-NE2 3.47Å; Y237-H466 WeakPolarHBondContact CE2-NE2 3.45Å; Y237-H466 AromaticContact CZ-NE2 3.5Å; Y237-H466 PolarHBondContact OH-CE1 2.89Å; Y237-H466 PolarHBondContact OH-NE2 2.45Å; H466-Q468 PolarHBondContact O-N 3.34Å; H466-A469 PolarHBondContact O-N 2.61Å; H466-A469 VanDerWaalsContact O-N 3.15Å; H466-L470 WeakPolarHBondContact O-CG 3.37Å; H466-L470 PolarHBondContact O-N 3.32Å; H466-F524 HydrophobicContact CB-CD2 4.24Å; H466-F524 HydrophobicContact CB-CE1 4.39Å; H466-F524 HydrophobicContact CB-CE2 3.74Å; H466-F524 HydrophobicContact CB-CZ 3.8Å
467D87.5Confident90.8Very high55 Ų5521.6 Ų21.629%0.29414%0.136SC..THydrogen-bonded Turntrans-61.1-45.8-179.1-72.6-35.4000112.9C465 A469 L470C465-D467 PolarHBondContact O-N 3.48Å; C465-D467 PolarHBondContact SG-N 3.44Å; D467-A469 PolarHBondContact O-N 3.29Å; D467-L470 PolarHBondContact O-N 3.1Å
468Q83.2Confident90.8Very high17 Ų1721.5 Ų21.58%0.07914%0.135CC..THydrogen-bonded Turntrans-73.1-17.6179-69.580.952.700112.4P426 I430 E464 C465 H466P426-Q468 HydrophobicContact CB-CG 4.36Å; I430-Q468 HydrophobicContact CD1-CB 4.11Å; I430-Q468 HydrophobicContact CD1-CG 3.43Å; I430-Q468 VanDerWaalsContact CD1-CG 3.43Å; E464-Q468 HydrophobicContact CG-CB 4.26Å; C465-Q468 PolarHBondContact O-N 3.06Å; C465-Q468 PolarHBondContact SG-OE1 3.32Å; H466-Q468 PolarHBondContact O-N 3.34Å
469A83.4Confident90.7Very high0 Ų022.8 Ų22.80%014%0.136CC..THydrogen-bonded Turntrans-88.7-6.4177.300000113.4E464 C465 H466 D467 T475 F524 W534 L535E464-A469 HydrophobicContact CG-CB 4.45Å; C465-A469 PolarHBondContact O-N 2.91Å; H466-A469 PolarHBondContact O-N 2.61Å; H466-A469 VanDerWaalsContact O-N 3.15Å; D467-A469 PolarHBondContact O-N 3.29Å; A469-T475 HydrophobicContact CB-CG2 4.07Å; A469-F524 HydrophobicContact CB-CD1 3.8Å; A469-F524 HydrophobicContact CB-CE1 3.58Å; A469-W534 CarbonylContact O-C 3.48Å; A469-W534 WeakPolarHBondContact O-CA 3.38Å; A469-W534 WeakPolarHBondContact O-CB 3.46Å; A469-L535 PolarHBondContact O-N 2.73Å
470L83.2Confident90.7Very high48 Ų4822.2 Ų22.225%0.25113%0.132SC..BIsolated β-bridgetrans-69.9153.8-177.2-73.8174.1000114.1F235 H466 D467 G472 D473F235-L470 HydrophobicContact CD1-CD2 4.49Å; F235-L470 HydrophobicContact CD2-CD2 3.8Å; F235-L470 HydrophobicContact CE1-CD2 3.85Å; F235-L470 HydrophobicContact CE2-CD2 3.06Å; F235-L470 HydrophobicContact CE2-CG 4.47Å; F235-L470 HydrophobicContact CG-CD2 4.45Å; F235-L470 HydrophobicContact CZ-CD2 3.06Å; F235-L470 HydrophobicContact CZ-CG 4.35Å; H466-L470 WeakPolarHBondContact O-CG 3.37Å; H466-L470 PolarHBondContact O-N 3.32Å; D467-L470 PolarHBondContact O-N 3.1Å; L470-G472 PolarHBondContact O-N 3.11Å; L470-D473 PolarHBondContact O-N 2.71Å
471V75.4Confident90.6Very high57 Ų5722.3 Ų22.335%0.34513%0.133SC..THydrogen-bonded Turntrans-52.1126.5168.363.90000110.8W534 L535 D536V471-W534 VanDerWaalsContact CA-CD1 3.46Å; V471-W534 VanDerWaalsContact CB-CD1 3.43Å; V471-W534 HydrophobicContact CB-CG 4.24Å; V471-W534 HydrophobicContact CG2-CG 4.49Å; V471-L535 PolarHBondContact N-O 3.12Å; V471-D536 HydrophobicContact CB-CB 4.04Å; V471-D536 HydrophobicContact CG1-CB 4.31Å; V471-D536 WeakPolarHBondContact CG1-OD1 3.37Å; V471-D536 HydrophobicContact CG2-CB 4.49Å
472G80.5Confident90.5Very high83 Ų8325.3 Ų25.386%0.85615%0.149SC*.THydrogen-bonded Turntrans110.7-19.2-171.500000112.9L470L470-G472 PolarHBondContact O-N 3.11Å
473D84.5Confident90.3Very high49 Ų4931.2 Ų31.226%0.26217%0.174SC..SBendtrans-123.4-174.6167.1-145.6-31.9000110.9L470 W479L470-D473 PolarHBondContact O-N 2.71Å; D473-W479 WeakPolarHBondContact OD1-CZ2 3.32Å; D473-W479 PolarHBondContact OD1-NE1 2.89Å; D473-W479 VanDerWaalsContact OD1-NE1 3.08Å
474K87.8Confident90.3Very high51 Ų5132.9 Ų32.922%0.22218%0.182CC..  trans-124.8142.9175.8-61.8177.7167.6-1680109.6F478 W479 D482K474-F478 HydrophobicContact CB-CB 4.29Å; K474-F478 HydrophobicContact CB-CD1 4.18Å; K474-F478 HydrophobicContact CD-CD1 3.75Å; K474-F478 HydrophobicContact CD-CE1 4.37Å; K474-F478 HydrophobicContact CG-CD1 3.86Å; K474-W479 HydrophobicContact CB-CD2 4.05Å; K474-W479 HydrophobicContact CB-CG 3.96Å; K474-W479 HydrophobicContact CB-CZ2 4.4Å; K474-W479 HydrophobicContact CD-CD2 3.96Å; K474-W479 HydrophobicContact CD-CE3 4Å; K474-W479 HydrophobicContact CD-CG 4.46Å; K474-W479 HydrophobicContact CD-CH2 4.34Å; K474-W479 HydrophobicContact CD-CZ2 4.31Å; K474-W479 HydrophobicContact CD-CZ3 4.2Å; K474-W479 HydrophobicContact CG-CD2 4.49Å; K474-W479 HydrophobicContact CG-CZ2 4.41Å; K474-W479 PolarHBondContact O-NE1 2.61Å; K474-W479 VanDerWaalsContact O-NE1 3.14Å; K474-D482 IonicContact NZ-OD1 3.23Å; K474-D482 IonicContact NZ-OD2 2.81Å; K474-D482 PolarHBondContact NZ-OD2 3.34Å
475T92.2Very high90.3Very high2 Ų232.8 Ų32.81%0.01218%0.181CC..  trans-58.3156.3165.453.40000110.8E464 A469 S477 F478 W479 H531 E533E464-T475 VanDerWaalsContact OE2-CA 3.24Å; E464-T475 WeakPolarHBondContact OE2-CA 3.37Å; E464-T475 WeakPolarHBondContact OE2-CB 3.33Å; A469-T475 HydrophobicContact CB-CG2 4.07Å; T475-S477 VanDerWaalsContact C-N 3.27Å; T475-S477 PolarHBondContact O-N 3.38Å; T475-S477 PolarHBondContact OG1-OG 3.47Å; T475-S477 VanDerWaalsContact OG1-OG 3.13Å; T475-F478 CarbonylContact O-C 3.4Å; T475-F478 PolarHBondContact O-N 3.08Å; T475-F478 WeakPolarHBondContact OG1-CB 3.31Å; T475-W479 PolarHBondContact O-N 3.41Å; T475-H531 PolarHBondContact OG1-O 3.28Å; T475-E533 WeakPolarHBondContact CG2-O 3.48Å; T475-E533 PolarHBondContact OG1-O 2.94Å
476L95Very high90.3Very high7 Ų737.9 Ų37.94%0.03720%0.201CC..Hα-helixtrans-53.8-44.8179.2177.961.9000111.7L433 E464 F478 W479 L480 I509 R510L433-L476 HydrophobicContact CD1-CD1 3.46Å; L433-L476 VanDerWaalsContact CD1-CD1 3.46Å; E464-L476 WeakPolarHBondContact OE2-CB 3.44Å; E464-L476 PolarHBondContact OE2-N 3.29Å; L476-F478 VanDerWaalsContact C-N 3.32Å; L476-F478 PolarHBondContact O-N 2.79Å; L476-W479 PolarHBondContact O-N 3.04Å; L476-L480 HydrophobicContact CD1-CD1 4.14Å; L476-L480 HydrophobicContact CG-CD1 4.12Å; L476-L480 WeakPolarHBondContact O-CB 3.23Å; L476-L480 WeakPolarHBondContact O-CD1 3.39Å; L476-L480 VanDerWaalsContact O-CG 3.26Å; L476-L480 WeakPolarHBondContact O-CG 3.44Å; L476-L480 PolarHBondContact O-N 2.92Å; L476-L480 VanDerWaalsContact O-N 3.11Å; L476-I509 HydrophobicContact CD1-CD1 3.95Å; L476-I509 HydrophobicContact CD1-CG2 4.24Å; L476-I509 HydrophobicContact CD2-CG2 3.81Å; L476-R510 HydrophobicContact CD2-CG 4.28Å
477S96Very high90.5Very high1 Ų144.6 Ų44.61%0.00723%0.231CC..Hα-helixtrans-59.2-42.9175.554.40000111.6T475 L480 M481 H531T475-S477 VanDerWaalsContact C-N 3.27Å; T475-S477 PolarHBondContact O-N 3.38Å; T475-S477 PolarHBondContact OG1-OG 3.47Å; T475-S477 VanDerWaalsContact OG1-OG 3.13Å; S477-L480 PolarHBondContact O-N 3.4Å; S477-M481 WeakPolarHBondContact O-CB 3.25Å; S477-M481 PolarHBondContact O-N 3.45Å; S477-H531 PolarHBondContact OG-O 3.22Å
478F94.3Very high90.9Very high10 Ų1042.7 Ų42.74%0.04422%0.221CC..Hα-helixtrans-78.4-27.8-176.9-155.2-102.2000112.9K474 T475 L476 L480 D482 M485 Y486 E533 W534K474-F478 HydrophobicContact CB-CB 4.29Å; K474-F478 HydrophobicContact CB-CD1 4.18Å; K474-F478 HydrophobicContact CD-CD1 3.75Å; K474-F478 HydrophobicContact CD-CE1 4.37Å; K474-F478 HydrophobicContact CG-CD1 3.86Å; T475-F478 CarbonylContact O-C 3.4Å; T475-F478 PolarHBondContact O-N 3.08Å; T475-F478 WeakPolarHBondContact OG1-CB 3.31Å; L476-F478 VanDerWaalsContact C-N 3.32Å; L476-F478 PolarHBondContact O-N 2.79Å; F478-L480 VanDerWaalsContact C-N 3.29Å; F478-D482 VanDerWaalsContact O-CA 3.24Å; F478-D482 WeakPolarHBondContact O-CA 3.34Å; F478-D482 PolarHBondContact O-N 3.29Å; F478-M485 HydrophobicContact CD2-SD 4.04Å; F478-Y486 HydrophobicContact CE2-CE2 4.19Å; F478-Y486 AromaticContact CE2-CZ 3.98Å; F478-Y486 HydrophobicContact CZ-CE2 4.38Å; F478-E533 HydrophobicContact CE2-CG 4.46Å; F478-W534 HydrophobicContact CE1-CZ3 4.5Å
479W94.2Very high91.5Very high61 Ų6142.1 Ų42.123%0.23122%0.219CC..Hα-helixtrans-62.4-37.2164.1-86.3119000112.1L433 K434 D473 K474 T475 L476L433-W479 HydrophobicContact CB-CB 4.29Å; L433-W479 HydrophobicContact CB-CG 4.46Å; L433-W479 HydrophobicContact CD1-CB 3.93Å; L433-W479 HydrophobicContact CD1-CG 4.42Å; K434-W479 HydrophobicContact CB-CH2 4.36Å; K434-W479 HydrophobicContact CB-CZ3 4.44Å; K434-W479 HydrophobicContact CD-CH2 4.19Å; K434-W479 HydrophobicContact CG-CH2 4.15Å; K434-W479 HydrophobicContact CG-CZ3 4.47Å; D473-W479 WeakPolarHBondContact OD1-CZ2 3.32Å; D473-W479 PolarHBondContact OD1-NE1 2.89Å; D473-W479 VanDerWaalsContact OD1-NE1 3.08Å; K474-W479 HydrophobicContact CB-CD2 4.05Å; K474-W479 HydrophobicContact CB-CG 3.96Å; K474-W479 HydrophobicContact CB-CZ2 4.4Å; K474-W479 HydrophobicContact CD-CD2 3.96Å; K474-W479 HydrophobicContact CD-CE3 4Å; K474-W479 HydrophobicContact CD-CG 4.46Å; K474-W479 HydrophobicContact CD-CH2 4.34Å; K474-W479 HydrophobicContact CD-CZ2 4.31Å; K474-W479 HydrophobicContact CD-CZ3 4.2Å; K474-W479 HydrophobicContact CG-CD2 4.49Å; K474-W479 HydrophobicContact CG-CZ2 4.41Å; K474-W479 PolarHBondContact O-NE1 2.61Å; K474-W479 VanDerWaalsContact O-NE1 3.14Å; T475-W479 PolarHBondContact O-N 3.41Å; L476-W479 PolarHBondContact O-N 3.04Å
480L96.7Very high92.1Very high5 Ų543.4 Ų43.43%0.02623%0.228CC..Hα-helixtrans-81.7-37.6-175.2-76.4168.4000113.9L433 L476 S477 F478 R501 L505 H506 I509L433-L480 HydrophobicContact CD2-CD2 3.46Å; L433-L480 VanDerWaalsContact CD2-CD2 3.46Å; L433-L480 HydrophobicContact CD2-CG 4.04Å; L476-L480 HydrophobicContact CD1-CD1 4.14Å; L476-L480 HydrophobicContact CG-CD1 4.12Å; L476-L480 WeakPolarHBondContact O-CB 3.23Å; L476-L480 WeakPolarHBondContact O-CD1 3.39Å; L476-L480 VanDerWaalsContact O-CG 3.26Å; L476-L480 WeakPolarHBondContact O-CG 3.44Å; L476-L480 PolarHBondContact O-N 2.92Å; L476-L480 VanDerWaalsContact O-N 3.11Å; S477-L480 PolarHBondContact O-N 3.4Å; F478-L480 VanDerWaalsContact C-N 3.29Å; L480-R501 PolarHBondContact O-NH1 3.38Å; L480-R501 VanDerWaalsContact O-NH1 3.16Å; L480-L505 HydrophobicContact CD1-CB 4.41Å; L480-L505 HydrophobicContact CD2-CB 3.75Å; L480-L505 HydrophobicContact CD2-CD1 3.89Å; L480-L505 HydrophobicContact CD2-CG 4.5Å; L480-H506 HydrophobicContact CD1-CB 3.72Å; L480-I509 HydrophobicContact CD1-CD1 4.28Å
481M96.9Very high92.7Very high2 Ų243.2 Ų43.21%0.0123%0.228CC..Hα-helixtrans-121.5-25.3-168.8-65.4179.9-77.200114.3S477 E484 M485 M489 I499 I503S477-M481 WeakPolarHBondContact O-CB 3.25Å; S477-M481 PolarHBondContact O-N 3.45Å; M481-E484 WeakPolarHBondContact O-CB 3.38Å; M481-E484 PolarHBondContact O-N 3.13Å; M481-M485 HydrophobicContact CB-CG 3.38Å; M481-M485 HydrophobicContact CB-SD 3.88Å; M481-M485 HydrophobicContact CE-CE 3.81Å; M481-M485 HydrophobicContact CE-CG 4.25Å; M481-M485 HydrophobicContact CE-SD 3.92Å; M481-M485 HydrophobicContact CG-CG 4.38Å; M481-M485 HydrophobicContact SD-CG 4.26Å; M481-M489 HydrophobicContact SD-SD 4.29Å; M481-I499 HydrophobicContact CB-CD1 3.92Å; M481-I499 HydrophobicContact CG-CD1 4Å; M481-I499 HydrophobicContact SD-CD1 3.81Å; M481-I499 HydrophobicContact SD-CG2 4.39Å; M481-I503 HydrophobicContact SD-CG1 4.21Å
482D94.3Very high93.7Very high65 Ų6546.8 Ų46.835%0.34825%0.245SC..G310 helixtrans47.1-145.3179.3-154.5-34.6000112.2K474 F478 E484 M485K474-D482 IonicContact NZ-OD1 3.23Å; K474-D482 IonicContact NZ-OD2 2.81Å; K474-D482 PolarHBondContact NZ-OD2 3.34Å; F478-D482 VanDerWaalsContact O-CA 3.24Å; F478-D482 WeakPolarHBondContact O-CA 3.34Å; F478-D482 PolarHBondContact O-N 3.29Å; D482-E484 PolarHBondContact O-N 2.96Å; D482-M485 WeakPolarHBondContact O-CB 3.4Å; D482-M485 VanDerWaalsContact O-CG 3.32Å; D482-M485 WeakPolarHBondContact O-CG 3.46Å; D482-M485 PolarHBondContact O-N 3.42Å
483K94.9Very high94.3Very high124 Ų12444.4 Ų44.454%0.53922%0.215SC..G310 helixtrans-52.5-20.5-179.470.1-179.7-176.9179.30116M485 Y486 F487K483-M485 PolarHBondContact O-N 2.88Å; K483-Y486 HydrophobicContact CB-CD2 4.12Å; K483-Y486 HydrophobicContact CB-CE2 4.31Å; K483-Y486 VanDerWaalsContact O-CD2 3.26Å; K483-Y486 WeakPolarHBondContact O-CD2 3.24Å; K483-Y486 PolarHBondContact O-N 3.03Å; K483-Y486 VanDerWaalsContact O-N 3.16Å; K483-F487 WeakPolarHBondContact O-CD2 3.15Å
484E96.2Very high94.7Very high42 Ų4247 Ų4720%0.19624%0.235CC..G310 helixtrans-63.9-24.1178.3-64.4-59.713800111.2M481 D482 Y486 F487 S488 N496 I498 I499M481-E484 WeakPolarHBondContact O-CB 3.38Å; M481-E484 PolarHBondContact O-N 3.13Å; D482-E484 PolarHBondContact O-N 2.96Å; E484-Y486 PolarHBondContact O-N 3.42Å; E484-F487 PolarHBondContact O-N 3.02Å; E484-F487 VanDerWaalsContact O-N 3.16Å; E484-S488 WeakPolarHBondContact O-CB 3.49Å; E484-S488 PolarHBondContact O-N 2.9Å; E484-N496 PolarHBondContact OE2-ND2 2.84Å; E484-I498 HydrophobicContact CB-CB 4.45Å; E484-I498 HydrophobicContact CB-CG2 4.13Å; E484-I498 HydrophobicContact CG-CB 4.03Å; E484-I498 HydrophobicContact CG-CD1 3.71Å; E484-I498 HydrophobicContact CG-CG1 4.47Å; E484-I498 HydrophobicContact CG-CG2 3.89Å; E484-I499 HydrophobicContact CB-CD1 3.85Å; E484-I499 HydrophobicContact CB-CG1 4.28Å
485M96Very high94.8Very high3 Ų349.9 Ų49.92%0.01526%0.259CS..Hα-helixtrans-57.2-30.4175.7-65.9-177.375.100112.8F478 M481 D482 K483 M489 I499 G530 P532 Y563F478-M485 HydrophobicContact CD2-SD 4.04Å; M481-M485 HydrophobicContact CB-CG 3.38Å; M481-M485 HydrophobicContact CB-SD 3.88Å; M481-M485 HydrophobicContact CE-CE 3.81Å; M481-M485 HydrophobicContact CE-CG 4.25Å; M481-M485 HydrophobicContact CE-SD 3.92Å; M481-M485 HydrophobicContact CG-CG 4.38Å; M481-M485 HydrophobicContact SD-CG 4.26Å; D482-M485 WeakPolarHBondContact O-CB 3.4Å; D482-M485 VanDerWaalsContact O-CG 3.32Å; D482-M485 WeakPolarHBondContact O-CG 3.46Å; D482-M485 PolarHBondContact O-N 3.42Å; K483-M485 PolarHBondContact O-N 2.88Å; M485-M489 HydrophobicContact CB-CG 4.07Å; M485-M489 HydrophobicContact CG-CG 4.48Å; M485-M489 WeakPolarHBondContact O-CB 3.35Å; M485-M489 WeakPolarHBondContact O-CG 3.43Å; M485-I499 HydrophobicContact CG-CD1 4.31Å; M485-G530 WeakPolarHBondContact CE-O 3.11Å; M485-P532 HydrophobicContact CE-CB 3.77Å; M485-P532 HydrophobicContact SD-CB 4.19Å; M485-Y563 HydrophobicContact CE-CE1 3.72Å
486Y93.5Very high95Very high111 Ų11151.2 Ų51.244%0.43527%0.266SS..Hα-helixtrans-74.3-24.8-178.1-57.1-55.2000113.7F478 K483 E484 E533F478-Y486 HydrophobicContact CE2-CE2 4.19Å; F478-Y486 AromaticContact CE2-CZ 3.98Å; F478-Y486 HydrophobicContact CZ-CE2 4.38Å; K483-Y486 HydrophobicContact CB-CD2 4.12Å; K483-Y486 HydrophobicContact CB-CE2 4.31Å; K483-Y486 VanDerWaalsContact O-CD2 3.26Å; K483-Y486 WeakPolarHBondContact O-CD2 3.24Å; K483-Y486 PolarHBondContact O-N 3.03Å; K483-Y486 VanDerWaalsContact O-N 3.16Å; E484-Y486 PolarHBondContact O-N 3.42Å; Y486-E533 HydrophobicContact CE1-CG 4.35Å; Y486-E533 VanDerWaalsContact OH-CG 3.31Å; Y486-E533 WeakPolarHBondContact OH-CG 3.48Å; Y486-E533 PolarHBondContact OH-OE1 3.19Å
487F94.1Very high95Very high144 Ų14457.9 Ų57.963%0.63230%0.301SS*.Hα-helixtrans-119.3-23.3-169.6-48.7-67.3000113.2K483 E484 S493K483-F487 WeakPolarHBondContact O-CD2 3.15Å; E484-F487 PolarHBondContact O-N 3.02Å; E484-F487 VanDerWaalsContact O-N 3.16Å; F487-S493 PolarHBondContact O-OG 3.02Å
488S96.3Very high95.1Very high14 Ų1461.6 Ų61.610%0.09832%0.319CS..Hα-helixtrans-119.17.5-167.7-59.50000113.8E484 N496E484-S488 WeakPolarHBondContact O-CB 3.49Å; E484-S488 PolarHBondContact O-N 2.9Å; S488-N496 PolarHBondContact OG-ND2 3.5Å
489M96.6Very high95.2Very high5 Ų561.1 Ų61.13%0.02532%0.318CS..  trans-86.8-0.5178-70.6-66.2-7800114.4M481 M485 I499 L561 R562 Y563M481-M489 HydrophobicContact SD-SD 4.29Å; M485-M489 HydrophobicContact CB-CG 4.07Å; M485-M489 HydrophobicContact CG-CG 4.48Å; M485-M489 WeakPolarHBondContact O-CB 3.35Å; M485-M489 WeakPolarHBondContact O-CG 3.43Å; M489-I499 HydrophobicContact CG-CD1 4.35Å; M489-I499 HydrophobicContact SD-CD1 3.93Å; M489-I499 HydrophobicContact SD-CG1 4.48Å; M489-I499 HydrophobicContact SD-CG2 3.77Å; M489-L561 CarbonylContact O-C 3.39Å; M489-L561 WeakPolarHBondContact O-CA 3.38Å; M489-R562 HydrophobicContact CE-CB 3.95Å; M489-R562 WeakPolarHBondContact O-CB 3.35Å; M489-R562 VanDerWaalsContact O-CG 3.26Å; M489-R562 WeakPolarHBondContact O-CG 3.33Å; M489-R562 PolarHBondContact O-N 2.95Å; M489-R562 HydrophobicContact SD-CB 4.08Å; M489-Y563 HydrophobicContact CB-CE2 3.77Å; M489-Y563 HydrophobicContact CE-CD1 3.66Å; M489-Y563 HydrophobicContact CE-CD2 3.87Å; M489-Y563 HydrophobicContact CE-CE1 3.61Å; M489-Y563 HydrophobicContact CE-CE2 3.8Å; M489-Y563 HydrophobicContact CE-CG 3.78Å; M489-Y563 HydrophobicContact CG-CE2 4.13Å
490S96.8Very high95.4Very high27 Ų2759.2 Ų59.219%0.18931%0.312CS..BIsolated β-bridgetrans-78.2143.4169.2-176.90000110.7L492 S493 L560 R562S490-L492 PolarHBondContact O-N 3.48Å; S490-L492 PolarHBondContact OG-N 3.45Å; S490-L492 VanDerWaalsContact OG-N 3.08Å; S490-S493 PolarHBondContact O-N 2.83Å; S490-L560 CarbonylContact C-O 3.53Å; S490-L560 WeakPolarHBondContact CA-O 3.39Å; S490-L560 PolarHBondContact OG-O 3.27Å; S490-R562 PolarHBondContact O-NE 3.48Å; S490-R562 VanDerWaalsContact O-NE 3.16Å
491T95.2Very high95.4Very high44 Ų4461.7 Ų61.727%0.2732%0.321SS..SBendtrans-71.2-13.7168.460.10000112.3L560 R562 Y565T491-L560 PolarHBondContact N-O 2.95Å; T491-L560 PolarHBondContact OG1-O 3.01Å; T491-R562 HydrophobicContact CG2-CG 4.09Å; T491-Y565 HydrophobicContact CG2-CE2 4.42Å
492L95.5Very high95.4Very high133 Ų13361.6 Ų61.670%0.69632%0.32SS*.SBendtrans-89-17.9174.5-55.4-179.9000112.6S490 L560S490-L492 PolarHBondContact O-N 3.48Å; S490-L492 PolarHBondContact OG-N 3.45Å; S490-L492 VanDerWaalsContact OG-N 3.08Å; L492-L560 HydrophobicContact CD1-CD2 4.5Å
493S92.8Very high95.6Very high32 Ų3258.6 Ų58.622%0.22430%0.304CS..SBendtrans-69.6147.1174.4-66.10000110.4F487 S490F487-S493 PolarHBondContact O-OG 3.02Å; S490-S493 PolarHBondContact O-N 2.83Å
494P93.4Very high95.8Very high104 Ų10453.2 Ų53.268%0.67528%0.283SS*.PPolyproline II helixtrans-52.7152.4170.5-2534.1000112.1N496P494-N496 PolarHBondContact O-N 3.46Å
495P89.9Confident95.9Very high111 Ų11151.3 Ų51.372%0.72127%0.274SS*.PPolyproline II helixtrans-53.5138.1174.7-2534000111.9
496N96.3Very high96Very high30 Ų3051.1 Ų51.116%0.1627%0.273CS..  trans-129.1118179.4-176.9-49.2000108.8E484 S488 P494 I498 I499 D500E484-N496 PolarHBondContact OE2-ND2 2.84Å; S488-N496 PolarHBondContact OG-ND2 3.5Å; P494-N496 PolarHBondContact O-N 3.46Å; N496-I498 PolarHBondContact O-N 2.78Å; N496-I498 WeakPolarHBondContact OD1-CB 3.43Å; N496-I498 PolarHBondContact OD1-N 2.82Å; N496-I499 HydrophobicContact CB-CB 4.28Å; N496-I499 HydrophobicContact CB-CG1 4.12Å; N496-I499 PolarHBondContact O-N 2.95Å; N496-I499 VanDerWaalsContact O-N 3.1Å; N496-I499 PolarHBondContact OD1-N 3.24Å; N496-D500 PolarHBondContact O-N 3.04Å
497L95.9Very high96.3Very high148 Ų14846 Ų4678%0.77525%0.253SS*.Hα-helixtrans-61.4-27.2-174.9-66176.4000113.6R501L497-R501 WeakPolarHBondContact O-CB 3.24Å; L497-R501 PolarHBondContact O-N 2.98Å
498I97.3Very high96.5Very high78 Ų7839.2 Ų39.240%0.422%0.223SC..Hα-helixtrans-71.9-44.1176.8-65.6167.4000110E484 N496 G502E484-I498 HydrophobicContact CB-CB 4.45Å; E484-I498 HydrophobicContact CB-CG2 4.13Å; E484-I498 HydrophobicContact CG-CB 4.03Å; E484-I498 HydrophobicContact CG-CD1 3.71Å; E484-I498 HydrophobicContact CG-CG1 4.47Å; E484-I498 HydrophobicContact CG-CG2 3.89Å; N496-I498 PolarHBondContact O-N 2.78Å; N496-I498 WeakPolarHBondContact OD1-CB 3.43Å; N496-I498 PolarHBondContact OD1-N 2.82Å; I498-G502 PolarHBondContact O-N 3.23Å
499I97.5Very high96.6Very high1 Ų138.5 Ų38.51%0.00522%0.219CC..Hα-helixtrans-65.9-46.5175.8-62.5-53.5000110.9M481 E484 M485 M489 N496 R501 G502 I503M481-I499 HydrophobicContact CB-CD1 3.92Å; M481-I499 HydrophobicContact CG-CD1 4Å; M481-I499 HydrophobicContact SD-CD1 3.81Å; M481-I499 HydrophobicContact SD-CG2 4.39Å; E484-I499 HydrophobicContact CB-CD1 3.85Å; E484-I499 HydrophobicContact CB-CG1 4.28Å; M485-I499 HydrophobicContact CG-CD1 4.31Å; M489-I499 HydrophobicContact CG-CD1 4.35Å; M489-I499 HydrophobicContact SD-CD1 3.93Å; M489-I499 HydrophobicContact SD-CG1 4.48Å; M489-I499 HydrophobicContact SD-CG2 3.77Å; N496-I499 HydrophobicContact CB-CB 4.28Å; N496-I499 HydrophobicContact CB-CG1 4.12Å; N496-I499 PolarHBondContact O-N 2.95Å; N496-I499 VanDerWaalsContact O-N 3.1Å; N496-I499 PolarHBondContact OD1-N 3.24Å; I499-R501 VanDerWaalsContact C-N 3.33Å; I499-R501 PolarHBondContact O-N 3.02Å; I499-G502 PolarHBondContact O-N 2.95Å; I499-G502 VanDerWaalsContact O-N 3.12Å; I499-I503 HydrophobicContact CG2-CD1 3.7Å; I499-I503 HydrophobicContact CG2-CG1 4.26Å; I499-I503 WeakPolarHBondContact O-CG1 3.5Å; I499-I503 PolarHBondContact O-N 2.92Å
