A0A087XAT6_POEFO Loading...

Probable RNA-binding protein EIF1AD

AlphaFold DB , UniProt , Accession A0A087XAT6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 178 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
1M64.6Low82.5Confident189 Ų18997.5 Ų97.593%0.93150%0.495SS*.  0143.40-75.1-144.2-82.700109.5T5M1-T5 HydrophobicContact SD-CG2 3.72Å
2S84.1Confident82.7Confident72 Ų72102.4 Ų102.450%0.50351%0.511SS..  trans-65.2152175173.40000111.3A4 T5 K6S2-A4 PolarHBondContact O-N 3.3Å; S2-A4 PolarHBondContact OG-N 3.34Å; S2-T5 WeakPolarHBondContact O-CB 3.02Å; S2-T5 PolarHBondContact O-N 2.52Å; S2-T5 VanDerWaalsContact O-N 3.12Å; S2-K6 PolarHBondContact O-N 3.09Å
3Q79.4Confident82.7Confident140 Ų140101.8 Ų101.865%0.65451%0.505SS*.Hα-helixtrans-55.6-38.4175.1-171-176.814.500111.6K6 R7Q3-K6 PolarHBondContact O-N 3.34Å; Q3-R7 PolarHBondContact O-N 2.99Å
4A82.5Confident82.7Confident72 Ų7294.7 Ų94.760%0.59547%0.47SS*.Hα-helixtrans-63.6-42.9177.300000112S2 K6 R7 K8S2-A4 PolarHBondContact O-N 3.3Å; S2-A4 PolarHBondContact OG-N 3.34Å; A4-K6 PolarHBondContact O-N 2.95Å; A4-R7 PolarHBondContact O-N 3.38Å; A4-K8 PolarHBondContact O-N 3.14Å; A4-K8 VanDerWaalsContact O-N 3.08Å
5T86.6Confident82.4Confident56 Ų5694.9 Ų94.934%0.34447%0.473SS..Hα-helixtrans-63.5-43176-460000110.5M1 S2 R7 K8 H9M1-T5 HydrophobicContact SD-CG2 3.72Å; S2-T5 WeakPolarHBondContact O-CB 3.02Å; S2-T5 PolarHBondContact O-N 2.52Å; S2-T5 VanDerWaalsContact O-N 3.12Å; T5-R7 PolarHBondContact O-N 3.46Å; T5-K8 PolarHBondContact O-N 3.42Å; T5-H9 PolarHBondContact O-N 3.03Å; T5-H9 PolarHBondContact O-ND1 3.18Å
6K84Confident81.5Confident109 Ų10991.8 Ų91.847%0.47447%0.472SS..Hα-helixtrans-60.7-44.3176.9-169.4177.6-177.6179.70111.7S2 Q3 A4 K8 H9 V10S2-K6 PolarHBondContact O-N 3.09Å; Q3-K6 PolarHBondContact O-N 3.34Å; A4-K6 PolarHBondContact O-N 2.95Å; K6-K8 VanDerWaalsContact C-N 3.34Å; K6-K8 PolarHBondContact O-N 3.24Å; K6-H9 PolarHBondContact O-N 3.42Å; K6-V10 WeakPolarHBondContact O-CG2 3.24Å; K6-V10 PolarHBondContact O-N 3.14Å
7R84.5Confident80.9Confident130 Ų13090.9 Ų90.949%0.49147%0.469SS..Hα-helixtrans-58.9-43.8176.2-176.1179.4175.8-167-1.4111.7Q3 A4 T5 H9 V10 V11 N60Q3-R7 PolarHBondContact O-N 2.99Å; A4-R7 PolarHBondContact O-N 3.38Å; T5-R7 PolarHBondContact O-N 3.46Å; R7-H9 VanDerWaalsContact C-N 3.32Å; R7-H9 PolarHBondContact O-N 3.18Å; R7-V10 PolarHBondContact O-N 3.2Å; R7-V11 HydrophobicContact CG-CG2 4.29Å; R7-V11 VanDerWaalsContact O-CG2 3.31Å; R7-V11 WeakPolarHBondContact O-CG2 3.45Å; R7-V11 PolarHBondContact O-N 2.99Å; R7-N60 HydrophobicContact CG-CB 4.4Å
