A0A087WTH2_HUMAN Loading...

Double zinc ribbon and ankyrin repeat domains 1

AlphaFold DB , UniProt , Accession A0A087WTH2, Species HUMAN (Homo sapiens, Human), Gene DZANK1, Length 247 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
1M53.6Low80.7Confident244 Ų24475.2 Ų75.2100%1.20247%0.467SS*.  0125.70-66.2175.7-179.200107.7A3M1-A3 PolarHBondContact O-N 3.41Å
2T55.8Low81.7Confident118 Ų11873.8 Ų73.872%0.72445%0.453SS*.  trans-82.6106.1177.5-580000108.9G4T2-G4 PolarHBondContact O-N 3.35Å
3A56.8Low82.6Confident106 Ų10670.7 Ų70.788%0.87644%0.435SS*.THydrogen-bonded Turntrans-67.2114.7176.200000109.6M1M1-A3 PolarHBondContact O-N 3.41Å
4G69Low83.1Confident45 Ų4571.6 Ų71.646%0.46444%0.435SS..THydrogen-bonded Turntrans111.65.1170.300000117.1T2 R91T2-G4 PolarHBondContact O-N 3.35Å; G4-R91 PolarHBondContact O-NH1 3.21Å
5S83.9Confident83.3Confident74 Ų7471.7 Ų71.752%0.51742%0.424SS..PPolyproline II helixtrans-85.5133.4167.855.90000111.4
6V92.7Very high82.9Confident19 Ų1974.8 Ų74.812%0.11544%0.444CS..PPolyproline II helixtrans-79.3125.4173.8-174.90000109.1T38 V41 A85 R91 S93V6-T38 HydrophobicContact CG1-CG2 4.37Å; V6-V41 HydrophobicContact CG1-CG1 3.94Å; V6-A85 HydrophobicContact CG1-CB 3.96Å; V6-R91 HydrophobicContact CG2-CB 3.7Å; V6-S93 WeakPolarHBondContact O-CB 3.42Å
7C94.3Very high82.4Confident48 Ų4875.9 Ų75.932%0.32445%0.454SS..PPolyproline II helixtrans-69.1141.5179-630000110.9S36 D37 T38 S93C7-S36 PolarHBondContact O-OG 2.89Å; C7-D37 HydrophobicContact CB-CB 4.14Å; C7-T38 WeakPolarHBondContact CB-OG1 3.35Å; C7-T38 PolarHBondContact N-OG1 2.67Å; C7-T38 PolarHBondContact SG-OG1 3.45Å; C7-S93 WeakPolarHBondContact O-CB 3.27Å
8V95Very high81.9Confident71 Ų7177.2 Ų77.243%0.4345%0.454SS..PPolyproline II helixtrans-61143.6174-63.30000110.2
9P95.8Very high81.4Confident1 Ų180.1 Ų80.11%0.00648%0.476CS..PPolyproline II helixtrans-69.8147.7176.527.3-31000110.7K35 I43 A83 A85 S93 V96P9-K35 CarbonylContact C-O 3.43Å; P9-K35 WeakPolarHBondContact CA-O 3.35Å; P9-I43 HydrophobicContact CB-CD1 4.08Å; P9-I43 HydrophobicContact CB-CG1 4.29Å; P9-I43 HydrophobicContact CB-CG2 4.14Å; P9-I43 HydrophobicContact CG-CG2 4.38Å; P9-A83 HydrophobicContact CG-CB 3.79Å; P9-A85 HydrophobicContact CG-CB 4.46Å; P9-S93 WeakPolarHBondContact CD-OG 3.18Å; P9-V96 HydrophobicContact CG-CG1 3.82Å; P9-V96 WeakPolarHBondContact O-CG1 3.11Å
10Q95.2Very high81.2Confident86 Ų8680.5 Ų80.540%0.40250%0.497SS..EExtended strand (participates in β ladder)trans-95.6135.3170-57.8-177.810.700108.5I12 M34 K35 D37Q10-I12 HydrophobicContact CB-CD1 4.14Å; Q10-I12 HydrophobicContact CB-CG1 4.16Å; Q10-M34 CarbonylContact O-C 3.58Å; Q10-M34 VanDerWaalsContact O-CA 3.26Å; Q10-M34 WeakPolarHBondContact O-CA 3.05Å; Q10-K35 PolarHBondContact N-O 3.46Å; Q10-K35 PolarHBondContact O-N 3.36Å; Q10-D37 PolarHBondContact NE2-OD1 3.43Å; Q10-D37 PolarHBondContact NE2-OD2 2.91Å
11I95.1Very high81.1Confident15 Ų1581.1 Ų81.18%0.07749%0.493CS..EExtended strand (participates in β ladder)trans-111.9112.2177.3-58.7167.1000106.8L32 M34 V81 A83 V96 K98 F100I11-L32 HydrophobicContact CG2-CD1 3.57Å; I11-L32 HydrophobicContact CG2-CD2 3.57Å; I11-L32 HydrophobicContact CG2-CG 3.64Å; I11-M34 HydrophobicContact CG1-CG 4.33Å; I11-V81 HydrophobicContact CD1-CB 4.19Å; I11-V81 HydrophobicContact CD1-CG1 3.75Å; I11-A83 HydrophobicContact CD1-CB 4.14Å; I11-A83 HydrophobicContact CG1-CB 4.43Å; I11-V96 HydrophobicContact CD1-CG1 3.63Å; I11-V96 HydrophobicContact CG1-CG1 4.06Å; I11-K98 HydrophobicContact CB-CG 4.15Å; I11-K98 HydrophobicContact CD1-CB 4.06Å; I11-K98 HydrophobicContact CD1-CG 3.95Å; I11-F100 HydrophobicContact CG2-CE2 3.82Å; I11-F100 HydrophobicContact CG2-CZ 3.83Å
12I93.6Very high82.5Confident59 Ų5971 Ų7130%0.30345%0.448SS..EExtended strand (participates in β ladder)trans-125.2117-165.7-55.2169.5000109.2Q10 L14 E33 K35Q10-I12 HydrophobicContact CB-CD1 4.14Å; Q10-I12 HydrophobicContact CB-CG1 4.16Å; I12-L14 PolarHBondContact O-N 3.33Å; I12-E33 PolarHBondContact N-O 2.87Å; I12-E33 PolarHBondContact O-N 2.03Å; I12-K35 HydrophobicContact CD1-CD 4.35Å
13P93Very high83.8Confident33 Ų3371.4 Ų71.421%0.21445%0.445CS..EExtended strand (participates in β ladder)trans-65.4128.4169-20.933.8000110.8R15 I26 T30 L32 F100P13-R15 PolarHBondContact O-N 3.42Å; P13-I26 HydrophobicContact CB-CG2 4.05Å; P13-I26 HydrophobicContact CG-CG2 4.06Å; P13-T30 HydrophobicContact CB-CG2 4.03Å; P13-L32 HydrophobicContact CG-CD1 4.16Å; P13-F100 HydrophobicContact CG-CE1 3.73Å; P13-F100 HydrophobicContact CG-CZ 4.34Å
14L90.3Very high85.3Confident83 Ų8370.6 Ų70.644%0.43542%0.423SS..SBendtrans-80.563.3172.6-61.5-176.8000109.9I12 L31 E33 P71I12-L14 PolarHBondContact O-N 3.33Å; L14-L31 HydrophobicContact CB-CB 4.1Å; L14-L31 WeakPolarHBondContact CB-O 3.11Å; L14-L31 HydrophobicContact CD1-CB 3.91Å; L14-L31 HydrophobicContact CG-CB 4.35Å; L14-L31 PolarHBondContact N-O 2.79Å; L14-E33 HydrophobicContact CD1-CB 4.15Å; L14-E33 HydrophobicContact CD2-CB 3.74Å; L14-E33 HydrophobicContact CD2-CG 4.48Å; L14-E33 HydrophobicContact CG-CB 3.87Å; L14-P71 HydrophobicContact CD1-CB 3.94Å; L14-P71 HydrophobicContact CD1-CG 3.93Å
15R84.9Confident86.3Confident73 Ų7372.3 Ų72.328%0.27542%0.419SS..SBendtrans-134.8145.1171.8-171.5-155.3-179.1105.3-5.2106.9P13 P17 Q18 D27 T30P13-R15 PolarHBondContact O-N 3.42Å; R15-P17 VanDerWaalsContact O-CD 3.29Å; R15-P17 WeakPolarHBondContact O-CD 3.36Å; R15-Q18 VanDerWaalsContact NH2-CD 3.31Å; R15-D27 IonicContact CZ-OD2 2.63Å; R15-D27 IonicContact NH1-OD2 2.94Å; R15-D27 PolarHBondContact NH1-OD2 2.96Å; R15-D27 IonicContact NH2-OD2 2.92Å; R15-T30 HydrophobicContact CB-CG2 4.19Å
16V77.8Confident86.6Confident122 Ų12268.9 Ų68.974%0.73940%0.395SS*.  trans-63.7121.1164.9-177.40000107.3Q18V16-Q18 PolarHBondContact O-N 2.65Å
17P74.1Confident86.5Confident94 Ų9469 Ų6961%0.6140%0.395SS*.  trans-56113.5175.6-22.933.1000108.7R15R15-P17 VanDerWaalsContact O-CD 3.29Å; R15-P17 WeakPolarHBondContact O-CD 3.36Å
18Q73.4Confident86.3Confident98 Ų9868 Ų6846%0.45839%0.387SS..  trans-80.2128.5177.1-83.1174.9-9.700108.6R15 V16 G20 K21R15-Q18 VanDerWaalsContact NH2-CD 3.31Å; V16-Q18 PolarHBondContact O-N 2.65Å; Q18-G20 PolarHBondContact O-N 3.18Å; Q18-G20 VanDerWaalsContact O-N 3.14Å; Q18-K21 PolarHBondContact O-N 2.92Å
19P73.3Confident86Confident133 Ų13369.1 Ų69.186%0.86439%0.39SS*.THydrogen-bonded Turntrans-59.5121.3175.623.1-30.2000109.1
20G76.4Confident85.7Confident87 Ų8769.6 Ų69.690%0.89739%0.393SS*.THydrogen-bonded Turntrans105.6-11.9179.500000115.9Q18Q18-G20 PolarHBondContact O-N 3.18Å; Q18-G20 VanDerWaalsContact O-N 3.14Å
21K78.7Confident85.6Confident95 Ų9569 Ų6941%0.41339%0.392SS..SBendtrans-102.4146.9169.5-70.6-162.7176.7-159.90111.1Q18Q18-K21 PolarHBondContact O-N 2.92Å
22A83.4Confident85.5Confident32 Ų3268.3 Ų68.326%0.26439%0.389SS..  trans-76.3144.2178.600000111.2H24 E25A22-H24 WeakPolarHBondContact CB-CE1 3.21Å; A22-H24 PolarHBondContact O-N 2.71Å; A22-E25 HydrophobicContact CB-CG 4.15Å; A22-E25 PolarHBondContact N-OE2 3.25Å; A22-E25 PolarHBondContact O-N 2.94Å
23N83.8Confident85.5Confident125 Ų12567.4 Ų67.467%0.66838%0.383SS*.THydrogen-bonded Turntrans-61.2-14.4179.4-68.9-57.2000114.5
24H87.1Confident85.6Confident89 Ų8966.1 Ų66.141%0.41238%0.375SS..THydrogen-bonded Turntrans-94.6-7.7177.456.2-95.8000113.1A22 V99 F100 H101A22-H24 WeakPolarHBondContact CB-CE1 3.21Å; A22-H24 PolarHBondContact O-N 2.71Å; H24-V99 WeakPolarHBondContact CB-O 3.41Å; H24-F100 CarbonylContact O-C 3.43Å; H24-F100 VanDerWaalsContact O-CA 3.26Å; H24-F100 WeakPolarHBondContact O-CA 3.29Å; H24-H101 AromaticContact CD2-CD2 3.9Å; H24-H101 PolarHBondContact O-N 2.9Å
25E90.5Very high85.8Confident81 Ų8166.9 Ų66.938%0.37937%0.374SS..EExtended strand (participates in β ladder)trans-94.2118.4174-67.1170.317400108.5A22 H101A22-E25 HydrophobicContact CB-CG 4.15Å; A22-E25 PolarHBondContact N-OE2 3.25Å; A22-E25 PolarHBondContact O-N 2.94Å; E25-H101 WeakPolarHBondContact CA-O 3.26Å; E25-H101 HydrophobicContact CG-CB 4.32Å
26I91Very high86.2Confident3 Ų364.7 Ų64.72%0.01537%0.37CS..EExtended strand (participates in β ladder)trans-138.4162.7-176.762.5168.3000109.9P13 T30 L74 F100 H101 V102 D103P13-I26 HydrophobicContact CB-CG2 4.05Å; P13-I26 HydrophobicContact CG-CG2 4.06Å; I26-T30 HydrophobicContact CB-CG2 4.17Å; I26-T30 HydrophobicContact CG2-CG2 4.25Å; I26-L74 HydrophobicContact CD1-CB 3.94Å; I26-L74 HydrophobicContact CD1-CD1 3.66Å; I26-L74 HydrophobicContact CD1-CG 4.12Å; I26-F100 HydrophobicContact CD1-CB 3.97Å; I26-F100 HydrophobicContact CD1-CD1 3.88Å; I26-F100 HydrophobicContact CD1-CG 3.99Å; I26-F100 HydrophobicContact CG1-CB 4.18Å; I26-F100 HydrophobicContact CG1-CD1 4.22Å; I26-F100 HydrophobicContact CG2-CD1 4.11Å; I26-H101 PolarHBondContact N-O 3.2Å; I26-V102 HydrophobicContact CD1-CG2 4.1Å; I26-V102 HydrophobicContact CG1-CG2 3.97Å; I26-V102 CarbonylContact O-C 3.52Å; I26-V102 WeakPolarHBondContact O-CA 3.32Å; I26-D103 PolarHBondContact O-N 2.84Å
27D89.8Confident87Confident22 Ų2264.2 Ų64.212%0.11836%0.363CS..EExtended strand (participates in β ladder)trans-96.5157.9175.4-52.7-47.4000110.4R15 N29 T30 E105R15-D27 IonicContact CZ-OD2 2.63Å; R15-D27 IonicContact NH1-OD2 2.94Å; R15-D27 PolarHBondContact NH1-OD2 2.96Å; R15-D27 IonicContact NH2-OD2 2.92Å; D27-N29 PolarHBondContact O-N 2.87Å; D27-T30 PolarHBondContact N-OG1 3.37Å; D27-T30 WeakPolarHBondContact O-CB 3.46Å; D27-T30 PolarHBondContact O-N 3.49Å; D27-T30 PolarHBondContact O-OG1 3.14Å; D27-E105 HydrophobicContact CB-CB 4.45Å