500D96.7Very high96.7Very high21 Ų2138.3 Ų38.311%0.11222%0.218CC..Hα-helixtrans-62.2-42.3179.7-66.5-19.2000111N496 A504 R562 F646N496-D500 PolarHBondContact O-N 3.04Å; D500-A504 VanDerWaalsContact O-CB 3.29Å; D500-A504 WeakPolarHBondContact O-CB 3.35Å; D500-A504 PolarHBondContact O-N 3.44Å; D500-A504 VanDerWaalsContact O-N 3.13Å; D500-R562 IonicContact OD1-NH1 3.68Å; D500-F646 HydrophobicContact CB-CZ 3.94Å
501R97.3Very high96.8Very high56 Ų5637 Ų3721%0.21121%0.209CC..Hα-helixtrans-59.5-48.9170.9172-176.5169.5-83.1-0.4111.1D438 L480 L497 I499 A504 L505D438-R501 IonicContact OD1-CZ 3.48Å; D438-R501 IonicContact OD1-NE 3.87Å; D438-R501 PolarHBondContact OD1-NE 3.11Å; D438-R501 IonicContact OD1-NH2 3.38Å; D438-R501 PolarHBondContact OD1-NH2 2.95Å; D438-R501 IonicContact OD2-CZ 3.82Å; D438-R501 IonicContact OD2-NE 2.67Å; D438-R501 PolarHBondContact OD2-NE 3.19Å; D438-R501 IonicContact OD2-NH2 3.62Å; L480-R501 PolarHBondContact O-NH1 3.38Å; L480-R501 VanDerWaalsContact O-NH1 3.16Å; L497-R501 WeakPolarHBondContact O-CB 3.24Å; L497-R501 PolarHBondContact O-N 2.98Å; I499-R501 VanDerWaalsContact C-N 3.33Å; I499-R501 PolarHBondContact O-N 3.02Å; R501-A504 PolarHBondContact O-N 3.42Å; R501-L505 HydrophobicContact CG-CD1 3.77Å; R501-L505 HydrophobicContact CG-CG 4.31Å; R501-L505 WeakPolarHBondContact O-CB 3.35Å; R501-L505 WeakPolarHBondContact O-CG 3.33Å; R501-L505 PolarHBondContact O-N 2.87Å
502G97.8Very high97Very high0 Ų035 Ų350%020%0.196CC..Hα-helixtrans-65.4-45.3-173.900000112.9I498 I499 A504 L505 H506I498-G502 PolarHBondContact O-N 3.23Å; I499-G502 PolarHBondContact O-N 2.95Å; I499-G502 VanDerWaalsContact O-N 3.12Å; G502-A504 VanDerWaalsContact C-N 3.34Å; G502-A504 PolarHBondContact O-N 3.47Å; G502-L505 PolarHBondContact O-N 3.41Å; G502-H506 WeakPolarHBondContact O-CB 3.44Å; G502-H506 PolarHBondContact O-N 3.01Å
503I98.2Very high97.1Very high3 Ų328.6 Ų28.62%0.01516%0.163CC..Hα-helixtrans-61.1-44.7174.5-68.7174000110.5M481 I499 K507 R562 Y565 L566M481-I503 HydrophobicContact SD-CG1 4.21Å; I499-I503 HydrophobicContact CG2-CD1 3.7Å; I499-I503 HydrophobicContact CG2-CG1 4.26Å; I499-I503 WeakPolarHBondContact O-CG1 3.5Å; I499-I503 PolarHBondContact O-N 2.92Å; I503-K507 WeakPolarHBondContact O-CE 3.42Å; I503-K507 WeakPolarHBondContact O-CG 3.14Å; I503-K507 PolarHBondContact O-N 3.24Å; I503-R562 HydrophobicContact CD1-CB 4.12Å; I503-Y565 HydrophobicContact CD1-CD2 4.39Å; I503-L566 HydrophobicContact CB-CD2 4.48Å; I503-L566 HydrophobicContact CG2-CD2 3.96Å
504A98.4Very high97.4Very high11 Ų1127.1 Ų27.19%0.09115%0.152CC..Hα-helixtrans-61.6-52.4178.700000111.7D500 R501 G502 H506 K507 L508 R676D500-A504 VanDerWaalsContact O-CB 3.29Å; D500-A504 WeakPolarHBondContact O-CB 3.35Å; D500-A504 PolarHBondContact O-N 3.44Å; D500-A504 VanDerWaalsContact O-N 3.13Å; R501-A504 PolarHBondContact O-N 3.42Å; G502-A504 VanDerWaalsContact C-N 3.34Å; G502-A504 PolarHBondContact O-N 3.47Å; A504-H506 PolarHBondContact O-N 3.3Å; A504-K507 PolarHBondContact O-N 3.36Å; A504-L508 WeakPolarHBondContact O-CD1 3.44Å; A504-L508 PolarHBondContact O-N 3.42Å; A504-L508 VanDerWaalsContact O-N 3.1Å; A504-R676 HydrophobicContact CB-CB 3.95Å
505L98.5Very high97.6Very high1 Ų122.1 Ų22.11%0.00512%0.12CC..Hα-helixtrans-66.7-36.5-178.8-70.5179.2000112.8W441 L480 R501 G502 K507 L508 I509W441-L505 HydrophobicContact CH2-CD1 4.25Å; W441-L505 HydrophobicContact CH2-CD2 4.33Å; W441-L505 HydrophobicContact CZ3-CD2 4.26Å; L480-L505 HydrophobicContact CD1-CB 4.41Å; L480-L505 HydrophobicContact CD2-CB 3.75Å; L480-L505 HydrophobicContact CD2-CD1 3.89Å; L480-L505 HydrophobicContact CD2-CG 4.5Å; R501-L505 HydrophobicContact CG-CD1 3.77Å; R501-L505 HydrophobicContact CG-CG 4.31Å; R501-L505 WeakPolarHBondContact O-CB 3.35Å; R501-L505 WeakPolarHBondContact O-CG 3.33Å; R501-L505 PolarHBondContact O-N 2.87Å; G502-L505 PolarHBondContact O-N 3.41Å; L505-K507 VanDerWaalsContact C-N 3.32Å; L505-K507 PolarHBondContact O-N 3.3Å; L505-L508 PolarHBondContact O-N 3.28Å; L505-I509 HydrophobicContact CB-CD1 4.48Å; L505-I509 VanDerWaalsContact O-CB 3.32Å; L505-I509 WeakPolarHBondContact O-CB 3.36Å; L505-I509 WeakPolarHBondContact O-CD1 3.25Å; L505-I509 WeakPolarHBondContact O-CG1 3.5Å; L505-I509 PolarHBondContact O-N 2.87Å
506H98.4Very high98Very high0 Ų016.9 Ų16.90%09%0.086CC..Hα-helixtrans-58.6-45.1176.1-172.5-82.8000111.2L480 G502 A504 R510 N527 L566L480-H506 HydrophobicContact CD1-CB 3.72Å; G502-H506 WeakPolarHBondContact O-CB 3.44Å; G502-H506 PolarHBondContact O-N 3.01Å; A504-H506 PolarHBondContact O-N 3.3Å; H506-R510 WeakPolarHBondContact CE1-CD 3.47Å; H506-R510 WeakPolarHBondContact ND1-CD 3.44Å; H506-R510 WeakPolarHBondContact O-CB 3.33Å; H506-R510 WeakPolarHBondContact O-CG 3.23Å; H506-R510 PolarHBondContact O-N 2.92Å; H506-N527 PolarHBondContact CE1-O 2.85Å; H506-N527 PolarHBondContact NE2-O 2.88Å; H506-N527 PolarHBondContact NE2-OD1 3.27Å; H506-L566 HydrophobicContact CB-CD1 4.45Å; H506-L566 HydrophobicContact CB-CD2 4.06Å
507K98.7Very high98.1Very high4 Ų415.5 Ų15.52%0.0178%0.078CC..Hα-helixtrans-60.2-47.7173.1-68.1-178.3-63.9-169.90112.3I503 A504 L505 R510 F511 L566 F569 S638 F643I503-K507 WeakPolarHBondContact O-CE 3.42Å; I503-K507 WeakPolarHBondContact O-CG 3.14Å; I503-K507 PolarHBondContact O-N 3.24Å; A504-K507 PolarHBondContact O-N 3.36Å; L505-K507 VanDerWaalsContact C-N 3.32Å; L505-K507 PolarHBondContact O-N 3.3Å; K507-R510 PolarHBondContact O-N 3.44Å; K507-F511 VanDerWaalsContact O-CB 3.23Å; K507-F511 WeakPolarHBondContact O-CB 3.36Å; K507-F511 PolarHBondContact O-N 2.9Å; K507-L566 HydrophobicContact CG-CD2 3.78Å; K507-F569 HydrophobicContact CB-CD1 3.76Å; K507-F569 HydrophobicContact CB-CE1 3.58Å; K507-F569 HydrophobicContact CB-CE2 4.46Å; K507-F569 HydrophobicContact CB-CG 4.26Å; K507-F569 HydrophobicContact CB-CZ 3.96Å; K507-F569 HydrophobicContact CD-CB 3.98Å; K507-F569 HydrophobicContact CD-CD1 4.04Å; K507-F569 HydrophobicContact CD-CD2 3.84Å; K507-F569 HydrophobicContact CD-CE2 4.33Å; K507-F569 HydrophobicContact CD-CG 3.67Å; K507-F569 HydrophobicContact CG-CB 4.13Å; K507-F569 HydrophobicContact CG-CD1 3.51Å; K507-F569 HydrophobicContact CG-CD2 4.24Å; K507-F569 HydrophobicContact CG-CE1 3.91Å; K507-F569 HydrophobicContact CG-CG 3.68Å; K507-F569 HydrophobicContact CG-CZ 4.43Å; K507-S638 PolarHBondContact NZ-O 2.93Å; K507-F643 HydrophobicContact CD-CB 4.1Å; K507-F643 PolarHBondContact NZ-O 3.02Å
508L98.8Very high98.1Very high0 Ų08.4 Ų8.40%04%0.042CC..Hα-helixtrans-62.3-46.4-179.3-91.170.4000111.9A504 L505 F511 I512 F611 F613 C678A504-L508 WeakPolarHBondContact O-CD1 3.44Å; A504-L508 PolarHBondContact O-N 3.42Å; A504-L508 VanDerWaalsContact O-N 3.1Å; L505-L508 PolarHBondContact O-N 3.28Å; L508-F511 PolarHBondContact O-N 2.67Å; L508-I512 WeakPolarHBondContact O-CB 3.44Å; L508-I512 VanDerWaalsContact O-CG2 3.27Å; L508-I512 WeakPolarHBondContact O-CG2 3.45Å; L508-I512 PolarHBondContact O-N 3.33Å; L508-F611 HydrophobicContact CG-CD1 4.3Å; L508-F613 HydrophobicContact CB-CD1 4.47Å; L508-F613 HydrophobicContact CB-CE1 3.74Å; L508-F613 HydrophobicContact CB-CZ 3.95Å; L508-F613 HydrophobicContact CD2-CD1 3.77Å; L508-F613 HydrophobicContact CD2-CD2 4.35Å; L508-F613 HydrophobicContact CD2-CE1 3.83Å; L508-F613 HydrophobicContact CD2-CE2 4.4Å; L508-F613 HydrophobicContact CD2-CG 4.03Å; L508-F613 HydrophobicContact CD2-CZ 4.14Å; L508-F613 HydrophobicContact CG-CE1 4.34Å; L508-F613 HydrophobicContact CG-CZ 4.42Å; L508-C678 HydrophobicContact CD1-CB 4.35Å; L508-C678 HydrophobicContact CG-CB 4.24Å
509I98.7Very high98.1Very high0 Ų06.6 Ų6.60%03%0.031CC..Hα-helixtrans-59.8-47.8179.7-72.6169.5000110.9W429 W441 T463 L476 L480 L505 I512 T513W429-I509 HydrophobicContact CD2-CB 4.47Å; W429-I509 HydrophobicContact CD2-CG1 4.25Å; W429-I509 HydrophobicContact CD2-CG2 3.65Å; W429-I509 HydrophobicContact CE3-CB 4.47Å; W429-I509 HydrophobicContact CE3-CD1 4.16Å; W429-I509 HydrophobicContact CE3-CG1 3.78Å; W429-I509 HydrophobicContact CE3-CG2 4.09Å; W429-I509 HydrophobicContact CG-CG2 3.95Å; W429-I509 HydrophobicContact CH2-CB 4.3Å; W429-I509 HydrophobicContact CH2-CG1 3.91Å; W429-I509 HydrophobicContact CH2-CG2 4.38Å; W429-I509 HydrophobicContact CZ2-CB 4.31Å; W429-I509 HydrophobicContact CZ2-CG1 4.37Å; W429-I509 HydrophobicContact CZ2-CG2 3.99Å; W429-I509 HydrophobicContact CZ3-CB 4.42Å; W429-I509 HydrophobicContact CZ3-CD1 4.39Å; W429-I509 HydrophobicContact CZ3-CG1 3.63Å; W429-I509 HydrophobicContact CZ3-CG2 4.46Å; W441-I509 HydrophobicContact CH2-CD1 4.07Å; W441-I509 HydrophobicContact CH2-CG1 4.47Å; T463-I509 HydrophobicContact CG2-CG2 3.67Å; L476-I509 HydrophobicContact CD1-CD1 3.95Å; L476-I509 HydrophobicContact CD1-CG2 4.24Å; L476-I509 HydrophobicContact CD2-CG2 3.81Å; L480-I509 HydrophobicContact CD1-CD1 4.28Å; L505-I509 HydrophobicContact CB-CD1 4.48Å; L505-I509 VanDerWaalsContact O-CB 3.32Å; L505-I509 WeakPolarHBondContact O-CB 3.36Å; L505-I509 WeakPolarHBondContact O-CD1 3.25Å; L505-I509 WeakPolarHBondContact O-CG1 3.5Å; L505-I509 PolarHBondContact O-N 2.87Å; I509-I512 WeakPolarHBondContact O-CG2 3.29Å; I509-T513 VanDerWaalsContact O-CB 3.3Å; I509-T513 WeakPolarHBondContact O-CB 3.33Å; I509-T513 PolarHBondContact O-N 3.35Å; I509-T513 PolarHBondContact O-OG1 2.94Å
510R98.5Very high98.1Very high1 Ų16.6 Ų6.60%0.0043%0.031CC..Hα-helixtrans-68.9-46.1179.7-68.9177.874.2-132.6-0.3111.3T463 L476 H506 K507 I512 T513 H514 Y521 N523 D570T463-R510 HydrophobicContact CG2-CG 4.15Å; L476-R510 HydrophobicContact CD2-CG 4.28Å; H506-R510 WeakPolarHBondContact CE1-CD 3.47Å; H506-R510 WeakPolarHBondContact ND1-CD 3.44Å; H506-R510 WeakPolarHBondContact O-CB 3.33Å; H506-R510 WeakPolarHBondContact O-CG 3.23Å; H506-R510 PolarHBondContact O-N 2.92Å; K507-R510 PolarHBondContact O-N 3.44Å; R510-I512 PolarHBondContact O-N 2.76Å; R510-T513 PolarHBondContact O-N 3.19Å; R510-H514 VanDerWaalsContact O-CB 3.27Å; R510-H514 WeakPolarHBondContact O-CB 3.5Å; R510-H514 PolarHBondContact O-N 3.2Å; R510-Y521 PolarHBondContact NE-OH 2.89Å; R510-N523 PolarHBondContact NH2-OD1 2.99Å; R510-D570 IonicContact CZ-OD1 3.38Å; R510-D570 IonicContact NH1-OD1 3.63Å; R510-D570 PolarHBondContact NH1-OD1 3.33Å; R510-D570 VanDerWaalsContact NH2-CG 3.29Å; R510-D570 IonicContact NH2-OD1 2.61Å; R510-D570 PolarHBondContact NH2-OD1 2.95Å; R510-D570 IonicContact NH2-OD2 2.68Å
511F98.8Very high98.2Very high0 Ų05.6 Ų5.60%03%0.026CC..Hα-helixtrans-67.7-40.4-176.8-166.3-132.7000112.9K507 L508 T513 H514 T515 F569 M573 W582 F609 F611 L636 C678 A680K507-F511 VanDerWaalsContact O-CB 3.23Å; K507-F511 WeakPolarHBondContact O-CB 3.36Å; K507-F511 PolarHBondContact O-N 2.9Å; L508-F511 PolarHBondContact O-N 2.67Å; F511-T513 VanDerWaalsContact C-N 3.34Å; F511-T513 PolarHBondContact O-N 3.24Å; F511-H514 PolarHBondContact O-N 3.37Å; F511-T515 HydrophobicContact CD2-CG2 3.83Å; F511-T515 HydrophobicContact CE1-CG2 4.48Å; F511-T515 HydrophobicContact CE2-CG2 3.56Å; F511-T515 HydrophobicContact CG-CG2 4.39Å; F511-T515 HydrophobicContact CZ-CG2 3.93Å; F511-T515 WeakPolarHBondContact O-CB 3.43Å; F511-T515 VanDerWaalsContact O-CG2 3.27Å; F511-T515 WeakPolarHBondContact O-CG2 3.31Å; F511-T515 PolarHBondContact O-N 3.14Å; F511-T515 PolarHBondContact O-OG1 3.24Å; F511-F569 HydrophobicContact CB-CE1 3.95Å; F511-F569 HydrophobicContact CB-CZ 3.92Å; F511-F569 HydrophobicContact CD1-CZ 4.45Å; F511-F569 HydrophobicContact CD2-CZ 4.49Å; F511-F569 HydrophobicContact CG-CE1 4.46Å; F511-F569 HydrophobicContact CG-CZ 4.07Å; F511-M573 HydrophobicContact CB-SD 4.38Å; F511-M573 HydrophobicContact CD2-CB 4.41Å; F511-M573 HydrophobicContact CD2-CG 3.76Å; F511-M573 HydrophobicContact CD2-SD 3.79Å; F511-M573 HydrophobicContact CE2-CG 4.12Å; F511-W582 HydrophobicContact CE2-CH2 4.37Å; F511-W582 HydrophobicContact CE2-CZ2 4.28Å; F511-F609 AromaticContact CE1-CD1 3.88Å; F511-F609 HydrophobicContact CE1-CD1 3.88Å; F511-F609 HydrophobicContact CE1-CE1 4.33Å; F511-F609 HydrophobicContact CE2-CE1 4.35Å; F511-F609 AromaticContact CZ-CD1 3.76Å; F511-F609 HydrophobicContact CZ-CD1 3.76Å; F511-F609 AromaticContact CZ-CE1 3.73Å; F511-F609 HydrophobicContact CZ-CE1 3.73Å; F511-F611 HydrophobicContact CB-CE1 4.04Å; F511-F611 HydrophobicContact CB-CZ 4.4Å; F511-F611 AromaticContact CD1-CE1 3.68Å; F511-F611 HydrophobicContact CD1-CE1 3.68Å; F511-F611 AromaticContact CD1-CZ 3.58Å; F511-F611 HydrophobicContact CD1-CZ 3.58Å; F511-F611 HydrophobicContact CE1-CZ 4.23Å; F511-F611 HydrophobicContact CG-CE1 4.23Å; F511-F611 HydrophobicContact CG-CZ 4.2Å; F511-L636 HydrophobicContact CD2-CD2 4.4Å; F511-L636 HydrophobicContact CE1-CD2 4.3Å; F511-L636 HydrophobicContact CE2-CD2 3.8Å; F511-L636 HydrophobicContact CZ-CD2 3.73Å; F511-C678 HydrophobicContact CD1-CB 4.14Å; F511-C678 VanDerWaalsContact CD1-SG 3.57Å; F511-A680 HydrophobicContact CE1-CB 4.23Å; F511-A680 HydrophobicContact CZ-CB 3.92Å
512I98.8Very high98.3Very high0 Ų03 Ų30%02%0.016CC..Hα-helixtrans-67.1-37.8176.1-160.6175.5000111.4W429 L446 L450 L508 I509 R510 T515 L516 I600 F602 F611 F613W429-I512 HydrophobicContact CH2-CG2 3.75Å; W429-I512 HydrophobicContact CZ2-CG2 3.55Å; L446-I512 HydrophobicContact CD2-CD1 4.4Å; L450-I512 HydrophobicContact CD1-CD1 3.89Å; L450-I512 HydrophobicContact CD1-CG1 3.89Å; L450-I512 HydrophobicContact CD1-CG2 4.18Å; L508-I512 WeakPolarHBondContact O-CB 3.44Å; L508-I512 VanDerWaalsContact O-CG2 3.27Å; L508-I512 WeakPolarHBondContact O-CG2 3.45Å; L508-I512 PolarHBondContact O-N 3.33Å; I509-I512 WeakPolarHBondContact O-CG2 3.29Å; R510-I512 PolarHBondContact O-N 2.76Å; I512-T515 PolarHBondContact O-N 3.48Å; I512-T515 PolarHBondContact O-OG1 3.02Å; I512-L516 HydrophobicContact CG1-CB 4.5Å; I512-L516 HydrophobicContact CG1-CD2 4.45Å; I512-L516 VanDerWaalsContact O-CB 3.27Å; I512-L516 WeakPolarHBondContact O-CB 3.45Å; I512-L516 PolarHBondContact O-N 2.94Å; I512-I600 HydrophobicContact CD1-CD1 3.71Å; I512-I600 HydrophobicContact CD1-CG2 4.19Å; I512-F602 HydrophobicContact CG1-CE1 4.21Å; I512-F602 HydrophobicContact CG1-CZ 4.5Å; I512-F611 HydrophobicContact CB-CD1 4.04Å; I512-F611 HydrophobicContact CB-CE1 3.56Å; I512-F611 HydrophobicContact CB-CE2 4.25Å; I512-F611 HydrophobicContact CB-CZ 3.69Å; I512-F611 HydrophobicContact CD1-CD2 4.43Å; I512-F611 HydrophobicContact CD1-CG 4.48Å; I512-F611 HydrophobicContact CG1-CD2 4.36Å; I512-F611 HydrophobicContact CG1-CE1 4.23Å; I512-F611 HydrophobicContact CG1-CE2 4.05Å; I512-F611 HydrophobicContact CG1-CZ 4Å; I512-F613 HydrophobicContact CD1-CE2 3.96Å; I512-F613 HydrophobicContact CD1-CZ 4.18Å; I512-F613 HydrophobicContact CG2-CZ 4.22Å
513T98.7Very high98.3Very high0 Ų03 Ų30%02%0.016CC..Hα-helixtrans-64.1-44.1175.4-59.10000111.2I425 W429 A461 T463 I509 R510 F511 T515 G517I425-T513 HydrophobicContact CG2-CG2 3.79Å; W429-T513 PolarHBondContact NE1-OG1 3.41Å; A461-T513 HydrophobicContact CB-CG2 3.97Å; T463-T513 HydrophobicContact CG2-CG2 3.82Å; T463-T513 WeakPolarHBondContact CG2-OG1 3.37Å; I509-T513 VanDerWaalsContact O-CB 3.3Å; I509-T513 WeakPolarHBondContact O-CB 3.33Å; I509-T513 PolarHBondContact O-N 3.35Å; I509-T513 PolarHBondContact O-OG1 2.94Å; R510-T513 PolarHBondContact O-N 3.19Å; F511-T513 VanDerWaalsContact C-N 3.34Å; F511-T513 PolarHBondContact O-N 3.24Å; T513-T515 VanDerWaalsContact C-N 3.32Å; T513-T515 PolarHBondContact O-N 3.11Å; T513-G517 WeakPolarHBondContact O-CA 3.29Å; T513-G517 PolarHBondContact O-N 3.25Å
514H98.5Very high98.3Very high0 Ų02.8 Ų2.80%02%0.015CC..Hα-helixtrans-64.2-32.8178.9-162.7-80.4000113.6R510 F511 Y521 M573 Q574 W582 L583R510-H514 VanDerWaalsContact O-CB 3.27Å; R510-H514 WeakPolarHBondContact O-CB 3.5Å; R510-H514 PolarHBondContact O-N 3.2Å; F511-H514 PolarHBondContact O-N 3.37Å; H514-Y521 HydrophobicContact CB-CD2 4.1Å; H514-Y521 HydrophobicContact CB-CE2 4.21Å; H514-Y521 AromaticContact CD2-CD1 3.22Å; H514-Y521 WeakPolarHBondContact CD2-CD1 3.33Å; H514-Y521 AromaticContact CD2-CD2 3.46Å; H514-Y521 VanDerWaalsContact CD2-CD2 3.46Å; H514-Y521 WeakPolarHBondContact CD2-CD2 3.49Å; H514-Y521 AromaticContact CD2-CE1 3.55Å; H514-Y521 AromaticContact CD2-CE2 3.79Å; H514-Y521 AromaticContact CD2-CG 3.15Å; H514-Y521 AromaticContact CD2-CZ 3.83Å; H514-Y521 AromaticContact NE2-CD1 3.52Å; H514-Y521 AromaticContact NE2-CG 3.64Å; H514-M573 HydrophobicContact CB-CE 4.36Å; H514-M573 HydrophobicContact CB-CG 4.31Å; H514-M573 HydrophobicContact CB-SD 3.55Å; H514-M573 VanDerWaalsContact CB-SD 3.55Å; H514-M573 VanDerWaalsContact CG-SD 3.57Å; H514-Q574 PolarHBondContact NE2-NE2 3.12Å; H514-Q574 PolarHBondContact NE2-OE1 3.34Å; H514-W582 AromaticContact CE1-CZ2 3.91Å; H514-W582 AromaticContact CE1-NE1 3.84Å; H514-W582 AromaticContact ND1-CE2 3.63Å; H514-W582 AromaticContact ND1-CZ2 3.5Å; H514-W582 AromaticContact ND1-NE1 3.2Å; H514-W582 PolarHBondContact ND1-NE1 3.49Å; H514-W582 PolarHBondContact O-NE1 3.49Å; H514-W582 VanDerWaalsContact O-NE1 3.09Å; H514-L583 VanDerWaalsContact O-CD2 3.3Å; H514-L583 WeakPolarHBondContact O-CD2 3.38Å
515T98.6Very high98.2Very high0 Ų02.3 Ų2.30%01%0.011CC..Hα-helixtrans-98.4-26.5-171.752.60000112.9F511 I512 T513 W582 F602 R604 F609F511-T515 HydrophobicContact CD2-CG2 3.83Å; F511-T515 HydrophobicContact CE1-CG2 4.48Å; F511-T515 HydrophobicContact CE2-CG2 3.56Å; F511-T515 HydrophobicContact CG-CG2 4.39Å; F511-T515 HydrophobicContact CZ-CG2 3.93Å; F511-T515 WeakPolarHBondContact O-CB 3.43Å; F511-T515 VanDerWaalsContact O-CG2 3.27Å; F511-T515 WeakPolarHBondContact O-CG2 3.31Å; F511-T515 PolarHBondContact O-N 3.14Å; F511-T515 PolarHBondContact O-OG1 3.24Å; I512-T515 PolarHBondContact O-N 3.48Å; I512-T515 PolarHBondContact O-OG1 3.02Å; T513-T515 VanDerWaalsContact C-N 3.32Å; T513-T515 PolarHBondContact O-N 3.11Å; T515-W582 HydrophobicContact CG2-CD2 4.41Å; T515-W582 HydrophobicContact CG2-CZ2 3.89Å; T515-F602 VanDerWaalsContact OG1-CZ 3.31Å; T515-F602 WeakPolarHBondContact OG1-CZ 3.39Å; T515-R604 WeakPolarHBondContact O-CD 3.5Å; T515-R604 PolarHBondContact O-NH1 3.44Å; T515-F609 HydrophobicContact CG2-CD1 3.66Å; T515-F609 HydrophobicContact CG2-CE1 3.31Å; T515-F609 HydrophobicContact CG2-CG 4.44Å; T515-F609 HydrophobicContact CG2-CZ 3.84Å
516L98.4Very high98.2Very high0 Ų02.4 Ų2.40%01%0.012CC..Hα-helixtrans-116.3-26.6-175.6-168.958.7000114.4V447 L450 T451 R453 I512 G518 A588 V590 F602V447-L516 HydrophobicContact CG1-CD2 4.35Å; V447-L516 HydrophobicContact CG2-CD2 4.26Å; L450-L516 HydrophobicContact CB-CB 4.48Å; L450-L516 HydrophobicContact CB-CD2 4.12Å; L450-L516 HydrophobicContact CB-CG 4.1Å; L450-L516 HydrophobicContact CD1-CD2 4.03Å; T451-L516 HydrophobicContact CG2-CD1 3.65Å; T451-L516 HydrophobicContact CG2-CD2 4.19Å; T451-L516 HydrophobicContact CG2-CG 3.73Å; R453-L516 PolarHBondContact NH1-O 2.83Å; I512-L516 HydrophobicContact CG1-CB 4.5Å; I512-L516 HydrophobicContact CG1-CD2 4.45Å; I512-L516 VanDerWaalsContact O-CB 3.27Å; I512-L516 WeakPolarHBondContact O-CB 3.45Å; I512-L516 PolarHBondContact O-N 2.94Å; L516-G518 PolarHBondContact O-N 2.88Å; L516-A588 HydrophobicContact CD1-CB 3.52Å; L516-V590 HydrophobicContact CD1-CG2 3.93Å; L516-V590 HydrophobicContact CD2-CG2 4.34Å; L516-F602 HydrophobicContact CB-CE1 4.33Å; L516-F602 HydrophobicContact CB-CE2 4.27Å; L516-F602 HydrophobicContact CB-CZ 3.91Å; L516-F602 HydrophobicContact CD1-CD2 4.32Å; L516-F602 HydrophobicContact CD1-CE2 4.37Å; L516-F602 HydrophobicContact CD1-CG 4.41Å; L516-F602 HydrophobicContact CD2-CD1 4.31Å; L516-F602 HydrophobicContact CD2-CE1 4.08Å; L516-F602 HydrophobicContact CD2-CZ 4.48Å
517G97.2Very high98.1Very high1 Ų12.5 Ų2.51%0.011%0.012CC..SBendtrans-72.5-28.2-163.600000116.5L450 R453 A461 T513L450-G517 CarbonylContact O-C 3.58Å; L450-G517 WeakPolarHBondContact O-CA 3.47Å; R453-G517 PolarHBondContact NH1-O 3.08Å; A461-G517 VanDerWaalsContact CB-C 3.49Å; T513-G517 WeakPolarHBondContact O-CA 3.29Å; T513-G517 PolarHBondContact O-N 3.25Å
518G95.9Very high98.1Very high0 Ų02.3 Ų2.30%01%0.012CC..  trans-172.2-168.3-170.900000115.6L516 R604L516-G518 PolarHBondContact O-N 2.88Å; G518-R604 PolarHBondContact O-NH1 3.08Å; G518-R604 PolarHBondContact O-NH2 3.5Å
519E97.3Very high98Very high40 Ų402.3 Ų2.319%0.1871%0.012CC..SBendtrans-105.8-3-179.9-6868.7-143.300112Y419 R453 P458 N459 L583Y419-E519 HydrophobicContact CE1-CB 4.11Å; R453-E519 IonicContact CZ-OE1 2.71Å; R453-E519 VanDerWaalsContact CZ-OE1 3.28Å; R453-E519 IonicContact CZ-OE2 3.46Å; R453-E519 IonicContact NE-OE1 2.67Å; R453-E519 PolarHBondContact NE-OE1 2.73Å; R453-E519 IonicContact NE-OE2 2.6Å; R453-E519 PolarHBondContact NE-OE2 3.11Å; R453-E519 VanDerWaalsContact NE-OE2 3.13Å; R453-E519 IonicContact NH2-OE1 2.63Å; R453-E519 PolarHBondContact NH2-OE1 3.18Å; R453-E519 IonicContact NH2-OE2 3.99Å; P458-E519 WeakPolarHBondContact CA-OE2 3.18Å; P458-E519 HydrophobicContact CB-CB 3.89Å; P458-E519 HydrophobicContact CB-CG 4.2Å; N459-E519 PolarHBondContact N-OE2 3.15Å; N459-E519 PolarHBondContact O-N 2.76Å; E519-L583 VanDerWaalsContact CA-O 3.29Å; E519-L583 WeakPolarHBondContact CA-O 3.36Å