8K86.9Confident80.2Confident157 Ų15791.8 Ų91.868%0.68347%0.468SS*.Hα-helixtrans-58.3-43.2177.2-177179.9177.71790112.2A4 T5 K6 K12A4-K8 PolarHBondContact O-N 3.14Å; A4-K8 VanDerWaalsContact O-N 3.08Å; T5-K8 PolarHBondContact O-N 3.42Å; K6-K8 VanDerWaalsContact C-N 3.34Å; K6-K8 PolarHBondContact O-N 3.24Å; K8-K12 WeakPolarHBondContact O-CB 3.27Å; K8-K12 PolarHBondContact O-N 3.36Å
9H85.8Confident79.6Confident86 Ų8689.5 Ų89.540%0.39846%0.457SS..Hα-helixtrans-67.2-46.9179-69.981.2000111.3T5 K6 R7 V11 K12 E13T5-H9 PolarHBondContact O-N 3.03Å; T5-H9 PolarHBondContact O-ND1 3.18Å; K6-H9 PolarHBondContact O-N 3.42Å; R7-H9 VanDerWaalsContact C-N 3.32Å; R7-H9 PolarHBondContact O-N 3.18Å; H9-V11 VanDerWaalsContact C-N 3.35Å; H9-V11 PolarHBondContact O-N 2.98Å; H9-K12 PolarHBondContact O-N 3.21Å; H9-K12 VanDerWaalsContact O-N 3.14Å; H9-E13 WeakPolarHBondContact O-CG 3.33Å; H9-E13 PolarHBondContact O-N 3.06Å
10V84.7Confident79.2Confident8 Ų888.7 Ų88.75%0.04846%0.456CS..Hα-helixtrans-58.9-45.5178.41720000111.5K6 R7 K12 E13 V14 F57 N60 I61K6-V10 WeakPolarHBondContact O-CG2 3.24Å; K6-V10 PolarHBondContact O-N 3.14Å; R7-V10 PolarHBondContact O-N 3.2Å; V10-K12 VanDerWaalsContact C-N 3.32Å; V10-K12 PolarHBondContact O-N 3.31Å; V10-E13 PolarHBondContact O-N 3.1Å; V10-V14 WeakPolarHBondContact O-CG2 3.34Å; V10-V14 PolarHBondContact O-N 2.7Å; V10-V14 VanDerWaalsContact O-N 3.08Å; V10-F57 HydrophobicContact CG1-CD1 3.79Å; V10-F57 HydrophobicContact CG1-CE1 4.16Å; V10-N60 HydrophobicContact CG1-CB 4.28Å; V10-I61 HydrophobicContact CG1-CD1 3.97Å; V10-I61 HydrophobicContact CG1-CG1 4.36Å
11V84.4Confident78.9Confident54 Ų5485.9 Ų85.933%0.32744%0.444SS..Hα-helixtrans-65.1-38.7178.5173.10000111.2R7 H9 L15R7-V11 HydrophobicContact CG-CG2 4.29Å; R7-V11 VanDerWaalsContact O-CG2 3.31Å; R7-V11 WeakPolarHBondContact O-CG2 3.45Å; R7-V11 PolarHBondContact O-N 2.99Å; H9-V11 VanDerWaalsContact C-N 3.35Å; H9-V11 PolarHBondContact O-N 2.98Å; V11-L15 HydrophobicContact CG1-CD1 3.72Å; V11-L15 HydrophobicContact CG1-CG 4.48Å; V11-L15 WeakPolarHBondContact O-CB 3.47Å; V11-L15 WeakPolarHBondContact O-CG 3.47Å; V11-L15 PolarHBondContact O-N 3.3Å; V11-L15 VanDerWaalsContact O-N 3.07Å
12K85.4Confident79.5Confident156 Ų15681 Ų8168%0.67843%0.425SS*.Hα-helixtrans-66.7-43.3178.6-172.5-176.9177.8-170.90112.3K8 H9 V10 G16K8-K12 WeakPolarHBondContact O-CB 3.27Å; K8-K12 PolarHBondContact O-N 3.36Å; H9-K12 PolarHBondContact O-N 3.21Å; H9-K12 VanDerWaalsContact O-N 3.14Å; V10-K12 VanDerWaalsContact C-N 3.32Å; V10-K12 PolarHBondContact O-N 3.31Å; K12-G16 WeakPolarHBondContact O-CA 3.39Å; K12-G16 PolarHBondContact O-N 3.42Å
13E82.7Confident79Confident95 Ų9586.9 Ų86.944%0.44445%0.445SS..Hα-helixtrans-62.5-48.8177.1-73.8172.1-175.600110.6H9 V10 L15 G16 D17H9-E13 WeakPolarHBondContact O-CG 3.33Å; H9-E13 PolarHBondContact O-N 3.06Å; V10-E13 PolarHBondContact O-N 3.1Å; E13-L15 VanDerWaalsContact C-N 3.31Å; E13-L15 PolarHBondContact O-N 3.31Å; E13-G16 PolarHBondContact O-N 3.42Å; E13-D17 WeakPolarHBondContact O-CB 3.5Å; E13-D17 PolarHBondContact O-N 2.92Å