28N89.9Confident87.8Confident27 Ų2761.1 Ų61.114%0.14434%0.343CS..THydrogen-bonded Turntrans-56.7-20.6175.564.5-5.2000114.4T73 V102 D103 Y104 E105N28-T73 WeakPolarHBondContact O-CB 3.25Å; N28-T73 WeakPolarHBondContact O-CG2 3.23Å; N28-V102 HydrophobicContact CB-CG1 4.09Å; N28-D103 PolarHBondContact N-O 2.88Å; N28-Y104 WeakPolarHBondContact ND2-CD2 3.36Å; N28-E105 PolarHBondContact ND2-O 2.88Å; N28-E105 PolarHBondContact OD1-O 2.88Å
29N88.8Confident88.6Confident93 Ų9361.1 Ų61.150%0.49735%0.351SS..THydrogen-bonded Turntrans-87.8-10.5176.1-59.6-48.4000113D27 L31D27-N29 PolarHBondContact O-N 2.87Å; N29-L31 PolarHBondContact O-N 3.4Å
30T90.1Very high89.4Confident12 Ų1259.8 Ų59.87%0.07434%0.337CS..  trans-71.7124.2-178.6-57.80000110P13 R15 I26 D27 T73P13-T30 HydrophobicContact CB-CG2 4.03Å; R15-T30 HydrophobicContact CB-CG2 4.19Å; I26-T30 HydrophobicContact CB-CG2 4.17Å; I26-T30 HydrophobicContact CG2-CG2 4.25Å; D27-T30 PolarHBondContact N-OG1 3.37Å; D27-T30 WeakPolarHBondContact O-CB 3.46Å; D27-T30 PolarHBondContact O-N 3.49Å; D27-T30 PolarHBondContact O-OG1 3.14Å; T30-T73 WeakPolarHBondContact O-CA 3.34Å
31L92.2Very high90.1Very high73 Ų7357.2 Ų57.238%0.38230%0.304SS..  trans-79.8139.2174.2-67.5171.2000110.4L14 N29 P71 I72 T73L14-L31 HydrophobicContact CB-CB 4.1Å; L14-L31 WeakPolarHBondContact CB-O 3.11Å; L14-L31 HydrophobicContact CD1-CB 3.91Å; L14-L31 HydrophobicContact CG-CB 4.35Å; L14-L31 PolarHBondContact N-O 2.79Å; N29-L31 PolarHBondContact O-N 3.4Å; L31-P71 HydrophobicContact CB-CB 4.05Å; L31-P71 HydrophobicContact CD2-CB 4.39Å; L31-I72 CarbonylContact C-O 3.52Å; L31-I72 WeakPolarHBondContact CA-O 3.36Å; L31-T73 HydrophobicContact CD2-CG2 3.89Å
32L93.4Very high90.8Very high0 Ų054.9 Ų54.90%030%0.296CS..EExtended strand (participates in β ladder)trans-110.3118.1179.9-16566.7000108.9I11 P13 M34 P71 I72 L74 V81 F100I11-L32 HydrophobicContact CG2-CD1 3.57Å; I11-L32 HydrophobicContact CG2-CD2 3.57Å; I11-L32 HydrophobicContact CG2-CG 3.64Å; P13-L32 HydrophobicContact CG-CD1 4.16Å; L32-M34 HydrophobicContact CD2-CE 4.19Å; L32-P71 VanDerWaalsContact O-CA 3.3Å; L32-P71 WeakPolarHBondContact O-CA 3Å; L32-I72 HydrophobicContact CB-CG1 4.12Å; L32-I72 WeakPolarHBondContact CB-O 3.38Å; L32-I72 PolarHBondContact N-O 2.81Å; L32-I72 PolarHBondContact O-N 2.99Å; L32-L74 HydrophobicContact CD2-CD1 3.95Å; L32-L74 HydrophobicContact CD2-CD2 4.19Å; L32-L74 HydrophobicContact CD2-CG 4.12Å; L32-V81 HydrophobicContact CD2-CG1 4.44Å; L32-V81 HydrophobicContact CD2-CG2 4.16Å; L32-F100 HydrophobicContact CD1-CE1 4.29Å; L32-F100 HydrophobicContact CD1-CE2 4.11Å; L32-F100 HydrophobicContact CD1-CZ 3.75Å; L32-F100 HydrophobicContact CD2-CE2 4.13Å
33E94.1Very high91.4Very high41 Ų4154 Ų5419%0.19229%0.286CS..EExtended strand (participates in β ladder)trans-98.3140.3175.8-167-179-145.900110.4I12 L14 K35 Y68I12-E33 PolarHBondContact N-O 2.87Å; I12-E33 PolarHBondContact O-N 2.03Å; L14-E33 HydrophobicContact CD1-CB 4.15Å; L14-E33 HydrophobicContact CD2-CB 3.74Å; L14-E33 HydrophobicContact CD2-CG 4.48Å; L14-E33 HydrophobicContact CG-CB 3.87Å; E33-K35 HydrophobicContact CG-CG 4.25Å; E33-K35 WeakPolarHBondContact OE1-CE 3.49Å; E33-K35 IonicContact OE1-NZ 2.65Å; E33-K35 PolarHBondContact OE1-NZ 3.24Å; E33-K35 WeakPolarHBondContact OE2-CE 3.33Å; E33-K35 IonicContact OE2-NZ 2.67Å; E33-K35 PolarHBondContact OE2-NZ 2.84Å; E33-Y68 WeakPolarHBondContact CA-OH 2.93Å; E33-Y68 WeakPolarHBondContact CG-OH 3.1Å
34M94.9Very high91.9Very high6 Ų648.9 Ų48.93%0.0326%0.258CS..EExtended strand (participates in β ladder)trans-116.7124.8171.7-57.6-175.7-17500110Q10 I11 L32 I43 Y45 Y68 I72 V81 A83Q10-M34 CarbonylContact O-C 3.58Å; Q10-M34 VanDerWaalsContact O-CA 3.26Å; Q10-M34 WeakPolarHBondContact O-CA 3.05Å; I11-M34 HydrophobicContact CG1-CG 4.33Å; L32-M34 HydrophobicContact CD2-CE 4.19Å; M34-I43 HydrophobicContact CB-CD1 4.1Å; M34-I43 HydrophobicContact CB-CG2 4.2Å; M34-I43 HydrophobicContact SD-CG2 4.02Å; M34-Y45 HydrophobicContact CE-CD1 4.08Å; M34-Y45 HydrophobicContact CE-CD2 3.88Å; M34-Y45 HydrophobicContact CE-CG 3.65Å; M34-Y45 HydrophobicContact SD-CD1 3.9Å; M34-Y45 HydrophobicContact SD-CG 3.91Å; M34-Y68 HydrophobicContact CB-CD1 3.99Å; M34-Y68 HydrophobicContact CB-CD2 3.88Å; M34-Y68 HydrophobicContact CB-CE1 4.02Å; M34-Y68 HydrophobicContact CB-CE2 3.91Å; M34-Y68 HydrophobicContact CB-CG 3.93Å; M34-Y68 HydrophobicContact CG-CD2 3.87Å; M34-Y68 HydrophobicContact CG-CE2 3.96Å; M34-Y68 HydrophobicContact CG-CG 4.34Å; M34-Y68 VanDerWaalsContact N-CZ 3.26Å; M34-Y68 PolarHBondContact N-OH 3.5Å; M34-Y68 VanDerWaalsContact N-OH 3.17Å; M34-Y68 WeakPolarHBondContact O-CE1 3.09Å; M34-Y68 HydrophobicContact SD-CD2 3.95Å; M34-Y68 HydrophobicContact SD-CG 4.3Å; M34-I72 HydrophobicContact CE-CD1 4.31Å; M34-V81 HydrophobicContact CE-CG1 3.59Å; M34-A83 HydrophobicContact SD-CB 4.13Å
35K93.9Very high92.2Very high99 Ų9944.7 Ų44.743%0.4324%0.238SC..EExtended strand (participates in β ladder)trans-125.5155.9-179.2-77.3178.4164.11480110.7P9 Q10 I12 E33P9-K35 CarbonylContact C-O 3.43Å; P9-K35 WeakPolarHBondContact CA-O 3.35Å; Q10-K35 PolarHBondContact N-O 3.46Å; Q10-K35 PolarHBondContact O-N 3.36Å; I12-K35 HydrophobicContact CD1-CD 4.35Å; E33-K35 HydrophobicContact CG-CG 4.25Å; E33-K35 WeakPolarHBondContact OE1-CE 3.49Å; E33-K35 IonicContact OE1-NZ 2.65Å; E33-K35 PolarHBondContact OE1-NZ 3.24Å; E33-K35 WeakPolarHBondContact OE2-CE 3.33Å; E33-K35 IonicContact OE2-NZ 2.67Å; E33-K35 PolarHBondContact OE2-NZ 2.84Å
36S94.4Very high92.4Very high26 Ų2640.9 Ų40.918%0.18222%0.221CC..  trans-136.7141.7170-178.20000108.1C7 T38C7-S36 PolarHBondContact O-OG 2.89Å; S36-T38 PolarHBondContact O-N 3.14Å; S36-T38 PolarHBondContact OG-N 3.19Å
37D93Very high92.5Very high112 Ų11241.7 Ų41.760%0.59923%0.225SC*.SBendtrans-71.1-15.7177.6-55.6-42.2000111.8C7 Q10C7-D37 HydrophobicContact CB-CB 4.14Å; Q10-D37 PolarHBondContact NE2-OD1 3.43Å; Q10-D37 PolarHBondContact NE2-OD2 2.91Å
38T91.4Very high92.5Very high30 Ų3045.6 Ų45.618%0.18425%0.246CC..SBendtrans-86.3125.3175.4-52.60000110V6 C7 S36 V41V6-T38 HydrophobicContact CG1-CG2 4.37Å; C7-T38 WeakPolarHBondContact CB-OG1 3.35Å; C7-T38 PolarHBondContact N-OG1 2.67Å; C7-T38 PolarHBondContact SG-OG1 3.45Å; S36-T38 PolarHBondContact O-N 3.14Å; S36-T38 PolarHBondContact OG-N 3.19Å; T38-V41 HydrophobicContact CG2-CG1 3.7Å; T38-V41 WeakPolarHBondContact O-CG2 3.4Å
39P90.1Very high92.4Very high97 Ų9744.8 Ų44.863%0.6324%0.244SC*.THydrogen-bonded Turntrans-69164.2174.830.3-35.3000111.4V41P39-V41 VanDerWaalsContact C-N 3.26Å; P39-V41 PolarHBondContact O-N 2.99Å
40D89.7Confident92.5Very high106 Ų10643.2 Ų43.257%0.56724%0.24SC*.THydrogen-bonded Turntrans5830.9172.8-66.9-75.8000115.6K88D40-K88 HydrophobicContact CB-CD 4.11Å; D40-K88 WeakPolarHBondContact OD1-CE 3.3Å; D40-K88 IonicContact OD1-NZ 3.72Å; D40-K88 PolarHBondContact OD1-NZ 2.95Å
41V93.1Very high92.5Very high32 Ų3249.5 Ų49.519%0.19427%0.266CS..EExtended strand (participates in β ladder)trans-103.6149.6176.2-57.90000112.4V6 T38 P39 I43 A85 V86V6-V41 HydrophobicContact CG1-CG1 3.94Å; T38-V41 HydrophobicContact CG2-CG1 3.7Å; T38-V41 WeakPolarHBondContact O-CG2 3.4Å; P39-V41 VanDerWaalsContact C-N 3.26Å; P39-V41 PolarHBondContact O-N 2.99Å; V41-I43 HydrophobicContact CG2-CG1 4.45Å; V41-A85 HydrophobicContact CB-CB 4.3Å; V41-A85 HydrophobicContact CG2-CB 4.2Å; V41-V86 CarbonylContact C-O 3.57Å; V41-V86 WeakPolarHBondContact CA-O 3.38Å
42N93.4Very high92.4Very high46 Ų4646.2 Ų46.225%0.24625%0.25CC..EExtended strand (participates in β ladder)trans-101.3127.5166.4-65.8-74.5000108.8Y44 K67 V86N42-Y44 HydrophobicContact CB-CD2 4.46Å; N42-Y44 HydrophobicContact CB-CE2 3.66Å; N42-K67 WeakPolarHBondContact OD1-CE 3.4Å; N42-K67 PolarHBondContact OD1-NZ 2.81Å; N42-V86 PolarHBondContact N-O 2.86Å; N42-V86 PolarHBondContact O-N 2.97Å
43I94.8Very high92Very high13 Ų1350.3 Ų50.37%0.06727%0.269CS..EExtended strand (participates in β ladder)trans-95.5132.1176.9-59.4169.9000109.1P9 M34 V41 Y68 A83 I84 A85P9-I43 HydrophobicContact CB-CD1 4.08Å; P9-I43 HydrophobicContact CB-CG1 4.29Å; P9-I43 HydrophobicContact CB-CG2 4.14Å; P9-I43 HydrophobicContact CG-CG2 4.38Å; M34-I43 HydrophobicContact CB-CD1 4.1Å; M34-I43 HydrophobicContact CB-CG2 4.2Å; M34-I43 HydrophobicContact SD-CG2 4.02Å; V41-I43 HydrophobicContact CG2-CG1 4.45Å; I43-Y68 PolarHBondContact O-N 2.92Å; I43-A83 HydrophobicContact CG2-CB 4.25Å; I43-I84 WeakPolarHBondContact CA-O 3.24Å; I43-A85 HydrophobicContact CG1-CB 4.37Å
44Y94Very high91.4Very high18 Ų1849.2 Ų49.27%0.07126%0.263CS..EExtended strand (participates in β ladder)trans-120.8138.5176.3-64.1-88.8000109.6N42 F54 T65 F66 K67 A83 I84 V86 P160N42-Y44 HydrophobicContact CB-CD2 4.46Å; N42-Y44 HydrophobicContact CB-CE2 3.66Å; Y44-F54 HydrophobicContact CD1-CB 4.32Å; Y44-F54 HydrophobicContact CD2-CB 3.73Å; Y44-F54 HydrophobicContact CE1-CB 4.42Å; Y44-F54 HydrophobicContact CE2-CB 3.85Å; Y44-F54 HydrophobicContact CG-CB 3.97Å; Y44-T65 HydrophobicContact CD1-CG2 4.36Å; Y44-F66 CarbonylContact C-O 3.26Å; Y44-F66 VanDerWaalsContact CA-O 3.24Å; Y44-F66 WeakPolarHBondContact CA-O 3.41Å; Y44-K67 HydrophobicContact CD1-CB 4.16Å; Y44-K67 HydrophobicContact CD1-CG 4.42Å; Y44-K67 HydrophobicContact CE1-CB 4.02Å; Y44-K67 HydrophobicContact CE1-CD 4.43Å; Y44-K67 HydrophobicContact CE1-CG 4.05Å; Y44-A83 CarbonylContact O-C 3.51Å; Y44-A83 VanDerWaalsContact O-CA 3.23Å; Y44-A83 WeakPolarHBondContact O-CA 3.34Å; Y44-I84 PolarHBondContact N-O 3.37Å; Y44-I84 PolarHBondContact O-N 3.24Å; Y44-V86 HydrophobicContact CD2-CB 4.28Å; Y44-V86 HydrophobicContact CD2-CG2 3.73Å; Y44-V86 HydrophobicContact CE2-CB 4.03Å; Y44-V86 HydrophobicContact CE2-CG2 3.91Å; Y44-P160 WeakPolarHBondContact OH-CG 3.45Å