520G97.9Very high97.9Very high0 Ų02.3 Ų2.30%01%0.012CC..EExtended strand (participates in β ladder)trans-147.7166.5163.800000110.2L183 N459 A461L183-G520 CarbonylContact O-C 3.47Å; L183-G520 VanDerWaalsContact O-CA 3.26Å; L183-G520 WeakPolarHBondContact O-CA 3.49Å; N459-G520 PolarHBondContact O-N 3.01Å; N459-G520 VanDerWaalsContact O-N 3.11Å; A461-G520 PolarHBondContact N-O 2.84Å
521Y98.6Very high97.8Very high0 Ų02.7 Ų2.70%01%0.014CC..EExtended strand (participates in β ladder)trans-127.1141.9179.5176.5-104.9000110.7L183 I185 Y218 A461 R510 H514 N523 M573L183-Y521 PolarHBondContact O-N 2.84Å; I185-Y521 PolarHBondContact N-O 2.87Å; Y218-Y521 HydrophobicContact CE1-CD1 4.35Å; Y218-Y521 HydrophobicContact CE1-CE1 4.25Å; A461-Y521 CarbonylContact O-C 3.5Å; A461-Y521 VanDerWaalsContact O-CA 3.31Å; A461-Y521 WeakPolarHBondContact O-CA 3.43Å; A461-Y521 WeakPolarHBondContact O-CD2 3.11Å; R510-Y521 PolarHBondContact NE-OH 2.89Å; H514-Y521 HydrophobicContact CB-CD2 4.1Å; H514-Y521 HydrophobicContact CB-CE2 4.21Å; H514-Y521 AromaticContact CD2-CD1 3.22Å; H514-Y521 WeakPolarHBondContact CD2-CD1 3.33Å; H514-Y521 AromaticContact CD2-CD2 3.46Å; H514-Y521 VanDerWaalsContact CD2-CD2 3.46Å; H514-Y521 WeakPolarHBondContact CD2-CD2 3.49Å; H514-Y521 AromaticContact CD2-CE1 3.55Å; H514-Y521 AromaticContact CD2-CE2 3.79Å; H514-Y521 AromaticContact CD2-CG 3.15Å; H514-Y521 AromaticContact CD2-CZ 3.83Å; H514-Y521 AromaticContact NE2-CD1 3.52Å; H514-Y521 AromaticContact NE2-CG 3.64Å; Y521-N523 HydrophobicContact CE1-CB 3.77Å; Y521-M573 HydrophobicContact CE1-CE 4.11Å
522L98.6Very high97.4Very high1 Ų12.9 Ų2.91%0.0052%0.015CC..EExtended strand (participates in β ladder)trans-124.3137.1173.3176.7152.7000110.7I185 E187 I460 A461 Y462 C465I185-L522 HydrophobicContact CB-CB 4.17Å; I185-L522 HydrophobicContact CB-CD1 4.47Å; I185-L522 HydrophobicContact CB-CG 4.36Å; I185-L522 HydrophobicContact CG2-CD1 4.18Å; I185-L522 HydrophobicContact CG2-CG 4.4Å; I185-L522 WeakPolarHBondContact O-CA 3.48Å; E187-L522 HydrophobicContact CB-CD1 4.03Å; E187-L522 HydrophobicContact CB-CD2 3.94Å; E187-L522 HydrophobicContact CB-CG 3.94Å; I460-L522 HydrophobicContact CG2-CB 3.53Å; A461-L522 PolarHBondContact O-N 2.78Å; Y462-L522 WeakPolarHBondContact CB-O 3.27Å; Y462-L522 HydrophobicContact CD2-CD2 4.29Å; Y462-L522 HydrophobicContact CG-CD2 4.06Å; C465-L522 HydrophobicContact CB-CD2 4.34Å
523N98.5Very high96.8Very high0 Ų03.8 Ų3.80%02%0.019CC..EExtended strand (participates in β ladder)trans-126.2126.4172178.681.2000110.2I185 Y186 E187 Y218 R510 Y521 E528I185-N523 PolarHBondContact O-N 2.77Å; Y186-N523 CarbonylContact C-O 3.56Å; E187-N523 PolarHBondContact N-O 3.04Å; Y218-N523 HydrophobicContact CE1-CB 3.75Å; Y218-N523 WeakPolarHBondContact OH-CB 3.45Å; Y218-N523 VanDerWaalsContact OH-CG 3.3Å; R510-N523 PolarHBondContact NH2-OD1 2.99Å; Y521-N523 HydrophobicContact CE1-CB 3.77Å; N523-E528 PolarHBondContact ND2-OE2 3.21Å
524F97.7Very high96.4Very high0 Ų07.5 Ų7.50%03%0.033CC..EExtended strand (participates in β ladder)trans-76.4138.2171.2-172.5-128.6000112.7E187 I192 M224 H466 A469 G526 N527 L535 R551E187-F524 HydrophobicContact CB-CD2 4.17Å; E187-F524 HydrophobicContact CG-CD2 3.87Å; E187-F524 HydrophobicContact CG-CE2 4.43Å; E187-F524 WeakPolarHBondContact OE2-CD2 3.32Å; I192-F524 HydrophobicContact CD1-CZ 4.34Å; M224-F524 HydrophobicContact CE-CE2 3.66Å; M224-F524 HydrophobicContact CE-CZ 4.37Å; H466-F524 HydrophobicContact CB-CD2 4.24Å; H466-F524 HydrophobicContact CB-CE1 4.39Å; H466-F524 HydrophobicContact CB-CE2 3.74Å; H466-F524 HydrophobicContact CB-CZ 3.8Å; A469-F524 HydrophobicContact CB-CD1 3.8Å; A469-F524 HydrophobicContact CB-CE1 3.58Å; F524-G526 PolarHBondContact O-N 2.84Å; F524-N527 VanDerWaalsContact O-CB 3.32Å; F524-N527 WeakPolarHBondContact O-CB 3.24Å; F524-N527 PolarHBondContact O-N 3.19Å; F524-L535 HydrophobicContact CE1-CD1 3.65Å; F524-L535 HydrophobicContact CZ-CD1 3.52Å; F524-R551 VanDerWaalsContact CE1-NH2 3.32Å
525M97.8Very high96Very high1 Ų17.5 Ų7.51%0.0053%0.033CC..THydrogen-bonded Turntrans-54.4119.7-178.768-175.3-71.200113Y186 E187 C188 H189 I192 R551 W553Y186-M525 HydrophobicContact CD1-CB 4.44Å; Y186-M525 HydrophobicContact CE1-CB 3.47Å; Y186-M525 VanDerWaalsContact CE1-CB 3.47Å; Y186-M525 WeakPolarHBondContact OH-CA 3.41Å; Y186-M525 WeakPolarHBondContact OH-CB 3.21Å; E187-M525 PolarHBondContact O-N 2.96Å; C188-M525 HydrophobicContact CB-SD 3.93Å; H189-M525 HydrophobicContact CB-SD 4.44Å; H189-M525 PolarHBondContact N-SD 3.22Å; I192-M525 HydrophobicContact CD1-CE 4.34Å; I192-M525 HydrophobicContact CD1-CG 4.37Å; I192-M525 HydrophobicContact CD1-SD 3.8Å; I192-M525 HydrophobicContact CG1-CE 3.9Å; I192-M525 HydrophobicContact CG1-SD 3.76Å; M525-R551 HydrophobicContact CE-CG 3.48Å; M525-R551 VanDerWaalsContact CE-CG 3.48Å; M525-R551 HydrophobicContact CG-CG 4.46Å; M525-R551 WeakPolarHBondContact O-CD 3.25Å; M525-R551 PolarHBondContact O-NE 3.24Å; M525-W553 HydrophobicContact CE-CZ2 4.3Å
526G97Very high95.8Very high2 Ų28 Ų82%0.0214%0.036CC..THydrogen-bonded Turntrans109.9-32.5-174.100000113.5F524 E528 F529 G530 H531F524-G526 PolarHBondContact O-N 2.84Å; G526-E528 WeakPolarHBondContact CA-OE2 3.45Å; G526-E528 PolarHBondContact N-OE1 3.43Å; G526-E528 PolarHBondContact N-OE2 3.34Å; G526-E528 PolarHBondContact O-N 3.27Å; G526-F529 PolarHBondContact O-N 2.93Å; G526-G530 PolarHBondContact O-N 2.97Å; G526-H531 VanDerWaalsContact O-CB 3.24Å; G526-H531 WeakPolarHBondContact O-CB 3.35Å; G526-H531 PolarHBondContact O-N 3.46Å
527N97.3Very high95.5Very high2 Ų28.1 Ų8.11%0.0114%0.036CC..G310 helixtrans-66.2-27.8-178.6-17325.4000111.7T463 H506 F524 F529 G530T463-N527 PolarHBondContact OG1-ND2 3.18Å; T463-N527 VanDerWaalsContact OG1-ND2 3.17Å; H506-N527 PolarHBondContact CE1-O 2.85Å; H506-N527 PolarHBondContact NE2-O 2.88Å; H506-N527 PolarHBondContact NE2-OD1 3.27Å; F524-N527 VanDerWaalsContact O-CB 3.32Å; F524-N527 WeakPolarHBondContact O-CB 3.24Å; F524-N527 PolarHBondContact O-N 3.19Å; N527-F529 PolarHBondContact O-N 3.27Å; N527-G530 PolarHBondContact O-N 3.05Å; N527-G530 VanDerWaalsContact O-N 3.12Å
528E98.3Very high95.2Very high1 Ų18.7 Ų8.71%0.0054%0.04CC..G310 helixtrans-58.9-33179.568.6-77-174.700113.8Y186 L216 N523 G526 L566 N567 D570Y186-E528 HydrophobicContact CE2-CG 4.4Å; Y186-E528 VanDerWaalsContact OH-CD 3.25Å; Y186-E528 PolarHBondContact OH-OE1 3.48Å; Y186-E528 PolarHBondContact OH-OE2 3.44Å; L216-E528 HydrophobicContact CD1-CB 4.47Å; L216-E528 HydrophobicContact CD1-CG 3.87Å; N523-E528 PolarHBondContact ND2-OE2 3.21Å; G526-E528 WeakPolarHBondContact CA-OE2 3.45Å; G526-E528 PolarHBondContact N-OE1 3.43Å; G526-E528 PolarHBondContact N-OE2 3.34Å; G526-E528 PolarHBondContact O-N 3.27Å; E528-L566 CarbonylContact O-C 3.54Å; E528-L566 VanDerWaalsContact O-O 3.09Å; E528-N567 WeakPolarHBondContact O-CA 3.13Å; E528-N567 PolarHBondContact O-N 2.66Å; E528-N567 VanDerWaalsContact O-N 3.13Å; E528-D570 HydrophobicContact CB-CB 4.03Å; E528-D570 VanDerWaalsContact CB-OD2 3.32Å; E528-D570 WeakPolarHBondContact CB-OD2 3.39Å
529F97.9Very high95Very high0 Ų012.2 Ų12.20%05%0.053CC..G310 helixtrans-110.96.1178.165.2-94.5000112.8G526 N527 H531 W553 V556 Y563 N567G526-F529 PolarHBondContact O-N 2.93Å; N527-F529 PolarHBondContact O-N 3.27Å; F529-H531 HydrophobicContact CD2-CB 4.26Å; F529-H531 HydrophobicContact CE1-CB 4.45Å; F529-H531 HydrophobicContact CE2-CB 3.58Å; F529-H531 AromaticContact CE2-CD2 3.69Å; F529-H531 HydrophobicContact CZ-CB 3.7Å; F529-H531 AromaticContact CZ-CD2 3.61Å; F529-W553 HydrophobicContact CD1-CZ3 4.19Å; F529-W553 AromaticContact CE1-CE3 3.74Å; F529-W553 HydrophobicContact CE1-CE3 3.74Å; F529-W553 HydrophobicContact CE1-CH2 4.3Å; F529-W553 AromaticContact CE1-CZ3 3.47Å; F529-W553 HydrophobicContact CE1-CZ3 3.47Å; F529-W553 VanDerWaalsContact CE1-CZ3 3.47Å; F529-W553 HydrophobicContact CZ-CE3 4.24Å; F529-W553 HydrophobicContact CZ-CZ3 4.32Å; F529-V556 HydrophobicContact CB-CB 3.83Å; F529-V556 HydrophobicContact CB-CG2 3.69Å; F529-V556 HydrophobicContact CD1-CB 4.29Å; F529-V556 HydrophobicContact CD1-CG1 4.19Å; F529-V556 HydrophobicContact CD2-CB 3.99Å; F529-V556 HydrophobicContact CD2-CG1 4.45Å; F529-V556 HydrophobicContact CE1-CG1 4.45Å; F529-V556 HydrophobicContact CG-CB 3.81Å; F529-V556 HydrophobicContact CG-CG1 4.2Å; F529-V556 HydrophobicContact CG-CG2 4.19Å; F529-Y563 HydrophobicContact CD2-CD1 4.13Å; F529-Y563 WeakPolarHBondContact O-CD1 3.03Å; F529-N567 HydrophobicContact CB-CB 3.95Å
530G96.5Very high94.6Very high0 Ų014.8 Ų14.80%08%0.081CC..THydrogen-bonded Turntrans66.549-176.500000112.4M485 G526 N527M485-G530 WeakPolarHBondContact CE-O 3.11Å; G526-G530 PolarHBondContact O-N 2.97Å; N527-G530 PolarHBondContact O-N 3.05Å; N527-G530 VanDerWaalsContact O-N 3.12Å
531H95.5Very high94.2Very high9 Ų917.7 Ų17.74%0.04211%0.111CC..  trans-49.4131.7175.5-175.8-90.8000110.3T475 S477 G526 F529 R551 Q552T475-H531 PolarHBondContact OG1-O 3.28Å; S477-H531 PolarHBondContact OG-O 3.22Å; G526-H531 VanDerWaalsContact O-CB 3.24Å; G526-H531 WeakPolarHBondContact O-CB 3.35Å; G526-H531 PolarHBondContact O-N 3.46Å; F529-H531 HydrophobicContact CD2-CB 4.26Å; F529-H531 HydrophobicContact CE1-CB 4.45Å; F529-H531 HydrophobicContact CE2-CB 3.58Å; F529-H531 AromaticContact CE2-CD2 3.69Å; F529-H531 HydrophobicContact CZ-CB 3.7Å; F529-H531 AromaticContact CZ-CD2 3.61Å; H531-R551 PolarHBondContact CE1-NH1 3.21Å; H531-R551 VanDerWaalsContact CE1-NH1 3.26Å; H531-R551 PolarHBondContact ND1-NH1 3.46Å; H531-Q552 PolarHBondContact NE2-N 3.46Å
532P91.8Very high93.8Very high4 Ų418.8 Ų18.83%0.02612%0.117CC..  trans-79.4165-177.234.6-36.4000110.9M485 L555M485-P532 HydrophobicContact CE-CB 3.77Å; M485-P532 HydrophobicContact SD-CB 4.19Å; P532-L555 HydrophobicContact CG-CD1 3.69Å
533E85.7Confident93.6Very high19 Ų1926.1 Ų26.19%0.08916%0.156CC..SBendtrans65.7174.7172.1-52.1171.4142.300113.8T475 F478 Y486 Y548T475-E533 WeakPolarHBondContact CG2-O 3.48Å; T475-E533 PolarHBondContact OG1-O 2.94Å; F478-E533 HydrophobicContact CE2-CG 4.46Å; Y486-E533 HydrophobicContact CE1-CG 4.35Å; Y486-E533 VanDerWaalsContact OH-CG 3.31Å; Y486-E533 WeakPolarHBondContact OH-CG 3.48Å; Y486-E533 PolarHBondContact OH-OE1 3.19Å; E533-Y548 HydrophobicContact CB-CD1 4.48Å; E533-Y548 HydrophobicContact CB-CE1 4.41Å; E533-Y548 WeakPolarHBondContact OE2-CE1 3.35Å
534W89.6Confident93.3Very high77 Ų7729.6 Ų29.629%0.29218%0.181SC..  trans-95.8167.8176.957.281.7000111.2A469 V471 F478A469-W534 CarbonylContact O-C 3.48Å; A469-W534 WeakPolarHBondContact O-CA 3.38Å; A469-W534 WeakPolarHBondContact O-CB 3.46Å; V471-W534 VanDerWaalsContact CA-CD1 3.46Å; V471-W534 VanDerWaalsContact CB-CD1 3.43Å; V471-W534 HydrophobicContact CB-CG 4.24Å; V471-W534 HydrophobicContact CG2-CG 4.49Å; F478-W534 HydrophobicContact CE1-CZ3 4.5Å
535L91.2Very high93.1Very high0 Ų031.7 Ų31.70%020%0.195CC..BIsolated β-bridgetrans-82.4131.6166.2-80.6178.5000111.4I192 F235 A469 V471 F524 F537 Y548I192-L535 HydrophobicContact CD1-CD1 3.89Å; I192-L535 HydrophobicContact CD1-CD2 3.96Å; F235-L535 HydrophobicContact CE1-CD1 3.75Å; F235-L535 HydrophobicContact CZ-CB 4.08Å; F235-L535 HydrophobicContact CZ-CD1 3.82Å; A469-L535 PolarHBondContact O-N 2.73Å; V471-L535 PolarHBondContact N-O 3.12Å; F524-L535 HydrophobicContact CE1-CD1 3.65Å; F524-L535 HydrophobicContact CZ-CD1 3.52Å; L535-F537 HydrophobicContact CD1-CE2 4.48Å; L535-Y548 WeakPolarHBondContact CD2-O 3.5Å
536D93Very high92.9Very high11 Ų1135.6 Ų35.66%0.05921%0.21CC..  trans-136.6111.1167.7-163.87.8000109.8V471 R539 N542 Y548V471-D536 HydrophobicContact CB-CB 4.04Å; V471-D536 HydrophobicContact CG1-CB 4.31Å; V471-D536 WeakPolarHBondContact CG1-OD1 3.37Å; V471-D536 HydrophobicContact CG2-CB 4.49Å; D536-R539 IonicContact OD1-CZ 2.75Å; D536-R539 IonicContact OD1-NE 3.3Å; D536-R539 PolarHBondContact OD1-NE 3.32Å; D536-R539 IonicContact OD1-NH2 3.44Å; D536-R539 PolarHBondContact OD1-NH2 3.47Å; D536-R539 IonicContact OD2-CZ 3.71Å; D536-R539 IonicContact OD2-NE 2.91Å; D536-R539 IonicContact OD2-NH2 3.74Å; D536-R539 PolarHBondContact OD2-NH2 3.34Å; D536-N542 PolarHBondContact OD1-ND2 3.08Å; D536-N542 WeakPolarHBondContact OD2-CB 3.32Å; D536-N542 PolarHBondContact OD2-ND2 3.37Å; D536-Y548 HydrophobicContact CB-CD2 4.34Å; D536-Y548 HydrophobicContact CB-CG 4.45Å; D536-Y548 PolarHBondContact N-O 2.96Å; D536-Y548 CarbonylContact O-C 3.6Å
537F92.5Very high92.8Very high2 Ų239.3 Ų39.31%0.00923%0.227CC..  trans-74.7156.1179-86.5-124.1000110.7H189 I192 Y232 A233 F235 L535 R539 N542 A549H189-F537 AromaticContact CD2-CZ 3.95Å; H189-F537 AromaticContact CE1-CE1 3.85Å; H189-F537 AromaticContact CE1-CZ 3.89Å; H189-F537 AromaticContact NE2-CE1 3.6Å; H189-F537 AromaticContact NE2-CZ 3.66Å; I192-F537 HydrophobicContact CG2-CE1 4.17Å; I192-F537 HydrophobicContact CG2-CE2 3.69Å; I192-F537 HydrophobicContact CG2-CZ 3.43Å; I192-F537 VanDerWaalsContact CG2-CZ 3.43Å; Y232-F537 AromaticContact CD1-CD1 3.67Å; Y232-F537 HydrophobicContact CD1-CD1 3.67Å; Y232-F537 HydrophobicContact CD1-CE1 4.25Å; Y232-F537 HydrophobicContact CD2-CD1 4.27Å; Y232-F537 HydrophobicContact CD2-CE1 4.24Å; Y232-F537 AromaticContact CE1-CD1 3.55Å; Y232-F537 HydrophobicContact CE1-CD1 3.55Å; Y232-F537 AromaticContact CE1-CE1 3.79Å; Y232-F537 HydrophobicContact CE1-CE1 3.79Å; Y232-F537 HydrophobicContact CE2-CD1 4.18Å; Y232-F537 AromaticContact CE2-CE1 3.8Å; Y232-F537 HydrophobicContact CE2-CE1 3.8Å; Y232-F537 HydrophobicContact CG-CD1 4.02Å; Y232-F537 HydrophobicContact CG-CE1 4.45Å; Y232-F537 AromaticContact CZ-CD1 3.82Å; Y232-F537 AromaticContact CZ-CE1 3.55Å; Y232-F537 VanDerWaalsContact O-CD1 3.24Å; Y232-F537 WeakPolarHBondContact O-CD1 3.41Å; A233-F537 HydrophobicContact CB-CB 3.67Å; F235-F537 HydrophobicContact CD1-CE2 4.08Å; F235-F537 HydrophobicContact CD1-CZ 4.17Å; F235-F537 HydrophobicContact CD2-CD2 4.02Å; F235-F537 HydrophobicContact CD2-CE2 4.09Å; F235-F537 HydrophobicContact CD2-CG 4.33Å; F235-F537 HydrophobicContact CD2-CZ 4.41Å; F235-F537 HydrophobicContact CE1-CD2 4.09Å; F235-F537 AromaticContact CE1-CE2 3.39Å; F235-F537 HydrophobicContact CE1-CE2 3.39Å; F235-F537 AromaticContact CE1-CZ 3.89Å; F235-F537 HydrophobicContact CE1-CZ 3.89Å; F235-F537 HydrophobicContact CE2-CB 4.39Å; F235-F537 HydrophobicContact CE2-CD1 4.49Å; F235-F537 AromaticContact CE2-CD2 3.14Å; F235-F537 HydrophobicContact CE2-CD2 3.14Å; F235-F537 AromaticContact CE2-CE2 3.36Å; F235-F537 HydrophobicContact CE2-CE2 3.36Å; F235-F537 AromaticContact CE2-CG 3.78Å; F235-F537 HydrophobicContact CE2-CG 3.78Å; F235-F537 HydrophobicContact CE2-CZ 4.1Å; F235-F537 HydrophobicContact CG-CE2 4.39Å; F235-F537 HydrophobicContact CG-CZ 4.43Å; F235-F537 AromaticContact CZ-CD2 3.21Å; F235-F537 HydrophobicContact CZ-CD2 3.21Å; F235-F537 AromaticContact CZ-CE2 2.97Å; F235-F537 HydrophobicContact CZ-CE2 2.97Å; F235-F537 HydrophobicContact CZ-CG 4.25Å; F235-F537 AromaticContact CZ-CZ 3.85Å; F235-F537 HydrophobicContact CZ-CZ 3.85Å; L535-F537 HydrophobicContact CD1-CE2 4.48Å; F537-R539 WeakPolarHBondContact O-CG 3.4Å; F537-R539 PolarHBondContact O-N 2.92Å; F537-N542 PolarHBondContact O-ND2 3.34Å; F537-A549 HydrophobicContact CD2-CB 4.45Å
538P91.8Very high92.6Very high13 Ų1342.6 Ų42.68%0.08424%0.24CC..SBendtrans-54.1113.9176.1-2328.7000112.2Y232 S545 Y546Y232-P538 HydrophobicContact CD1-CG 4.08Å; Y232-P538 HydrophobicContact CE1-CG 4.29Å; P538-S545 WeakPolarHBondContact CA-O 3.34Å; P538-Y546 HydrophobicContact CB-CD2 4.32Å; P538-Y546 HydrophobicContact CB-CE1 4.4Å; P538-Y546 HydrophobicContact CB-CE2 3.97Å; P538-Y546 HydrophobicContact CG-CD1 3.41Å; P538-Y546 VanDerWaalsContact CG-CD1 3.41Å; P538-Y546 HydrophobicContact CG-CD2 3.65Å; P538-Y546 HydrophobicContact CG-CE1 3.27Å; P538-Y546 HydrophobicContact CG-CE2 3.52Å; P538-Y546 HydrophobicContact CG-CG 3.59Å
539R91.6Very high92.4Very high75 Ų7542.6 Ų42.628%0.28324%0.239SC..  trans-149.1166.3177.763-175.717386.116111.1A233 D536 F537 G541 N542 N543 S544A233-R539 HydrophobicContact CB-CB 4.1Å; D536-R539 IonicContact OD1-CZ 2.75Å; D536-R539 IonicContact OD1-NE 3.3Å; D536-R539 PolarHBondContact OD1-NE 3.32Å; D536-R539 IonicContact OD1-NH2 3.44Å; D536-R539 PolarHBondContact OD1-NH2 3.47Å; D536-R539 IonicContact OD2-CZ 3.71Å; D536-R539 IonicContact OD2-NE 2.91Å; D536-R539 IonicContact OD2-NH2 3.74Å; D536-R539 PolarHBondContact OD2-NH2 3.34Å; F537-R539 WeakPolarHBondContact O-CG 3.4Å; F537-R539 PolarHBondContact O-N 2.92Å; R539-G541 PolarHBondContact O-N 3.34Å; R539-G541 VanDerWaalsContact O-N 3.12Å; R539-N542 PolarHBondContact N-OD1 3.31Å; R539-N542 PolarHBondContact O-N 3.44Å; R539-N542 PolarHBondContact O-OD1 3.25Å; R539-N543 PolarHBondContact O-N 2.9Å; R539-S544 PolarHBondContact O-N 3.17Å
540A88.6Confident92.3Very high93 Ų9344.5 Ų44.577%0.76925%0.247SC*.G310 helixtrans-52.6-38.9178.700000112.8N542 N543A540-N542 PolarHBondContact O-N 2.69Å; A540-N543 PolarHBondContact O-N 3.11Å
541G88.7Confident92.3Very high61 Ų6144.7 Ų44.763%0.62925%0.248SC*.G310 helixtrans-67.6-11.4-179.700000116.1R539R539-G541 PolarHBondContact O-N 3.34Å; R539-G541 VanDerWaalsContact O-N 3.12Å
542N91.5Very high92.3Very high24 Ų2445.9 Ų45.913%0.12825%0.253CS..G310 helixtrans-12823.4174.771.79.1000112.9D536 F537 R539 A540 S544 S545D536-N542 PolarHBondContact OD1-ND2 3.08Å; D536-N542 WeakPolarHBondContact OD2-CB 3.32Å; D536-N542 PolarHBondContact OD2-ND2 3.37Å; F537-N542 PolarHBondContact O-ND2 3.34Å; R539-N542 PolarHBondContact N-OD1 3.31Å; R539-N542 PolarHBondContact O-N 3.44Å; R539-N542 PolarHBondContact O-OD1 3.25Å; A540-N542 PolarHBondContact O-N 2.69Å; N542-S544 VanDerWaalsContact C-N 3.27Å; N542-S544 PolarHBondContact O-N 2.78Å; N542-S544 PolarHBondContact OD1-N 2.93Å; N542-S545 WeakPolarHBondContact O-CB 3.35Å; N542-S545 PolarHBondContact O-N 2.75Å; N542-S545 PolarHBondContact OD1-N 2.68Å; N542-S545 VanDerWaalsContact OD1-N 3.13Å
543N93.5Very high92.5Very high154 Ų15446.3 Ų46.382%0.82425%0.254SS*.THydrogen-bonded Turntrans57.134.8-176.5-57.8-42.2000113.9R539 A540 S545R539-N543 PolarHBondContact O-N 2.9Å; A540-N543 PolarHBondContact O-N 3.11Å; N543-S545 PolarHBondContact O-N 2.99Å
544S91.2Very high93.1Very high74 Ų7449.3 Ų49.352%0.51727%0.271SS..THydrogen-bonded Turntrans56.336-176.5-57.10000112.9R539 N542R539-S544 PolarHBondContact O-N 3.17Å; N542-S544 VanDerWaalsContact C-N 3.27Å; N542-S544 PolarHBondContact O-N 2.78Å; N542-S544 PolarHBondContact OD1-N 2.93Å
545S93.7Very high93.4Very high43 Ų4346.6 Ų46.630%0.30126%0.262SS..  trans-77.1137.8-179.6-177.60000111.4P538 N542 N543 H547P538-S545 WeakPolarHBondContact CA-O 3.34Å; N542-S545 WeakPolarHBondContact O-CB 3.35Å; N542-S545 PolarHBondContact O-N 2.75Å; N542-S545 PolarHBondContact OD1-N 2.68Å; N542-S545 VanDerWaalsContact OD1-N 3.13Å; N543-S545 PolarHBondContact O-N 2.99Å; S545-H547 VanDerWaalsContact OG-CB 3.24Å; S545-H547 WeakPolarHBondContact OG-CB 3.42Å; S545-H547 PolarHBondContact OG-N 3.39Å; S545-H547 VanDerWaalsContact OG-N 3.12Å
546Y94.1Very high93.7Very high84 Ų8447.2 Ų47.233%0.32927%0.265SS..  trans-94.33.9171-70.6-97.9000112.3P197 V199 Y232 P538 Y548 A549P197-Y546 WeakPolarHBondContact O-CB 3.29Å; V199-Y546 HydrophobicContact CG2-CD1 4.24Å; V199-Y546 HydrophobicContact CG2-CE1 3.46Å; V199-Y546 VanDerWaalsContact CG2-CE1 3.46Å; Y232-Y546 HydrophobicContact CD1-CE1 4.34Å; Y232-Y546 AromaticContact CE1-CE1 3.9Å; Y232-Y546 HydrophobicContact CE1-CE1 3.9Å; P538-Y546 HydrophobicContact CB-CD2 4.32Å; P538-Y546 HydrophobicContact CB-CE1 4.4Å; P538-Y546 HydrophobicContact CB-CE2 3.97Å; P538-Y546 HydrophobicContact CG-CD1 3.41Å; P538-Y546 VanDerWaalsContact CG-CD1 3.41Å; P538-Y546 HydrophobicContact CG-CD2 3.65Å; P538-Y546 HydrophobicContact CG-CE1 3.27Å; P538-Y546 HydrophobicContact CG-CE2 3.52Å; P538-Y546 HydrophobicContact CG-CG 3.59Å; Y546-Y548 VanDerWaalsContact C-N 3.29Å; Y546-Y548 PolarHBondContact O-N 2.85Å; Y546-A549 PolarHBondContact O-N 2.91Å
547H94.3Very high94Very high79 Ų7950.6 Ų50.637%0.36628%0.284SS..THydrogen-bonded Turntrans-59.6-37.9-171.6-175.976.4000113.7S545 R550S545-H547 VanDerWaalsContact OG-CB 3.24Å; S545-H547 WeakPolarHBondContact OG-CB 3.42Å; S545-H547 PolarHBondContact OG-N 3.39Å; S545-H547 VanDerWaalsContact OG-N 3.12Å; H547-R550 PolarHBondContact CE1-NH2 3.44Å; H547-R550 VanDerWaalsContact CE1-NH2 3.34Å; H547-R550 VanDerWaalsContact O-CD 3.27Å; H547-R550 WeakPolarHBondContact O-CD 3.41Å; H547-R550 WeakPolarHBondContact O-CG 3.38Å; H547-R550 PolarHBondContact O-NE 3.23Å
548Y93Very high94.2Very high72 Ų7253.6 Ų53.628%0.28230%0.3SS..THydrogen-bonded Turntrans-100.26.4177.2-63.1-66.8000112.6E533 L535 D536 Y546E533-Y548 HydrophobicContact CB-CD1 4.48Å; E533-Y548 HydrophobicContact CB-CE1 4.41Å; E533-Y548 WeakPolarHBondContact OE2-CE1 3.35Å; L535-Y548 WeakPolarHBondContact CD2-O 3.5Å; D536-Y548 HydrophobicContact CB-CD2 4.34Å; D536-Y548 HydrophobicContact CB-CG 4.45Å; D536-Y548 PolarHBondContact N-O 2.96Å; D536-Y548 CarbonylContact O-C 3.6Å; Y546-Y548 VanDerWaalsContact C-N 3.29Å; Y546-Y548 PolarHBondContact O-N 2.85Å
549A94.3Very high94.4Very high0 Ų057.1 Ų57.10%032%0.323CS..SBendtrans-10350.817800000110.5I192 F537 Y546I192-A549 HydrophobicContact CG2-CB 4.2Å; I192-A549 WeakPolarHBondContact CG2-O 3.14Å; F537-A549 HydrophobicContact CD2-CB 4.45Å; Y546-A549 PolarHBondContact O-N 2.91Å
550R95.7Very high94.7Very high41 Ų4157.7 Ų57.716%0.15533%0.331CS..SBendtrans-157.7165.3-172.171-173.1-178.1143.8-1.9111.9I192 S194 S195 H547I192-R550 CarbonylContact O-C 3.55Å; I192-R550 WeakPolarHBondContact O-CA 3.16Å; S194-R550 WeakPolarHBondContact O-CB 3.32Å; S195-R550 WeakPolarHBondContact O-CD 3.36Å; S195-R550 PolarHBondContact O-NH1 2.84Å; H547-R550 PolarHBondContact CE1-NH2 3.44Å; H547-R550 VanDerWaalsContact CE1-NH2 3.34Å; H547-R550 VanDerWaalsContact O-CD 3.27Å; H547-R550 WeakPolarHBondContact O-CD 3.41Å; H547-R550 WeakPolarHBondContact O-CG 3.38Å; H547-R550 PolarHBondContact O-NE 3.23Å
551R96.3Very high95.2Very high4 Ų454.7 Ų54.72%0.01530%0.302CS..  trans-114.5123.5170.8-65.4-61.3144.8-168.121.2111.2I192 S194 S195 F524 M525 H531 W553I192-R551 PolarHBondContact O-N 3.48Å; I192-R551 VanDerWaalsContact O-N 3.11Å; S194-R551 CarbonylContact C-O 3.47Å; S194-R551 PolarHBondContact O-N 3.39Å; S195-R551 WeakPolarHBondContact CA-O 3.22Å; S195-R551 PolarHBondContact N-O 3.38Å; S195-R551 PolarHBondContact OG-O 3.2Å; F524-R551 VanDerWaalsContact CE1-NH2 3.32Å; M525-R551 HydrophobicContact CE-CG 3.48Å; M525-R551 VanDerWaalsContact CE-CG 3.48Å; M525-R551 HydrophobicContact CG-CG 4.46Å; M525-R551 WeakPolarHBondContact O-CD 3.25Å; M525-R551 PolarHBondContact O-NE 3.24Å; H531-R551 PolarHBondContact CE1-NH1 3.21Å; H531-R551 VanDerWaalsContact CE1-NH1 3.26Å; H531-R551 PolarHBondContact ND1-NH1 3.46Å; R551-W553 VanDerWaalsContact C-N 3.27Å; R551-W553 HydrophobicContact CB-CD2 4.16Å; R551-W553 HydrophobicContact CB-CH2 4.34Å; R551-W553 HydrophobicContact CB-CZ2 3.64Å; R551-W553 HydrophobicContact CG-CZ2 4Å; R551-W553 VanDerWaalsContact O-CD1 3.27Å; R551-W553 PolarHBondContact O-N 3.32Å
552Q95.9Very high95.6Very high33 Ų3353.2 Ų53.215%0.15428%0.277CS..  trans-81.671.7-175.9-61.1-175.260.200110.3H531 N554 L555H531-Q552 PolarHBondContact NE2-N 3.46Å; Q552-N554 PolarHBondContact O-N 3.25Å; Q552-L555 HydrophobicContact CB-CD1 3.62Å; Q552-L555 HydrophobicContact CB-CG 3.76Å; Q552-L555 HydrophobicContact CG-CD1 4.44Å; Q552-L555 VanDerWaalsContact O-CB 3.27Å; Q552-L555 WeakPolarHBondContact O-CB 3.29Å; Q552-L555 WeakPolarHBondContact O-CG 3.43Å; Q552-L555 PolarHBondContact O-N 3.45Å
553W97.4Very high95.9Very high14 Ų1452.5 Ų52.55%0.05327%0.273CS..THydrogen-bonded Turntrans-61.6-26.2-176.3-57.7111.7000113.2S193 S195 I209 M525 F529 R551 L555 V556 D557S193-W553 PolarHBondContact O-NE1 3.42Å; S195-W553 WeakPolarHBondContact OG-CB 3.48Å; S195-W553 VanDerWaalsContact OG-CD1 3.29Å; S195-W553 PolarHBondContact OG-N 3.39Å; I209-W553 HydrophobicContact CD1-CZ2 3.92Å; M525-W553 HydrophobicContact CE-CZ2 4.3Å; F529-W553 HydrophobicContact CD1-CZ3 4.19Å; F529-W553 AromaticContact CE1-CE3 3.74Å; F529-W553 HydrophobicContact CE1-CE3 3.74Å; F529-W553 HydrophobicContact CE1-CH2 4.3Å; F529-W553 AromaticContact CE1-CZ3 3.47Å; F529-W553 HydrophobicContact CE1-CZ3 3.47Å; F529-W553 VanDerWaalsContact CE1-CZ3 3.47Å; F529-W553 HydrophobicContact CZ-CE3 4.24Å; F529-W553 HydrophobicContact CZ-CZ3 4.32Å; R551-W553 VanDerWaalsContact C-N 3.27Å; R551-W553 HydrophobicContact CB-CD2 4.16Å; R551-W553 HydrophobicContact CB-CH2 4.34Å; R551-W553 HydrophobicContact CB-CZ2 3.64Å; R551-W553 HydrophobicContact CG-CZ2 4Å; R551-W553 VanDerWaalsContact O-CD1 3.27Å; R551-W553 PolarHBondContact O-N 3.32Å; W553-L555 PolarHBondContact O-N 3.48Å; W553-L555 VanDerWaalsContact O-N 3.08Å; W553-V556 HydrophobicContact CE3-CG1 4.21Å; W553-V556 WeakPolarHBondContact O-CG1 3.44Å; W553-V556 PolarHBondContact O-N 2.89Å; W553-V556 VanDerWaalsContact O-N 3.1Å; W553-D557 WeakPolarHBondContact O-CB 3.47Å; W553-D557 VanDerWaalsContact O-CG 3.25Å; W553-D557 PolarHBondContact O-N 3.15Å
554N96.8Very high96.1Very high82 Ų8247.7 Ų47.744%0.43925%0.245SC..Hα-helixtrans-55.6-25.4171.862.5-74.2000112.9Q552 D558Q552-N554 PolarHBondContact O-N 3.25Å; N554-D558 VanDerWaalsContact O-CB 3.29Å; N554-D558 WeakPolarHBondContact O-CB 3.17Å; N554-D558 PolarHBondContact O-N 2.96Å; N554-D558 VanDerWaalsContact O-N 3.15Å
555L97.1Very high96.4Very high19 Ų1946 Ų4610%0.09923%0.227CC..Hα-helixtrans-69-40.2177.6-63.5179.7000112.5P532 Q552 W553 L561 Y563P532-L555 HydrophobicContact CG-CD1 3.69Å; Q552-L555 HydrophobicContact CB-CD1 3.62Å; Q552-L555 HydrophobicContact CB-CG 3.76Å; Q552-L555 HydrophobicContact CG-CD1 4.44Å; Q552-L555 VanDerWaalsContact O-CB 3.27Å; Q552-L555 WeakPolarHBondContact O-CB 3.29Å; Q552-L555 WeakPolarHBondContact O-CG 3.43Å; Q552-L555 PolarHBondContact O-N 3.45Å; W553-L555 PolarHBondContact O-N 3.48Å; W553-L555 VanDerWaalsContact O-N 3.08Å; L555-L561 HydrophobicContact CD2-CD1 3.96Å; L555-Y563 HydrophobicContact CB-CD1 4.28Å; L555-Y563 HydrophobicContact CB-CD2 3.69Å; L555-Y563 HydrophobicContact CB-CE1 4.43Å; L555-Y563 HydrophobicContact CB-CE2 3.88Å; L555-Y563 HydrophobicContact CB-CG 3.92Å; L555-Y563 HydrophobicContact CD1-CE1 4.08Å; L555-Y563 HydrophobicContact CD1-CE2 4.27Å; L555-Y563 HydrophobicContact CD2-CE2 3.93Å; L555-Y563 HydrophobicContact CG-CE2 4.24Å; L555-Y563 WeakPolarHBondContact O-CB 3.43Å; L555-Y563 VanDerWaalsContact O-CD2 3.31Å; L555-Y563 WeakPolarHBondContact O-CD2 3.39Å
556V97.7Very high96.7Very high13 Ų1344 Ų448%0.07921%0.213CC..Hα-helixtrans-85.1-30.517962.70000112.2F529 W553 N567F529-V556 HydrophobicContact CB-CB 3.83Å; F529-V556 HydrophobicContact CB-CG2 3.69Å; F529-V556 HydrophobicContact CD1-CB 4.29Å; F529-V556 HydrophobicContact CD1-CG1 4.19Å; F529-V556 HydrophobicContact CD2-CB 3.99Å; F529-V556 HydrophobicContact CD2-CG1 4.45Å; F529-V556 HydrophobicContact CE1-CG1 4.45Å; F529-V556 HydrophobicContact CG-CB 3.81Å; F529-V556 HydrophobicContact CG-CG1 4.2Å; F529-V556 HydrophobicContact CG-CG2 4.19Å; W553-V556 HydrophobicContact CE3-CG1 4.21Å; W553-V556 WeakPolarHBondContact O-CG1 3.44Å; W553-V556 PolarHBondContact O-N 2.89Å; W553-V556 VanDerWaalsContact O-N 3.1Å; V556-N567 HydrophobicContact CG2-CB 3.52Å
557D97.7Very high96.9Very high83 Ų8340.8 Ų40.844%0.44420%0.202SC..Hα-helixtrans-77.4-25.1-179.1-68-20.2000113.2R212 W553 P559R212-D557 IonicContact CZ-OD1 3.29Å; R212-D557 IonicContact CZ-OD2 2.86Å; R212-D557 IonicContact NH1-OD1 3.41Å; R212-D557 PolarHBondContact NH1-OD1 2.95Å; R212-D557 IonicContact NH1-OD2 2.95Å; R212-D557 IonicContact NH2-OD1 2.73Å; R212-D557 PolarHBondContact NH2-OD1 3.17Å; R212-D557 IonicContact NH2-OD2 3.21Å; R212-D557 PolarHBondContact NH2-OD2 2.97Å; W553-D557 WeakPolarHBondContact O-CB 3.47Å; W553-D557 VanDerWaalsContact O-CG 3.25Å; W553-D557 PolarHBondContact O-N 3.15Å; D557-P559 VanDerWaalsContact O-CD 3.3Å; D557-P559 WeakPolarHBondContact O-CD 3.37Å
558D97.6Very high97.1Very high64 Ų6438.9 Ų38.934%0.34219%0.194SC..  trans-75.1114.4177.3-172.7-20.1000110.8N554 L560 L561N554-D558 VanDerWaalsContact O-CB 3.29Å; N554-D558 WeakPolarHBondContact O-CB 3.17Å; N554-D558 PolarHBondContact O-N 2.96Å; N554-D558 VanDerWaalsContact O-N 3.15Å; D558-L560 PolarHBondContact O-N 3.36Å; D558-L560 VanDerWaalsContact O-N 3.11Å; D558-L560 WeakPolarHBondContact OD1-CB 3.13Å; D558-L560 PolarHBondContact OD1-N 3.47Å; D558-L561 HydrophobicContact CB-CD1 3.89Å; D558-L561 HydrophobicContact CB-CG 3.99Å; D558-L561 PolarHBondContact O-N 3.5Å
559P96.7Very high97.4Very high88 Ų8835.5 Ų35.557%0.57118%0.181SC*.THydrogen-bonded Turntrans-67.1-12.8-178.730-36.8000113.4D557 L561 K564D557-P559 VanDerWaalsContact O-CD 3.3Å; D557-P559 WeakPolarHBondContact O-CD 3.37Å; P559-L561 VanDerWaalsContact C-N 3.29Å; P559-K564 PolarHBondContact O-NZ 3.07Å
560L97.4Very high97.6Very high86 Ų8635.5 Ų35.545%0.4518%0.181SC..THydrogen-bonded Turntrans-85.2-1.9175.4-59.9178.9000113.1S490 T491 L492 D558S490-L560 CarbonylContact C-O 3.53Å; S490-L560 WeakPolarHBondContact CA-O 3.39Å; S490-L560 PolarHBondContact OG-O 3.27Å; T491-L560 PolarHBondContact N-O 2.95Å; T491-L560 PolarHBondContact OG1-O 3.01Å; L492-L560 HydrophobicContact CD1-CD2 4.5Å; D558-L560 PolarHBondContact O-N 3.36Å; D558-L560 VanDerWaalsContact O-N 3.11Å; D558-L560 WeakPolarHBondContact OD1-CB 3.13Å; D558-L560 PolarHBondContact OD1-N 3.47Å
561L97.7Very high97.7Very high31 Ų3136.8 Ų36.816%0.16219%0.186CC..BIsolated β-bridgetrans-107.5154.5178.3-58.5178.5000112.5M489 L555 D558 P559 Y563 K564M489-L561 CarbonylContact O-C 3.39Å; M489-L561 WeakPolarHBondContact O-CA 3.38Å; L555-L561 HydrophobicContact CD2-CD1 3.96Å; D558-L561 HydrophobicContact CB-CD1 3.89Å; D558-L561 HydrophobicContact CB-CG 3.99Å; D558-L561 PolarHBondContact O-N 3.5Å; P559-L561 VanDerWaalsContact C-N 3.29Å; L561-Y563 HydrophobicContact CB-CD2 3.82Å; L561-Y563 HydrophobicContact CB-CE2 4.37Å; L561-Y563 HydrophobicContact CD1-CD2 4.18Å; L561-Y563 HydrophobicContact CD1-CE2 4.24Å; L561-K564 WeakPolarHBondContact O-CD 3.37Å; L561-K564 WeakPolarHBondContact O-CG 3.27Å
562R97.8Very high97.9Very high30 Ų3037.8 Ų37.811%0.11320%0.195CC..THydrogen-bonded Turntrans-81.1-12.7-175.9-66.6179.6179.3-110.60.4113.7M489 S490 T491 D500 I503 K564 Y565M489-R562 HydrophobicContact CE-CB 3.95Å; M489-R562 WeakPolarHBondContact O-CB 3.35Å; M489-R562 VanDerWaalsContact O-CG 3.26Å; M489-R562 WeakPolarHBondContact O-CG 3.33Å; M489-R562 PolarHBondContact O-N 2.95Å; M489-R562 HydrophobicContact SD-CB 4.08Å; S490-R562 PolarHBondContact O-NE 3.48Å; S490-R562 VanDerWaalsContact O-NE 3.16Å; T491-R562 HydrophobicContact CG2-CG 4.09Å; D500-R562 IonicContact OD1-NH1 3.68Å; I503-R562 HydrophobicContact CD1-CB 4.12Å; R562-K564 PolarHBondContact O-N 3.43Å; R562-Y565 HydrophobicContact CB-CD2 3.83Å; R562-Y565 HydrophobicContact CB-CE2 3.99Å; R562-Y565 HydrophobicContact CG-CD2 4.16Å; R562-Y565 HydrophobicContact CG-CE2 3.81Å; R562-Y565 VanDerWaalsContact O-CB 3.26Å; R562-Y565 WeakPolarHBondContact O-CB 3.19Å; R562-Y565 VanDerWaalsContact O-CD2 3.25Å; R562-Y565 WeakPolarHBondContact O-CD2 3.33Å; R562-Y565 PolarHBondContact O-N 3.05Å
563Y98Very high98Very high9 Ų936.2 Ų36.24%0.03519%0.188CC..Hα-helixtrans-58.7-32.2-179.6-61.4-89.2000112.8M485 M489 F529 L555 L561 Y565 L566 N567M485-Y563 HydrophobicContact CE-CE1 3.72Å; M489-Y563 HydrophobicContact CB-CE2 3.77Å; M489-Y563 HydrophobicContact CE-CD1 3.66Å; M489-Y563 HydrophobicContact CE-CD2 3.87Å; M489-Y563 HydrophobicContact CE-CE1 3.61Å; M489-Y563 HydrophobicContact CE-CE2 3.8Å; M489-Y563 HydrophobicContact CE-CG 3.78Å; M489-Y563 HydrophobicContact CG-CE2 4.13Å; F529-Y563 HydrophobicContact CD2-CD1 4.13Å; F529-Y563 WeakPolarHBondContact O-CD1 3.03Å; L555-Y563 HydrophobicContact CB-CD1 4.28Å; L555-Y563 HydrophobicContact CB-CD2 3.69Å; L555-Y563 HydrophobicContact CB-CE1 4.43Å; L555-Y563 HydrophobicContact CB-CE2 3.88Å; L555-Y563 HydrophobicContact CB-CG 3.92Å; L555-Y563 HydrophobicContact CD1-CE1 4.08Å; L555-Y563 HydrophobicContact CD1-CE2 4.27Å; L555-Y563 HydrophobicContact CD2-CE2 3.93Å; L555-Y563 HydrophobicContact CG-CE2 4.24Å; L555-Y563 WeakPolarHBondContact O-CB 3.43Å; L555-Y563 VanDerWaalsContact O-CD2 3.31Å; L555-Y563 WeakPolarHBondContact O-CD2 3.39Å; L561-Y563 HydrophobicContact CB-CD2 3.82Å; L561-Y563 HydrophobicContact CB-CE2 4.37Å; L561-Y563 HydrophobicContact CD1-CD2 4.18Å; L561-Y563 HydrophobicContact CD1-CE2 4.24Å; Y563-Y565 PolarHBondContact O-N 2.95Å; Y563-Y565 VanDerWaalsContact O-N 3.11Å; Y563-L566 PolarHBondContact O-N 3.05Å; Y563-N567 PolarHBondContact O-N 2.76Å
564K98Very high98.1Very high53 Ų5335.6 Ų35.623%0.2319%0.185CC..Hα-helixtrans-54.4-29.3174.472.3-171.6179.5-179.90113.6P559 L561 R562 N567 N568P559-K564 PolarHBondContact O-NZ 3.07Å; L561-K564 WeakPolarHBondContact O-CD 3.37Å; L561-K564 WeakPolarHBondContact O-CG 3.27Å; R562-K564 PolarHBondContact O-N 3.43Å; K564-N567 PolarHBondContact O-N 3.41Å; K564-N568 VanDerWaalsContact O-CB 3.32Å; K564-N568 WeakPolarHBondContact O-CB 3.48Å; K564-N568 PolarHBondContact O-N 3.16Å; K564-N568 PolarHBondContact O-ND2 3.39Å; K564-N568 PolarHBondContact O-OD1 3.06Å
565Y98.3Very high98.1Very high37 Ų3735.7 Ų35.715%0.14518%0.183CC..Hα-helixtrans-66.6-44.1-178.3-65.2-37.8000112.4T491 I503 R562 Y563 F569 E641 E642T491-Y565 HydrophobicContact CG2-CE2 4.42Å; I503-Y565 HydrophobicContact CD1-CD2 4.39Å; R562-Y565 HydrophobicContact CB-CD2 3.83Å; R562-Y565 HydrophobicContact CB-CE2 3.99Å; R562-Y565 HydrophobicContact CG-CD2 4.16Å; R562-Y565 HydrophobicContact CG-CE2 3.81Å; R562-Y565 VanDerWaalsContact O-CB 3.26Å; R562-Y565 WeakPolarHBondContact O-CB 3.19Å; R562-Y565 VanDerWaalsContact O-CD2 3.25Å; R562-Y565 WeakPolarHBondContact O-CD2 3.33Å; R562-Y565 PolarHBondContact O-N 3.05Å; Y563-Y565 PolarHBondContact O-N 2.95Å; Y563-Y565 VanDerWaalsContact O-N 3.11Å; Y565-F569 WeakPolarHBondContact O-CB 3.47Å; Y565-F569 PolarHBondContact O-N 3.37Å; Y565-F569 VanDerWaalsContact O-N 3.09Å; Y565-E641 WeakPolarHBondContact CE1-O 3.49Å; Y565-E642 WeakPolarHBondContact CD1-O 3.18Å
566L98.6Very high98.2Very high1 Ų135.5 Ų35.51%0.00518%0.182CC..Hα-helixtrans-68-41175.4-65.9178.7000110.6I503 H506 K507 E528 Y563 N568 F569 D570I503-L566 HydrophobicContact CB-CD2 4.48Å; I503-L566 HydrophobicContact CG2-CD2 3.96Å; H506-L566 HydrophobicContact CB-CD1 4.45Å; H506-L566 HydrophobicContact CB-CD2 4.06Å; K507-L566 HydrophobicContact CG-CD2 3.78Å; E528-L566 CarbonylContact O-C 3.54Å; E528-L566 VanDerWaalsContact O-O 3.09Å; Y563-L566 PolarHBondContact O-N 3.05Å; L566-N568 PolarHBondContact O-N 3.1Å; L566-F569 PolarHBondContact O-N 3.3Å; L566-D570 PolarHBondContact O-N 3.4Å
567N98.7Very high98.2Very high18 Ų1834.9 Ų34.910%0.09618%0.178CC..Hα-helixtrans-60.8-44177-171.587.2000112.5E528 F529 V556 Y563 K564 F569 D570 R571E528-N567 WeakPolarHBondContact O-CA 3.13Å; E528-N567 PolarHBondContact O-N 2.66Å; E528-N567 VanDerWaalsContact O-N 3.13Å; F529-N567 HydrophobicContact CB-CB 3.95Å; V556-N567 HydrophobicContact CG2-CB 3.52Å; Y563-N567 PolarHBondContact O-N 2.76Å; K564-N567 PolarHBondContact O-N 3.41Å; N567-F569 VanDerWaalsContact C-N 3.35Å; N567-D570 PolarHBondContact O-N 2.75Å; N567-R571 PolarHBondContact ND2-NH2 3.39Å; N567-R571 PolarHBondContact O-N 3.37Å
568N98.7Very high98.2Very high39 Ų3936.6 Ų36.621%0.20918%0.184CC..Hα-helixtrans-65.3-40.3177.1-70.5-13.7000111.5K564 L566 R571 A572 E642 F643K564-N568 VanDerWaalsContact O-CB 3.32Å; K564-N568 WeakPolarHBondContact O-CB 3.48Å; K564-N568 PolarHBondContact O-N 3.16Å; K564-N568 PolarHBondContact O-ND2 3.39Å; K564-N568 PolarHBondContact O-OD1 3.06Å; L566-N568 PolarHBondContact O-N 3.1Å; N568-R571 PolarHBondContact O-N 2.96Å; N568-R571 PolarHBondContact OD1-NH1 2.97Å; N568-A572 WeakPolarHBondContact O-CB 3.48Å; N568-A572 PolarHBondContact O-N 2.9Å; N568-E642 PolarHBondContact ND2-O 2.94Å; N568-E642 VanDerWaalsContact ND2-O 3.16Å; N568-F643 HydrophobicContact CB-CD1 3.87Å; N568-F643 HydrophobicContact CB-CE1 3.99Å; N568-F643 WeakPolarHBondContact O-CE1 3.25Å
569F98.8Very high98.2Very high0 Ų042.4 Ų42.40%020%0.201CC..Hα-helixtrans-66.5-39.3176.4-174.4-100.1000111.8K507 F511 Y565 L566 N567 A572 M573 L636 F643K507-F569 HydrophobicContact CB-CD1 3.76Å; K507-F569 HydrophobicContact CB-CE1 3.58Å; K507-F569 HydrophobicContact CB-CE2 4.46Å; K507-F569 HydrophobicContact CB-CG 4.26Å; K507-F569 HydrophobicContact CB-CZ 3.96Å; K507-F569 HydrophobicContact CD-CB 3.98Å; K507-F569 HydrophobicContact CD-CD1 4.04Å; K507-F569 HydrophobicContact CD-CD2 3.84Å; K507-F569 HydrophobicContact CD-CE2 4.33Å; K507-F569 HydrophobicContact CD-CG 3.67Å; K507-F569 HydrophobicContact CG-CB 4.13Å; K507-F569 HydrophobicContact CG-CD1 3.51Å; K507-F569 HydrophobicContact CG-CD2 4.24Å; K507-F569 HydrophobicContact CG-CE1 3.91Å; K507-F569 HydrophobicContact CG-CG 3.68Å; K507-F569 HydrophobicContact CG-CZ 4.43Å; F511-F569 HydrophobicContact CB-CE1 3.95Å; F511-F569 HydrophobicContact CB-CZ 3.92Å; F511-F569 HydrophobicContact CD1-CZ 4.45Å; F511-F569 HydrophobicContact CD2-CZ 4.49Å; F511-F569 HydrophobicContact CG-CE1 4.46Å; F511-F569 HydrophobicContact CG-CZ 4.07Å; Y565-F569 WeakPolarHBondContact O-CB 3.47Å; Y565-F569 PolarHBondContact O-N 3.37Å; Y565-F569 VanDerWaalsContact O-N 3.09Å; L566-F569 PolarHBondContact O-N 3.3Å; N567-F569 VanDerWaalsContact C-N 3.35Å; F569-A572 PolarHBondContact O-N 3.49Å; F569-M573 WeakPolarHBondContact O-CB 3.43Å; F569-M573 PolarHBondContact O-N 2.96Å; F569-L636 HydrophobicContact CE2-CD1 4.34Å; F569-L636 HydrophobicContact CE2-CD2 4.01Å; F569-L636 HydrophobicContact CE2-CG 4.24Å; F569-L636 HydrophobicContact CZ-CD2 4.31Å; F569-F643 HydrophobicContact CB-CB 4.19Å; F569-F643 HydrophobicContact CB-CD1 3.79Å; F569-F643 HydrophobicContact CB-CE1 4.43Å; F569-F643 HydrophobicContact CB-CG 4.01Å; F569-F643 HydrophobicContact CD2-CB 4.2Å; F569-F643 HydrophobicContact CD2-CD1 4.25Å; F569-F643 AromaticContact CD2-CD2 3.81Å; F569-F643 HydrophobicContact CD2-CD2 3.81Å; F569-F643 HydrophobicContact CD2-CE2 4.24Å; F569-F643 AromaticContact CD2-CG 3.82Å; F569-F643 HydrophobicContact CD2-CG 3.82Å; F569-F643 HydrophobicContact CG-CG 4.41Å
570D98.7Very high98.3Very high0 Ų040.8 Ų40.80%018%0.184CC..Hα-helixtrans-58.8-51.6172.8-171.157.7000111.2Y218 R510 E528 L566 N567 A572 M573 Q574Y218-D570 WeakPolarHBondContact CE2-OD2 3.38Å; Y218-D570 VanDerWaalsContact OH-CG 3.23Å; Y218-D570 PolarHBondContact OH-OD1 3.17Å; Y218-D570 PolarHBondContact OH-OD2 3.2Å; R510-D570 IonicContact CZ-OD1 3.38Å; R510-D570 IonicContact NH1-OD1 3.63Å; R510-D570 PolarHBondContact NH1-OD1 3.33Å; R510-D570 VanDerWaalsContact NH2-CG 3.29Å; R510-D570 IonicContact NH2-OD1 2.61Å; R510-D570 PolarHBondContact NH2-OD1 2.95Å; R510-D570 IonicContact NH2-OD2 2.68Å; E528-D570 HydrophobicContact CB-CB 4.03Å; E528-D570 VanDerWaalsContact CB-OD2 3.32Å; E528-D570 WeakPolarHBondContact CB-OD2 3.39Å; L566-D570 PolarHBondContact O-N 3.4Å; N567-D570 PolarHBondContact O-N 2.75Å; D570-A572 VanDerWaalsContact C-N 3.32Å; D570-A572 PolarHBondContact O-N 2.96Å; D570-M573 WeakPolarHBondContact O-CB 3.41Å; D570-M573 PolarHBondContact O-N 3.42Å; D570-M573 VanDerWaalsContact O-N 3.11Å; D570-M573 VanDerWaalsContact OD1-CE 3.28Å; D570-M573 WeakPolarHBondContact OD1-CE 3.26Å; D570-Q574 WeakPolarHBondContact O-CG 3.37Å; D570-Q574 PolarHBondContact O-N 3.33Å; D570-Q574 PolarHBondContact OD1-NE2 3.09Å
571R98.8Very high98.3Very high68 Ų6837.8 Ų37.826%0.25717%0.174SC..Hα-helixtrans-52.6-52.5175.2-173.2-174.8-58.2109.4-4.4110.7D215 L216 N567 N568 M573 Q574 H575D215-R571 IonicContact OD1-NE 3.89Å; D215-R571 IonicContact OD2-CZ 3.72Å; D215-R571 VanDerWaalsContact OD2-CZ 3.25Å; D215-R571 IonicContact OD2-NE 3.65Å; D215-R571 PolarHBondContact OD2-NE 3.33Å; D215-R571 IonicContact OD2-NH2 2.84Å; D215-R571 PolarHBondContact OD2-NH2 3.34Å; L216-R571 HydrophobicContact CD2-CB 4.1Å; L216-R571 WeakPolarHBondContact O-CA 3.44Å; N567-R571 PolarHBondContact ND2-NH2 3.39Å; N567-R571 PolarHBondContact O-N 3.37Å; N568-R571 PolarHBondContact O-N 2.96Å; N568-R571 PolarHBondContact OD1-NH1 2.97Å; R571-M573 VanDerWaalsContact C-N 3.29Å; R571-M573 PolarHBondContact O-N 3.37Å; R571-Q574 PolarHBondContact O-N 3.06Å; R571-H575 VanDerWaalsContact CG-CD2 3.47Å; R571-H575 WeakPolarHBondContact CG-CD2 3.47Å; R571-H575 PolarHBondContact O-CD2 3.4Å; R571-H575 PolarHBondContact O-N 3.3Å
572A98.8Very high98.3Very high26 Ų2636.3 Ų36.322%0.21517%0.166CC..Hα-helixtrans-58.7-40.9-179.800000112.2N568 F569 D570 L576 L636 F643N568-A572 WeakPolarHBondContact O-CB 3.48Å; N568-A572 PolarHBondContact O-N 2.9Å; F569-A572 PolarHBondContact O-N 3.49Å; D570-A572 VanDerWaalsContact C-N 3.32Å; D570-A572 PolarHBondContact O-N 2.96Å; A572-L576 WeakPolarHBondContact O-CB 3.45Å; A572-L576 PolarHBondContact O-N 3.33Å; A572-L636 HydrophobicContact CB-CD1 3.75Å; A572-F643 HydrophobicContact CB-CE1 3.9Å; A572-F643 HydrophobicContact CB-CZ 3.61Å