45Y94.2Very high90.4Very high1 Ų152.1 Ų52.10%0.00428%0.279CS..EExtended strand (participates in β ladder)trans-143.7162.7-174.470.4-84.1000113.8M34 L47 T65 F66 Y68 I72 K82M34-Y45 HydrophobicContact CE-CD1 4.08Å; M34-Y45 HydrophobicContact CE-CD2 3.88Å; M34-Y45 HydrophobicContact CE-CG 3.65Å; M34-Y45 HydrophobicContact SD-CD1 3.9Å; M34-Y45 HydrophobicContact SD-CG 3.91Å; Y45-L47 HydrophobicContact CD2-CD2 3.91Å; Y45-L47 HydrophobicContact CD2-CG 4.29Å; Y45-L47 HydrophobicContact CE2-CD1 4.47Å; Y45-L47 HydrophobicContact CE2-CD2 3.96Å; Y45-L47 HydrophobicContact CE2-CG 4.15Å; Y45-T65 CarbonylContact O-C 3.6Å; Y45-T65 WeakPolarHBondContact O-CA 3.09Å; Y45-F66 HydrophobicContact CD1-CB 4.15Å; Y45-F66 WeakPolarHBondContact CD1-O 3.47Å; Y45-F66 HydrophobicContact CD2-CB 4.36Å; Y45-F66 HydrophobicContact CE1-CB 3.61Å; Y45-F66 HydrophobicContact CE2-CB 3.85Å; Y45-F66 HydrophobicContact CE2-CD2 4.06Å; Y45-F66 HydrophobicContact CE2-CG 4.28Å; Y45-F66 HydrophobicContact CG-CB 4.49Å; Y45-F66 VanDerWaalsContact CZ-CB 3.43Å; Y45-F66 PolarHBondContact N-O 2.83Å; Y45-F66 PolarHBondContact O-N 2.73Å; Y45-Y68 HydrophobicContact CE1-CD2 4.37Å; Y45-I72 HydrophobicContact CD2-CD1 4.21Å; Y45-I72 HydrophobicContact CE1-CD1 4.47Å; Y45-I72 HydrophobicContact CE2-CD1 3.4Å; Y45-I72 VanDerWaalsContact CE2-CD1 3.4Å; Y45-K82 CarbonylContact C-O 3.48Å; Y45-K82 WeakPolarHBondContact CA-O 3.45Å; Y45-K82 VanDerWaalsContact CB-O 3.28Å; Y45-K82 WeakPolarHBondContact CB-O 3.41Å
46T94Very high89.3Confident1 Ų150.4 Ų50.41%0.00627%0.271CS..EExtended strand (participates in β ladder)trans-132.6153.2173.8570000108.8S50 P52 V81 K82T46-S50 PolarHBondContact OG1-O 2.95Å; T46-P52 HydrophobicContact CG2-CB 4.1Å; T46-V81 WeakPolarHBondContact O-CA 3.43Å; T46-K82 PolarHBondContact N-O 3.14Å; T46-K82 PolarHBondContact O-N 2.69Å
47L93.5Very high87.8Confident20 Ų2058.1 Ų58.111%0.10530%0.297CS..SBendtrans-109.3-17.7178.8-56.1177000112.4Y45 G49 I72 L74 I79 Q80 V81 W150 V152Y45-L47 HydrophobicContact CD2-CD2 3.91Å; Y45-L47 HydrophobicContact CD2-CG 4.29Å; Y45-L47 HydrophobicContact CE2-CD1 4.47Å; Y45-L47 HydrophobicContact CE2-CD2 3.96Å; Y45-L47 HydrophobicContact CE2-CG 4.15Å; L47-G49 PolarHBondContact O-N 3.44Å; L47-I72 HydrophobicContact CD2-CD1 4.41Å; L47-L74 HydrophobicContact CD2-CD2 3.69Å; L47-I79 HydrophobicContact CB-CG2 4.05Å; L47-I79 WeakPolarHBondContact O-CG2 3.45Å; L47-Q80 CarbonylContact C-O 3.57Å; L47-Q80 VanDerWaalsContact C-O 3.26Å; L47-Q80 CarbonylContact O-C 3.56Å; L47-Q80 PolarHBondContact O-N 3.05Å; L47-V81 HydrophobicContact CD2-CG1 4.26Å; L47-V81 HydrophobicContact CD2-CG2 3.81Å; L47-W150 HydrophobicContact CD1-CH2 4.4Å; L47-W150 HydrophobicContact CD1-CZ2 3.48Å; L47-W150 VanDerWaalsContact CD1-CZ2 3.48Å; L47-V152 HydrophobicContact CD1-CG2 4.15Å
48D88.9Confident86Confident104 Ų10461.2 Ų61.256%0.55631%0.311SS*.BIsolated β-bridgetrans-81.41.5-179.7-48.5-70.8000113.4S50D48-S50 PolarHBondContact O-N 2.83Å
49G89Confident84.5Confident11 Ų1163.8 Ų63.811%0.11334%0.343CS..SBendtrans71.94.9-170.600000114.7L47 Q80 K82L47-G49 PolarHBondContact O-N 3.44Å; G49-Q80 WeakPolarHBondContact CA-O 3.2Å; G49-Q80 PolarHBondContact N-O 3.09Å; G49-K82 VanDerWaalsContact O-CD 3.27Å; G49-K82 WeakPolarHBondContact O-CD 3.45Å; G49-K82 WeakPolarHBondContact O-CE 3.14Å; G49-K82 PolarHBondContact O-NZ 3.44Å
50S90.6Very high82.8Confident59 Ų5968 Ų6841%0.41335%0.348SS..PPolyproline II helixtrans-70.1156.9172.6-71.20000111.8T46 D48T46-S50 PolarHBondContact OG1-O 2.95Å; D48-S50 PolarHBondContact O-N 2.83Å
51K90.2Very high81.4Confident144 Ų14466 Ų6663%0.62635%0.353SS*.PPolyproline II helixtrans-66.4127178.5-177173.8180-178.90109.9E53 I95K51-E53 PolarHBondContact O-N 3.17Å; K51-I95 HydrophobicContact CD-CD1 4.17Å; K51-I95 HydrophobicContact CG-CD1 3.73Å
52P89.9Confident80.1Confident5 Ų571.5 Ų71.53%0.03238%0.376CS..PPolyproline II helixtrans-68.2123.8175.226.8-32.9000110.1T46 T65 I84 I95T46-P52 HydrophobicContact CG2-CB 4.1Å; P52-T65 WeakPolarHBondContact CA-OG1 3.21Å; P52-T65 HydrophobicContact CB-CG2 3.94Å; P52-I84 HydrophobicContact CB-CG2 3.88Å; P52-I84 HydrophobicContact CG-CB 4.03Å; P52-I84 HydrophobicContact CG-CG2 3.75Å; P52-I95 HydrophobicContact CG-CG1 4.3Å; P52-I95 HydrophobicContact CG-CG2 4.33Å
53E85.1Confident79.1Confident86 Ų8670.8 Ų70.840%0.40237%0.373SS..  trans-110.3109.6176.6-65.4-164.4165.800109.7K51 T65K51-E53 PolarHBondContact O-N 3.17Å; E53-T65 PolarHBondContact N-OG1 2.68Å
54F80.4Confident78.6Confident17 Ų1773.8 Ų73.88%0.07539%0.389CS..SBendtrans-83.3-25.817778.5-72.3000112.7Y44 V86 Q92 C163Y44-F54 HydrophobicContact CD1-CB 4.32Å; Y44-F54 HydrophobicContact CD2-CB 3.73Å; Y44-F54 HydrophobicContact CE1-CB 4.42Å; Y44-F54 HydrophobicContact CE2-CB 3.85Å; Y44-F54 HydrophobicContact CG-CB 3.97Å; F54-V86 HydrophobicContact CB-CG2 4.02Å; F54-V86 HydrophobicContact CD1-CG2 4.19Å; F54-V86 HydrophobicContact CD2-CB 4.45Å; F54-V86 HydrophobicContact CD2-CG1 3.79Å; F54-V86 HydrophobicContact CD2-CG2 3.99Å; F54-V86 HydrophobicContact CE2-CG1 3.78Å; F54-V86 HydrophobicContact CG-CG1 4.43Å; F54-V86 HydrophobicContact CG-CG2 3.79Å; F54-V86 HydrophobicContact CZ-CG1 4.48Å; F54-Q92 HydrophobicContact CD1-CG 4.21Å; F54-Q92 HydrophobicContact CE1-CG 3.67Å; F54-Q92 HydrophobicContact CZ-CG 3.94Å; F54-Q92 VanDerWaalsContact CZ-NE2 3.25Å; F54-C163 HydrophobicContact CE2-CB 4.12Å
55L74.9Confident78.4Confident67 Ų6774.2 Ų74.235%0.35139%0.393SS..SBendtrans-97.8101.4174.4-64.1175.3000108.8R57 V159 C163L55-R57 PolarHBondContact O-N 3.17Å; L55-R57 VanDerWaalsContact O-N 3.15Å; L55-V159 HydrophobicContact CD2-CG1 3.72Å; L55-C163 HydrophobicContact CD2-CB 3.78Å
56K70.6Confident78.2Confident63 Ų6376.2 Ų76.227%0.27440%0.402SS..PPolyproline II helixtrans-61.1118.5169.3-68.6178.5174.1162.40108.5I58 K156 F157 V159K56-I58 PolarHBondContact O-N 2.82Å; K56-K156 VanDerWaalsContact NZ-CG 3.33Å; K56-F157 PolarHBondContact NZ-O 3.09Å; K56-V159 HydrophobicContact CB-CG2 3.87Å; K56-V159 HydrophobicContact CD-CG2 4.38Å; K56-V159 HydrophobicContact CG-CG2 4.12Å
57R63.7Low78.1Confident189 Ų18978.7 Ų78.771%0.71341%0.412SS*.PPolyproline II helixtrans-70.1116.1160.3-64.8-163.7-162.9-170.67.7107L55 G59 Y60L55-R57 PolarHBondContact O-N 3.17Å; L55-R57 VanDerWaalsContact O-N 3.15Å; R57-G59 PolarHBondContact O-N 2.85Å; R57-G59 VanDerWaalsContact O-N 3.13Å; R57-Y60 PolarHBondContact O-N 2.85Å
58I54.6Low78.1Confident177 Ų17779.3 Ų79.391%0.90841%0.414SS*.THydrogen-bonded Turntrans-57119.8174.2-59.1169.9000106.9K56K56-I58 PolarHBondContact O-N 2.82Å
59G58.9Low78.2Confident83 Ų8378.6 Ų78.686%0.85641%0.409SS*.THydrogen-bonded Turntrans100.30.3178.900000116.8R57R57-G59 PolarHBondContact O-N 2.85Å; R57-G59 VanDerWaalsContact O-N 3.13Å
60Y55.3Low78.4Confident186 Ų18682.2 Ų82.273%0.72942%0.421SS*.SBendtrans-117.698.1179.6-151.7-97000111.7R57R57-Y60 PolarHBondContact O-N 2.85Å
61G60.5Low78.6Confident65 Ų6581.5 Ų81.567%0.6742%0.416SS*.  trans62.4166.7160.500000119.5N63G61-N63 PolarHBondContact O-ND2 2.9Å
62E66.1Low78.7Confident147 Ų14774.8 Ų74.869%0.68739%0.386SS*.  trans-63.4131.5163.9-16290.3-119.900108.5K156E62-K156 IonicContact OE1-NZ 2.68Å; E62-K156 PolarHBondContact OE1-NZ 2.74Å
63N72.3Confident78.9Confident31 Ų3175.7 Ų75.717%0.16639%0.392CS..  trans-96.7115.5178-71.2-111.8000108.5G61 T65G61-N63 PolarHBondContact O-ND2 2.9Å; N63-T65 PolarHBondContact O-N 2.95Å
64N84.1Confident79.2Confident76 Ų7671.7 Ų71.741%0.40637%0.373SS..  trans-79.913.7174.1-62.7-25.9000113F66N64-F66 WeakPolarHBondContact O-CD2 3.36Å; N64-F66 VanDerWaalsContact O-CE2 3.26Å; N64-F66 WeakPolarHBondContact O-CE2 3.41Å
65T89.2Confident79.7Confident26 Ų2673.1 Ų73.116%0.1638%0.384CS..PPolyproline II helixtrans-92.1122.1180-56.10000110.1Y44 Y45 P52 E53 N63Y44-T65 HydrophobicContact CD1-CG2 4.36Å; Y45-T65 CarbonylContact O-C 3.6Å; Y45-T65 WeakPolarHBondContact O-CA 3.09Å; P52-T65 WeakPolarHBondContact CA-OG1 3.21Å; P52-T65 HydrophobicContact CB-CG2 3.94Å; E53-T65 PolarHBondContact N-OG1 2.68Å; N63-T65 PolarHBondContact O-N 2.95Å
66F89.6Confident80.4Confident44 Ų4473.7 Ų73.719%0.19339%0.388CS..EExtended strand (participates in β ladder)trans-102.8147.4179.8-58.6-76.2000110.7Y44 Y45 N64 V152 L154Y44-F66 CarbonylContact C-O 3.26Å; Y44-F66 VanDerWaalsContact CA-O 3.24Å; Y44-F66 WeakPolarHBondContact CA-O 3.41Å; Y45-F66 HydrophobicContact CD1-CB 4.15Å; Y45-F66 WeakPolarHBondContact CD1-O 3.47Å; Y45-F66 HydrophobicContact CD2-CB 4.36Å; Y45-F66 HydrophobicContact CE1-CB 3.61Å; Y45-F66 HydrophobicContact CE2-CB 3.85Å; Y45-F66 HydrophobicContact CE2-CD2 4.06Å; Y45-F66 HydrophobicContact CE2-CG 4.28Å; Y45-F66 HydrophobicContact CG-CB 4.49Å; Y45-F66 VanDerWaalsContact CZ-CB 3.43Å; Y45-F66 PolarHBondContact N-O 2.83Å; Y45-F66 PolarHBondContact O-N 2.73Å; N64-F66 WeakPolarHBondContact O-CD2 3.36Å; N64-F66 VanDerWaalsContact O-CE2 3.26Å; N64-F66 WeakPolarHBondContact O-CE2 3.41Å; F66-V152 HydrophobicContact CD1-CG1 3.6Å; F66-V152 HydrophobicContact CD2-CG1 4.33Å; F66-V152 HydrophobicContact CE1-CG1 3.8Å; F66-V152 HydrophobicContact CE2-CG1 4.49Å; F66-V152 HydrophobicContact CG-CG1 3.9Å; F66-V152 HydrophobicContact CZ-CG1 4.25Å; F66-L154 HydrophobicContact CE1-CD1 4.43Å; F66-L154 HydrophobicContact CE1-CG 4.18Å
67K92.2Very high81.4Confident52 Ų5272.4 Ų72.423%0.22639%0.393CS..EExtended strand (participates in β ladder)trans-89128.1170.5-173.7-179178.5178.10109N42 Y44 F157N42-K67 WeakPolarHBondContact OD1-CE 3.4Å; N42-K67 PolarHBondContact OD1-NZ 2.81Å; Y44-K67 HydrophobicContact CD1-CB 4.16Å; Y44-K67 HydrophobicContact CD1-CG 4.42Å; Y44-K67 HydrophobicContact CE1-CB 4.02Å; Y44-K67 HydrophobicContact CE1-CD 4.43Å; Y44-K67 HydrophobicContact CE1-CG 4.05Å; K67-F157 HydrophobicContact CB-CD2 3.81Å; K67-F157 HydrophobicContact CB-CE2 4.3Å; K67-F157 HydrophobicContact CD-CD2 4.13Å; K67-F157 HydrophobicContact CD-CG 4.37Å
68Y93.8Very high82.9Confident33 Ų3370 Ų7013%0.12939%0.387CS..PPolyproline II helixtrans-74.4131.3174.5-176.6-101.1000110.6E33 M34 I43 Y45 K70E33-Y68 WeakPolarHBondContact CA-OH 2.93Å; E33-Y68 WeakPolarHBondContact CG-OH 3.1Å; M34-Y68 HydrophobicContact CB-CD1 3.99Å; M34-Y68 HydrophobicContact CB-CD2 3.88Å; M34-Y68 HydrophobicContact CB-CE1 4.02Å; M34-Y68 HydrophobicContact CB-CE2 3.91Å; M34-Y68 HydrophobicContact CB-CG 3.93Å; M34-Y68 HydrophobicContact CG-CD2 3.87Å; M34-Y68 HydrophobicContact CG-CE2 3.96Å; M34-Y68 HydrophobicContact CG-CG 4.34Å; M34-Y68 VanDerWaalsContact N-CZ 3.26Å; M34-Y68 PolarHBondContact N-OH 3.5Å; M34-Y68 VanDerWaalsContact N-OH 3.17Å; M34-Y68 WeakPolarHBondContact O-CE1 3.09Å; M34-Y68 HydrophobicContact SD-CD2 3.95Å; M34-Y68 HydrophobicContact SD-CG 4.3Å; I43-Y68 PolarHBondContact O-N 2.92Å; Y45-Y68 HydrophobicContact CE1-CD2 4.37Å; Y68-K70 WeakPolarHBondContact CE2-O 3.46Å
69I92.3Very high84.8Confident89 Ų8962.7 Ų62.746%0.45635%0.35SS..  trans-136.6-38.7-177.7-64.4171.7000110.5N153 F157I69-N153 WeakPolarHBondContact CD1-ND2 3.48Å; I69-F157 HydrophobicContact CD1-CD2 4.47Å; I69-F157 HydrophobicContact CD1-CE1 4.45Å; I69-F157 HydrophobicContact CD1-CE2 3.36Å; I69-F157 HydrophobicContact CD1-CZ 3.35Å
70K92.9Very high86.5Confident87 Ų8762.6 Ų62.638%0.37833%0.327SS..SBendtrans-145.3162.6-178.764.5174.8-170.9170.30109.5Y68 N151Y68-K70 WeakPolarHBondContact CE2-O 3.46Å; K70-N151 PolarHBondContact NZ-OD1 3.39Å
71P93.9Very high88.4Confident45 Ų4553.7 Ų53.729%0.29229%0.292SS..  trans-54.5139.3171.2-24.934.8000111.8L14 L31 L32L14-P71 HydrophobicContact CD1-CB 3.94Å; L14-P71 HydrophobicContact CD1-CG 3.93Å; L31-P71 HydrophobicContact CB-CB 4.05Å; L31-P71 HydrophobicContact CD2-CB 4.39Å; L32-P71 VanDerWaalsContact O-CA 3.3Å; L32-P71 WeakPolarHBondContact O-CA 3Å
72I93.5Very high90.1Very high2 Ų253 Ų531%0.0127%0.271CS..BIsolated β-bridgetrans-119.3155.3-177.962.4175.1000109.5L31 L32 M34 Y45 L47 V152L31-I72 CarbonylContact C-O 3.52Å; L31-I72 WeakPolarHBondContact CA-O 3.36Å; L32-I72 HydrophobicContact CB-CG1 4.12Å; L32-I72 WeakPolarHBondContact CB-O 3.38Å; L32-I72 PolarHBondContact N-O 2.81Å; L32-I72 PolarHBondContact O-N 2.99Å; M34-I72 HydrophobicContact CE-CD1 4.31Å; Y45-I72 HydrophobicContact CD2-CD1 4.21Å; Y45-I72 HydrophobicContact CE1-CD1 4.47Å; Y45-I72 HydrophobicContact CE2-CD1 3.4Å; Y45-I72 VanDerWaalsContact CE2-CD1 3.4Å; L47-I72 HydrophobicContact CD2-CD1 4.41Å; I72-V152 HydrophobicContact CB-CG2 4.26Å; I72-V152 HydrophobicContact CD1-CG2 4.21Å; I72-V152 HydrophobicContact CG2-CG2 4.21Å
73T92.4Very high91.5Very high25 Ų2546 Ų4615%0.15324%0.238CC..  trans-74.6-167.8171.337.50000111.1N28 T30 L31 W150N28-T73 WeakPolarHBondContact O-CB 3.25Å; N28-T73 WeakPolarHBondContact O-CG2 3.23Å; T30-T73 WeakPolarHBondContact O-CA 3.34Å; L31-T73 HydrophobicContact CD2-CG2 3.89Å; T73-W150 WeakPolarHBondContact O-CH2 3.4Å; T73-W150 WeakPolarHBondContact O-CZ3 3.43Å; T73-W150 VanDerWaalsContact OG1-CE3 3.23Å; T73-W150 WeakPolarHBondContact OG1-CZ3 3.28Å
74L91.9Very high92.6Very high1 Ų144.7 Ų44.71%0.00523%0.231CC..  trans-123.1139.4154.1-71.3-175.6000112.8I26 L32 L47 I79 V81 F100 V102 W150I26-L74 HydrophobicContact CD1-CB 3.94Å; I26-L74 HydrophobicContact CD1-CD1 3.66Å; I26-L74 HydrophobicContact CD1-CG 4.12Å; L32-L74 HydrophobicContact CD2-CD1 3.95Å; L32-L74 HydrophobicContact CD2-CD2 4.19Å; L32-L74 HydrophobicContact CD2-CG 4.12Å; L47-L74 HydrophobicContact CD2-CD2 3.69Å; L74-I79 HydrophobicContact CD2-CG2 4.16Å; L74-V81 HydrophobicContact CD1-CG2 3.87Å; L74-V81 HydrophobicContact CD2-CG2 3.94Å; L74-F100 HydrophobicContact CD1-CB 3.67Å; L74-F100 HydrophobicContact CD1-CD2 3.36Å; L74-F100 HydrophobicContact CD1-CE2 4.13Å; L74-F100 HydrophobicContact CD1-CG 3.6Å; L74-V102 HydrophobicContact CB-CG2 3.61Å; L74-V102 HydrophobicContact CD1-CG2 4.46Å; L74-W150 HydrophobicContact CB-CH2 4.26Å; L74-W150 HydrophobicContact CD2-CH2 3.88Å; L74-W150 HydrophobicContact CD2-CZ2 4.43Å; L74-W150 HydrophobicContact CG-CH2 4.44Å; L74-W150 VanDerWaalsContact N-CH2 3.27Å; L74-W150 WeakPolarHBondContact O-CZ3 3.05Å
75P91.3Very high93.1Very high47 Ų4741 Ų4131%0.30521%0.212SC..  trans-70.7156.2176.931-33.9000109I79 V102 W150P75-I79 HydrophobicContact CG-CD1 3.68Å; P75-I79 HydrophobicContact CG-CG1 3.94Å; P75-I79 WeakPolarHBondContact O-CG1 3.45Å; P75-V102 VanDerWaalsContact O-CB 3.23Å; P75-V102 WeakPolarHBondContact O-CB 3.42Å; P75-V102 WeakPolarHBondContact O-CG1 3.42Å; P75-V102 VanDerWaalsContact O-CG2 3.3Å; P75-V102 WeakPolarHBondContact O-CG2 3.3Å; P75-W150 HydrophobicContact CB-CE3 4.49Å; P75-W150 VanDerWaalsContact CD-CZ3 3.45Å
76D90.4Very high93.3Very high79 Ų7940 Ų4042%0.42221%0.205SC..SBendtrans-59.5141.7-179.550.1-73.7000112.3Y104 R148D76-Y104 HydrophobicContact CB-CD2 4.49Å; D76-R148 IonicContact OD1-NH1 3.93Å; D76-R148 PolarHBondContact OD1-NH1 3.21Å; D76-R148 IonicContact OD2-NH1 3.84Å
77G91.6Very high93.4Very high37 Ų3738.4 Ų38.438%0.38120%0.199SC..EExtended strand (participates in β ladder)trans109.1-164-17900000115.2V102G77-V102 PolarHBondContact N-O 3.35Å; G77-V102 WeakPolarHBondContact O-CB 3.48Å; G77-V102 PolarHBondContact O-N 2.93Å
78K94.4Very high93.2Very high137 Ų13742.1 Ų42.160%0.59622%0.215SC*.EExtended strand (participates in β ladder)trans-91.9104.7-177.1-175.1179.8-177.2176.10110.5V99 F100K78-V99 HydrophobicContact CG-CG1 3.98Å; K78-F100 WeakPolarHBondContact CA-O 3.45Å
79I93.9Very high92.9Very high24 Ų2446.5 Ų46.512%0.12324%0.241CC..EExtended strand (participates in β ladder)trans-109.9133.8-172.9-51.8-56.8000110.7L47 L74 P75 V81 V99 F100 V102L47-I79 HydrophobicContact CB-CG2 4.05Å; L47-I79 WeakPolarHBondContact O-CG2 3.45Å; L74-I79 HydrophobicContact CD2-CG2 4.16Å; P75-I79 HydrophobicContact CG-CD1 3.68Å; P75-I79 HydrophobicContact CG-CG1 3.94Å; P75-I79 WeakPolarHBondContact O-CG1 3.45Å; I79-V81 HydrophobicContact CG2-CG2 4.28Å; I79-V99 WeakPolarHBondContact O-CA 3.26Å; I79-F100 PolarHBondContact N-O 2.79Å; I79-F100 PolarHBondContact O-N 3.15Å; I79-V102 HydrophobicContact CG1-CG2 4.13Å
80Q95.3Very high92.6Very high81 Ų8143.9 Ų43.938%0.37923%0.231SC..EExtended strand (participates in β ladder)trans-107.799.7178-64.7-167.638.900110.3L47 G49 V99L47-Q80 CarbonylContact C-O 3.57Å; L47-Q80 VanDerWaalsContact C-O 3.26Å; L47-Q80 CarbonylContact O-C 3.56Å; L47-Q80 PolarHBondContact O-N 3.05Å; G49-Q80 WeakPolarHBondContact CA-O 3.2Å; G49-Q80 PolarHBondContact N-O 3.09Å; Q80-V99 HydrophobicContact CG-CG1 4.35Å; Q80-V99 HydrophobicContact CG-CG2 4.07Å
81V95.1Very high92.4Very high0 Ų046.3 Ų46.30%024%0.237CC..EExtended strand (participates in β ladder)trans-84.7119.9177.8-172.10000109.4I11 L32 M34 T46 L47 L74 I79 T97 K98 F100I11-V81 HydrophobicContact CD1-CB 4.19Å; I11-V81 HydrophobicContact CD1-CG1 3.75Å; L32-V81 HydrophobicContact CD2-CG1 4.44Å; L32-V81 HydrophobicContact CD2-CG2 4.16Å; M34-V81 HydrophobicContact CE-CG1 3.59Å; T46-V81 WeakPolarHBondContact O-CA 3.43Å; L47-V81 HydrophobicContact CD2-CG1 4.26Å; L47-V81 HydrophobicContact CD2-CG2 3.81Å; L74-V81 HydrophobicContact CD1-CG2 3.87Å; L74-V81 HydrophobicContact CD2-CG2 3.94Å; I79-V81 HydrophobicContact CG2-CG2 4.28Å; V81-T97 WeakPolarHBondContact O-CA 3.27Å; V81-K98 PolarHBondContact N-O 2.94Å; V81-K98 PolarHBondContact O-N 2.85Å; V81-F100 HydrophobicContact CB-CD2 4.47Å; V81-F100 HydrophobicContact CB-CE2 4.3Å; V81-F100 HydrophobicContact CG2-CD2 3.8Å; V81-F100 HydrophobicContact CG2-CE2 3.97Å
82K95.8Very high92.3Very high50 Ų5048.9 Ų48.922%0.21725%0.245CC..EExtended strand (participates in β ladder)trans-113.4135.9169-65.4-171.4177.3168.50110Y45 T46 G49 I95 V96 T97Y45-K82 CarbonylContact C-O 3.48Å; Y45-K82 WeakPolarHBondContact CA-O 3.45Å; Y45-K82 VanDerWaalsContact CB-O 3.28Å; Y45-K82 WeakPolarHBondContact CB-O 3.41Å; T46-K82 PolarHBondContact N-O 3.14Å; T46-K82 PolarHBondContact O-N 2.69Å; G49-K82 VanDerWaalsContact O-CD 3.27Å; G49-K82 WeakPolarHBondContact O-CD 3.45Å; G49-K82 WeakPolarHBondContact O-CE 3.14Å; G49-K82 PolarHBondContact O-NZ 3.44Å; K82-I95 HydrophobicContact CB-CG2 4.04Å; K82-I95 HydrophobicContact CD-CG2 4.36Å; K82-I95 HydrophobicContact CG-CG2 4.47Å; K82-V96 CarbonylContact C-O 3.51Å; K82-V96 VanDerWaalsContact CA-O 3.25Å; K82-V96 WeakPolarHBondContact CA-O 3.41Å; K82-T97 HydrophobicContact CD-CG2 4.44Å; K82-T97 WeakPolarHBondContact CE-OG1 3.21Å; K82-T97 HydrophobicContact CG-CG2 3.91Å