573M98.6Very high98.3Very high0 Ų035 Ų350%016%0.161CC..Hα-helixtrans-62.4-47.7176.6175.9177.373.700112.7F511 H514 Y521 F569 D570 R571 L576 E577F511-M573 HydrophobicContact CB-SD 4.38Å; F511-M573 HydrophobicContact CD2-CB 4.41Å; F511-M573 HydrophobicContact CD2-CG 3.76Å; F511-M573 HydrophobicContact CD2-SD 3.79Å; F511-M573 HydrophobicContact CE2-CG 4.12Å; H514-M573 HydrophobicContact CB-CE 4.36Å; H514-M573 HydrophobicContact CB-CG 4.31Å; H514-M573 HydrophobicContact CB-SD 3.55Å; H514-M573 VanDerWaalsContact CB-SD 3.55Å; H514-M573 VanDerWaalsContact CG-SD 3.57Å; Y521-M573 HydrophobicContact CE1-CE 4.11Å; F569-M573 WeakPolarHBondContact O-CB 3.43Å; F569-M573 PolarHBondContact O-N 2.96Å; D570-M573 WeakPolarHBondContact O-CB 3.41Å; D570-M573 PolarHBondContact O-N 3.42Å; D570-M573 VanDerWaalsContact O-N 3.11Å; D570-M573 VanDerWaalsContact OD1-CE 3.28Å; D570-M573 WeakPolarHBondContact OD1-CE 3.26Å; R571-M573 VanDerWaalsContact C-N 3.29Å; R571-M573 PolarHBondContact O-N 3.37Å; M573-L576 PolarHBondContact O-N 3.47Å; M573-E577 PolarHBondContact O-N 3.04Å
574Q98.8Very high98.2Very high0 Ų037.2 Ų37.20%018%0.181CC..Hα-helixtrans-67-45.8-178.7-57.6-54.1-33.900111.8L216 Y218 H514 D570 R571 L576 E577 E578L216-Q574 WeakPolarHBondContact O-CB 3.42Å; L216-Q574 WeakPolarHBondContact O-CG 3.35Å; Y218-Q574 HydrophobicContact CD2-CG 4.39Å; Y218-Q574 HydrophobicContact CE1-CG 4.29Å; Y218-Q574 HydrophobicContact CE2-CG 4.03Å; Y218-Q574 PolarHBondContact OH-NE2 2.68Å; H514-Q574 PolarHBondContact NE2-NE2 3.12Å; H514-Q574 PolarHBondContact NE2-OE1 3.34Å; D570-Q574 WeakPolarHBondContact O-CG 3.37Å; D570-Q574 PolarHBondContact O-N 3.33Å; D570-Q574 PolarHBondContact OD1-NE2 3.09Å; R571-Q574 PolarHBondContact O-N 3.06Å; Q574-L576 VanDerWaalsContact C-N 3.31Å; Q574-L576 PolarHBondContact O-N 2.8Å; Q574-E577 PolarHBondContact O-N 3.15Å; Q574-E578 PolarHBondContact O-N 3.36Å
575H98.6Very high98.2Very high85 Ų8535.5 Ų35.539%0.39418%0.177SC..Hα-helixtrans-66.2-34.4178.4-77.9-82.2000112D215 R571 E578 R579D215-H575 PolarHBondContact O-NE2 3.24Å; R571-H575 VanDerWaalsContact CG-CD2 3.47Å; R571-H575 WeakPolarHBondContact CG-CD2 3.47Å; R571-H575 PolarHBondContact O-CD2 3.4Å; R571-H575 PolarHBondContact O-N 3.3Å; H575-E578 PolarHBondContact O-N 2.92Å; H575-R579 PolarHBondContact O-N 2.99Å; H575-R579 VanDerWaalsContact O-N 3.16Å
576L98.5Very high98Very high14 Ų1439.2 Ų39.27%0.07321%0.205CC..Hα-helixtrans-67.6-38.6173.6-168.976.5000111.4A572 M573 Q574 E578 R579 Y580 W582 V635 L636 A680A572-L576 WeakPolarHBondContact O-CB 3.45Å; A572-L576 PolarHBondContact O-N 3.33Å; M573-L576 PolarHBondContact O-N 3.47Å; Q574-L576 VanDerWaalsContact C-N 3.31Å; Q574-L576 PolarHBondContact O-N 2.8Å; L576-E578 VanDerWaalsContact C-N 3.32Å; L576-E578 PolarHBondContact O-N 2.81Å; L576-R579 PolarHBondContact O-N 2.93Å; L576-Y580 HydrophobicContact CD1-CD2 3.68Å; L576-Y580 HydrophobicContact CD1-CE2 3.49Å; L576-Y580 VanDerWaalsContact CD1-CE2 3.49Å; L576-Y580 HydrophobicContact CG-CD2 3.9Å; L576-Y580 HydrophobicContact CG-CE2 4.22Å; L576-Y580 WeakPolarHBondContact O-CD2 3.45Å; L576-Y580 PolarHBondContact O-N 3.23Å; L576-W582 HydrophobicContact CB-CH2 3.87Å; L576-W582 HydrophobicContact CB-CZ3 4.26Å; L576-W582 HydrophobicContact CD2-CH2 3.78Å; L576-W582 HydrophobicContact CD2-CZ3 3.93Å; L576-W582 HydrophobicContact CG-CH2 3.81Å; L576-W582 HydrophobicContact CG-CZ3 3.78Å; L576-W582 WeakPolarHBondContact O-CZ3 3.44Å; L576-V635 HydrophobicContact CD1-CB 3.92Å; L576-V635 HydrophobicContact CD1-CG2 3.88Å; L576-V635 HydrophobicContact CD2-CG2 4.18Å; L576-L636 HydrophobicContact CD2-CB 3.64Å; L576-L636 HydrophobicContact CD2-CD2 3.95Å; L576-L636 HydrophobicContact CD2-CG 4.43Å; L576-A680 HydrophobicContact CD2-CB 4.14Å
577E98.5Very high97.7Very high0 Ų042.4 Ų42.40%022%0.22CC..Hα-helixtrans-64.6-38.4174.1-161.7-78.9145.800111.5S182 R184 M573 Q574 R579 Y580 G581 W582 L583S182-E577 WeakPolarHBondContact CB-OE1 3.46Å; S182-E577 WeakPolarHBondContact CB-OE2 3.41Å; S182-E577 PolarHBondContact OG-OE1 3.43Å; R184-E577 VanDerWaalsContact CD-OE2 3.25Å; R184-E577 WeakPolarHBondContact CD-OE2 3.47Å; R184-E577 IonicContact CZ-OE2 3.97Å; R184-E577 IonicContact NE-OE2 3.15Å; R184-E577 IonicContact NH1-OE2 3.5Å; R184-E577 PolarHBondContact NH1-OE2 2.96Å; M573-E577 PolarHBondContact O-N 3.04Å; Q574-E577 PolarHBondContact O-N 3.15Å; E577-R579 PolarHBondContact O-N 3.38Å; E577-Y580 PolarHBondContact O-N 2.89Å; E577-G581 VanDerWaalsContact O-CA 3.23Å; E577-G581 WeakPolarHBondContact O-CA 3.48Å; E577-G581 PolarHBondContact O-N 3.41Å; E577-G581 WeakPolarHBondContact OE1-CA 3.3Å; E577-W582 HydrophobicContact CB-CD2 4.25Å; E577-W582 HydrophobicContact CB-CH2 3.72Å; E577-W582 HydrophobicContact CB-CZ2 3.39Å; E577-W582 HydrophobicContact CB-CZ3 4.28Å; E577-W582 HydrophobicContact CG-CD2 3.77Å; E577-W582 HydrophobicContact CG-CE3 4.39Å; E577-W582 HydrophobicContact CG-CG 4.12Å; E577-W582 HydrophobicContact CG-CH2 4.31Å; E577-W582 HydrophobicContact CG-CZ2 3.68Å; E577-W582 PolarHBondContact OE1-N 3.05Å; E577-L583 HydrophobicContact CG-CB 4.48Å; E577-L583 HydrophobicContact CG-CD1 3.86Å; E577-L583 HydrophobicContact CG-CG 3.83Å; E577-L583 WeakPolarHBondContact OE1-CB 3.4Å; E577-L583 PolarHBondContact OE1-N 3.17Å
578E97.4Very high97.6Very high120 Ų12042.1 Ų42.156%0.56122%0.221SC*.Hα-helixtrans-59.5-38.4173.9-169.3166.616900112.7R184 Q574 H575 L576R184-E578 IonicContact CZ-OE2 3.08Å; R184-E578 VanDerWaalsContact NH1-CA 3.28Å; R184-E578 IonicContact NH2-OE2 3.57Å; R184-E578 PolarHBondContact NH2-OE2 3.46Å; Q574-E578 PolarHBondContact O-N 3.36Å; H575-E578 PolarHBondContact O-N 2.92Å; L576-E578 VanDerWaalsContact C-N 3.32Å; L576-E578 PolarHBondContact O-N 2.81Å
579R97.5Very high97.6Very high185 Ų18544.5 Ų44.570%0.69823%0.227SC*.Hα-helixtrans-71.3-41.2179.9-177.4175.5176.9-175.8-1.8113H575 L576 E577H575-R579 PolarHBondContact O-N 2.99Å; H575-R579 VanDerWaalsContact O-N 3.16Å; L576-R579 PolarHBondContact O-N 2.93Å; E577-R579 PolarHBondContact O-N 3.38Å
580Y97.8Very high97.5Very high55 Ų5545.7 Ų45.722%0.21624%0.235CC..Hα-helixtrans-104.7-19.7-172-71.5-79.1000114.4L576 E577 V607 V635 A682L576-Y580 HydrophobicContact CD1-CD2 3.68Å; L576-Y580 HydrophobicContact CD1-CE2 3.49Å; L576-Y580 VanDerWaalsContact CD1-CE2 3.49Å; L576-Y580 HydrophobicContact CG-CD2 3.9Å; L576-Y580 HydrophobicContact CG-CE2 4.22Å; L576-Y580 WeakPolarHBondContact O-CD2 3.45Å; L576-Y580 PolarHBondContact O-N 3.23Å; E577-Y580 PolarHBondContact O-N 2.89Å; Y580-V607 HydrophobicContact CD1-CG2 3.41Å; Y580-V607 VanDerWaalsContact CD1-CG2 3.41Å; Y580-V607 HydrophobicContact CD2-CG2 4.32Å; Y580-V607 HydrophobicContact CE1-CG2 4.07Å; Y580-V607 HydrophobicContact CG-CG2 3.57Å; Y580-V635 HydrophobicContact CE2-CB 4.3Å; Y580-V635 HydrophobicContact CE2-CG1 4.38Å; Y580-V635 HydrophobicContact CE2-CG2 4.16Å; Y580-V635 WeakPolarHBondContact OH-CG1 3.44Å; Y580-A682 HydrophobicContact CD1-CB 4.43Å; Y580-A682 HydrophobicContact CE1-CB 3.46Å; Y580-A682 VanDerWaalsContact CE1-CB 3.46Å; Y580-A682 WeakPolarHBondContact OH-CB 3.48Å
581G97.7Very high97.4Very high23 Ų2346.5 Ų46.524%0.23724%0.24CC..  trans65.936.3171.200000114.8E577 L583 A584 A585E577-G581 VanDerWaalsContact O-CA 3.23Å; E577-G581 WeakPolarHBondContact O-CA 3.48Å; E577-G581 PolarHBondContact O-N 3.41Å; E577-G581 WeakPolarHBondContact OE1-CA 3.3Å; G581-L583 VanDerWaalsContact C-N 3.34Å; G581-L583 PolarHBondContact O-N 3.22Å; G581-A584 PolarHBondContact O-N 2.9Å; G581-A585 PolarHBondContact O-N 3Å
582W98Very high97.4Very high0 Ų045 Ų450%024%0.235CC..THydrogen-bonded Turntrans-71-24.5-174.562.271.6000114.3F511 H514 T515 L576 E577 A584 A585 R604 A605 F609F511-W582 HydrophobicContact CE2-CH2 4.37Å; F511-W582 HydrophobicContact CE2-CZ2 4.28Å; H514-W582 AromaticContact CE1-CZ2 3.91Å; H514-W582 AromaticContact CE1-NE1 3.84Å; H514-W582 AromaticContact ND1-CE2 3.63Å; H514-W582 AromaticContact ND1-CZ2 3.5Å; H514-W582 AromaticContact ND1-NE1 3.2Å; H514-W582 PolarHBondContact ND1-NE1 3.49Å; H514-W582 PolarHBondContact O-NE1 3.49Å; H514-W582 VanDerWaalsContact O-NE1 3.09Å; T515-W582 HydrophobicContact CG2-CD2 4.41Å; T515-W582 HydrophobicContact CG2-CZ2 3.89Å; L576-W582 HydrophobicContact CB-CH2 3.87Å; L576-W582 HydrophobicContact CB-CZ3 4.26Å; L576-W582 HydrophobicContact CD2-CH2 3.78Å; L576-W582 HydrophobicContact CD2-CZ3 3.93Å; L576-W582 HydrophobicContact CG-CH2 3.81Å; L576-W582 HydrophobicContact CG-CZ3 3.78Å; L576-W582 WeakPolarHBondContact O-CZ3 3.44Å; E577-W582 HydrophobicContact CB-CD2 4.25Å; E577-W582 HydrophobicContact CB-CH2 3.72Å; E577-W582 HydrophobicContact CB-CZ2 3.39Å; E577-W582 HydrophobicContact CB-CZ3 4.28Å; E577-W582 HydrophobicContact CG-CD2 3.77Å; E577-W582 HydrophobicContact CG-CE3 4.39Å; E577-W582 HydrophobicContact CG-CG 4.12Å; E577-W582 HydrophobicContact CG-CH2 4.31Å; E577-W582 HydrophobicContact CG-CZ2 3.68Å; E577-W582 PolarHBondContact OE1-N 3.05Å; W582-A584 VanDerWaalsContact C-N 3.33Å; W582-A585 WeakPolarHBondContact O-CB 3.35Å; W582-A585 PolarHBondContact O-N 2.81Å; W582-R604 HydrophobicContact CB-CG 4.16Å; W582-R604 PolarHBondContact O-NE 2.99Å; W582-R604 PolarHBondContact O-NH2 2.99Å; W582-A605 HydrophobicContact CB-CB 3.76Å; W582-F609 AromaticContact CD2-CZ 3.88Å; W582-F609 HydrophobicContact CD2-CZ 3.88Å; W582-F609 HydrophobicContact CE3-CE1 4.3Å; W582-F609 AromaticContact CE3-CZ 3.69Å; W582-F609 HydrophobicContact CE3-CZ 3.69Å; W582-F609 HydrophobicContact CG-CZ 4.3Å; W582-F609 HydrophobicContact CZ3-CE1 4.32Å; W582-F609 HydrophobicContact CZ3-CZ 4.13Å
583L97.9Very high97.3Very high1 Ų148.6 Ų48.61%0.00525%0.245CC..THydrogen-bonded Turntrans-67.2-37.4175.2-66.7171.5000111R184 H514 E519 E577 G581 A585R184-L583 HydrophobicContact CG-CD1 3.83Å; H514-L583 VanDerWaalsContact O-CD2 3.3Å; H514-L583 WeakPolarHBondContact O-CD2 3.38Å; E519-L583 VanDerWaalsContact CA-O 3.29Å; E519-L583 WeakPolarHBondContact CA-O 3.36Å; E577-L583 HydrophobicContact CG-CB 4.48Å; E577-L583 HydrophobicContact CG-CD1 3.86Å; E577-L583 HydrophobicContact CG-CG 3.83Å; E577-L583 WeakPolarHBondContact OE1-CB 3.4Å; E577-L583 PolarHBondContact OE1-N 3.17Å; G581-L583 VanDerWaalsContact C-N 3.34Å; G581-L583 PolarHBondContact O-N 3.22Å; L583-A585 VanDerWaalsContact C-N 3.28Å; L583-A585 PolarHBondContact O-N 2.73Å
584A96.5Very high97.2Very high56 Ų5651.2 Ų51.246%0.46326%0.259SS..THydrogen-bonded Turntrans-76.1-12.5173.200000114K181 S182 G581 W582K181-A584 HydrophobicContact CB-CB 4.19Å; K181-A584 VanDerWaalsContact O-CB 3.31Å; K181-A584 WeakPolarHBondContact O-CB 3.36Å; S182-A584 WeakPolarHBondContact OG-CB 3.27Å; S182-A584 PolarHBondContact OG-N 3.14Å; G581-A584 PolarHBondContact O-N 2.9Å; W582-A584 VanDerWaalsContact C-N 3.33Å
585A96.8Very high97.2Very high17 Ų1754.5 Ų54.514%0.1427%0.274CS..SBendtrans-84154.8-177.900000111.7G581 W582 L583 R604 A605G581-A585 PolarHBondContact O-N 3Å; W582-A585 WeakPolarHBondContact O-CB 3.35Å; W582-A585 PolarHBondContact O-N 2.81Å; L583-A585 VanDerWaalsContact C-N 3.28Å; L583-A585 PolarHBondContact O-N 2.73Å; A585-R604 HydrophobicContact CB-CG 4.48Å; A585-R604 PolarHBondContact O-NH2 2.86Å; A585-R604 VanDerWaalsContact O-NH2 3.11Å; A585-A605 HydrophobicContact CB-CB 3.63Å
586P94.1Very high97.1Very high115 Ų11553.1 Ų53.175%0.74728%0.284SS*.PPolyproline II helixtrans-51.1159.5170.8-26.635000113.1R604P586-R604 PolarHBondContact O-NE 3.21Å
587Q93.4Very high97Very high68 Ų6853.3 Ų53.332%0.31829%0.285SS..PPolyproline II helixtrans-49141.5178.5-179.368-67.300112.1
588A96.4Very high96.9Very high12 Ų1254.3 Ų54.310%0.09929%0.289CS..PPolyproline II helixtrans-63.4151179.400000112.4L516 F602 E603 R604L516-A588 HydrophobicContact CD1-CB 3.52Å; A588-F602 HydrophobicContact CB-CB 4.26Å; A588-F602 HydrophobicContact CB-CD2 3.7Å; A588-F602 HydrophobicContact CB-CE2 4.42Å; A588-F602 HydrophobicContact CB-CG 4.27Å; A588-E603 WeakPolarHBondContact CA-O 3.22Å; A588-R604 HydrophobicContact CB-CB 3.82Å; A588-R604 HydrophobicContact CB-CG 4.1Å
589Y97.2Very high97Very high89 Ų8948.6 Ų48.635%0.34926%0.262SS..EExtended strand (participates in β ladder)trans-94.4111.8164.8-178-87.8000109.8S591 F602 E603 N664 R665Y589-S591 PolarHBondContact O-N 3.17Å; Y589-F602 CarbonylContact O-C 3.47Å; Y589-F602 WeakPolarHBondContact O-CA 3.47Å; Y589-F602 WeakPolarHBondContact O-CB 3.32Å; Y589-E603 PolarHBondContact N-O 2.73Å; Y589-E603 PolarHBondContact O-N 2.98Å; Y589-N664 WeakPolarHBondContact OH-CB 3.15Å; Y589-R665 HydrophobicContact CE1-CG 4.28Å; Y589-R665 VanDerWaalsContact CE1-NE 3.32Å; Y589-R665 VanDerWaalsContact CG-CZ 3.49Å
590V98.1Very high97.1Very high26 Ų2639.8 Ų39.816%0.15823%0.229CC..EExtended strand (participates in β ladder)trans-86.596.6178.8-172.20000110.6V447 L516 R592 K593 F602V447-V590 HydrophobicContact CG1-CB 4.31Å; V447-V590 HydrophobicContact CG1-CG1 4.04Å; V447-V590 HydrophobicContact CG1-CG2 3.91Å; V447-V590 HydrophobicContact CG2-CG1 4.44Å; L516-V590 HydrophobicContact CD1-CG2 3.93Å; L516-V590 HydrophobicContact CD2-CG2 4.34Å; V590-R592 VanDerWaalsContact CG1-O 3.31Å; V590-R592 WeakPolarHBondContact CG1-O 3.03Å; V590-K593 HydrophobicContact CG1-CB 4.44Å; V590-K593 HydrophobicContact CG1-CG 4.38Å; V590-F602 HydrophobicContact CB-CB 4.21Å; V590-F602 HydrophobicContact CG1-CB 4.4Å; V590-F602 HydrophobicContact CG2-CB 3.94Å
591S96.7Very high97.1Very high16 Ų1637.1 Ų37.111%0.11222%0.219CC..EExtended strand (participates in β ladder)trans-71-32.7176.255.30000111.5Y589 A601 D663Y589-S591 PolarHBondContact O-N 3.17Å; S591-A601 PolarHBondContact N-O 3Å; S591-A601 VanDerWaalsContact N-O 3.14Å; S591-A601 PolarHBondContact OG-O 2.79Å; S591-D663 WeakPolarHBondContact O-CB 3.49Å
592R97.4Very high97.2Very high38 Ų3836 Ų3614%0.14321%0.207CC..EExtended strand (participates in β ladder)trans-140.7138.7-175.6-158167-173.4113.1-10.3114.5V590 N594 D597 I600 A601 Y622 D663V590-R592 VanDerWaalsContact CG1-O 3.31Å; V590-R592 WeakPolarHBondContact CG1-O 3.03Å; R592-N594 HydrophobicContact CG-CB 4.43Å; R592-D597 IonicContact CZ-OD2 2.59Å; R592-D597 IonicContact NE-OD2 3.93Å; R592-D597 IonicContact NH2-OD2 3.49Å; R592-D597 PolarHBondContact NH2-OD2 2.92Å; R592-D597 VanDerWaalsContact NH2-OD2 3.11Å; R592-I600 WeakPolarHBondContact O-CA 3.49Å; R592-A601 HydrophobicContact CB-CB 3.92Å; R592-A601 PolarHBondContact N-O 2.74Å; R592-A601 PolarHBondContact O-N 2.72Å; R592-Y622 WeakPolarHBondContact CD-OH 3.48Å; R592-Y622 PolarHBondContact NE-OH 2.91Å; R592-Y622 PolarHBondContact NH2-OH 3.08Å; R592-Y622 VanDerWaalsContact NH2-OH 3.08Å; R592-D663 WeakPolarHBondContact CD-OD2 3.34Å; R592-D663 IonicContact CZ-OD2 3.84Å; R592-D663 IonicContact NH1-OD1 2.71Å; R592-D663 PolarHBondContact NH1-OD1 2.8Å; R592-D663 IonicContact NH1-OD2 3.91Å; R592-D663 PolarHBondContact NH1-OD2 3.38Å
593K97.4Very high97.2Very high101 Ų10137.1 Ų37.144%0.43921%0.212SC..EExtended strand (participates in β ladder)trans-157.681.8175.244.1173.8178.8-69.30108.5V447 V590V447-K593 HydrophobicContact CB-CD 4.14Å; V447-K593 HydrophobicContact CG1-CD 4.03Å; V447-K593 HydrophobicContact CG2-CB 4.06Å; V590-K593 HydrophobicContact CG1-CB 4.44Å; V590-K593 HydrophobicContact CG1-CG 4.38Å
594N97.4Very high97.2Very high54 Ų5437.3 Ų37.329%0.28921%0.213SC..  trans-106.4130.6-168.3175.9-43.3000111.5R592 G596 D597 K598 V599R592-N594 HydrophobicContact CG-CB 4.43Å; N594-G596 WeakPolarHBondContact OD1-CA 3.31Å; N594-G596 PolarHBondContact OD1-N 3.12Å; N594-D597 WeakPolarHBondContact CB-OD1 3.5Å; N594-D597 PolarHBondContact ND2-OD2 3.01Å; N594-D597 PolarHBondContact OD1-N 2.85Å; N594-D597 PolarHBondContact OD1-OD1 2.9Å; N594-K598 WeakPolarHBondContact O-CA 3.35Å; N594-K598 PolarHBondContact O-N 3.06Å; N594-K598 VanDerWaalsContact O-N 3.07Å; N594-V599 PolarHBondContact N-O 2.89Å
595E97.3Very high97.2Very high69 Ų6936.5 Ų36.532%0.32221%0.206SC..THydrogen-bonded Turntrans-77-28.5-174.8-60.4-51.5144.400114.3N442 M443 G444 K598N442-E595 VanDerWaalsContact CA-OE2 3.26Å; N442-E595 WeakPolarHBondContact CA-OE2 3.43Å; N442-E595 PolarHBondContact OD1-OE1 2.87Å; M443-E595 PolarHBondContact N-OE1 3.39Å; M443-E595 VanDerWaalsContact N-OE1 3.15Å; M443-E595 PolarHBondContact N-OE2 2.93Å; G444-E595 PolarHBondContact N-OE1 2.87Å; E595-K598 VanDerWaalsContact O-CD 3.26Å; E595-K598 WeakPolarHBondContact O-CD 3.25Å; E595-K598 WeakPolarHBondContact O-CE 3.41Å; E595-K598 PolarHBondContact O-NZ 3.1Å
596G96.3Very high97.1Very high57 Ų5738.3 Ų38.359%0.58823%0.227SC*.THydrogen-bonded Turntrans-82.3-52.4-177.300000111.6N594 K598N594-G596 WeakPolarHBondContact OD1-CA 3.31Å; N594-G596 PolarHBondContact OD1-N 3.12Å; G596-K598 VanDerWaalsContact C-N 3.35Å
597D96.5Very high97.3Very high18 Ų1832.9 Ų32.910%0.09619%0.191CC..THydrogen-bonded Turntrans-84.5-10.218062.734.7000113.5R592 N594 V599 F619 Y622R592-D597 IonicContact CZ-OD2 2.59Å; R592-D597 IonicContact NE-OD2 3.93Å; R592-D597 IonicContact NH2-OD2 3.49Å; R592-D597 PolarHBondContact NH2-OD2 2.92Å; R592-D597 VanDerWaalsContact NH2-OD2 3.11Å; N594-D597 WeakPolarHBondContact CB-OD1 3.5Å; N594-D597 PolarHBondContact ND2-OD2 3.01Å; N594-D597 PolarHBondContact OD1-N 2.85Å; N594-D597 PolarHBondContact OD1-OD1 2.9Å; D597-V599 HydrophobicContact CB-CG2 4.39Å; D597-V599 PolarHBondContact O-N 2.83Å; D597-V599 WeakPolarHBondContact OD1-CB 3.4Å; D597-V599 PolarHBondContact OD1-N 2.6Å; D597-F619 HydrophobicContact CB-CE1 4.01Å; D597-F619 HydrophobicContact CB-CE2 4.15Å; D597-F619 HydrophobicContact CB-CZ 3.48Å; D597-F619 VanDerWaalsContact CB-CZ 3.48Å; D597-Y622 HydrophobicContact CB-CE2 4.33Å; D597-Y622 PolarHBondContact OD1-OH 2.81Å; D597-Y622 PolarHBondContact OD2-OH 2.82Å
598K98.2Very high97.6Very high20 Ų2029.7 Ų29.79%0.08718%0.177CC..  trans58.327.4-179-55.1-62-174.2-170.10113.9E439 W441 M443 N594 E595 G596 F613 H614E439-K598 WeakPolarHBondContact O-CE 3.44Å; E439-K598 PolarHBondContact O-NZ 2.82Å; W441-K598 PolarHBondContact O-NZ 2.79Å; M443-K598 HydrophobicContact CE-CD 4.34Å; M443-K598 HydrophobicContact CG-CB 4.45Å; M443-K598 HydrophobicContact CG-CD 3.98Å; N594-K598 WeakPolarHBondContact O-CA 3.35Å; N594-K598 PolarHBondContact O-N 3.06Å; N594-K598 VanDerWaalsContact O-N 3.07Å; E595-K598 VanDerWaalsContact O-CD 3.26Å; E595-K598 WeakPolarHBondContact O-CD 3.25Å; E595-K598 WeakPolarHBondContact O-CE 3.41Å; E595-K598 PolarHBondContact O-NZ 3.1Å; G596-K598 VanDerWaalsContact C-N 3.35Å; K598-F613 HydrophobicContact CB-CB 4.07Å; K598-F613 WeakPolarHBondContact O-CB 3.38Å; K598-F613 PolarHBondContact O-N 3.25Å; K598-H614 HydrophobicContact CB-CB 4.04Å; K598-H614 HydrophobicContact CG-CB 4.39Å
599V98.5Very high97.7Very high0 Ų029.1 Ų29.10%017%0.172CC..EExtended strand (participates in β ladder)trans-94.7132.4176.8178.60000110.8N594 D597 V610 F611 F619 Y622 L673N594-V599 PolarHBondContact N-O 2.89Å; D597-V599 HydrophobicContact CB-CG2 4.39Å; D597-V599 PolarHBondContact O-N 2.83Å; D597-V599 WeakPolarHBondContact OD1-CB 3.4Å; D597-V599 PolarHBondContact OD1-N 2.6Å; V599-V610 HydrophobicContact CG1-CG1 4.28Å; V599-F611 VanDerWaalsContact CA-O 3.26Å; V599-F611 WeakPolarHBondContact CA-O 3.41Å; V599-F619 HydrophobicContact CG2-CD2 4.37Å; V599-F619 HydrophobicContact CG2-CE2 4.15Å; V599-Y622 HydrophobicContact CB-CE1 4.16Å; V599-Y622 VanDerWaalsContact CB-OH 3.29Å; V599-Y622 WeakPolarHBondContact CB-OH 3.13Å; V599-Y622 HydrophobicContact CG1-CE1 3.75Å; V599-Y622 HydrophobicContact CG2-CE1 4.23Å; V599-Y622 HydrophobicContact CG2-CE2 3.91Å; V599-L673 HydrophobicContact CG1-CD1 4.14Å; V599-L673 HydrophobicContact CG2-CD1 4.23Å
600I98.8Very high97.8Very high0 Ų025 Ų250%016%0.156CC..EExtended strand (participates in β ladder)trans-115.2131.6168.2-64.2168.4000107.9M443 L446 V447 I512 R592 F602 V610 F611 F613M443-I600 HydrophobicContact CB-CD1 4.07Å; M443-I600 HydrophobicContact CB-CG1 4.03Å; M443-I600 HydrophobicContact CG-CD1 4.35Å; M443-I600 HydrophobicContact CG-CG1 4.32Å; M443-I600 HydrophobicContact SD-CD1 3.66Å; M443-I600 HydrophobicContact SD-CG1 4.08Å; L446-I600 HydrophobicContact CD2-CD1 4.15Å; V447-I600 HydrophobicContact CG2-CD1 3.79Å; V447-I600 HydrophobicContact CG2-CG1 4.11Å; V447-I600 HydrophobicContact CG2-CG2 3.88Å; I512-I600 HydrophobicContact CD1-CD1 3.71Å; I512-I600 HydrophobicContact CD1-CG2 4.19Å; R592-I600 WeakPolarHBondContact O-CA 3.49Å; I600-F602 HydrophobicContact CG2-CD1 3.88Å; I600-F602 HydrophobicContact CG2-CE1 4.1Å; I600-V610 WeakPolarHBondContact O-CA 3.26Å; I600-F611 HydrophobicContact CB-CB 4.37Å; I600-F611 PolarHBondContact N-O 2.95Å; I600-F611 PolarHBondContact O-N 3.03Å; I600-F613 HydrophobicContact CD1-CD2 4.17Å; I600-F613 HydrophobicContact CD1-CE2 4Å