83A95.6Very high92.3Very high0 Ų049.3 Ų49.30%025%0.249CC..EExtended strand (participates in β ladder)trans-138.1151.6-179.500000112.8P9 I11 M34 I43 Y44 I95 V96P9-A83 HydrophobicContact CG-CB 3.79Å; I11-A83 HydrophobicContact CD1-CB 4.14Å; I11-A83 HydrophobicContact CG1-CB 4.43Å; M34-A83 HydrophobicContact SD-CB 4.13Å; I43-A83 HydrophobicContact CG2-CB 4.25Å; Y44-A83 CarbonylContact O-C 3.51Å; Y44-A83 VanDerWaalsContact O-CA 3.23Å; Y44-A83 WeakPolarHBondContact O-CA 3.34Å; A83-I95 WeakPolarHBondContact O-CA 2.94Å; A83-V96 HydrophobicContact CB-CG1 3.82Å; A83-V96 PolarHBondContact N-O 2.78Å; A83-V96 PolarHBondContact O-N 2.86Å
84I95.1Very high92.4Very high3 Ų350.2 Ų50.22%0.01526%0.263CS..EExtended strand (participates in β ladder)trans-138.3138.8177.1-167.3171.6000109.6I43 Y44 P52 Q92 I95I43-I84 WeakPolarHBondContact CA-O 3.24Å; Y44-I84 PolarHBondContact N-O 3.37Å; Y44-I84 PolarHBondContact O-N 3.24Å; P52-I84 HydrophobicContact CB-CG2 3.88Å; P52-I84 HydrophobicContact CG-CB 4.03Å; P52-I84 HydrophobicContact CG-CG2 3.75Å; I84-Q92 HydrophobicContact CD1-CB 3.9Å; I84-Q92 HydrophobicContact CD1-CG 3.96Å; I84-Q92 HydrophobicContact CG1-CB 4.44Å; I84-I95 HydrophobicContact CB-CG1 4.36Å; I84-I95 HydrophobicContact CD1-CG1 4.12Å; I84-I95 HydrophobicContact CG1-CG1 4.46Å
85A94.9Very high92.5Very high0 Ų053.3 Ų53.30%028%0.279CS..EExtended strand (participates in β ladder)trans-98.213617300000109.8V6 P9 V41 I43 Q92 S93V6-A85 HydrophobicContact CG1-CB 3.96Å; P9-A85 HydrophobicContact CG-CB 4.46Å; V41-A85 HydrophobicContact CB-CB 4.3Å; V41-A85 HydrophobicContact CG2-CB 4.2Å; I43-A85 HydrophobicContact CG1-CB 4.37Å; A85-Q92 WeakPolarHBondContact O-CA 2.76Å; A85-S93 PolarHBondContact N-OG 3.05Å; A85-S93 PolarHBondContact O-N 3.17Å; A85-S93 PolarHBondContact O-OG 2.94Å
86V92.8Very high92.8Very high3 Ų352.2 Ų52.22%0.01827%0.271CS..EExtended strand (participates in β ladder)trans-126.8119.7-178.9-174.80000109V41 N42 Y44 F54 R91 Q92V41-V86 CarbonylContact C-O 3.57Å; V41-V86 WeakPolarHBondContact CA-O 3.38Å; N42-V86 PolarHBondContact N-O 2.86Å; N42-V86 PolarHBondContact O-N 2.97Å; Y44-V86 HydrophobicContact CD2-CB 4.28Å; Y44-V86 HydrophobicContact CD2-CG2 3.73Å; Y44-V86 HydrophobicContact CE2-CB 4.03Å; Y44-V86 HydrophobicContact CE2-CG2 3.91Å; F54-V86 HydrophobicContact CB-CG2 4.02Å; F54-V86 HydrophobicContact CD1-CG2 4.19Å; F54-V86 HydrophobicContact CD2-CB 4.45Å; F54-V86 HydrophobicContact CD2-CG1 3.79Å; F54-V86 HydrophobicContact CD2-CG2 3.99Å; F54-V86 HydrophobicContact CE2-CG1 3.78Å; F54-V86 HydrophobicContact CG-CG1 4.43Å; F54-V86 HydrophobicContact CG-CG2 3.79Å; F54-V86 HydrophobicContact CZ-CG1 4.48Å; V86-R91 WeakPolarHBondContact CA-O 3.27Å; V86-Q92 HydrophobicContact CG2-CG 4.13Å
87S91.9Very high93Very high11 Ų1151.7 Ų51.78%0.07727%0.271CS..EExtended strand (participates in β ladder)trans-75167.6176.672.50000112.1D89 C90 R91S87-D89 PolarHBondContact O-N 2.81Å; S87-D89 PolarHBondContact OG-N 2.91Å; S87-C90 PolarHBondContact O-N 2.99Å; S87-R91 PolarHBondContact N-O 3.19Å; S87-R91 PolarHBondContact OG-N 2.85Å
88K88.6Confident93.2Very high130 Ų13054.8 Ų54.857%0.56527%0.274SS*.THydrogen-bonded Turntrans-55.5-32.6171.3-70.2172.7175.8168.20112.8D40 C90D40-K88 HydrophobicContact CB-CD 4.11Å; D40-K88 WeakPolarHBondContact OD1-CE 3.3Å; D40-K88 IonicContact OD1-NZ 3.72Å; D40-K88 PolarHBondContact OD1-NZ 2.95Å; K88-C90 PolarHBondContact O-N 2.86Å
89D87.6Confident93.2Very high125 Ų12550.8 Ų50.867%0.66826%0.261SS*.THydrogen-bonded Turntrans-79.49.1177-47.4-51.2000113.7S87 R91S87-D89 PolarHBondContact O-N 2.81Å; S87-D89 PolarHBondContact OG-N 2.91Å; D89-R91 HydrophobicContact CB-CG 4.39Å; D89-R91 PolarHBondContact O-N 2.63Å; D89-R91 VanDerWaalsContact O-N 3.14Å
90C85.1Confident93.2Very high35 Ų3550 Ų5024%0.23626%0.257CS..  trans64.418.3178.3-480000114.3S87 K88 F162 C163S87-C90 PolarHBondContact O-N 2.99Å; K88-C90 PolarHBondContact O-N 2.86Å; C90-F162 PolarHBondContact SG-O 3Å; C90-C163 VanDerWaalsContact CA-SG 3.53Å; C90-C163 HydrophobicContact CB-CB 3.7Å; C90-C163 WeakPolarHBondContact CB-SG 3.44Å; C90-C163 WeakPolarHBondContact SG-CA 3.47Å; C90-C163 WeakPolarHBondContact SG-CB 3.47Å; C90-C163 PolarHBondContact SG-N 3.11Å; C90-C163 CovalentContact SG-SG 2.03Å; C90-C163 PolarHBondContact SG-SG 3.11Å
91R89.6Confident93.1Very high137 Ų13749.9 Ų49.952%0.51726%0.256SS..  trans-76.3141168.1-61-176.9-179-171.32.2108.7G4 V6 V86 S87 D89G4-R91 PolarHBondContact O-NH1 3.21Å; V6-R91 HydrophobicContact CG2-CB 3.7Å; V86-R91 WeakPolarHBondContact CA-O 3.27Å; S87-R91 PolarHBondContact N-O 3.19Å; S87-R91 PolarHBondContact OG-N 2.85Å; D89-R91 HydrophobicContact CB-CG 4.39Å; D89-R91 PolarHBondContact O-N 2.63Å; D89-R91 VanDerWaalsContact O-N 3.14Å
92Q91.5Very high93Very high99 Ų9950.2 Ų50.246%0.46326%0.258SS..BIsolated β-bridgetrans-109.9143.1-178.8-75.9162.971.700109.8F54 I84 A85 V86F54-Q92 HydrophobicContact CD1-CG 4.21Å; F54-Q92 HydrophobicContact CE1-CG 3.67Å; F54-Q92 HydrophobicContact CZ-CG 3.94Å; F54-Q92 VanDerWaalsContact CZ-NE2 3.25Å; I84-Q92 HydrophobicContact CD1-CB 3.9Å; I84-Q92 HydrophobicContact CD1-CG 3.96Å; I84-Q92 HydrophobicContact CG1-CB 4.44Å; A85-Q92 WeakPolarHBondContact O-CA 2.76Å; V86-Q92 HydrophobicContact CG2-CG 4.13Å
93S94.3Very high92.7Very high11 Ų1151.9 Ų51.98%0.07727%0.269CS..PPolyproline II helixtrans-73.8173.316372.70000111.2V6 C7 P9 A85V6-S93 WeakPolarHBondContact O-CB 3.42Å; C7-S93 WeakPolarHBondContact O-CB 3.27Å; P9-S93 WeakPolarHBondContact CD-OG 3.18Å; A85-S93 PolarHBondContact N-OG 3.05Å; A85-S93 PolarHBondContact O-N 3.17Å; A85-S93 PolarHBondContact O-OG 2.94Å
94G93.8Very high92.4Very high44 Ų4457 Ų5745%0.45429%0.289SS..PPolyproline II helixtrans-60.3161.1158.100000112
95I95Very high91.6Very high66 Ų6661 Ų6134%0.33831%0.308SS..PPolyproline II helixtrans-86.5122.7174.5-64.1162.8000108.6K51 P52 K82 A83 I84K51-I95 HydrophobicContact CD-CD1 4.17Å; K51-I95 HydrophobicContact CG-CD1 3.73Å; P52-I95 HydrophobicContact CG-CG1 4.3Å; P52-I95 HydrophobicContact CG-CG2 4.33Å; K82-I95 HydrophobicContact CB-CG2 4.04Å; K82-I95 HydrophobicContact CD-CG2 4.36Å; K82-I95 HydrophobicContact CG-CG2 4.47Å; A83-I95 WeakPolarHBondContact O-CA 2.94Å; I84-I95 HydrophobicContact CB-CG1 4.36Å; I84-I95 HydrophobicContact CD1-CG1 4.12Å; I84-I95 HydrophobicContact CG1-CG1 4.46Å
96V95.9Very high90.6Very high25 Ų2564.7 Ų64.715%0.15233%0.332CS..EExtended strand (participates in β ladder)trans-86.2141.5168.371.50000109P9 I11 K82 A83 K98P9-V96 HydrophobicContact CG-CG1 3.82Å; P9-V96 WeakPolarHBondContact O-CG1 3.11Å; I11-V96 HydrophobicContact CD1-CG1 3.63Å; I11-V96 HydrophobicContact CG1-CG1 4.06Å; K82-V96 CarbonylContact C-O 3.51Å; K82-V96 VanDerWaalsContact CA-O 3.25Å; K82-V96 WeakPolarHBondContact CA-O 3.41Å; A83-V96 HydrophobicContact CB-CG1 3.82Å; A83-V96 PolarHBondContact N-O 2.78Å; A83-V96 PolarHBondContact O-N 2.86Å; V96-K98 HydrophobicContact CG2-CG 4.47Å
97T96.3Very high89.6Confident67 Ų6769.3 Ų69.341%0.41136%0.362SS..EExtended strand (participates in β ladder)trans-123.5128.7172.4-56.10000108.7V81 K82V81-T97 WeakPolarHBondContact O-CA 3.27Å; K82-T97 HydrophobicContact CD-CG2 4.44Å; K82-T97 WeakPolarHBondContact CE-OG1 3.21Å; K82-T97 HydrophobicContact CG-CG2 3.91Å
98K94.8Very high88Confident102 Ų10275.5 Ų75.544%0.44339%0.394SS..EExtended strand (participates in β ladder)trans-131.7134.1172.8-68.7-65.1-176.3176.30109.4I11 V81 V96 F100I11-K98 HydrophobicContact CB-CG 4.15Å; I11-K98 HydrophobicContact CD1-CB 4.06Å; I11-K98 HydrophobicContact CD1-CG 3.95Å; V81-K98 PolarHBondContact N-O 2.94Å; V81-K98 PolarHBondContact O-N 2.85Å; V96-K98 HydrophobicContact CG2-CG 4.47Å; K98-F100 HydrophobicContact CB-CD2 4.49Å; K98-F100 HydrophobicContact CB-CE2 3.71Å; K98-F100 HydrophobicContact CB-CZ 4.01Å
99V95Very high86.5Confident54 Ų5476.3 Ų76.333%0.32740%0.403SS..EExtended strand (participates in β ladder)trans-104.8131.1177.6-173.90000107.5H24 K78 I79 Q80H24-V99 WeakPolarHBondContact CB-O 3.41Å; K78-V99 HydrophobicContact CG-CG1 3.98Å; I79-V99 WeakPolarHBondContact O-CA 3.26Å; Q80-V99 HydrophobicContact CG-CG1 4.35Å; Q80-V99 HydrophobicContact CG-CG2 4.07Å
100F93.8Very high84.7Confident7 Ų776.1 Ų76.13%0.03141%0.406CS..EExtended strand (participates in β ladder)trans-118.4138.3176.3-65.3-79.1000110.2I11 P13 H24 I26 L32 L74 K78 I79 V81 K98 V102I11-F100 HydrophobicContact CG2-CE2 3.82Å; I11-F100 HydrophobicContact CG2-CZ 3.83Å; P13-F100 HydrophobicContact CG-CE1 3.73Å; P13-F100 HydrophobicContact CG-CZ 4.34Å; H24-F100 CarbonylContact O-C 3.43Å; H24-F100 VanDerWaalsContact O-CA 3.26Å; H24-F100 WeakPolarHBondContact O-CA 3.29Å; I26-F100 HydrophobicContact CD1-CB 3.97Å; I26-F100 HydrophobicContact CD1-CD1 3.88Å; I26-F100 HydrophobicContact CD1-CG 3.99Å; I26-F100 HydrophobicContact CG1-CB 4.18Å; I26-F100 HydrophobicContact CG1-CD1 4.22Å; I26-F100 HydrophobicContact CG2-CD1 4.11Å; L32-F100 HydrophobicContact CD1-CE1 4.29Å; L32-F100 HydrophobicContact CD1-CE2 4.11Å; L32-F100 HydrophobicContact CD1-CZ 3.75Å; L32-F100 HydrophobicContact CD2-CE2 4.13Å; L74-F100 HydrophobicContact CD1-CB 3.67Å; L74-F100 HydrophobicContact CD1-CD2 3.36Å; L74-F100 HydrophobicContact CD1-CE2 4.13Å; L74-F100 HydrophobicContact CD1-CG 3.6Å; K78-F100 WeakPolarHBondContact CA-O 3.45Å; I79-F100 PolarHBondContact N-O 2.79Å; I79-F100 PolarHBondContact O-N 3.15Å; V81-F100 HydrophobicContact CB-CD2 4.47Å; V81-F100 HydrophobicContact CB-CE2 4.3Å; V81-F100 HydrophobicContact CG2-CD2 3.8Å; V81-F100 HydrophobicContact CG2-CE2 3.97Å; K98-F100 HydrophobicContact CB-CD2 4.49Å; K98-F100 HydrophobicContact CB-CE2 3.71Å; K98-F100 HydrophobicContact CB-CZ 4.01Å; F100-V102 HydrophobicContact CB-CG2 4.3Å