601A98.6Very high97.8Very high0 Ų023.8 Ų23.80%015%0.148CC..EExtended strand (participates in β ladder)trans-138.1139.4173.800000111S591 R592 F609 V610 I624S591-A601 PolarHBondContact N-O 3Å; S591-A601 VanDerWaalsContact N-O 3.14Å; S591-A601 PolarHBondContact OG-O 2.79Å; R592-A601 HydrophobicContact CB-CB 3.92Å; R592-A601 PolarHBondContact N-O 2.74Å; R592-A601 PolarHBondContact O-N 2.72Å; A601-F609 VanDerWaalsContact CA-O 3.26Å; A601-F609 WeakPolarHBondContact CA-O 3.49Å; A601-V610 HydrophobicContact CB-CG2 4.45Å; A601-I624 HydrophobicContact CB-CD1 4.41Å; A601-I624 HydrophobicContact CB-CG2 3.77Å
602F98.7Very high97.9Very high0 Ų023 Ų230%014%0.143CC..EExtended strand (participates in β ladder)trans-156.2157.2179.156.3-92.5000112.1I512 T515 L516 A588 Y589 V590 I600 F609 F611I512-F602 HydrophobicContact CG1-CE1 4.21Å; I512-F602 HydrophobicContact CG1-CZ 4.5Å; T515-F602 VanDerWaalsContact OG1-CZ 3.31Å; T515-F602 WeakPolarHBondContact OG1-CZ 3.39Å; L516-F602 HydrophobicContact CB-CE1 4.33Å; L516-F602 HydrophobicContact CB-CE2 4.27Å; L516-F602 HydrophobicContact CB-CZ 3.91Å; L516-F602 HydrophobicContact CD1-CD2 4.32Å; L516-F602 HydrophobicContact CD1-CE2 4.37Å; L516-F602 HydrophobicContact CD1-CG 4.41Å; L516-F602 HydrophobicContact CD2-CD1 4.31Å; L516-F602 HydrophobicContact CD2-CE1 4.08Å; L516-F602 HydrophobicContact CD2-CZ 4.48Å; A588-F602 HydrophobicContact CB-CB 4.26Å; A588-F602 HydrophobicContact CB-CD2 3.7Å; A588-F602 HydrophobicContact CB-CE2 4.42Å; A588-F602 HydrophobicContact CB-CG 4.27Å; Y589-F602 CarbonylContact O-C 3.47Å; Y589-F602 WeakPolarHBondContact O-CA 3.47Å; Y589-F602 WeakPolarHBondContact O-CB 3.32Å; V590-F602 HydrophobicContact CB-CB 4.21Å; V590-F602 HydrophobicContact CG1-CB 4.4Å; V590-F602 HydrophobicContact CG2-CB 3.94Å; I600-F602 HydrophobicContact CG2-CD1 3.88Å; I600-F602 HydrophobicContact CG2-CE1 4.1Å; F602-F609 HydrophobicContact CD1-CB 4.42Å; F602-F609 HydrophobicContact CD2-CB 3.94Å; F602-F609 AromaticContact CD2-CD2 3.71Å; F602-F609 HydrophobicContact CD2-CD2 3.71Å; F602-F609 HydrophobicContact CD2-CG 4.17Å; F602-F609 HydrophobicContact CE1-CB 4.08Å; F602-F609 HydrophobicContact CE2-CB 3.55Å; F602-F609 AromaticContact CE2-CD2 3.41Å; F602-F609 HydrophobicContact CE2-CD2 3.41Å; F602-F609 VanDerWaalsContact CE2-CD2 3.41Å; F602-F609 HydrophobicContact CE2-CE2 4.26Å; F602-F609 AromaticContact CE2-CG 3.6Å; F602-F609 HydrophobicContact CE2-CG 3.6Å; F602-F609 HydrophobicContact CG-CB 4.36Å; F602-F609 HydrophobicContact CZ-CB 3.63Å; F602-F609 HydrophobicContact CZ-CD2 4.29Å; F602-F609 HydrophobicContact CZ-CG 4.03Å; F602-F609 PolarHBondContact N-O 2.82Å; F602-F609 PolarHBondContact O-N 2.79Å; F602-F611 AromaticContact CE1-CD2 3.92Å; F602-F611 HydrophobicContact CE1-CD2 3.92Å; F602-F611 AromaticContact CE1-CE2 3.46Å; F602-F611 HydrophobicContact CE1-CE2 3.46Å; F602-F611 VanDerWaalsContact CE1-CE2 3.46Å; F602-F611 HydrophobicContact CE1-CZ 4.48Å; F602-F611 HydrophobicContact CZ-CD2 4.49Å; F602-F611 AromaticContact CZ-CE2 3.6Å; F602-F611 HydrophobicContact CZ-CE2 3.6Å; F602-F611 HydrophobicContact CZ-CZ 4.32Å
603E98.1Very high97.9Very high22 Ų2221.4 Ų21.410%0.10314%0.137CC..EExtended strand (participates in β ladder)trans-111132.3174.6-69.1163.5108.800110.2A588 Y589 V607 L608 V626 E627 R665A588-E603 WeakPolarHBondContact CA-O 3.22Å; Y589-E603 PolarHBondContact N-O 2.73Å; Y589-E603 PolarHBondContact O-N 2.98Å; E603-V607 VanDerWaalsContact CA-O 3.3Å; E603-V607 WeakPolarHBondContact CA-O 3.41Å; E603-L608 HydrophobicContact CG-CB 4.49Å; E603-L608 HydrophobicContact CG-CD1 4.06Å; E603-V626 WeakPolarHBondContact OE1-CA 3.22Å; E603-E627 PolarHBondContact OE1-N 3.29Å; E603-R665 IonicContact OE2-CZ 2.94Å; E603-R665 IonicContact OE2-NE 3.29Å; E603-R665 PolarHBondContact OE2-NE 3.11Å; E603-R665 IonicContact OE2-NH2 3.73Å; E603-R665 PolarHBondContact OE2-NH2 3.28Å
604R97.8Very high98Very high6 Ų618.1 Ų18.12%0.02312%0.123CC..EExtended strand (participates in β ladder)trans-147.7136.4173.9-163.4179.1-176.7-173.1-6.8109.5T515 G518 W582 A585 P586 A588 G606 V607 F609T515-R604 WeakPolarHBondContact O-CD 3.5Å; T515-R604 PolarHBondContact O-NH1 3.44Å; G518-R604 PolarHBondContact O-NH1 3.08Å; G518-R604 PolarHBondContact O-NH2 3.5Å; W582-R604 HydrophobicContact CB-CG 4.16Å; W582-R604 PolarHBondContact O-NE 2.99Å; W582-R604 PolarHBondContact O-NH2 2.99Å; A585-R604 HydrophobicContact CB-CG 4.48Å; A585-R604 PolarHBondContact O-NH2 2.86Å; A585-R604 VanDerWaalsContact O-NH2 3.11Å; P586-R604 PolarHBondContact O-NE 3.21Å; A588-R604 HydrophobicContact CB-CB 3.82Å; A588-R604 HydrophobicContact CB-CG 4.1Å; R604-G606 PolarHBondContact O-N 3.36Å; R604-V607 PolarHBondContact N-O 2.88Å; R604-V607 WeakPolarHBondContact O-CB 3.24Å; R604-V607 PolarHBondContact O-N 3.36Å; R604-F609 HydrophobicContact CB-CD2 4.48Å; R604-F609 HydrophobicContact CB-CE2 4Å
605A96.8Very high97.9Very high39 Ų3916.2 Ų16.232%0.32211%0.114SC..THydrogen-bonded Turntrans52.635.3179.700000115.3W582 A585 V607W582-A605 HydrophobicContact CB-CB 3.76Å; A585-A605 HydrophobicContact CB-CB 3.63Å; A605-V607 PolarHBondContact O-N 3.05Å
606G96Very high97.9Very high55 Ų5518.2 Ų18.257%0.56713%0.131SC*.THydrogen-bonded Turntrans746.8-177.300000114.8R604R604-G606 PolarHBondContact O-N 3.36Å
607V98.4Very high97.9Very high1 Ų119.7 Ų19.71%0.00612%0.122CC..EExtended strand (participates in β ladder)trans-106.7133.4176.4-175.30000109.4Y580 E603 R604 A605 F609 A680 L681Y580-V607 HydrophobicContact CD1-CG2 3.41Å; Y580-V607 VanDerWaalsContact CD1-CG2 3.41Å; Y580-V607 HydrophobicContact CD2-CG2 4.32Å; Y580-V607 HydrophobicContact CE1-CG2 4.07Å; Y580-V607 HydrophobicContact CG-CG2 3.57Å; E603-V607 VanDerWaalsContact CA-O 3.3Å; E603-V607 WeakPolarHBondContact CA-O 3.41Å; R604-V607 PolarHBondContact N-O 2.88Å; R604-V607 WeakPolarHBondContact O-CB 3.24Å; R604-V607 PolarHBondContact O-N 3.36Å; A605-V607 PolarHBondContact O-N 3.05Å; V607-F609 HydrophobicContact CB-CD2 4.4Å; V607-F609 HydrophobicContact CB-CE2 3.64Å; V607-F609 HydrophobicContact CB-CZ 3.71Å; V607-F609 HydrophobicContact CG1-CD1 4.29Å; V607-F609 HydrophobicContact CG1-CD2 4.22Å; V607-F609 HydrophobicContact CG1-CE1 3.8Å; V607-F609 HydrophobicContact CG1-CE2 3.72Å; V607-F609 HydrophobicContact CG1-CG 4.49Å; V607-F609 HydrophobicContact CG1-CZ 3.49Å; V607-F609 VanDerWaalsContact CG1-CZ 3.49Å; V607-A680 HydrophobicContact CG1-CB 3.83Å; V607-L681 CarbonylContact C-O 3.58Å; V607-L681 WeakPolarHBondContact CA-O 3.49Å; V607-L681 WeakPolarHBondContact CG1-O 3.32Å
608L98.5Very high98Very high1 Ų121 Ų211%0.00513%0.134CC..EExtended strand (participates in β ladder)trans-88.5121.7168.2171.365.7000108.8E603 V610 I624 V626 Y632 V669 L671 A680 L681E603-L608 HydrophobicContact CG-CB 4.49Å; E603-L608 HydrophobicContact CG-CD1 4.06Å; L608-V610 HydrophobicContact CD1-CG2 4.17Å; L608-V610 HydrophobicContact CD2-CG2 4.05Å; L608-V610 HydrophobicContact CG-CG2 3.84Å; L608-I624 HydrophobicContact CD1-CG2 4.03Å; L608-I624 HydrophobicContact CD2-CG2 4.37Å; L608-V626 HydrophobicContact CD1-CG1 4.19Å; L608-V626 HydrophobicContact CD2-CG1 3.72Å; L608-V626 HydrophobicContact CG-CG1 4.4Å; L608-Y632 HydrophobicContact CB-CE1 4.3Å; L608-V669 HydrophobicContact CD2-CG2 3.91Å; L608-L671 HydrophobicContact CD2-CD1 4.5Å; L608-A680 CarbonylContact O-C 3.56Å; L608-A680 WeakPolarHBondContact O-CA 3.37Å; L608-L681 HydrophobicContact CB-CB 4.4Å; L608-L681 HydrophobicContact CD2-CD1 4.2Å; L608-L681 HydrophobicContact CG-CD1 4.43Å; L608-L681 PolarHBondContact N-O 3.14Å; L608-L681 PolarHBondContact O-N 3.29Å
609F98.7Very high98Very high0 Ų021.5 Ų21.50%014%0.136CC..EExtended strand (participates in β ladder)trans-106.5134.3173.4-58.2-88.7000109.9F511 T515 W582 A601 F602 R604 V607 F611 A680F511-F609 AromaticContact CE1-CD1 3.88Å; F511-F609 HydrophobicContact CE1-CD1 3.88Å; F511-F609 HydrophobicContact CE1-CE1 4.33Å; F511-F609 HydrophobicContact CE2-CE1 4.35Å; F511-F609 AromaticContact CZ-CD1 3.76Å; F511-F609 HydrophobicContact CZ-CD1 3.76Å; F511-F609 AromaticContact CZ-CE1 3.73Å; F511-F609 HydrophobicContact CZ-CE1 3.73Å; T515-F609 HydrophobicContact CG2-CD1 3.66Å; T515-F609 HydrophobicContact CG2-CE1 3.31Å; T515-F609 HydrophobicContact CG2-CG 4.44Å; T515-F609 HydrophobicContact CG2-CZ 3.84Å; W582-F609 AromaticContact CD2-CZ 3.88Å; W582-F609 HydrophobicContact CD2-CZ 3.88Å; W582-F609 HydrophobicContact CE3-CE1 4.3Å; W582-F609 AromaticContact CE3-CZ 3.69Å; W582-F609 HydrophobicContact CE3-CZ 3.69Å; W582-F609 HydrophobicContact CG-CZ 4.3Å; W582-F609 HydrophobicContact CZ3-CE1 4.32Å; W582-F609 HydrophobicContact CZ3-CZ 4.13Å; A601-F609 VanDerWaalsContact CA-O 3.26Å; A601-F609 WeakPolarHBondContact CA-O 3.49Å; F602-F609 HydrophobicContact CD1-CB 4.42Å; F602-F609 HydrophobicContact CD2-CB 3.94Å; F602-F609 AromaticContact CD2-CD2 3.71Å; F602-F609 HydrophobicContact CD2-CD2 3.71Å; F602-F609 HydrophobicContact CD2-CG 4.17Å; F602-F609 HydrophobicContact CE1-CB 4.08Å; F602-F609 HydrophobicContact CE2-CB 3.55Å; F602-F609 AromaticContact CE2-CD2 3.41Å; F602-F609 HydrophobicContact CE2-CD2 3.41Å; F602-F609 VanDerWaalsContact CE2-CD2 3.41Å; F602-F609 HydrophobicContact CE2-CE2 4.26Å; F602-F609 AromaticContact CE2-CG 3.6Å; F602-F609 HydrophobicContact CE2-CG 3.6Å; F602-F609 HydrophobicContact CG-CB 4.36Å; F602-F609 HydrophobicContact CZ-CB 3.63Å; F602-F609 HydrophobicContact CZ-CD2 4.29Å; F602-F609 HydrophobicContact CZ-CG 4.03Å; F602-F609 PolarHBondContact N-O 2.82Å; F602-F609 PolarHBondContact O-N 2.79Å; R604-F609 HydrophobicContact CB-CD2 4.48Å; R604-F609 HydrophobicContact CB-CE2 4Å; V607-F609 HydrophobicContact CB-CD2 4.4Å; V607-F609 HydrophobicContact CB-CE2 3.64Å; V607-F609 HydrophobicContact CB-CZ 3.71Å; V607-F609 HydrophobicContact CG1-CD1 4.29Å; V607-F609 HydrophobicContact CG1-CD2 4.22Å; V607-F609 HydrophobicContact CG1-CE1 3.8Å; V607-F609 HydrophobicContact CG1-CE2 3.72Å; V607-F609 HydrophobicContact CG1-CG 4.49Å; V607-F609 HydrophobicContact CG1-CZ 3.49Å; V607-F609 VanDerWaalsContact CG1-CZ 3.49Å; F609-F611 HydrophobicContact CB-CE2 3.84Å; F609-A680 HydrophobicContact CD1-CB 3.86Å; F609-A680 HydrophobicContact CE1-CB 3.89Å
610V98.7Very high97.8Very high2 Ų226.6 Ų26.61%0.01217%0.167CC..EExtended strand (participates in β ladder)trans-135.1130.6-178.8-170.90000109.4V599 I600 A601 L608 I624 L671 L673 C678 M679 L681V599-V610 HydrophobicContact CG1-CG1 4.28Å; I600-V610 WeakPolarHBondContact O-CA 3.26Å; A601-V610 HydrophobicContact CB-CG2 4.45Å; L608-V610 HydrophobicContact CD1-CG2 4.17Å; L608-V610 HydrophobicContact CD2-CG2 4.05Å; L608-V610 HydrophobicContact CG-CG2 3.84Å; V610-I624 HydrophobicContact CB-CD1 4.11Å; V610-I624 HydrophobicContact CG1-CD1 3.45Å; V610-I624 VanDerWaalsContact CG1-CD1 3.45Å; V610-I624 HydrophobicContact CG2-CD1 3.46Å; V610-I624 VanDerWaalsContact CG2-CD1 3.46Å; V610-L671 HydrophobicContact CG2-CD1 3.89Å; V610-L673 HydrophobicContact CG1-CD1 3.8Å; V610-L673 HydrophobicContact CG1-CD2 3.69Å; V610-L673 HydrophobicContact CG1-CG 4.42Å; V610-C678 CarbonylContact O-C 3.55Å; V610-C678 WeakPolarHBondContact O-CA 3.28Å; V610-C678 WeakPolarHBondContact O-CB 3.26Å; V610-M679 HydrophobicContact CB-CG 3.9Å; V610-M679 HydrophobicContact CG2-CG 4.41Å; V610-M679 PolarHBondContact N-O 2.87Å; V610-M679 PolarHBondContact O-N 2.55Å; V610-L681 HydrophobicContact CG2-CD1 4.29Å
611F98.7Very high97.6Very high0 Ų032.2 Ų32.20%020%0.197CC..EExtended strand (participates in β ladder)trans-127.3126.2179.9-61.3-101.6000109.1L508 F511 I512 V599 I600 F602 F609 F613 C678L508-F611 HydrophobicContact CG-CD1 4.3Å; F511-F611 HydrophobicContact CB-CE1 4.04Å; F511-F611 HydrophobicContact CB-CZ 4.4Å; F511-F611 AromaticContact CD1-CE1 3.68Å; F511-F611 HydrophobicContact CD1-CE1 3.68Å; F511-F611 AromaticContact CD1-CZ 3.58Å; F511-F611 HydrophobicContact CD1-CZ 3.58Å; F511-F611 HydrophobicContact CE1-CZ 4.23Å; F511-F611 HydrophobicContact CG-CE1 4.23Å; F511-F611 HydrophobicContact CG-CZ 4.2Å; I512-F611 HydrophobicContact CB-CD1 4.04Å; I512-F611 HydrophobicContact CB-CE1 3.56Å; I512-F611 HydrophobicContact CB-CE2 4.25Å; I512-F611 HydrophobicContact CB-CZ 3.69Å; I512-F611 HydrophobicContact CD1-CD2 4.43Å; I512-F611 HydrophobicContact CD1-CG 4.48Å; I512-F611 HydrophobicContact CG1-CD2 4.36Å; I512-F611 HydrophobicContact CG1-CE1 4.23Å; I512-F611 HydrophobicContact CG1-CE2 4.05Å; I512-F611 HydrophobicContact CG1-CZ 4Å; V599-F611 VanDerWaalsContact CA-O 3.26Å; V599-F611 WeakPolarHBondContact CA-O 3.41Å; I600-F611 HydrophobicContact CB-CB 4.37Å; I600-F611 PolarHBondContact N-O 2.95Å; I600-F611 PolarHBondContact O-N 3.03Å; F602-F611 AromaticContact CE1-CD2 3.92Å; F602-F611 HydrophobicContact CE1-CD2 3.92Å; F602-F611 AromaticContact CE1-CE2 3.46Å; F602-F611 HydrophobicContact CE1-CE2 3.46Å; F602-F611 VanDerWaalsContact CE1-CE2 3.46Å; F602-F611 HydrophobicContact CE1-CZ 4.48Å; F602-F611 HydrophobicContact CZ-CD2 4.49Å; F602-F611 AromaticContact CZ-CE2 3.6Å; F602-F611 HydrophobicContact CZ-CE2 3.6Å; F602-F611 HydrophobicContact CZ-CZ 4.32Å; F609-F611 HydrophobicContact CB-CE2 3.84Å; F611-F613 HydrophobicContact CB-CD2 3.81Å; F611-F613 HydrophobicContact CB-CE2 3.46Å; F611-F613 VanDerWaalsContact CB-CE2 3.46Å; F611-F613 HydrophobicContact CB-CZ 4.44Å; F611-F613 HydrophobicContact CD1-CE2 4.02Å; F611-F613 HydrophobicContact CD1-CZ 4.25Å; F611-F613 AromaticContact CG-CE2 3.97Å; F611-F613 HydrophobicContact CG-CE2 3.97Å; F611-C678 HydrophobicContact CB-CB 4.47Å; F611-C678 HydrophobicContact CD1-CB 3.34Å; F611-C678 HydrophobicContact CE1-CB 3.58Å; F611-C678 HydrophobicContact CG-CB 3.96Å; F611-C678 HydrophobicContact CZ-CB 4.38Å
612N98.7Very high97.5Very high1 Ų133 Ų331%0.00520%0.2CC..EExtended strand (participates in β ladder)trans-104.898.4167.2-178.1-0.3000109.1H614 Q617 L673 P674 R676 T677N612-H614 VanDerWaalsContact C-N 3.27Å; N612-H614 WeakPolarHBondContact OD1-CB 3.43Å; N612-H614 PolarHBondContact OD1-N 3.31Å; N612-Q617 PolarHBondContact ND2-O 2.88Å; N612-L673 HydrophobicContact CB-CB 4.29Å; N612-L673 PolarHBondContact ND2-O 2.88Å; N612-P674 WeakPolarHBondContact CB-O 3.43Å; N612-P674 PolarHBondContact ND2-O 3.22Å; N612-R676 WeakPolarHBondContact O-CA 3.22Å; N612-R676 PolarHBondContact O-N 3.17Å; N612-T677 PolarHBondContact N-O 2.82Å; N612-T677 PolarHBondContact O-N 3.07Å
613F98.5Very high97.5Very high3 Ų334.3 Ų34.31%0.01321%0.206CC..  trans-81.5-3176.2-77.1-90000113.1W441 M443 L446 L508 I512 K598 I600 F611W441-F613 HydrophobicContact CE3-CD1 4.05Å; W441-F613 HydrophobicContact CE3-CE1 4.45Å; W441-F613 AromaticContact CZ3-CD1 3.93Å; W441-F613 HydrophobicContact CZ3-CD1 3.93Å; W441-F613 HydrophobicContact CZ3-CE1 4.06Å; M443-F613 HydrophobicContact CE-CB 4.26Å; M443-F613 HydrophobicContact CE-CG 4.43Å; M443-F613 HydrophobicContact SD-CB 3.84Å; M443-F613 HydrophobicContact SD-CD2 3.83Å; M443-F613 HydrophobicContact SD-CG 3.94Å; L446-F613 HydrophobicContact CD2-CZ 4.44Å; L508-F613 HydrophobicContact CB-CD1 4.47Å; L508-F613 HydrophobicContact CB-CE1 3.74Å; L508-F613 HydrophobicContact CB-CZ 3.95Å; L508-F613 HydrophobicContact CD2-CD1 3.77Å; L508-F613 HydrophobicContact CD2-CD2 4.35Å; L508-F613 HydrophobicContact CD2-CE1 3.83Å; L508-F613 HydrophobicContact CD2-CE2 4.4Å; L508-F613 HydrophobicContact CD2-CG 4.03Å; L508-F613 HydrophobicContact CD2-CZ 4.14Å; L508-F613 HydrophobicContact CG-CE1 4.34Å; L508-F613 HydrophobicContact CG-CZ 4.42Å; I512-F613 HydrophobicContact CD1-CE2 3.96Å; I512-F613 HydrophobicContact CD1-CZ 4.18Å; I512-F613 HydrophobicContact CG2-CZ 4.22Å; K598-F613 HydrophobicContact CB-CB 4.07Å; K598-F613 WeakPolarHBondContact O-CB 3.38Å; K598-F613 PolarHBondContact O-N 3.25Å; I600-F613 HydrophobicContact CD1-CD2 4.17Å; I600-F613 HydrophobicContact CD1-CE2 4Å; F611-F613 HydrophobicContact CB-CD2 3.81Å; F611-F613 HydrophobicContact CB-CE2 3.46Å; F611-F613 VanDerWaalsContact CB-CE2 3.46Å; F611-F613 HydrophobicContact CB-CZ 4.44Å; F611-F613 HydrophobicContact CD1-CE2 4.02Å; F611-F613 HydrophobicContact CD1-CZ 4.25Å; F611-F613 AromaticContact CG-CE2 3.97Å; F611-F613 HydrophobicContact CG-CE2 3.97Å
614H98.2Very high97.5Very high32 Ų3233.3 Ų33.315%0.14820%0.201CC..  trans-63.2132.5-177.9-159.7-58.2000109.9K598 N612 T616 Q617 S675 R676K598-H614 HydrophobicContact CB-CB 4.04Å; K598-H614 HydrophobicContact CG-CB 4.39Å; N612-H614 VanDerWaalsContact C-N 3.27Å; N612-H614 WeakPolarHBondContact OD1-CB 3.43Å; N612-H614 PolarHBondContact OD1-N 3.31Å; H614-T616 PolarHBondContact CE1-OG1 2.82Å; H614-T616 VanDerWaalsContact CE1-OG1 3.31Å; H614-T616 PolarHBondContact ND1-N 3.4Å; H614-T616 PolarHBondContact ND1-OG1 3.27Å; H614-T616 PolarHBondContact O-N 3.21Å; H614-Q617 HydrophobicContact CB-CB 4.22Å; H614-Q617 PolarHBondContact ND1-N 2.78Å; H614-Q617 PolarHBondContact NE2-OE1 3.1Å; H614-S675 WeakPolarHBondContact O-CB 3.34Å; H614-R676 PolarHBondContact O-N 3.05Å
615P96.5Very high97.4Very high15 Ų1533 Ų3310%0.09720%0.2CC..SBendtrans-68.7-15.5-175.723.6-36000115.3D438 E439 R676D438-P615 HydrophobicContact CB-CB 4.43Å; E439-P615 HydrophobicContact CB-CG 4.19Å; P615-R676 PolarHBondContact O-NH1 2.91Å
616T96.1Very high97.5Very high110 Ų11031.1 Ų31.168%0.67518%0.184SC*.SBendtrans-151.2-30.3-166.554.40000114.1H614 S618H614-T616 PolarHBondContact CE1-OG1 2.82Å; H614-T616 VanDerWaalsContact CE1-OG1 3.31Å; H614-T616 PolarHBondContact ND1-N 3.4Å; H614-T616 PolarHBondContact ND1-OG1 3.27Å; H614-T616 PolarHBondContact O-N 3.21Å; T616-S618 PolarHBondContact O-N 3.14Å
617Q97.4Very high97.6Very high88 Ų8830.7 Ų30.741%0.41117%0.167SC..  trans-82.2119.8-178.6-164.9170.615.900110.9N612 H614 F619N612-Q617 PolarHBondContact ND2-O 2.88Å; H614-Q617 HydrophobicContact CB-CB 4.22Å; H614-Q617 PolarHBondContact ND1-N 2.78Å; H614-Q617 PolarHBondContact NE2-OE1 3.1Å; Q617-F619 HydrophobicContact CB-CE2 4.26Å; Q617-F619 HydrophobicContact CB-CZ 4.02Å; Q617-F619 HydrophobicContact CG-CD1 4.31Å; Q617-F619 HydrophobicContact CG-CE1 3.69Å; Q617-F619 HydrophobicContact CG-CE2 4.04Å; Q617-F619 HydrophobicContact CG-CZ 3.52Å
618S98Very high97.5Very high47 Ų4733.8 Ų33.833%0.32919%0.186SC..  trans-98.6146.4165.6-59.30000108.9T616 L673 P674 S675T616-S618 PolarHBondContact O-N 3.14Å; S618-L673 CarbonylContact C-O 3.52Å; S618-L673 VanDerWaalsContact CA-O 3.3Å; S618-L673 WeakPolarHBondContact CA-O 3.34Å; S618-P674 WeakPolarHBondContact OG-CA 3.43Å; S618-S675 PolarHBondContact OG-N 2.88Å
619F97.9Very high97.4Very high30 Ų3037.4 Ų37.413%0.13221%0.21CC..EExtended strand (participates in β ladder)trans-119123.5-178.6-58.1-86.4000110.9D597 V599 Q617 Y622 Y672 L673D597-F619 HydrophobicContact CB-CE1 4.01Å; D597-F619 HydrophobicContact CB-CE2 4.15Å; D597-F619 HydrophobicContact CB-CZ 3.48Å; D597-F619 VanDerWaalsContact CB-CZ 3.48Å; V599-F619 HydrophobicContact CG2-CD2 4.37Å; V599-F619 HydrophobicContact CG2-CE2 4.15Å; Q617-F619 HydrophobicContact CB-CE2 4.26Å; Q617-F619 HydrophobicContact CB-CZ 4.02Å; Q617-F619 HydrophobicContact CG-CD1 4.31Å; Q617-F619 HydrophobicContact CG-CE1 3.69Å; Q617-F619 HydrophobicContact CG-CE2 4.04Å; Q617-F619 HydrophobicContact CG-CZ 3.52Å; F619-Y622 HydrophobicContact CB-CD2 3.55Å; F619-Y622 HydrophobicContact CB-CG 4.12Å; F619-Y622 AromaticContact CD1-CD2 3.81Å; F619-Y622 HydrophobicContact CD1-CD2 3.81Å; F619-Y622 HydrophobicContact CD1-CE2 4.09Å; F619-Y622 HydrophobicContact CD2-CD2 4.05Å; F619-Y622 HydrophobicContact CD2-CE2 4.29Å; F619-Y622 HydrophobicContact CE1-CE2 4.38Å; F619-Y622 AromaticContact CG-CD2 3.53Å; F619-Y622 HydrophobicContact CG-CD2 3.53Å; F619-Y622 HydrophobicContact CG-CE2 4.05Å; F619-Y622 HydrophobicContact CG-CG 4.49Å; F619-Y672 CarbonylContact O-C 3.38Å; F619-Y672 WeakPolarHBondContact O-CA 3.42Å; F619-Y672 VanDerWaalsContact O-CD2 3.24Å; F619-Y672 WeakPolarHBondContact O-CD2 3.48Å; F619-L673 HydrophobicContact CB-CB 4.41Å; F619-L673 PolarHBondContact N-O 3.41Å; F619-L673 PolarHBondContact O-N 2.82Å
620T95Very high97.3Very high106 Ų10638.9 Ų38.965%0.6523%0.225SC*.EExtended strand (participates in β ladder)trans-87.1138.9166.954.30000109.2Y622 Y672T620-Y622 VanDerWaalsContact C-N 3.29Å; T620-Y622 PolarHBondContact O-N 2.94Å; T620-Y672 HydrophobicContact CG2-CD2 3.95Å; T620-Y672 HydrophobicContact CG2-CE2 4.08Å
621D94.3Very high97.2Very high118 Ų11841.2 Ų41.263%0.63124%0.236SC*.EExtended strand (participates in β ladder)trans52.744.8178.8-55.3-51.7000113.3K623 F670 L671D621-K623 PolarHBondContact O-N 3.12Å; D621-F670 HydrophobicContact CB-CB 4.49Å; D621-F670 HydrophobicContact CB-CD1 4.12Å; D621-F670 WeakPolarHBondContact O-CD1 3.22Å; D621-L671 PolarHBondContact N-O 2.59Å