101H93.7Very high83.1Confident78 Ų7877.5 Ų77.536%0.36142%0.416SS..EExtended strand (participates in β ladder)trans-98.8112166.6-75.8-92.6000106.9H24 E25 I26H24-H101 AromaticContact CD2-CD2 3.9Å; H24-H101 PolarHBondContact O-N 2.9Å; E25-H101 WeakPolarHBondContact CA-O 3.26Å; E25-H101 HydrophobicContact CG-CB 4.32Å; I26-H101 PolarHBondContact N-O 3.2Å
102V92.7Very high81.3Confident8 Ų877.1 Ų77.15%0.04843%0.431CS..EExtended strand (participates in β ladder)trans-103.4109.4-173.9-170.70000109.7I26 N28 L74 P75 G77 I79 F100I26-V102 HydrophobicContact CD1-CG2 4.1Å; I26-V102 HydrophobicContact CG1-CG2 3.97Å; I26-V102 CarbonylContact O-C 3.52Å; I26-V102 WeakPolarHBondContact O-CA 3.32Å; N28-V102 HydrophobicContact CB-CG1 4.09Å; L74-V102 HydrophobicContact CB-CG2 3.61Å; L74-V102 HydrophobicContact CD1-CG2 4.46Å; P75-V102 VanDerWaalsContact O-CB 3.23Å; P75-V102 WeakPolarHBondContact O-CB 3.42Å; P75-V102 WeakPolarHBondContact O-CG1 3.42Å; P75-V102 VanDerWaalsContact O-CG2 3.3Å; P75-V102 WeakPolarHBondContact O-CG2 3.3Å; G77-V102 PolarHBondContact N-O 3.35Å; G77-V102 WeakPolarHBondContact O-CB 3.48Å; G77-V102 PolarHBondContact O-N 2.93Å; I79-V102 HydrophobicContact CG1-CG2 4.13Å; F100-V102 HydrophobicContact CB-CG2 4.3Å
103D89.8Confident79.5Confident84 Ų8479.7 Ų79.745%0.44944%0.444SS..EExtended strand (participates in β ladder)trans-77137.3174.3-68.9-40000110.2I26 N28 E105I26-D103 PolarHBondContact O-N 2.84Å; N28-D103 PolarHBondContact N-O 2.88Å; D103-E105 PolarHBondContact O-N 2.78Å
104Y87.4Confident77.4Confident109 Ų10986.8 Ų86.843%0.42748%0.481SS..  trans-79.7107.5175.2178.2-101.6000109.4N28 D76 P106N28-Y104 WeakPolarHBondContact ND2-CD2 3.36Å; D76-Y104 HydrophobicContact CB-CD2 4.49Å; Y104-P106 HydrophobicContact CE1-CB 4.22Å
105E79.1Confident75.2Confident85 Ų8591.2 Ų91.240%0.39749%0.494SS..PPolyproline II helixtrans-99.1121.1169.2-166.4177.6172.700109D27 N28 D103D27-E105 HydrophobicContact CB-CB 4.45Å; N28-E105 PolarHBondContact ND2-O 2.88Å; N28-E105 PolarHBondContact OD1-O 2.88Å; D103-E105 PolarHBondContact O-N 2.78Å
106P75.1Confident72.9Confident79 Ų7994.1 Ų94.151%0.51351%0.514SS..PPolyproline II helixtrans-66.7141.9173.926.8-31.2000109.6Y104 N108Y104-P106 HydrophobicContact CE1-CB 4.22Å; P106-N108 PolarHBondContact O-N 3.12Å; P106-N108 VanDerWaalsContact O-N 3.11Å
107P70.6Confident70.8Confident99 Ų99101 Ų10164%0.64355%0.545SS*.PPolyproline II helixtrans-58.412217523.7-31.2000108.8I109P107-I109 PolarHBondContact O-N 2.73Å
108N59.5Low68.4Low142 Ų142105.1 Ų105.176%0.75956%0.564SS**  trans-67.4102.5-179.6-160.2-18.4000108.7P106 V110P106-N108 PolarHBondContact O-N 3.12Å; P106-N108 VanDerWaalsContact O-N 3.11Å; N108-V110 PolarHBondContact O-N 3.05Å; N108-V110 VanDerWaalsContact O-N 3.09Å
109I55.2Low66Low146 Ų146104.8 Ų104.875%0.74957%0.571SS**  trans-7398.1169.2-57.3169.7000105P107 S111P107-I109 PolarHBondContact O-N 2.73Å; I109-S111 VanDerWaalsContact C-N 3.28Å; I109-S111 PolarHBondContact O-N 2.88Å
110V50.5Low63.7Low122 Ų122108.7 Ų108.774%0.73959%0.589SS**  trans-63.998.5164.7-177.60000106.2N108 P112N108-V110 PolarHBondContact O-N 3.05Å; N108-V110 VanDerWaalsContact O-N 3.09Å; V110-P112 WeakPolarHBondContact O-CD 3.44Å
111S50.7Low61.1Low63 Ų63117.5 Ų117.544%0.44163%0.628SS.*  trans-62.7121.1166.2-172.50000107.5I109 E113I109-S111 VanDerWaalsContact C-N 3.28Å; I109-S111 PolarHBondContact O-N 2.88Å; S111-E113 VanDerWaalsContact C-N 3.3Å; S111-E113 WeakPolarHBondContact CB-OE1 3.23Å; S111-E113 PolarHBondContact O-N 2.89Å; S111-E113 VanDerWaalsContact O-N 3.11Å; S111-E113 PolarHBondContact OG-OE1 2.8Å
112P52.1Low58.3Low129 Ų129120.6 Ų120.684%0.83865%0.647SS**  trans-81.583.5170.832.7-28.7000107.8V110V110-P112 WeakPolarHBondContact O-CD 3.44Å
113E53.3Low55.8Low154 Ų154125.1 Ų125.172%0.7268%0.678SS**  trans-121.890167.949.3-165.2120.500109.9S111S111-E113 VanDerWaalsContact C-N 3.3Å; S111-E113 WeakPolarHBondContact CB-OE1 3.23Å; S111-E113 PolarHBondContact O-N 2.89Å; S111-E113 VanDerWaalsContact O-N 3.11Å; S111-E113 PolarHBondContact OG-OE1 2.8Å
114D50.3Low53.2Low160 Ų160126 Ų12686%0.85669%0.691SS**  trans-165.1113.4140-134.3-69.1000108.9
115N47.7Very low50.9Low137 Ų137130.8 Ų130.873%0.73371%0.709SS**  166.5107.2129-155.7-4.2000112.5
116V47.3Very low48.8Very low126 Ų126133.5 Ų133.576%0.76472%0.721SS**  trans62.8115.6150.6-640000123.6
117E51.6Low46.7Very low169 Ų169135.8 Ų135.879%0.7973%0.725SS**  trans-19.3125140.8-172.3117.2-138.900116.4
118N45.4Very low44.8Very low154 Ų154140.9 Ų140.982%0.82474%0.737SS**  trans-149.6104.3135.6-15111.4000111.1
119V45.2Very low43.7Very low96 Ų96141.8 Ų141.858%0.58274%0.735SS**  trans-58.8162157.7166.70000109.8
120L46.8Very low42.6Very low136 Ų136142.8 Ų142.871%0.71274%0.742SS**  trans102.1120.8177.8-53177.8000111.9
121K39Very low41.7Very low192 Ų192140.5 Ų140.584%0.83574%0.743SS**  cis-165.4153.723.2-121.2164-178.8-179.70111.4
122D36Very low40.7Very low143 Ų143147 Ų14777%0.76576%0.763SS**  trans-62.4149-174.9-144.6-91.7000115.9
123S39.9Very low39.8Very low102 Ų102146.1 Ų146.171%0.71376%0.756SS**  trans19.7131.5150.1-50.40000121.8
124S34.5Very low39Very low103 Ų103142.3 Ų142.372%0.7276%0.758SS**  trans-176.6107.4130.5167.10000115.3
125R39.5Very low38.5Very low209 Ų209140.1 Ų140.179%0.78976%0.755SS**  69.1120.8129.8-54.9176.397157.67.5123.6
126Q34.2Very low38.3Very low143 Ų143143.6 Ų143.667%0.66876%0.763SS**  trans81.3123.7131.4-82.7-177.6-83.500123.6
127E32.3Very low38.1Very low127 Ų127145.7 Ų145.759%0.59377%0.769SS**  trans53.1129.3144.9-69.3178105.700118.5
128F29.2Very low37.4Very low205 Ų205146.8 Ų146.890%0.89977%0.772SS**  -151.9155.475.4-98-94.2000113.4
129K37.5Very low37.2Very low161 Ų161147.7 Ų147.770%0.777%0.768SS**  trans-65.8172.1-179.9-65.6165.9176.91710113
130N32.4Very low36.5Very low167 Ų167151 Ų15189%0.89378%0.775SS**  trans99.8116.8168.1-44.2-6.6000111
131G31.4Very low35.9Very low74 Ų74154.1 Ų154.176%0.76378%0.778SS**  cis156.5157.310.300000105.7
132F29.6Very low35.7Very low199 Ų199153.3 Ų153.387%0.87378%0.775SS**  trans95.7107.1159.6-148.6-107000119.8
133V33.6Very low35.9Very low112 Ų112153.7 Ų153.768%0.67978%0.777SS**  trans63.8107.9142.3178.50000118.7
134G35.3Very low35.7Very low74 Ų74153.6 Ų153.676%0.76378%0.776SS**  trans-72.7152.9170.700000113.7
135S40.5Very low35.5Very low113 Ų113156.6 Ų156.679%0.7978%0.779SS**  trans-138.2125.3149.150.80000108.6L137S135-L137 PolarHBondContact O-N 2.87Å
136K43.3Very low35.3Very low211 Ų211152.2 Ų152.292%0.91777%0.771SS**  trans-65.8109.5-179-68-173.9177.2-1780109.7K138K136-K138 PolarHBondContact O-N 3.02Å
137L42.4Very low35.4Very low170 Ų170153.4 Ų153.489%0.8978%0.777SS**  trans-90.595.3161.9-78.7169.1000109.4S135 K139S135-L137 PolarHBondContact O-N 2.87Å; L137-K139 PolarHBondContact O-N 3.38Å; L137-K139 VanDerWaalsContact O-N 3.1Å
138K36.4Very low35.8Very low192 Ų192153.7 Ų153.784%0.83577%0.772SS**  trans-55.1108.7168.6-177.1173.9-179.7173.80108.8K136 K140K136-K138 PolarHBondContact O-N 3.02Å; K138-K140 VanDerWaalsContact C-N 3.34Å; K138-K140 PolarHBondContact O-N 3.36Å
139K42.1Very low36Very low172 Ų172148.4 Ų148.475%0.74876%0.761SS**  trans-55.294.1167.1-170.7169.9-173.8164.80108.7L137 Y141L137-K139 PolarHBondContact O-N 3.38Å; L137-K139 VanDerWaalsContact O-N 3.1Å; K139-Y141 HydrophobicContact CD-CE2 4.38Å; K139-Y141 HydrophobicContact CG-CD2 4.43Å; K139-Y141 HydrophobicContact CG-CE2 4.49Å
140K31.4Very low36.8Very low167 Ų167144 Ų14473%0.72674%0.74SS**  trans-92.4101168.9-154.7-178.1-171.4-175.40106.2K138 K142K138-K140 VanDerWaalsContact C-N 3.34Å; K138-K140 PolarHBondContact O-N 3.36Å; K140-K142 VanDerWaalsContact C-N 3.26Å; K140-K142 PolarHBondContact O-N 2.65Å
141Y33.2Very low37.8Very low200 Ų200139.6 Ų139.678%0.78472%0.716SS**  trans-53.899157.2-89.2-93.5000107.1K139 N143K139-Y141 HydrophobicContact CD-CE2 4.38Å; K139-Y141 HydrophobicContact CG-CD2 4.43Å; K139-Y141 HydrophobicContact CG-CE2 4.49Å; Y141-N143 PolarHBondContact O-N 3.32Å
142K34Very low38.9Very low176 Ų176136.6 Ų136.677%0.76568%0.683SS**  trans-83.199.1158.8-94.3-177.6172.71790105.1K140 S144K140-K142 VanDerWaalsContact C-N 3.26Å; K140-K142 PolarHBondContact O-N 2.65Å; K142-S144 PolarHBondContact O-N 2.92Å
143N40.5Very low40.1Very low151 Ų151128.8 Ų128.881%0.80765%0.651SS**  trans-53.8102.1150.6-177.8-1.8000105.7Y141 E145Y141-N143 PolarHBondContact O-N 3.32Å; N143-E145 VanDerWaalsContact C-N 3.26Å; N143-E145 PolarHBondContact O-N 3.41Å
144S35.3Very low41Very low99 Ų99129.6 Ų129.669%0.69265%0.65SS**  trans-65.495.5171.448.60000106.3K142 N146K142-S144 PolarHBondContact O-N 2.92Å; S144-N146 PolarHBondContact O-N 3.3Å
145E31.4Very low41.7Very low167 Ų167134.7 Ų134.778%0.7865%0.646SS**  trans-40.2113.1158.6-175.1166.4-139.200107.2N143 Q147N143-E145 VanDerWaalsContact C-N 3.26Å; N143-E145 PolarHBondContact O-N 3.41Å; E145-Q147 PolarHBondContact O-N 3.06Å
146N35.4Very low42Very low116 Ų116135.5 Ų135.562%0.6264%0.636SS**  trans-60.486.4-178.3-157.85.4000106.4S144 R148S144-N146 PolarHBondContact O-N 3.3Å; N146-R148 PolarHBondContact O-N 2.86Å
147Q36.7Very low42.3Very low169 Ų169128.9 Ų128.979%0.7961%0.607SS**  trans-65.583.7166.9-78.6-150.4-3.200105.9E145 S149E145-Q147 PolarHBondContact O-N 3.06Å; Q147-S149 PolarHBondContact O-N 3.11Å
148R39.5Very low42.6Very low132 Ų132126.1 Ų126.150%0.49860%0.6SS.*  trans-62.682.4162.8-67.7-177.4-178-178.12.1105.3D76 N146 W150D76-R148 IonicContact OD1-NH1 3.93Å; D76-R148 PolarHBondContact OD1-NH1 3.21Å; D76-R148 IonicContact OD2-NH1 3.84Å; N146-R148 PolarHBondContact O-N 2.86Å; R148-W150 PolarHBondContact O-N 3.37Å
149S35Very low43.4Very low95 Ų95118.7 Ų118.766%0.66457%0.57SS**  trans-71.770.3175.9-167.60000107.6Q147 N151Q147-S149 PolarHBondContact O-N 3.11Å; S149-N151 PolarHBondContact O-N 3.04Å
150W53.3Low43.8Very low67 Ų67112.3 Ų112.325%0.25455%0.546SS..  trans-45.6117.6165.1167.2-107.8000109.4L47 T73 L74 P75 R148 V152L47-W150 HydrophobicContact CD1-CH2 4.4Å; L47-W150 HydrophobicContact CD1-CZ2 3.48Å; L47-W150 VanDerWaalsContact CD1-CZ2 3.48Å; T73-W150 WeakPolarHBondContact O-CH2 3.4Å; T73-W150 WeakPolarHBondContact O-CZ3 3.43Å; T73-W150 VanDerWaalsContact OG1-CE3 3.23Å; T73-W150 WeakPolarHBondContact OG1-CZ3 3.28Å; L74-W150 HydrophobicContact CB-CH2 4.26Å; L74-W150 HydrophobicContact CD2-CH2 3.88Å; L74-W150 HydrophobicContact CD2-CZ2 4.43Å; L74-W150 HydrophobicContact CG-CH2 4.44Å; L74-W150 VanDerWaalsContact N-CH2 3.27Å; L74-W150 WeakPolarHBondContact O-CZ3 3.05Å; P75-W150 HydrophobicContact CB-CE3 4.49Å; P75-W150 VanDerWaalsContact CD-CZ3 3.45Å; R148-W150 PolarHBondContact O-N 3.37Å; W150-V152 VanDerWaalsContact CD1-CB 3.46Å; W150-V152 HydrophobicContact CD2-CG2 4.31Å; W150-V152 HydrophobicContact CH2-CG2 4.41Å; W150-V152 HydrophobicContact CZ2-CB 4.4Å; W150-V152 HydrophobicContact CZ2-CG2 3.25Å; W150-V152 PolarHBondContact O-N 3.18Å
151N53.7Low44.9Very low76 Ų76115.1 Ų115.141%0.40655%0.552SS.*  trans-76.233.7-172.5-108.5-88000113.3K70 S149 N153K70-N151 PolarHBondContact NZ-OD1 3.39Å; S149-N151 PolarHBondContact O-N 3.04Å; N151-N153 PolarHBondContact O-N 3.27Å
152V54.8Low45.8Very low11 Ų11114.3 Ų114.37%0.06755%0.553CS.*  trans-73.6124.2166165.50000108.5L47 F66 I72 W150 L154L47-V152 HydrophobicContact CD1-CG2 4.15Å; F66-V152 HydrophobicContact CD1-CG1 3.6Å; F66-V152 HydrophobicContact CD2-CG1 4.33Å; F66-V152 HydrophobicContact CE1-CG1 3.8Å; F66-V152 HydrophobicContact CE2-CG1 4.49Å; F66-V152 HydrophobicContact CG-CG1 3.9Å; F66-V152 HydrophobicContact CZ-CG1 4.25Å; I72-V152 HydrophobicContact CB-CG2 4.26Å; I72-V152 HydrophobicContact CD1-CG2 4.21Å; I72-V152 HydrophobicContact CG2-CG2 4.21Å; W150-V152 VanDerWaalsContact CD1-CB 3.46Å; W150-V152 HydrophobicContact CD2-CG2 4.31Å; W150-V152 HydrophobicContact CH2-CG2 4.41Å; W150-V152 HydrophobicContact CZ2-CB 4.4Å; W150-V152 HydrophobicContact CZ2-CG2 3.25Å; W150-V152 PolarHBondContact O-N 3.18Å; V152-L154 HydrophobicContact CB-CD1 4.15Å; V152-L154 HydrophobicContact CG1-CD1 3.86Å; V152-L154 PolarHBondContact O-N 3.2Å
153N54.4Low46.7Very low35 Ų35106.5 Ų106.519%0.18752%0.52CS..  trans-67.485.4172.1-160.9-24.5000108.2I69 N151 R155I69-N153 WeakPolarHBondContact CD1-ND2 3.48Å; N151-N153 PolarHBondContact O-N 3.27Å; N153-R155 PolarHBondContact O-N 2.87Å; N153-R155 WeakPolarHBondContact OD1-CB 3.47Å; N153-R155 WeakPolarHBondContact OD1-CD 3.36Å; N153-R155 VanDerWaalsContact OD1-CG 3.27Å; N153-R155 WeakPolarHBondContact OD1-CG 3.26Å
154L51.9Low47.4Very low128 Ų128103.7 Ų103.767%0.6751%0.509SS*.  trans-68.117.8-179-111.894000113.4F66 V152 K156F66-L154 HydrophobicContact CE1-CD1 4.43Å; F66-L154 HydrophobicContact CE1-CG 4.18Å; V152-L154 HydrophobicContact CB-CD1 4.15Å; V152-L154 HydrophobicContact CG1-CD1 3.86Å; V152-L154 PolarHBondContact O-N 3.2Å; L154-K156 PolarHBondContact O-N 3.13Å
155R50Low48Very low181 Ų181109.6 Ų109.668%0.68352%0.516SS*.  trans-73.5107.4178.3-70.6-175.2-176-1532.1108.7N153 F157N153-R155 PolarHBondContact O-N 2.87Å; N153-R155 WeakPolarHBondContact OD1-CB 3.47Å; N153-R155 WeakPolarHBondContact OD1-CD 3.36Å; N153-R155 VanDerWaalsContact OD1-CG 3.27Å; N153-R155 WeakPolarHBondContact OD1-CG 3.26Å; R155-F157 VanDerWaalsContact C-N 3.3Å; R155-F157 HydrophobicContact CB-CD2 4.21Å; R155-F157 HydrophobicContact CB-CE1 4.31Å; R155-F157 HydrophobicContact CB-CE2 3.53Å; R155-F157 HydrophobicContact CB-CZ 3.58Å; R155-F157 WeakPolarHBondContact O-CD2 3.41Å; R155-F157 VanDerWaalsContact O-CE2 3.27Å; R155-F157 WeakPolarHBondContact O-CE2 3.42Å; R155-F157 PolarHBondContact O-N 2.97Å
156K47.6Very low48.4Very low131 Ų131111.1 Ų111.157%0.5752%0.52SS*.  trans-65.388.7172.2-161.6161.9-174.8172.60107.9K56 E62 L154K56-K156 VanDerWaalsContact NZ-CG 3.33Å; E62-K156 IonicContact OE1-NZ 2.68Å; E62-K156 PolarHBondContact OE1-NZ 2.74Å; L154-K156 PolarHBondContact O-N 3.13Å
157F48.8Very low48.7Very low72 Ų72115.6 Ų115.632%0.31653%0.528SS..PPolyproline II helixtrans-71.5138.9180-69.8-80000110.7K56 K67 I69 R155K56-F157 PolarHBondContact NZ-O 3.09Å; K67-F157 HydrophobicContact CB-CD2 3.81Å; K67-F157 HydrophobicContact CB-CE2 4.3Å; K67-F157 HydrophobicContact CD-CD2 4.13Å; K67-F157 HydrophobicContact CD-CG 4.37Å; I69-F157 HydrophobicContact CD1-CD2 4.47Å; I69-F157 HydrophobicContact CD1-CE1 4.45Å; I69-F157 HydrophobicContact CD1-CE2 3.36Å; I69-F157 HydrophobicContact CD1-CZ 3.35Å; R155-F157 VanDerWaalsContact C-N 3.3Å; R155-F157 HydrophobicContact CB-CD2 4.21Å; R155-F157 HydrophobicContact CB-CE1 4.31Å; R155-F157 HydrophobicContact CB-CE2 3.53Å; R155-F157 HydrophobicContact CB-CZ 3.58Å; R155-F157 WeakPolarHBondContact O-CD2 3.41Å; R155-F157 VanDerWaalsContact O-CE2 3.27Å; R155-F157 WeakPolarHBondContact O-CE2 3.42Å; R155-F157 PolarHBondContact O-N 2.97Å
158P50.2Low48.8Very low112 Ų112112.1 Ų112.173%0.72752%0.523SS*.PPolyproline II helixtrans-64.8146.9164.926.8-30.5000109.3
159V53Low48.9Very low36 Ų36113.1 Ų113.122%0.21853%0.533CS..PPolyproline II helixtrans-54.6135.8178.5-176.10000108.7L55 K56 R161L55-V159 HydrophobicContact CD2-CG1 3.72Å; K56-V159 HydrophobicContact CB-CG2 3.87Å; K56-V159 HydrophobicContact CD-CG2 4.38Å; K56-V159 HydrophobicContact CG-CG2 4.12Å; V159-R161 PolarHBondContact O-N 3.22Å; V159-R161 VanDerWaalsContact O-N 3.14Å
160P50.9Low49.1Very low37 Ų37113.9 Ų113.924%0.2453%0.533CS..PPolyproline II helixtrans-52.9123.8171.3-23.532.8000109.6Y44 F162 C163Y44-P160 WeakPolarHBondContact OH-CG 3.45Å; P160-F162 PolarHBondContact O-N 2.76Å; P160-C163 PolarHBondContact O-N 2.72Å
161R53.7Low48.2Very low226 Ų226118.7 Ų118.785%0.85356%0.557SS**THydrogen-bonded Turntrans-56.2-15.5-177.1-58.8-167.7-149.2157.74.9113.7V159 T164V159-R161 PolarHBondContact O-N 3.22Å; V159-R161 VanDerWaalsContact O-N 3.14Å; R161-T164 PolarHBondContact O-OG1 2.65Å; R161-T164 VanDerWaalsContact O-OG1 3.09Å
162F51Low47.6Very low183 Ų183121.2 Ų121.280%0.80357%0.57SS**THydrogen-bonded Turntrans-75.6-24.8179.6-65.4-78.3000113.7C90 P160C90-F162 PolarHBondContact SG-O 3Å; P160-F162 PolarHBondContact O-N 2.76Å
163C54.1Low47Very low12 Ų12129.9 Ų129.98%0.08161%0.607CS.*SBendtrans-102.92.2-175.7-55.90000114.9F54 L55 C90 P160 R165F54-C163 HydrophobicContact CE2-CB 4.12Å; L55-C163 HydrophobicContact CD2-CB 3.78Å; C90-C163 VanDerWaalsContact CA-SG 3.53Å; C90-C163 HydrophobicContact CB-CB 3.7Å; C90-C163 WeakPolarHBondContact CB-SG 3.44Å; C90-C163 WeakPolarHBondContact SG-CA 3.47Å; C90-C163 WeakPolarHBondContact SG-CB 3.47Å; C90-C163 PolarHBondContact SG-N 3.11Å; C90-C163 CovalentContact SG-SG 2.03Å; C90-C163 PolarHBondContact SG-SG 3.11Å; P160-C163 PolarHBondContact O-N 2.72Å; C163-R165 PolarHBondContact O-N 3.06Å
164T54.4Low46.5Very low93 Ų93137.5 Ų137.557%0.57164%0.641SS**  trans-67.392.1164.455.50000106.9R161 K166R161-T164 PolarHBondContact O-OG1 2.65Å; R161-T164 VanDerWaalsContact O-OG1 3.09Å; T164-K166 PolarHBondContact O-N 3.26Å
165R49Very low45.7Very low222 Ų222133.9 Ų133.984%0.83864%0.635SS**  trans-43.9115.1162.3174.9177.4-92.3-169.9-7.3105.6C163 R167C163-R165 PolarHBondContact O-N 3.06Å; R165-R167 PolarHBondContact O-N 3.31Å
166K40.1Very low45Very low199 Ų199133.5 Ų133.587%0.86565%0.646SS**  trans-53.595.9151.4-84.7-173.2179.6178.80103.5T164 S168T164-K166 PolarHBondContact O-N 3.26Å; K166-S168 PolarHBondContact O-N 2.94Å
167R40Very low44.5Very low210 Ų210133.3 Ų133.379%0.79265%0.651SS**  trans-6793.9158.3-167.2169.5-152.7-172.31.9101.3R165 E169R165-R167 PolarHBondContact O-N 3.31Å; R167-E169 PolarHBondContact O-N 3.06Å
168S40.2Very low44.1Very low97 Ų97137.4 Ų137.468%0.67867%0.671SS**  trans-55.993.5155.639.90000104.3K166 V170K166-S168 PolarHBondContact O-N 2.94Å; S168-V170 PolarHBondContact O-N 2.68Å
169E41Very low43.3Very low152 Ų152138.1 Ų138.171%0.7167%0.669SS**  trans-56.788.2147.4-67.4-178.7149.500104.3R167 F171R167-E169 PolarHBondContact O-N 3.06Å; E169-F171 PolarHBondContact O-N 2.73Å
170V38.8Very low42.6Very low111 Ų111142.2 Ų142.267%0.67370%0.699SS**  trans-67.785.7147.5177.40000102.8S168 D172S168-V170 PolarHBondContact O-N 2.68Å; V170-D172 VanDerWaalsContact C-N 3.27Å; V170-D172 PolarHBondContact O-N 2.72Å; V170-D172 VanDerWaalsContact O-N 3.11Å
171F35.7Very low42.2Very low169 Ų169150.1 Ų150.174%0.74173%0.73SS**  trans-65.4101161.2-136.4-92.1000103.3E169 K173E169-F171 PolarHBondContact O-N 2.73Å; F171-K173 VanDerWaalsContact C-N 3.26Å; F171-K173 PolarHBondContact O-N 2.95Å
172D41.1Very low41.2Very low129 Ų129142.4 Ų142.469%0.6972%0.721SS**  trans-54.3102.1161.9-80.2-62.5000106V170 H174V170-D172 VanDerWaalsContact C-N 3.27Å; V170-D172 PolarHBondContact O-N 2.72Å; V170-D172 VanDerWaalsContact O-N 3.11Å; D172-H174 VanDerWaalsContact C-N 3.27Å; D172-H174 PolarHBondContact O-N 2.96Å