622Y97.3Very high97.1Very high17 Ų1741.4 Ų41.47%0.06724%0.237CC..EExtended strand (participates in β ladder)trans-71.7120.4177.5-165.3-85.9000110.4R592 D597 V599 F619 T620 I624 F670 L671 L673R592-Y622 WeakPolarHBondContact CD-OH 3.48Å; R592-Y622 PolarHBondContact NE-OH 2.91Å; R592-Y622 PolarHBondContact NH2-OH 3.08Å; R592-Y622 VanDerWaalsContact NH2-OH 3.08Å; D597-Y622 HydrophobicContact CB-CE2 4.33Å; D597-Y622 PolarHBondContact OD1-OH 2.81Å; D597-Y622 PolarHBondContact OD2-OH 2.82Å; V599-Y622 HydrophobicContact CB-CE1 4.16Å; V599-Y622 VanDerWaalsContact CB-OH 3.29Å; V599-Y622 WeakPolarHBondContact CB-OH 3.13Å; V599-Y622 HydrophobicContact CG1-CE1 3.75Å; V599-Y622 HydrophobicContact CG2-CE1 4.23Å; V599-Y622 HydrophobicContact CG2-CE2 3.91Å; F619-Y622 HydrophobicContact CB-CD2 3.55Å; F619-Y622 HydrophobicContact CB-CG 4.12Å; F619-Y622 AromaticContact CD1-CD2 3.81Å; F619-Y622 HydrophobicContact CD1-CD2 3.81Å; F619-Y622 HydrophobicContact CD1-CE2 4.09Å; F619-Y622 HydrophobicContact CD2-CD2 4.05Å; F619-Y622 HydrophobicContact CD2-CE2 4.29Å; F619-Y622 HydrophobicContact CE1-CE2 4.38Å; F619-Y622 AromaticContact CG-CD2 3.53Å; F619-Y622 HydrophobicContact CG-CD2 3.53Å; F619-Y622 HydrophobicContact CG-CE2 4.05Å; F619-Y622 HydrophobicContact CG-CG 4.49Å; T620-Y622 VanDerWaalsContact C-N 3.29Å; T620-Y622 PolarHBondContact O-N 2.94Å; Y622-I624 HydrophobicContact CD1-CD1 4.23Å; Y622-I624 HydrophobicContact CD1-CG1 3.72Å; Y622-I624 HydrophobicContact CE1-CG1 4.13Å; Y622-F670 WeakPolarHBondContact O-CA 3.26Å; Y622-L671 WeakPolarHBondContact CB-O 3.43Å; Y622-L671 PolarHBondContact N-O 3.18Å; Y622-L671 PolarHBondContact O-N 2.85Å; Y622-L673 HydrophobicContact CD1-CD1 3.54Å; Y622-L673 HydrophobicContact CD2-CD1 4.27Å; Y622-L673 HydrophobicContact CE1-CD1 4.19Å; Y622-L673 HydrophobicContact CG-CD1 3.56Å; Y622-L673 HydrophobicContact CG-CG 4.35Å
623K97.6Very high97Very high28 Ų2843.6 Ų43.612%0.12225%0.247CC..EExtended strand (participates in β ladder)trans-81.3123.8-175.3-168.4-179179.1-164.40111.7D621 E660 W662 C668 V669 F670D621-K623 PolarHBondContact O-N 3.12Å; K623-E660 IonicContact NZ-OE1 3.21Å; K623-E660 PolarHBondContact NZ-OE1 3.15Å; K623-E660 IonicContact NZ-OE2 2.73Å; K623-W662 HydrophobicContact CD-CB 4.47Å; K623-W662 HydrophobicContact CD-CD2 3.72Å; K623-W662 HydrophobicContact CD-CE3 4.12Å; K623-W662 HydrophobicContact CD-CG 3.87Å; K623-W662 HydrophobicContact CD-CZ2 4.46Å; K623-W662 HydrophobicContact CG-CD2 4.33Å; K623-W662 HydrophobicContact CG-CG 4.07Å; K623-W662 PolarHBondContact O-NE1 3.35Å; K623-C668 WeakPolarHBondContact CE-SG 3.49Å; K623-C668 HydrophobicContact CG-CB 4.02Å; K623-V669 WeakPolarHBondContact CA-O 3.32Å; K623-F670 HydrophobicContact CB-CD1 4.13Å; K623-F670 HydrophobicContact CB-CE1 3.74Å; K623-F670 HydrophobicContact CB-CZ 4.22Å; K623-F670 HydrophobicContact CD-CE1 4.13Å; K623-F670 HydrophobicContact CD-CZ 3.86Å; K623-F670 HydrophobicContact CG-CD1 4.47Å; K623-F670 HydrophobicContact CG-CE1 3.85Å; K623-F670 HydrophobicContact CG-CE2 4.37Å; K623-F670 HydrophobicContact CG-CZ 3.79Å
624I97.7Very high96.9Very high0 Ų044.7 Ų44.70%025%0.253CS..EExtended strand (participates in β ladder)trans-127132.5179.8-55.6-177.3000109.9A601 L608 V610 Y622 C668 V669 L671 L673A601-I624 HydrophobicContact CB-CD1 4.41Å; A601-I624 HydrophobicContact CB-CG2 3.77Å; L608-I624 HydrophobicContact CD1-CG2 4.03Å; L608-I624 HydrophobicContact CD2-CG2 4.37Å; V610-I624 HydrophobicContact CB-CD1 4.11Å; V610-I624 HydrophobicContact CG1-CD1 3.45Å; V610-I624 VanDerWaalsContact CG1-CD1 3.45Å; V610-I624 HydrophobicContact CG2-CD1 3.46Å; V610-I624 VanDerWaalsContact CG2-CD1 3.46Å; Y622-I624 HydrophobicContact CD1-CD1 4.23Å; Y622-I624 HydrophobicContact CD1-CG1 3.72Å; Y622-I624 HydrophobicContact CE1-CG1 4.13Å; I624-C668 CarbonylContact O-C 3.51Å; I624-C668 WeakPolarHBondContact O-CA 3.29Å; I624-C668 VanDerWaalsContact O-CB 3.32Å; I624-C668 WeakPolarHBondContact O-CB 3.31Å; I624-V669 HydrophobicContact CB-CG2 4.02Å; I624-V669 PolarHBondContact N-O 3.38Å; I624-V669 PolarHBondContact O-N 2.99Å; I624-L671 HydrophobicContact CD1-CD1 3.63Å; I624-L671 HydrophobicContact CD1-CG 4.35Å; I624-L673 HydrophobicContact CD1-CD1 4.39Å
625G97.5Very high96.8Very high0 Ų045.1 Ų45.10%026%0.257CS..EExtended strand (participates in β ladder)trans-74.7134.7174.800000112.2W662 N667G625-W662 WeakPolarHBondContact CA-O 3.19Å; G625-N667 CarbonylContact C-O 3.6Å; G625-N667 WeakPolarHBondContact CA-O 3.31Å
626V97.9Very high96.9Very high0 Ų044.7 Ų44.70%025%0.254CS..EExtended strand (participates in β ladder)trans-134.2144.3174.2-60.30000111.3E603 L608 Y632 T657 R665 N667 V669E603-V626 WeakPolarHBondContact OE1-CA 3.22Å; L608-V626 HydrophobicContact CD1-CG1 4.19Å; L608-V626 HydrophobicContact CD2-CG1 3.72Å; L608-V626 HydrophobicContact CG-CG1 4.4Å; V626-Y632 HydrophobicContact CG2-CE2 4.26Å; V626-T657 HydrophobicContact CG2-CG2 3.69Å; V626-R665 WeakPolarHBondContact O-CB 3.45Å; V626-N667 HydrophobicContact CG2-CB 3.94Å; V626-N667 PolarHBondContact N-O 3.18Å; V626-N667 CarbonylContact O-C 3.59Å; V626-N667 WeakPolarHBondContact O-CA 3.37Å; V626-N667 WeakPolarHBondContact O-CB 3.33Å; V626-N667 PolarHBondContact O-N 3.48Å; V626-N667 VanDerWaalsContact O-O 3.1Å; V626-V669 HydrophobicContact CG1-CG1 4.35Å; V626-V669 HydrophobicContact CG1-CG2 4.08Å; V626-V669 HydrophobicContact CG2-CG1 4.07Å
627E97.5Very high97Very high45 Ų4539.5 Ų39.521%0.2122%0.223CC..SBendtrans-76.7-47.6-174-172.156.5-144.900112.2E603 R665 R666 N667E603-E627 PolarHBondContact OE1-N 3.29Å; E627-R665 WeakPolarHBondContact OE2-CD 3.45Å; E627-R665 IonicContact OE2-CZ 3.11Å; E627-R665 IonicContact OE2-NE 3.75Å; E627-R665 IonicContact OE2-NH1 3.81Å; E627-R665 PolarHBondContact OE2-NH1 3.2Å; E627-R666 IonicContact OE1-CZ 3.98Å; E627-R666 IonicContact OE1-NE 3.5Å; E627-R666 PolarHBondContact OE1-NE 2.86Å; E627-R666 IonicContact OE1-NH2 3.46Å; E627-R666 PolarHBondContact OE1-NH2 2.92Å; E627-N667 PolarHBondContact O-ND2 2.96Å
628T96.8Very high97Very high66 Ų6635.4 Ų35.441%0.40520%0.203SC..SBendtrans-96.1125.6-171.9-55.40000110.3Y632 L683T628-Y632 PolarHBondContact O-OH 3.48Å; T628-L683 HydrophobicContact CG2-CD1 3.5Å; T628-L683 VanDerWaalsContact CG2-CD1 3.5Å
629P97.1Very high97Very high78 Ų7833.3 Ų33.351%0.50619%0.189SC..  trans-71.8149.5174.530.9-33.8000110.7T657P629-T657 WeakPolarHBondContact CA-OG1 3.23Å
630G96.2Very high97Very high31 Ų3134 Ų3432%0.3219%0.192SC..SBendtrans158.8-158.8175.200000113.6T657G630-T657 PolarHBondContact N-OG1 3.23Å; G630-T657 WeakPolarHBondContact O-CG2 3.38Å; G630-T657 PolarHBondContact O-N 3.43Å; G630-T657 PolarHBondContact O-OG1 2.85Å
631Q96.5Very high97.1Very high50 Ų5034.2 Ų34.223%0.23419%0.186CC..EExtended strand (participates in β ladder)trans-110.4115.9175.2-176.2177.2-14.700108.1H633 D654 F656 Q684Q631-H633 PolarHBondContact NE2-CE1 2.78Å; Q631-H633 VanDerWaalsContact NE2-CE1 3.31Å; Q631-H633 PolarHBondContact NE2-NE2 3.39Å; Q631-D654 HydrophobicContact CG-CB 4.39Å; Q631-D654 PolarHBondContact NE2-OD1 3.04Å; Q631-D654 PolarHBondContact NE2-OD2 2.75Å; Q631-F656 HydrophobicContact CB-CD1 4.25Å; Q631-F656 HydrophobicContact CB-CE1 4.15Å; Q631-F656 HydrophobicContact CG-CD1 4.18Å; Q631-F656 HydrophobicContact CG-CE1 3.79Å; Q631-F656 HydrophobicContact CG-CZ 4.28Å; Q631-Q684 VanDerWaalsContact CD-OE1 3.31Å; Q631-Q684 PolarHBondContact O-N 3.02Å
632Y96.8Very high97.2Very high4 Ų433.3 Ų33.32%0.01618%0.178CC..EExtended strand (participates in β ladder)trans-96.7144.3177.4-76.4-100.8000109.9L608 V626 T628 V655 T657 V669 L681 A682 L683L608-Y632 HydrophobicContact CB-CE1 4.3Å; V626-Y632 HydrophobicContact CG2-CE2 4.26Å; T628-Y632 PolarHBondContact O-OH 3.48Å; Y632-V655 PolarHBondContact N-O 3.13Å; Y632-V655 WeakPolarHBondContact O-CB 3.24Å; Y632-V655 PolarHBondContact O-N 2.84Å; Y632-T657 HydrophobicContact CD2-CG2 3.82Å; Y632-T657 HydrophobicContact CE2-CG2 3.57Å; Y632-V669 HydrophobicContact CD2-CG1 4.36Å; Y632-L681 HydrophobicContact CD1-CB 4.07Å; Y632-A682 WeakPolarHBondContact CA-O 3.42Å; Y632-L683 HydrophobicContact CD1-CD2 4.42Å; Y632-L683 HydrophobicContact CD1-CG 4.32Å; Y632-L683 HydrophobicContact CD2-CD2 3.67Å; Y632-L683 HydrophobicContact CD2-CG 4.41Å; Y632-L683 HydrophobicContact CE1-CD2 4.16Å; Y632-L683 HydrophobicContact CE1-CG 3.86Å; Y632-L683 HydrophobicContact CE2-CD2 3.35Å; Y632-L683 HydrophobicContact CE2-CG 3.95Å; Y632-L683 HydrophobicContact CG-CD2 4.2Å
633H95.7Very high97.2Very high48 Ų4832.7 Ų32.722%0.22218%0.175CC..EExtended strand (participates in β ladder)trans-125143175.7-62-88.8000109.4Q631 V635 D654 L681 A682 Q684Q631-H633 PolarHBondContact NE2-CE1 2.78Å; Q631-H633 VanDerWaalsContact NE2-CE1 3.31Å; Q631-H633 PolarHBondContact NE2-NE2 3.39Å; H633-V635 PolarHBondContact O-N 3Å; H633-D654 IonicContact CE1-OD1 2.75Å; H633-D654 PolarHBondContact CE1-OD1 2.82Å; H633-D654 IonicContact ND1-OD1 3.69Å; H633-D654 PolarHBondContact ND1-OD1 2.81Å; H633-L681 CarbonylContact O-C 3.4Å; H633-L681 WeakPolarHBondContact O-CA 3.43Å; H633-A682 PolarHBondContact N-O 3.45Å; H633-A682 PolarHBondContact O-N 3.35Å; H633-Q684 VanDerWaalsContact NE2-CD 3.29Å; H633-Q684 PolarHBondContact NE2-OE1 3.28Å
634I96.8Very high97.2Very high25 Ų2532.2 Ų32.213%0.12818%0.178CC..EExtended strand (participates in β ladder)trans-69.7118.6173.5-65.3165.5000108.1D637 I649 Q651 L681I634-D637 HydrophobicContact CG2-CB 3.86Å; I634-I649 HydrophobicContact CD1-CG2 3.57Å; I634-Q651 HydrophobicContact CG2-CG 4.31Å; I634-L681 HydrophobicContact CG1-CD2 3.9Å; I634-L681 HydrophobicContact CG1-CG 3.99Å
635V96.8Very high97.1Very high41 Ų4132.8 Ų32.825%0.24818%0.184CC..EExtended strand (participates in β ladder)trans-102.8-17.5178.8-63.70000112.5L576 Y580 H633 A680 A682L576-V635 HydrophobicContact CD1-CB 3.92Å; L576-V635 HydrophobicContact CD1-CG2 3.88Å; L576-V635 HydrophobicContact CD2-CG2 4.18Å; Y580-V635 HydrophobicContact CE2-CB 4.3Å; Y580-V635 HydrophobicContact CE2-CG1 4.38Å; Y580-V635 HydrophobicContact CE2-CG2 4.16Å; Y580-V635 WeakPolarHBondContact OH-CG1 3.44Å; H633-V635 PolarHBondContact O-N 3Å; V635-A680 HydrophobicContact CG2-CB 3.9Å; V635-A680 VanDerWaalsContact CG2-O 3.28Å; V635-A680 WeakPolarHBondContact CG2-O 3.33Å; V635-A680 PolarHBondContact N-O 2.81Å; V635-A682 HydrophobicContact CG1-CB 3.81Å; V635-A682 HydrophobicContact CG2-CB 4.35Å
636L97.9Very high97.1Very high6 Ų638.2 Ų38.23%0.03121%0.208CC..EExtended strand (participates in β ladder)trans-155.6135167.3-179.166.9000108.2F511 F569 A572 L576 F643 M679 A680F511-L636 HydrophobicContact CD2-CD2 4.4Å; F511-L636 HydrophobicContact CE1-CD2 4.3Å; F511-L636 HydrophobicContact CE2-CD2 3.8Å; F511-L636 HydrophobicContact CZ-CD2 3.73Å; F569-L636 HydrophobicContact CE2-CD1 4.34Å; F569-L636 HydrophobicContact CE2-CD2 4.01Å; F569-L636 HydrophobicContact CE2-CG 4.24Å; F569-L636 HydrophobicContact CZ-CD2 4.31Å; A572-L636 HydrophobicContact CB-CD1 3.75Å; L576-L636 HydrophobicContact CD2-CB 3.64Å; L576-L636 HydrophobicContact CD2-CD2 3.95Å; L576-L636 HydrophobicContact CD2-CG 4.43Å; L636-F643 HydrophobicContact CD1-CE2 3.62Å; L636-F643 HydrophobicContact CD1-CZ 3.93Å; L636-M679 CarbonylContact O-C 3.49Å; L636-M679 WeakPolarHBondContact O-CA 3.22Å; L636-A680 HydrophobicContact CB-CB 4.33Å; L636-A680 PolarHBondContact N-O 3.44Å; L636-A680 PolarHBondContact O-N 3.36Å
637D97.5Very high97Very high2 Ų244.3 Ų44.31%0.01124%0.235CC..EExtended strand (participates in β ladder)trans-134.1143.8162.477.376000109.7I634 D639 Q640 F643 I649 Q651 C678 M679I634-D637 HydrophobicContact CG2-CB 3.86Å; D637-D639 PolarHBondContact O-N 2.87Å; D637-D639 WeakPolarHBondContact OD1-CA 3.27Å; D637-D639 PolarHBondContact OD1-N 3.39Å; D637-Q640 PolarHBondContact O-NE2 2.74Å; D637-Q640 WeakPolarHBondContact OD1-CG 3.43Å; D637-Q640 PolarHBondContact OD1-N 3.43Å; D637-Q640 WeakPolarHBondContact OD2-CG 3.45Å; D637-F643 VanDerWaalsContact O-CD2 3.27Å; D637-F643 WeakPolarHBondContact O-CD2 3.4Å; D637-F643 WeakPolarHBondContact O-CE2 3.43Å; D637-I649 HydrophobicContact CB-CD1 3.94Å; D637-Q651 WeakPolarHBondContact OD2-CG 3.18Å; D637-Q651 PolarHBondContact OD2-NE2 2.99Å; D637-C678 WeakPolarHBondContact CA-O 3.24Å; D637-M679 HydrophobicContact CB-CB 4.08Å
638S98.3Very high96.9Very high1 Ų146 Ų461%0.00724%0.239CC..THydrogen-bonded Turntrans-80.1-3.5-178.771.60000113.3K507 T677 C678K507-S638 PolarHBondContact NZ-O 2.93Å; S638-T677 WeakPolarHBondContact OG-CA 3.16Å; S638-C678 VanDerWaalsContact CB-SG 3.59Å; S638-C678 PolarHBondContact N-O 3.26Å; S638-C678 PolarHBondContact OG-N 3.25Å; S638-C678 PolarHBondContact OG-O 3.44Å
639D98Very high96.9Very high4 Ų443.9 Ų43.92%0.02123%0.225CC..THydrogen-bonded Turntrans-93.6-2-176.8-151.848.3000112.9D637 G645 F646 K647 R648 I649 T677D637-D639 PolarHBondContact O-N 2.87Å; D637-D639 WeakPolarHBondContact OD1-CA 3.27Å; D637-D639 PolarHBondContact OD1-N 3.39Å; D639-G645 CarbonylContact O-C 3.31Å; D639-G645 VanDerWaalsContact O-CA 3.25Å; D639-G645 WeakPolarHBondContact O-CA 3.43Å; D639-F646 PolarHBondContact O-N 3.01Å; D639-F646 VanDerWaalsContact O-N 3.07Å; D639-F646 PolarHBondContact OD1-N 3.02Å; D639-K647 WeakPolarHBondContact O-CA 3.24Å; D639-K647 PolarHBondContact O-N 2.58Å; D639-R648 IonicContact OD1-CZ 3.64Å; D639-R648 IonicContact OD1-NE 2.64Å; D639-R648 PolarHBondContact OD1-NE 2.82Å; D639-R648 IonicContact OD1-NH2 3.66Å; D639-R648 PolarHBondContact OD1-NH2 3.02Å; D639-R648 WeakPolarHBondContact OD2-CA 3.31Å; D639-R648 WeakPolarHBondContact OD2-CB 3.25Å; D639-R648 WeakPolarHBondContact OD2-CG 3.29Å; D639-R648 IonicContact OD2-CZ 3.69Å; D639-R648 PolarHBondContact OD2-N 2.88Å; D639-R648 IonicContact OD2-NE 2.78Å; D639-R648 PolarHBondContact OD2-NE 2.82Å; D639-R648 IonicContact OD2-NH2 2.78Å; D639-I649 HydrophobicContact CB-CD1 3.75Å; D639-I649 HydrophobicContact CB-CG1 4.12Å; D639-T677 HydrophobicContact CB-CG2 3.8Å
640Q97.8Very high96.6Very high44 Ų4444.7 Ų44.721%0.20623%0.225CC..SBendtrans-59.5144.1169.4-64.3-176.470.200112.4D637 E642 F643 G644 G645D637-Q640 PolarHBondContact O-NE2 2.74Å; D637-Q640 WeakPolarHBondContact OD1-CG 3.43Å; D637-Q640 PolarHBondContact OD1-N 3.43Å; D637-Q640 WeakPolarHBondContact OD2-CG 3.45Å; Q640-E642 VanDerWaalsContact C-N 3.3Å; Q640-E642 HydrophobicContact CB-CG 4.13Å; Q640-E642 PolarHBondContact O-N 3.11Å; Q640-E642 PolarHBondContact OE1-OE1 2.9Å; Q640-F643 HydrophobicContact CB-CD2 3.81Å; Q640-F643 HydrophobicContact CB-CE2 4.11Å; Q640-F643 HydrophobicContact CG-CD2 4.48Å; Q640-F643 HydrophobicContact CG-CE2 4.42Å; Q640-F643 CarbonylContact O-C 3.58Å; Q640-F643 PolarHBondContact O-N 3.18Å; Q640-F643 VanDerWaalsContact O-N 3.08Å; Q640-G644 PolarHBondContact O-N 2.97Å; Q640-G645 WeakPolarHBondContact O-CA 3.43Å; Q640-G645 PolarHBondContact O-N 3.29Å
641E96.3Very high96.3Very high110 Ų11047.3 Ų47.351%0.51423%0.229SC..G310 helixtrans-63.9-32.1-179.7171.6-178.7-120.900113.3Y565 F643 G644 K647Y565-E641 WeakPolarHBondContact CE1-O 3.49Å; E641-F643 PolarHBondContact O-N 2.95Å; E641-F643 VanDerWaalsContact O-N 3.13Å; E641-G644 PolarHBondContact O-N 2.76Å; E641-K647 HydrophobicContact CB-CD 4.09Å; E641-K647 HydrophobicContact CB-CG 3.85Å; E641-K647 IonicContact OE1-NZ 2.97Å; E641-K647 WeakPolarHBondContact OE2-CE 3.37Å; E641-K647 IonicContact OE2-NZ 3.06Å; E641-K647 PolarHBondContact OE2-NZ 2.92Å
642E97.1Very high95.9Very high99 Ų9949.3 Ų49.346%0.46325%0.249SC..G310 helixtrans-64.4-16.6176.462.1168160.800113.3Y565 N568 Q640Y565-E642 WeakPolarHBondContact CD1-O 3.18Å; N568-E642 PolarHBondContact ND2-O 2.94Å; N568-E642 VanDerWaalsContact ND2-O 3.16Å; Q640-E642 VanDerWaalsContact C-N 3.3Å; Q640-E642 HydrophobicContact CB-CG 4.13Å; Q640-E642 PolarHBondContact O-N 3.11Å; Q640-E642 PolarHBondContact OE1-OE1 2.9Å
643F98.2Very high95.4Very high4 Ų453.1 Ų53.12%0.01827%0.272CS..G310 helixtrans-106.113.1173.7-49.3-39.5000112.3K507 N568 F569 A572 L636 D637 Q640 E641 G645K507-F643 HydrophobicContact CD-CB 4.1Å; K507-F643 PolarHBondContact NZ-O 3.02Å; N568-F643 HydrophobicContact CB-CD1 3.87Å; N568-F643 HydrophobicContact CB-CE1 3.99Å; N568-F643 WeakPolarHBondContact O-CE1 3.25Å; F569-F643 HydrophobicContact CB-CB 4.19Å; F569-F643 HydrophobicContact CB-CD1 3.79Å; F569-F643 HydrophobicContact CB-CE1 4.43Å; F569-F643 HydrophobicContact CB-CG 4.01Å; F569-F643 HydrophobicContact CD2-CB 4.2Å; F569-F643 HydrophobicContact CD2-CD1 4.25Å; F569-F643 AromaticContact CD2-CD2 3.81Å; F569-F643 HydrophobicContact CD2-CD2 3.81Å; F569-F643 HydrophobicContact CD2-CE2 4.24Å; F569-F643 AromaticContact CD2-CG 3.82Å; F569-F643 HydrophobicContact CD2-CG 3.82Å; F569-F643 HydrophobicContact CG-CG 4.41Å; A572-F643 HydrophobicContact CB-CE1 3.9Å; A572-F643 HydrophobicContact CB-CZ 3.61Å; L636-F643 HydrophobicContact CD1-CE2 3.62Å; L636-F643 HydrophobicContact CD1-CZ 3.93Å; D637-F643 VanDerWaalsContact O-CD2 3.27Å; D637-F643 WeakPolarHBondContact O-CD2 3.4Å; D637-F643 WeakPolarHBondContact O-CE2 3.43Å; Q640-F643 HydrophobicContact CB-CD2 3.81Å; Q640-F643 HydrophobicContact CB-CE2 4.11Å; Q640-F643 HydrophobicContact CG-CD2 4.48Å; Q640-F643 HydrophobicContact CG-CE2 4.42Å; Q640-F643 CarbonylContact O-C 3.58Å; Q640-F643 PolarHBondContact O-N 3.18Å; Q640-F643 VanDerWaalsContact O-N 3.08Å; E641-F643 PolarHBondContact O-N 2.95Å; E641-F643 VanDerWaalsContact O-N 3.13Å; F643-G645 VanDerWaalsContact C-N 3.28Å; F643-G645 PolarHBondContact O-N 2.72Å
644G96.3Very high95.1Very high18 Ų1854.2 Ų54.219%0.18628%0.28CS..THydrogen-bonded Turntrans69.624.2-177.800000113.5Q640 E641Q640-G644 PolarHBondContact O-N 2.97Å; E641-G644 PolarHBondContact O-N 2.76Å
645G96.8Very high95Very high12 Ų1253.6 Ų53.612%0.12428%0.277CS..  trans-86.6176.6171.400000113.2D639 Q640 F643D639-G645 CarbonylContact O-C 3.31Å; D639-G645 VanDerWaalsContact O-CA 3.25Å; D639-G645 WeakPolarHBondContact O-CA 3.43Å; Q640-G645 WeakPolarHBondContact O-CA 3.43Å; Q640-G645 PolarHBondContact O-N 3.29Å; F643-G645 VanDerWaalsContact C-N 3.28Å; F643-G645 PolarHBondContact O-N 2.72Å
646F96.1Very high95Very high114 Ų11457.5 Ų57.550%0.529%0.291SS..  trans-100.310.5-170.5-60.7-76.5000114.8D500 D639 R648D500-F646 HydrophobicContact CB-CZ 3.94Å; D639-F646 PolarHBondContact O-N 3.01Å; D639-F646 VanDerWaalsContact O-N 3.07Å; D639-F646 PolarHBondContact OD1-N 3.02Å; F646-R648 VanDerWaalsContact C-N 3.29Å; F646-R648 HydrophobicContact CB-CG 3.96Å; F646-R648 PolarHBondContact O-N 2.99Å
647K96.2Very high94.9Very high129 Ų12958.6 Ų58.656%0.56130%0.298SS*.  trans51.340.9-178.1-58.1-170.7-176.1-179.50114.2D639 E641D639-K647 WeakPolarHBondContact O-CA 3.24Å; D639-K647 PolarHBondContact O-N 2.58Å; E641-K647 HydrophobicContact CB-CD 4.09Å; E641-K647 HydrophobicContact CB-CG 3.85Å; E641-K647 IonicContact OE1-NZ 2.97Å; E641-K647 WeakPolarHBondContact OE2-CE 3.37Å; E641-K647 IonicContact OE2-NZ 3.06Å; E641-K647 PolarHBondContact OE2-NZ 2.92Å
648R96.3Very high94.9Very high79 Ų7965.4 Ų65.430%0.29832%0.323SS..  trans-86.2-16.1179.2-56.6165.2-71.1179.5-2.7112D639 F646 Y672 P674 S675 T677D639-R648 IonicContact OD1-CZ 3.64Å; D639-R648 IonicContact OD1-NE 2.64Å; D639-R648 PolarHBondContact OD1-NE 2.82Å; D639-R648 IonicContact OD1-NH2 3.66Å; D639-R648 PolarHBondContact OD1-NH2 3.02Å; D639-R648 WeakPolarHBondContact OD2-CA 3.31Å; D639-R648 WeakPolarHBondContact OD2-CB 3.25Å; D639-R648 WeakPolarHBondContact OD2-CG 3.29Å; D639-R648 IonicContact OD2-CZ 3.69Å; D639-R648 PolarHBondContact OD2-N 2.88Å; D639-R648 IonicContact OD2-NE 2.78Å; D639-R648 PolarHBondContact OD2-NE 2.82Å; D639-R648 IonicContact OD2-NH2 2.78Å; F646-R648 VanDerWaalsContact C-N 3.29Å; F646-R648 HydrophobicContact CB-CG 3.96Å; F646-R648 PolarHBondContact O-N 2.99Å; R648-Y672 HydrophobicContact CB-CE1 4.1Å; R648-Y672 VanDerWaalsContact O-CE1 3.22Å; R648-Y672 WeakPolarHBondContact O-CE1 3.41Å; R648-P674 HydrophobicContact CB-CB 4.42Å; R648-P674 HydrophobicContact CB-CG 3.95Å; R648-S675 PolarHBondContact NH2-O 3.21Å; R648-T677 VanDerWaalsContact NH2-CG2 3.29Å
649I95.5Very high94.8Very high22 Ų2272.2 Ų72.211%0.11336%0.36CS..SBendtrans-97.5127179.8-58.1170.2000109I634 D637 D639 P674 M679I634-I649 HydrophobicContact CD1-CG2 3.57Å; D637-I649 HydrophobicContact CB-CD1 3.94Å; D639-I649 HydrophobicContact CB-CD1 3.75Å; D639-I649 HydrophobicContact CB-CG1 4.12Å; I649-P674 HydrophobicContact CD1-CG 4.15Å; I649-P674 HydrophobicContact CG1-CG 3.68Å; I649-M679 HydrophobicContact CD1-CE 3.66Å; I649-M679 HydrophobicContact CG1-CE 4.46Å
650D92.1Very high94.8Very high95 Ų9575.9 Ų75.951%0.50838%0.377SS..  trans-92.9108.1173.7-174.5-7.8000110S652 V653D650-S652 VanDerWaalsContact CG-OG 3.27Å; D650-S652 PolarHBondContact O-N 2.8Å; D650-S652 WeakPolarHBondContact OD1-CB 3.47Å; D650-S652 PolarHBondContact OD1-N 3Å; D650-S652 PolarHBondContact OD1-OG 2.99Å; D650-S652 PolarHBondContact OD2-OG 3.05Å; D650-V653 HydrophobicContact CB-CG2 3.96Å; D650-V653 PolarHBondContact O-N 2.87Å