173K40.2Very low40.4Very low192 Ų192141 Ų14184%0.83572%0.722SS**  trans-66.994.4169.8-77.4-169.2174.9-173.20106.4F171 G175F171-K173 VanDerWaalsContact C-N 3.26Å; F171-K173 PolarHBondContact O-N 2.95Å; K173-G175 PolarHBondContact O-N 2.92Å
174H45.2Very low39.8Very low196 Ų196151.4 Ų151.491%0.90776%0.76SS**  trans-81102.2154.7-87.6-47.3000108.9D172D172-H174 VanDerWaalsContact C-N 3.27Å; D172-H174 PolarHBondContact O-N 2.96Å
175G34.2Very low38.9Very low52 Ų52154.7 Ų154.754%0.53677%0.773SS.*  trans-165.8123158.800000103.8K173K173-G175 PolarHBondContact O-N 2.92Å
176D35.5Very low38.4Very low173 Ų173148.5 Ų148.593%0.92576%0.763SS**  cis-151.4171.245.2-68.3-51.6000114.1
177N37.4Very low38.4Very low127 Ų127147.7 Ų147.768%0.67976%0.763SS**  trans-75.1156.6-169.6-176.137.6000115.4
178E39.6Very low38.1Very low157 Ų157143.7 Ų143.773%0.73476%0.761SS**  trans69107.6149.7-91.9171151.400124
179N34.2Very low37.8Very low128 Ų128145 Ų14568%0.68477%0.769SS**  63.9113.7120.6-161.727.4000120
180S38.2Very low37.7Very low122 Ų122143.3 Ų143.385%0.85377%0.771SS**  trans-155122.3145.8-68.70000110.3
181K42Very low37.8Very low202 Ų202145 Ų14588%0.87878%0.775SS**  trans-55.6148.6170.7-66.1167.4174.61730111.3
182G32.5Very low38.2Very low65 Ų65143 Ų14367%0.6778%0.779SS**  trans172.288.3167.900000114.2
183D35Very low38Very low154 Ų154142 Ų14282%0.82478%0.782SS**  trans46.2124.8138.6-59.3-54.4000123.4
184R41.8Very low38.5Very low230 Ų230138.6 Ų138.687%0.86878%0.779SS**  trans8.7126.4137.5-75.6177.8169.6-160.1-2.4116.8
185L36.2Very low38.7Very low162 Ų162135.2 Ų135.285%0.84877%0.774SS**  -172.8132.7106.9-98.5149.9000112
186S37.7Very low39.1Very low91 Ų91137 Ų13764%0.63678%0.784SS**  trans-51.8144.7165.948.10000114.3
187Q39.8Very low39.3Very low183 Ų183136.4 Ų136.486%0.85578%0.779SS**  trans-173101.1137.3-102.6162.741.600108.7
188V33.9Very low39.5Very low125 Ų125141.7 Ų141.776%0.75879%0.79SS**  62.6107.596.5-178.10000112.7
189C33.5Very low39.4Very low126 Ų126139.2 Ų139.285%0.85179%0.79SS**  trans-128.3123.9150.1-75.50000107.4
190P40.2Very low39.7Very low115 Ų115140.2 Ų140.275%0.74779%0.794SS**  trans-81.8139.6-175.232.1-31.8000111.4
191L41Very low39.4Very low146 Ų146139.5 Ų139.576%0.76479%0.788SS**  trans-67.5165.1161.1-60.9170000109.6
192P42.8Very low39.2Very low127 Ų127135.4 Ų135.483%0.82579%0.785SS**  -140.2131.382.630.8-12.3000114.4
193C38.2Very low39.5Very low110 Ų110139.6 Ų139.674%0.74379%0.791SS**  trans-87.3149.6153.2-56.70000109.6
194P50.3Low39.6Very low120 Ų120139.8 Ų139.878%0.77979%0.791SS**  trans-117.3166.6149.218.80.5000113.1
195P48.7Very low39.4Very low124 Ų124134 Ų13481%0.80579%0.786SS**  -125-179-127.243.2-32.6000117
196A42Very low39.9Very low90 Ų90137.4 Ų137.474%0.74479%0.788SS**  trans88.8136.9154.400000116
197I40.6Very low39.7Very low160 Ų160141 Ų14182%0.82180%0.797SS**  cis-148.1111.729.7-65.7164.8000107
198R41.6Very low39.6Very low239 Ų239143.5 Ų143.590%0.90280%0.798SS**  58132.794.2-86.3-170.2162.2-161.8-4.6117.9
199S37.5Very low40Very low105 Ų105145.1 Ų145.173%0.73480%0.802SS**  trans105.8125.1148.2-153.10000115.4
200L40Very low40.1Very low148 Ų148144.6 Ų144.678%0.77580%0.8SS**  cis-164.2133.71.7-116.8166.4000109
201C32.2Very low40Very low107 Ų107144.6 Ų144.672%0.72380%0.801SS**  trans48109.6147.1-75.40000123.5
202S38.7Very low40.5Very low116 Ų116142.7 Ų142.781%0.81180%0.797SS**  trans-63.4138.5134.8-510000112
203L37.9Very low40.7Very low154 Ų154143.7 Ų143.781%0.80680%0.801SS**  trans173.7123.7156-94.9152.4000103.2
204L37.8Very low40.7Very low157 Ų157146.5 Ų146.582%0.82280%0.804SS**  cis-145.4140.532.3-79.986.7000109.6
205S37.2Very low40.4Very low109 Ų109149 Ų14976%0.76281%0.808SS**  trans-88.7143.4153.6-78.70000109.6
206R46.4Very low39.9Very low234 Ų234153.5 Ų153.588%0.88381%0.809SS**  trans86.494.7160.1-59.3171.7-177.1-99.1-0.3118.7
207M33.9Very low39.8Very low167 Ų167156.4 Ų156.482%0.82381%0.812SS**  trans-173.9126.2142.8-117.211077.400103.5
208W36.8Very low39.5Very low234 Ų234153.5 Ų153.589%0.88681%0.805SS**  cis-162152.939.1-100.6-6.8000110.3
209L42.5Very low39.6Very low159 Ų159147.8 Ų147.883%0.83280%0.802SS**  trans-74.8166.1154.9-79.390000110.4
210S36.4Very low40.1Very low115 Ų115148.8 Ų148.880%0.80481%0.806SS**  trans86.8131.3176.3-65.50000114.3
211C38.5Very low40.4Very low116 Ų116147.4 Ų147.478%0.78480%0.804SS**  cis-164.2170.28-109.70000108.7
212P51.4Low41Very low105 Ų105148.6 Ų148.668%0.68281%0.81SS**  trans-91.3157.9-170.937.1-33.1000112.9
213T45.4Very low41.1Very low148 Ų148154.3 Ų154.391%0.90881%0.814SS**  trans174.7147.2130.727.70000112.1
214H40.1Very low41.3Very low170 Ų170158.8 Ų158.879%0.78782%0.821SS**  trans-37.4142.6173.9-90.8-127.7000115.8
215I44Very low41.3Very low171 Ų171156.8 Ų156.888%0.87782%0.819SS**  trans-148.8125.6134.8-92.2134.7000109.4
216W38.2Very low42Very low219 Ų219156.1 Ų156.183%0.8382%0.815SS**  trans-56.5150.8166.6-120.637.3000111.7
217L38.8Very low41.9Very low151 Ų151152.5 Ų152.579%0.79181%0.813SS**  trans169.9101.2135.1-106.285.6000106.9
218S35.2Very low42.3Very low99 Ų99148.2 Ų148.269%0.69281%0.812SS**  83.3107.698-66.10000113.7
219S42.5Very low42.7Very low120 Ų120145 Ų14584%0.83981%0.811SS**PPolyproline II helixtrans-57.7147.2173.2-380000113.2
220P48.4Very low42.6Very low125 Ų125143.8 Ų143.881%0.81281%0.81SS**PPolyproline II helixtrans-101.1117.7159.18.411.3000111.3
221T46.4Very low42.8Very low119 Ų119144.3 Ų144.373%0.7381%0.812SS**PPolyproline II helixtrans-63.7138.8159.4480000110.9R223T221-R223 PolarHBondContact O-N 3.4Å
222P45.3Very low42.8Very low132 Ų132149.6 Ų149.686%0.85782%0.816SS**PPolyproline II helixtrans-80118.9168.12.413.5000110.5
223R41Very low42.4Very low237 Ų237153 Ų15389%0.89483%0.825SS**PPolyproline II helixtrans-78.6125.1166-81.4-174.3-173.6-1261.2110.1T221T221-R223 PolarHBondContact O-N 3.4Å
224R40.6Very low42.3Very low248 Ų248154 Ų15494%0.93682%0.819SS**  trans-8.7117.6144.5-144.3175.2-159.7-162.33.5114.5
225S39Very low42.4Very low114 Ų114155.7 Ų155.780%0.79782%0.824SS**  trans-120.2112.1156.3-168.30000108.4
226S50.5Low42.7Very low95 Ų95155.2 Ų155.266%0.66482%0.822SS**  trans-78.4126.716243.40000107.9
227D46.1Very low42.6Very low158 Ų158147.7 Ų147.785%0.84581%0.813SS**  trans-163.8116.1139.5-90.2-36.1000109.5
228G40.6Very low42.7Very low78 Ų78147 Ų14780%0.80482%0.816SS**  trans-80.5128.1171.300000109.6
229L46.1Very low42.8Very low167 Ų167150.9 Ų150.987%0.87482%0.823SS**  trans-129.9114.9159.6-101.3156.5000108.4C231L229-C231 PolarHBondContact O-N 2.87Å
230V41.3Very low42.8Very low132 Ų132153.6 Ų153.680%0.882%0.822SS**  trans-60112.7176.7166.40000109.4R232V230-R232 PolarHBondContact O-N 2.86Å
231C39.3Very low42.5Very low127 Ų127154.8 Ų154.886%0.85882%0.816SS**  trans-74.591.5164.1-75.20000109.2L229 M233L229-C231 PolarHBondContact O-N 2.87Å; C231-M233 PolarHBondContact O-N 3.1Å; C231-M233 VanDerWaalsContact O-N 3.12Å
232R39.9Very low42.3Very low226 Ų226154.4 Ų154.485%0.85382%0.819SS**  trans-7292.6168.1-165.9177.5-171167.81.9108.4V230 Q234V230-R232 PolarHBondContact O-N 2.86Å; R232-Q234 PolarHBondContact O-N 3.4Å
233M42.4Very low42.7Very low178 Ų178156.2 Ų156.288%0.87782%0.815SS**  trans-66.9113.2169.4-97.9-76.6175.200109.4C231 K235C231-M233 PolarHBondContact O-N 3.1Å; C231-M233 VanDerWaalsContact O-N 3.12Å; M233-K235 PolarHBondContact O-N 3.19Å
234Q43.5Very low43.1Very low169 Ų169153 Ų15379%0.7982%0.815SS**  trans-71.4116.9168.4-82.2166.64.100109R232R232-Q234 PolarHBondContact O-N 3.4Å
235K41.8Very low43.5Very low205 Ų205147.8 Ų147.889%0.89182%0.815SS**  trans-94.1100170.5-168.4170.2-174.7176.60107.5M233M233-K235 PolarHBondContact O-N 3.19Å
236L49.4Very low44.1Very low160 Ų160145.9 Ų145.984%0.83881%0.813SS**  trans-88.6121.6164.2-77.9165.9000108
237G37.3Very low44Very low62 Ų62151.9 Ų151.964%0.63985%0.845SS**  trans-65.117316000000109.8
238T40.1Very low43.9Very low137 Ų137151.6 Ų151.684%0.8485%0.845SS**  cis-166141.62636.30000105.3
239H37.5Very low44.1Very low180 Ų180155.4 Ų155.483%0.83385%0.847SS**  trans-137.496.9160.6-162.1-91.6000109.5
240E42.5Very low43.9Very low176 Ų176154.8 Ų154.882%0.82285%0.846SS**  trans-68.6125.2158.3-78.3-112.294.400108.8
241H41.9Very low44.1Very low150 Ų150156.1 Ų156.169%0.69485%0.849SS**  trans-175.9106.2132.4-126170.9000109.4H243H241-H243 AromaticContact CD2-CD2 3.9Å; H241-H243 AromaticContact NE2-CD2 3.6Å; H241-H243 AromaticContact NE2-NE2 3.99Å
242S42.4Very low44.4Very low112 Ų112157.9 Ų157.978%0.78385%0.848SS**  trans-14496.4155.356.70000108L244S242-L244 PolarHBondContact O-N 3.48Å
243H52.9Low44.7Very low170 Ų170153.4 Ų153.479%0.78785%0.848SS**  trans-63122.6166.3-101.9-95.6000109.6H241H241-H243 AromaticContact CD2-CD2 3.9Å; H241-H243 AromaticContact NE2-CD2 3.6Å; H241-H243 AromaticContact NE2-NE2 3.99Å
244L51Low44.9Very low170 Ų170151.6 Ų151.689%0.8985%0.846SS**  trans-68.7130.1162-71.5157.7000109.1S242S242-L244 PolarHBondContact O-N 3.48Å
245C47.1Very low45Very low138 Ų138150.3 Ų150.393%0.93285%0.85SS**  trans-114.8115.6154.6-115.20000106.5
246G51.9Low45.2Very low74 Ų74145.8 Ų145.876%0.76385%0.846SS**  trans-83.7162.9176.800000112.9
247V48.8Very low44.9Very low220 Ų220144.5 Ų144.5100%1.33385%0.847SS**  trans-130.40147.2178.80000105.9

Retrieved 247 of 247 residues in 107.6 ms (Link to these results)

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