651Q88.9Confident94.7Very high86 Ų8678.3 Ų78.340%0.40240%0.396SS..THydrogen-bonded Turntrans-71.6-12.9179.4-67.9-172.1-13.700114I634 D637 V653I634-Q651 HydrophobicContact CG2-CG 4.31Å; D637-Q651 WeakPolarHBondContact OD2-CG 3.18Å; D637-Q651 PolarHBondContact OD2-NE2 2.99Å; Q651-V653 PolarHBondContact O-N 2.7Å
652S88.4Confident94.8Very high92 Ų9277.9 Ų77.964%0.64339%0.39SS*.THydrogen-bonded Turntrans-78.6-8.5178.372.80000113.3D650 D654D650-S652 VanDerWaalsContact CG-OG 3.27Å; D650-S652 PolarHBondContact O-N 2.8Å; D650-S652 WeakPolarHBondContact OD1-CB 3.47Å; D650-S652 PolarHBondContact OD1-N 3Å; D650-S652 PolarHBondContact OD1-OG 2.99Å; D650-S652 PolarHBondContact OD2-OG 3.05Å; S652-D654 PolarHBondContact O-N 2.65Å
653V87.4Confident94.7Very high84 Ų8475.1 Ų75.151%0.50938%0.379SS..SBendtrans-83114.3-179.2-179.90000110.3D650 Q651D650-V653 HydrophobicContact CB-CG2 3.96Å; D650-V653 PolarHBondContact O-N 2.87Å; Q651-V653 PolarHBondContact O-N 2.7Å
654D87.7Confident94.6Very high71 Ų7181.9 Ų81.938%0.3842%0.415SS..  trans-64.7132.1171.4-69.6-44.7000111.8Q631 H633 S652 F656Q631-D654 HydrophobicContact CG-CB 4.39Å; Q631-D654 PolarHBondContact NE2-OD1 3.04Å; Q631-D654 PolarHBondContact NE2-OD2 2.75Å; H633-D654 IonicContact CE1-OD1 2.75Å; H633-D654 PolarHBondContact CE1-OD1 2.82Å; H633-D654 IonicContact ND1-OD1 3.69Å; H633-D654 PolarHBondContact ND1-OD1 2.81Å; S652-D654 PolarHBondContact O-N 2.65Å; D654-F656 HydrophobicContact CB-CD2 4.13Å; D654-F656 HydrophobicContact CB-CE2 3.4Å; D654-F656 HydrophobicContact CB-CZ 3.69Å
655V95Very high94.6Very high12 Ų1282.9 Ų82.97%0.07341%0.413CS..EExtended strand (participates in β ladder)trans-101.71001781800000109.7Y632 V669 L671 L681Y632-V655 PolarHBondContact N-O 3.13Å; Y632-V655 WeakPolarHBondContact O-CB 3.24Å; Y632-V655 PolarHBondContact O-N 2.84Å; V655-V669 HydrophobicContact CG1-CB 3.62Å; V655-V669 HydrophobicContact CG1-CG1 3.68Å; V655-V669 HydrophobicContact CG1-CG2 4.35Å; V655-L671 HydrophobicContact CB-CD2 4.28Å; V655-L671 HydrophobicContact CG1-CD2 3.57Å; V655-L671 HydrophobicContact CG2-CD2 3.65Å; V655-L681 HydrophobicContact CB-CD2 4.22Å; V655-L681 HydrophobicContact CG1-CD2 4.34Å; V655-L681 HydrophobicContact CG2-CD2 3.81Å
656F96.6Very high94.7Very high123 Ų12389.7 Ų89.754%0.53944%0.435SS..EExtended strand (participates in β ladder)trans-88.2133.4177.4-62.9-80000112.2Q631 D654Q631-F656 HydrophobicContact CB-CD1 4.25Å; Q631-F656 HydrophobicContact CB-CE1 4.15Å; Q631-F656 HydrophobicContact CG-CD1 4.18Å; Q631-F656 HydrophobicContact CG-CE1 3.79Å; Q631-F656 HydrophobicContact CG-CZ 4.28Å; D654-F656 HydrophobicContact CB-CD2 4.13Å; D654-F656 HydrophobicContact CB-CE2 3.4Å; D654-F656 HydrophobicContact CB-CZ 3.69Å
657T97.3Very high94.8Very high30 Ų3084.8 Ų84.818%0.18441%0.414CS..  trans-70.5144.6171600000111.9V626 P629 G630 Y632 C668 V669V626-T657 HydrophobicContact CG2-CG2 3.69Å; P629-T657 WeakPolarHBondContact CA-OG1 3.23Å; G630-T657 PolarHBondContact N-OG1 3.23Å; G630-T657 WeakPolarHBondContact O-CG2 3.38Å; G630-T657 PolarHBondContact O-N 3.43Å; G630-T657 PolarHBondContact O-OG1 2.85Å; Y632-T657 HydrophobicContact CD2-CG2 3.82Å; Y632-T657 HydrophobicContact CE2-CG2 3.57Å; T657-C668 CarbonylContact C-O 3.6Å; T657-C668 WeakPolarHBondContact CA-O 3.4Å; T657-V669 HydrophobicContact CG2-CG1 3.79Å
658R97.2Very high94.8Very high144 Ų14478.7 Ų78.754%0.54339%0.387SS..BIsolated β-bridgetrans-106142.1165-57.3-170.2-172.2165.30.4109.6E660 N667 C668 F670R658-E660 PolarHBondContact O-N 3.22Å; R658-N667 WeakPolarHBondContact O-CA 3.38Å; R658-N667 WeakPolarHBondContact O-CB 3.5Å; R658-C668 PolarHBondContact N-O 3.13Å; R658-C668 PolarHBondContact O-N 3.08Å; R658-F670 HydrophobicContact CG-CE2 4.48Å
659N96.5Very high94.9Very high144 Ų14474.9 Ų74.977%0.7737%0.373SS*.SBendtrans-75.568.8173.6-173.77.4000110.2
660E96.9Very high94.9Very high82 Ų8276.5 Ų76.538%0.38338%0.38SS..  trans-137.6108.8-179.8-176.3-177.2166.900108.3K623 R658 W662 N667 C668K623-E660 IonicContact NZ-OE1 3.21Å; K623-E660 PolarHBondContact NZ-OE1 3.15Å; K623-E660 IonicContact NZ-OE2 2.73Å; R658-E660 PolarHBondContact O-N 3.22Å; E660-W662 PolarHBondContact O-N 3.43Å; E660-N667 CarbonylContact O-C 3.58Å; E660-C668 PolarHBondContact O-N 3.01Å
661P96.7Very high95.2Very high94 Ų9472.4 Ų72.461%0.6136%0.357SS*.  trans-59.6136.6-180-27.235.4000112.9R665P661-R665 WeakPolarHBondContact CA-O 3.34Å; P661-R665 WeakPolarHBondContact CB-O 3.43Å
662W97.1Very high95.6Very high102 Ų10272.8 Ų72.839%0.38636%0.356SS..BIsolated β-bridgetrans-156.7146.5179.2-164.3-109.5000110.9K623 G625 E660 N664 R665 C668K623-W662 HydrophobicContact CD-CB 4.47Å; K623-W662 HydrophobicContact CD-CD2 3.72Å; K623-W662 HydrophobicContact CD-CE3 4.12Å; K623-W662 HydrophobicContact CD-CG 3.87Å; K623-W662 HydrophobicContact CD-CZ2 4.46Å; K623-W662 HydrophobicContact CG-CD2 4.33Å; K623-W662 HydrophobicContact CG-CG 4.07Å; K623-W662 PolarHBondContact O-NE1 3.35Å; G625-W662 WeakPolarHBondContact CA-O 3.19Å; E660-W662 PolarHBondContact O-N 3.43Å; W662-N664 PolarHBondContact O-N 3.17Å; W662-N664 VanDerWaalsContact O-N 3.08Å; W662-R665 PolarHBondContact N-O 2.81Å; W662-R665 VanDerWaalsContact N-O 3.13Å; W662-R665 WeakPolarHBondContact O-CB 3.45Å; W662-R665 PolarHBondContact O-N 2.89Å; W662-C668 HydrophobicContact CB-CB 4.06Å
663D95.2Very high96Very high41 Ų4168.5 Ų68.522%0.21933%0.326CS..THydrogen-bonded Turntrans46.641.6178.5-68.4-17.1000113.6S591 R592 R665S591-D663 WeakPolarHBondContact O-CB 3.49Å; R592-D663 WeakPolarHBondContact CD-OD2 3.34Å; R592-D663 IonicContact CZ-OD2 3.84Å; R592-D663 IonicContact NH1-OD1 2.71Å; R592-D663 PolarHBondContact NH1-OD1 2.8Å; R592-D663 IonicContact NH1-OD2 3.91Å; R592-D663 PolarHBondContact NH1-OD2 3.38Å; D663-R665 VanDerWaalsContact C-N 3.26Å; D663-R665 PolarHBondContact O-N 3.28Å
664N96.5Very high96.5Very high146 Ų14664.5 Ų64.578%0.78130%0.302SS*.THydrogen-bonded Turntrans5929.8-176.6-64.1-39.9000114.9Y589 W662Y589-N664 WeakPolarHBondContact OH-CB 3.15Å; W662-N664 PolarHBondContact O-N 3.17Å; W662-N664 VanDerWaalsContact O-N 3.08Å
665R97.4Very high97Very high38 Ų3862 Ų6214%0.14329%0.289CS..BIsolated β-bridgetrans-117156.6171.4-64.8-54.7-155.2178.87.6111.5Y589 E603 V626 E627 P661 W662 D663Y589-R665 HydrophobicContact CE1-CG 4.28Å; Y589-R665 VanDerWaalsContact CE1-NE 3.32Å; Y589-R665 VanDerWaalsContact CG-CZ 3.49Å; E603-R665 IonicContact OE2-CZ 2.94Å; E603-R665 IonicContact OE2-NE 3.29Å; E603-R665 PolarHBondContact OE2-NE 3.11Å; E603-R665 IonicContact OE2-NH2 3.73Å; E603-R665 PolarHBondContact OE2-NH2 3.28Å; V626-R665 WeakPolarHBondContact O-CB 3.45Å; E627-R665 WeakPolarHBondContact OE2-CD 3.45Å; E627-R665 IonicContact OE2-CZ 3.11Å; E627-R665 IonicContact OE2-NE 3.75Å; E627-R665 IonicContact OE2-NH1 3.81Å; E627-R665 PolarHBondContact OE2-NH1 3.2Å; P661-R665 WeakPolarHBondContact CA-O 3.34Å; P661-R665 WeakPolarHBondContact CB-O 3.43Å; W662-R665 PolarHBondContact N-O 2.81Å; W662-R665 VanDerWaalsContact N-O 3.13Å; W662-R665 WeakPolarHBondContact O-CB 3.45Å; W662-R665 PolarHBondContact O-N 2.89Å; D663-R665 VanDerWaalsContact C-N 3.26Å; D663-R665 PolarHBondContact O-N 3.28Å
666R97.3Very high97.1Very high155 Ų15564.1 Ų64.159%0.58530%0.296SS*.SBendtrans-73-28-176.2-73.8-174-76.5178.3-4.5113.9E627E627-R666 IonicContact OE1-CZ 3.98Å; E627-R666 IonicContact OE1-NE 3.5Å; E627-R666 PolarHBondContact OE1-NE 2.86Å; E627-R666 IonicContact OE1-NH2 3.46Å; E627-R666 PolarHBondContact OE1-NH2 2.92Å
667N97.9Very high97.2Very high12 Ų1258.3 Ų58.36%0.06427%0.271CS..EExtended strand (participates in β ladder)trans-128.5171.9-176.7-55-83.1000110.3G625 V626 E627 R658 E660G625-N667 CarbonylContact C-O 3.6Å; G625-N667 WeakPolarHBondContact CA-O 3.31Å; V626-N667 HydrophobicContact CG2-CB 3.94Å; V626-N667 PolarHBondContact N-O 3.18Å; V626-N667 CarbonylContact O-C 3.59Å; V626-N667 WeakPolarHBondContact O-CA 3.37Å; V626-N667 WeakPolarHBondContact O-CB 3.33Å; V626-N667 PolarHBondContact O-N 3.48Å; V626-N667 VanDerWaalsContact O-O 3.1Å; E627-N667 PolarHBondContact O-ND2 2.96Å; R658-N667 WeakPolarHBondContact O-CA 3.38Å; R658-N667 WeakPolarHBondContact O-CB 3.5Å; E660-N667 CarbonylContact O-C 3.58Å
668C97.7Very high97.3Very high0 Ų057 Ų570%026%0.262CS..EExtended strand (participates in β ladder)trans-138.5157.8170.172.70000112.8K623 I624 T657 R658 E660 W662K623-C668 WeakPolarHBondContact CE-SG 3.49Å; K623-C668 HydrophobicContact CG-CB 4.02Å; I624-C668 CarbonylContact O-C 3.51Å; I624-C668 WeakPolarHBondContact O-CA 3.29Å; I624-C668 VanDerWaalsContact O-CB 3.32Å; I624-C668 WeakPolarHBondContact O-CB 3.31Å; T657-C668 CarbonylContact C-O 3.6Å; T657-C668 WeakPolarHBondContact CA-O 3.4Å; R658-C668 PolarHBondContact N-O 3.13Å; R658-C668 PolarHBondContact O-N 3.08Å; E660-C668 PolarHBondContact O-N 3.01Å; W662-C668 HydrophobicContact CB-CB 4.06Å
669V97.2Very high97.3Very high0 Ų050.3 Ų50.30%024%0.237CC..EExtended strand (participates in β ladder)trans-120.4159.5168.2-63.60000109.9L608 K623 I624 V626 Y632 V655 T657 L671L608-V669 HydrophobicContact CD2-CG2 3.91Å; K623-V669 WeakPolarHBondContact CA-O 3.32Å; I624-V669 HydrophobicContact CB-CG2 4.02Å; I624-V669 PolarHBondContact N-O 3.38Å; I624-V669 PolarHBondContact O-N 2.99Å; V626-V669 HydrophobicContact CG1-CG1 4.35Å; V626-V669 HydrophobicContact CG1-CG2 4.08Å; V626-V669 HydrophobicContact CG2-CG1 4.07Å; Y632-V669 HydrophobicContact CD2-CG1 4.36Å; V655-V669 HydrophobicContact CG1-CB 3.62Å; V655-V669 HydrophobicContact CG1-CG1 3.68Å; V655-V669 HydrophobicContact CG1-CG2 4.35Å; T657-V669 HydrophobicContact CG2-CG1 3.79Å; V669-L671 HydrophobicContact CG2-CD1 4.37Å; V669-L671 HydrophobicContact CG2-CD2 4.41Å; V669-L671 HydrophobicContact CG2-CG 4.18Å
670F96.7Very high97.4Very high56 Ų5643.4 Ų43.425%0.24620%0.201CC..EExtended strand (participates in β ladder)trans-119.9122.6176.2-69.5-95.9000108.2D621 Y622 K623 R658D621-F670 HydrophobicContact CB-CB 4.49Å; D621-F670 HydrophobicContact CB-CD1 4.12Å; D621-F670 WeakPolarHBondContact O-CD1 3.22Å; Y622-F670 WeakPolarHBondContact O-CA 3.26Å; K623-F670 HydrophobicContact CB-CD1 4.13Å; K623-F670 HydrophobicContact CB-CE1 3.74Å; K623-F670 HydrophobicContact CB-CZ 4.22Å; K623-F670 HydrophobicContact CD-CE1 4.13Å; K623-F670 HydrophobicContact CD-CZ 3.86Å; K623-F670 HydrophobicContact CG-CD1 4.47Å; K623-F670 HydrophobicContact CG-CE1 3.85Å; K623-F670 HydrophobicContact CG-CE2 4.37Å; K623-F670 HydrophobicContact CG-CZ 3.79Å; R658-F670 HydrophobicContact CG-CE2 4.48Å
671L96.9Very high97.5Very high8 Ų839.5 Ų39.54%0.04218%0.182CC..EExtended strand (participates in β ladder)trans-124.7147.7-174.6-57179.2000111L608 V610 D621 Y622 I624 V655 V669 L673 M679 L681L608-L671 HydrophobicContact CD2-CD1 4.5Å; V610-L671 HydrophobicContact CG2-CD1 3.89Å; D621-L671 PolarHBondContact N-O 2.59Å; Y622-L671 WeakPolarHBondContact CB-O 3.43Å; Y622-L671 PolarHBondContact N-O 3.18Å; Y622-L671 PolarHBondContact O-N 2.85Å; I624-L671 HydrophobicContact CD1-CD1 3.63Å; I624-L671 HydrophobicContact CD1-CG 4.35Å; V655-L671 HydrophobicContact CB-CD2 4.28Å; V655-L671 HydrophobicContact CG1-CD2 3.57Å; V655-L671 HydrophobicContact CG2-CD2 3.65Å; V669-L671 HydrophobicContact CG2-CD1 4.37Å; V669-L671 HydrophobicContact CG2-CD2 4.41Å; V669-L671 HydrophobicContact CG2-CG 4.18Å; L671-L673 HydrophobicContact CB-CD2 3.75Å; L671-L673 HydrophobicContact CB-CG 4.26Å; L671-L673 HydrophobicContact CD1-CD2 4.24Å; L671-M679 HydrophobicContact CD1-SD 3.88Å; L671-L681 HydrophobicContact CD1-CD1 3.98Å; L671-L681 HydrophobicContact CD1-CD2 4.39Å; L671-L681 HydrophobicContact CD2-CD2 3.83Å
672Y97.6Very high97.5Very high95 Ų9535.2 Ų35.237%0.37316%0.155SC..EExtended strand (participates in β ladder)trans-81.4120.1161.4177.3-127.5000109.3F619 T620 R648 P674 M679F619-Y672 CarbonylContact O-C 3.38Å; F619-Y672 WeakPolarHBondContact O-CA 3.42Å; F619-Y672 VanDerWaalsContact O-CD2 3.24Å; F619-Y672 WeakPolarHBondContact O-CD2 3.48Å; T620-Y672 HydrophobicContact CG2-CD2 3.95Å; T620-Y672 HydrophobicContact CG2-CE2 4.08Å; R648-Y672 HydrophobicContact CB-CE1 4.1Å; R648-Y672 VanDerWaalsContact O-CE1 3.22Å; R648-Y672 WeakPolarHBondContact O-CE1 3.41Å; Y672-P674 HydrophobicContact CD1-CG 4.04Å; Y672-P674 HydrophobicContact CE1-CG 3.6Å; Y672-P674 WeakPolarHBondContact O-CD 3.35Å; Y672-M679 WeakPolarHBondContact O-CE 3.4Å
673L97.4Very high97.3Very high2 Ų233.2 Ų33.21%0.0115%0.151CC..EExtended strand (participates in β ladder)trans-117.490.8-178.1-55.5-176000110.1V599 V610 N612 S618 F619 Y622 I624 L671 M679V599-L673 HydrophobicContact CG1-CD1 4.14Å; V599-L673 HydrophobicContact CG2-CD1 4.23Å; V610-L673 HydrophobicContact CG1-CD1 3.8Å; V610-L673 HydrophobicContact CG1-CD2 3.69Å; V610-L673 HydrophobicContact CG1-CG 4.42Å; N612-L673 HydrophobicContact CB-CB 4.29Å; N612-L673 PolarHBondContact ND2-O 2.88Å; S618-L673 CarbonylContact C-O 3.52Å; S618-L673 VanDerWaalsContact CA-O 3.3Å; S618-L673 WeakPolarHBondContact CA-O 3.34Å; F619-L673 HydrophobicContact CB-CB 4.41Å; F619-L673 PolarHBondContact N-O 3.41Å; F619-L673 PolarHBondContact O-N 2.82Å; Y622-L673 HydrophobicContact CD1-CD1 3.54Å; Y622-L673 HydrophobicContact CD2-CD1 4.27Å; Y622-L673 HydrophobicContact CE1-CD1 4.19Å; Y622-L673 HydrophobicContact CG-CD1 3.56Å; Y622-L673 HydrophobicContact CG-CG 4.35Å; I624-L673 HydrophobicContact CD1-CD1 4.39Å; L671-L673 HydrophobicContact CB-CD2 3.75Å; L671-L673 HydrophobicContact CB-CG 4.26Å; L671-L673 HydrophobicContact CD1-CD2 4.24Å; L673-M679 HydrophobicContact CD2-CE 3.54Å; L673-M679 HydrophobicContact CD2-SD 3.9Å
674P98Very high96.9Very high0 Ų040.1 Ų40.10%018%0.182CC..  trans-58.4151.3171.3-16.625.2000112N612 S618 R648 I649 Y672 T677N612-P674 WeakPolarHBondContact CB-O 3.43Å; N612-P674 PolarHBondContact ND2-O 3.22Å; S618-P674 WeakPolarHBondContact OG-CA 3.43Å; R648-P674 HydrophobicContact CB-CB 4.42Å; R648-P674 HydrophobicContact CB-CG 3.95Å; I649-P674 HydrophobicContact CD1-CG 4.15Å; I649-P674 HydrophobicContact CG1-CG 3.68Å; Y672-P674 HydrophobicContact CD1-CG 4.04Å; Y672-P674 HydrophobicContact CE1-CG 3.6Å; Y672-P674 WeakPolarHBondContact O-CD 3.35Å; P674-T677 HydrophobicContact CB-CG2 3.86Å; P674-T677 HydrophobicContact CG-CG2 4.31Å; P674-T677 PolarHBondContact O-OG1 3.47Å
675S97.8Very high96.9Very high17 Ų1734.9 Ų34.912%0.11915%0.152CC..THydrogen-bonded Turntrans-58.4139.9173.565.40000111.9H614 S618 R648H614-S675 WeakPolarHBondContact O-CB 3.34Å; S618-S675 PolarHBondContact OG-N 2.88Å; R648-S675 PolarHBondContact NH2-O 3.21Å
676R97.6Very high96.9Very high57 Ų5734.7 Ų34.722%0.21515%0.153CC..THydrogen-bonded Turntrans56.246.4179.2-59.5-176.8173.3133.1-4.7113.9D438 A504 N612 H614 P615D438-R676 IonicContact OD2-CZ 3.37Å; D438-R676 IonicContact OD2-NE 3.98Å; D438-R676 IonicContact OD2-NH2 2.65Å; D438-R676 PolarHBondContact OD2-NH2 3.39Å; A504-R676 HydrophobicContact CB-CB 3.95Å; N612-R676 WeakPolarHBondContact O-CA 3.22Å; N612-R676 PolarHBondContact O-N 3.17Å; H614-R676 PolarHBondContact O-N 3.05Å; P615-R676 PolarHBondContact O-NH1 2.91Å
677T98.6Very high96.9Very high2 Ų228 Ų281%0.01213%0.129CC..EExtended strand (participates in β ladder)trans-130.3158.7173.766.20000111.1N612 S638 D639 R648 P674N612-T677 PolarHBondContact N-O 2.82Å; N612-T677 PolarHBondContact O-N 3.07Å; S638-T677 WeakPolarHBondContact OG-CA 3.16Å; D639-T677 HydrophobicContact CB-CG2 3.8Å; R648-T677 VanDerWaalsContact NH2-CG2 3.29Å; P674-T677 HydrophobicContact CB-CG2 3.86Å; P674-T677 HydrophobicContact CG-CG2 4.31Å; P674-T677 PolarHBondContact O-OG1 3.47Å
678C98.6Very high96.8Very high1 Ų128.9 Ų28.91%0.00713%0.133CC..EExtended strand (participates in β ladder)trans-131.9154.2167.660.90000110.5L508 F511 V610 F611 D637 S638L508-C678 HydrophobicContact CD1-CB 4.35Å; L508-C678 HydrophobicContact CG-CB 4.24Å; F511-C678 HydrophobicContact CD1-CB 4.14Å; F511-C678 VanDerWaalsContact CD1-SG 3.57Å; V610-C678 CarbonylContact O-C 3.55Å; V610-C678 WeakPolarHBondContact O-CA 3.28Å; V610-C678 WeakPolarHBondContact O-CB 3.26Å; F611-C678 HydrophobicContact CB-CB 4.47Å; F611-C678 HydrophobicContact CD1-CB 3.34Å; F611-C678 HydrophobicContact CE1-CB 3.58Å; F611-C678 HydrophobicContact CG-CB 3.96Å; F611-C678 HydrophobicContact CZ-CB 4.38Å; D637-C678 WeakPolarHBondContact CA-O 3.24Å; S638-C678 VanDerWaalsContact CB-SG 3.59Å; S638-C678 PolarHBondContact N-O 3.26Å; S638-C678 PolarHBondContact OG-N 3.25Å; S638-C678 PolarHBondContact OG-O 3.44Å
679M98.1Very high96.8Very high4 Ų430.8 Ų30.82%0.0214%0.141CC..EExtended strand (participates in β ladder)trans-142.9150.3175.958.2-173.474.500111.1V610 L636 D637 I649 L671 Y672 L673 L681V610-M679 HydrophobicContact CB-CG 3.9Å; V610-M679 HydrophobicContact CG2-CG 4.41Å; V610-M679 PolarHBondContact N-O 2.87Å; V610-M679 PolarHBondContact O-N 2.55Å; L636-M679 CarbonylContact O-C 3.49Å; L636-M679 WeakPolarHBondContact O-CA 3.22Å; D637-M679 HydrophobicContact CB-CB 4.08Å; I649-M679 HydrophobicContact CD1-CE 3.66Å; I649-M679 HydrophobicContact CG1-CE 4.46Å; L671-M679 HydrophobicContact CD1-SD 3.88Å; Y672-M679 WeakPolarHBondContact O-CE 3.4Å; L673-M679 HydrophobicContact CD2-CE 3.54Å; L673-M679 HydrophobicContact CD2-SD 3.9Å; M679-L681 HydrophobicContact CB-CD1 4.34Å; M679-L681 HydrophobicContact CG-CD1 3.71Å; M679-L681 HydrophobicContact SD-CD1 3.91Å
680A98.3Very high96.8Very high0 Ų032.8 Ų32.80%015%0.15CC..EExtended strand (participates in β ladder)trans-116131.7167.700000108.4F511 L576 V607 L608 F609 V635 L636F511-A680 HydrophobicContact CE1-CB 4.23Å; F511-A680 HydrophobicContact CZ-CB 3.92Å; L576-A680 HydrophobicContact CD2-CB 4.14Å; V607-A680 HydrophobicContact CG1-CB 3.83Å; L608-A680 CarbonylContact O-C 3.56Å; L608-A680 WeakPolarHBondContact O-CA 3.37Å; F609-A680 HydrophobicContact CD1-CB 3.86Å; F609-A680 HydrophobicContact CE1-CB 3.89Å; V635-A680 HydrophobicContact CG2-CB 3.9Å; V635-A680 VanDerWaalsContact CG2-O 3.28Å; V635-A680 WeakPolarHBondContact CG2-O 3.33Å; V635-A680 PolarHBondContact N-O 2.81Å; L636-A680 HydrophobicContact CB-CB 4.33Å; L636-A680 PolarHBondContact N-O 3.44Å; L636-A680 PolarHBondContact O-N 3.36Å
681L98.1Very high96.8Very high0 Ų031.1 Ų31.10%014%0.144CC..EExtended strand (participates in β ladder)trans-122135.9177-56.890.9000110.1V607 L608 V610 Y632 H633 I634 V655 L671 M679V607-L681 CarbonylContact C-O 3.58Å; V607-L681 WeakPolarHBondContact CA-O 3.49Å; V607-L681 WeakPolarHBondContact CG1-O 3.32Å; L608-L681 HydrophobicContact CB-CB 4.4Å; L608-L681 HydrophobicContact CD2-CD1 4.2Å; L608-L681 HydrophobicContact CG-CD1 4.43Å; L608-L681 PolarHBondContact N-O 3.14Å; L608-L681 PolarHBondContact O-N 3.29Å; V610-L681 HydrophobicContact CG2-CD1 4.29Å; Y632-L681 HydrophobicContact CD1-CB 4.07Å; H633-L681 CarbonylContact O-C 3.4Å; H633-L681 WeakPolarHBondContact O-CA 3.43Å; I634-L681 HydrophobicContact CG1-CD2 3.9Å; I634-L681 HydrophobicContact CG1-CG 3.99Å; V655-L681 HydrophobicContact CB-CD2 4.22Å; V655-L681 HydrophobicContact CG1-CD2 4.34Å; V655-L681 HydrophobicContact CG2-CD2 3.81Å; L671-L681 HydrophobicContact CD1-CD1 3.98Å; L671-L681 HydrophobicContact CD1-CD2 4.39Å; L671-L681 HydrophobicContact CD2-CD2 3.83Å; M679-L681 HydrophobicContact CB-CD1 4.34Å; M679-L681 HydrophobicContact CG-CD1 3.71Å; M679-L681 HydrophobicContact SD-CD1 3.91Å
682A96.8Very high96.8Very high3 Ų332.9 Ų32.93%0.02515%0.151CC..EExtended strand (participates in β ladder)trans-120.9153.7175.500000110.6Y580 Y632 H633 V635Y580-A682 HydrophobicContact CD1-CB 4.43Å; Y580-A682 HydrophobicContact CE1-CB 3.46Å; Y580-A682 VanDerWaalsContact CE1-CB 3.46Å; Y580-A682 WeakPolarHBondContact OH-CB 3.48Å; Y632-A682 WeakPolarHBondContact CA-O 3.42Å; H633-A682 PolarHBondContact N-O 3.45Å; H633-A682 PolarHBondContact O-N 3.35Å; V635-A682 HydrophobicContact CG1-CB 3.81Å; V635-A682 HydrophobicContact CG2-CB 4.35Å
683L94.4Very high96.7Very high61 Ų6127.8 Ų27.832%0.31913%0.133SC..EExtended strand (participates in β ladder)trans-65.1144.1169.4-74.5165.9000110.6T628 Y632T628-L683 HydrophobicContact CG2-CD1 3.5Å; T628-L683 VanDerWaalsContact CG2-CD1 3.5Å; Y632-L683 HydrophobicContact CD1-CD2 4.42Å; Y632-L683 HydrophobicContact CD1-CG 4.32Å; Y632-L683 HydrophobicContact CD2-CD2 3.67Å; Y632-L683 HydrophobicContact CD2-CG 4.41Å; Y632-L683 HydrophobicContact CE1-CD2 4.16Å; Y632-L683 HydrophobicContact CE1-CG 3.86Å; Y632-L683 HydrophobicContact CE2-CD2 3.35Å; Y632-L683 HydrophobicContact CE2-CG 3.95Å; Y632-L683 HydrophobicContact CG-CD2 4.2Å
684Q86.6Confident96.6Very high186 Ų18630.1 Ų30.187%0.86914%0.144SC*.  trans-63.70174.5-163.6168.1-0.400113.7Q631 H633Q631-Q684 VanDerWaalsContact CD-OE1 3.31Å; Q631-Q684 PolarHBondContact O-N 3.02Å; H633-Q684 VanDerWaalsContact NE2-CD 3.29Å; H633-Q684 PolarHBondContact NE2-OE1 3.28Å

Retrieved 684 of 684 residues in 321.5 ms (Link to these results)

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