14V81.7Confident79.1Confident2 Ų286.3 Ų86.31%0.01245%0.446CS..Hα-helixtrans-65.7-34.4-178.3-176.60000111.9V10 F57 I61 I87 Y89 H92V10-V14 WeakPolarHBondContact O-CG2 3.34Å; V10-V14 PolarHBondContact O-N 2.7Å; V10-V14 VanDerWaalsContact O-N 3.08Å; V14-F57 HydrophobicContact CG2-CD1 4.32Å; V14-F57 HydrophobicContact CG2-CE1 3.51Å; V14-F57 HydrophobicContact CG2-CZ 4.14Å; V14-I61 HydrophobicContact CB-CD1 4.15Å; V14-I61 HydrophobicContact CG1-CD1 4.23Å; V14-I61 HydrophobicContact CG2-CD1 3.61Å; V14-I87 HydrophobicContact CG1-CB 4.33Å; V14-Y89 HydrophobicContact CG1-CD2 4.37Å; V14-Y89 HydrophobicContact CG1-CE2 3.63Å; V14-H92 PolarHBondContact O-CE1 2.95Å
15L78.7Confident79.3Confident98 Ų9884.4 Ų84.451%0.51343%0.425SS..Hα-helixtrans-83.4-23.5177.6-68.8171000114V11 E13 Y89V11-L15 HydrophobicContact CG1-CD1 3.72Å; V11-L15 HydrophobicContact CG1-CG 4.48Å; V11-L15 WeakPolarHBondContact O-CB 3.47Å; V11-L15 WeakPolarHBondContact O-CG 3.47Å; V11-L15 PolarHBondContact O-N 3.3Å; V11-L15 VanDerWaalsContact O-N 3.07Å; E13-L15 VanDerWaalsContact C-N 3.31Å; E13-L15 PolarHBondContact O-N 3.31Å; L15-Y89 HydrophobicContact CD2-CD2 3.8Å; L15-Y89 HydrophobicContact CD2-CE2 3.62Å; L15-Y89 HydrophobicContact CG-CE2 4.4Å
16G67.9Low79.5Confident44 Ų4485.9 Ų85.945%0.45443%0.428SS..Hα-helixtrans-99.1-27.3-17100000114.6K12 E13 F18K12-G16 WeakPolarHBondContact O-CA 3.39Å; K12-G16 PolarHBondContact O-N 3.42Å; E13-G16 PolarHBondContact O-N 3.42Å; G16-F18 PolarHBondContact O-N 2.97Å
17D71Confident79.8Confident78 Ų7881 Ų8142%0.41741%0.407SS..  trans-92101-172.8-64.5-17.4000110.2E13 I19E13-D17 WeakPolarHBondContact O-CB 3.5Å; E13-D17 PolarHBondContact O-N 2.92Å; D17-I19 HydrophobicContact CB-CD1 3.7Å; D17-I19 HydrophobicContact CB-CG1 3.89Å; D17-I19 VanDerWaalsContact O-CD1 3.28Å; D17-I19 WeakPolarHBondContact O-CD1 3.41Å; D17-I19 PolarHBondContact O-N 2.76Å; D17-I19 VanDerWaalsContact O-N 3.08Å
18F69.3Low80.2Confident106 Ų10674.9 Ų74.947%0.46538%0.384SS..  trans-75.890.9167.7-63.6-82.9000109G16 D91 H92 Y95G16-F18 PolarHBondContact O-N 2.97Å; F18-D91 HydrophobicContact CE1-CB 4.49Å; F18-H92 AromaticContact CD1-CD2 3.74Å; F18-H92 AromaticContact CE1-CD2 3.77Å; F18-Y95 HydrophobicContact CB-CD1 4.17Å; F18-Y95 HydrophobicContact CB-CE1 4.15Å; F18-Y95 HydrophobicContact CD1-CD1 4.38Å; F18-Y95 HydrophobicContact CD1-CG 4.08Å
19I67.6Low80.5Confident48 Ų4868.2 Ų68.225%0.24636%0.355CS..PPolyproline II helixtrans-92.9135.7-175.3-56.3127.1000110.5D17 F86D17-I19 HydrophobicContact CB-CD1 3.7Å; D17-I19 HydrophobicContact CB-CG1 3.89Å; D17-I19 VanDerWaalsContact O-CD1 3.28Å; D17-I19 WeakPolarHBondContact O-CD1 3.41Å; D17-I19 PolarHBondContact O-N 2.76Å; D17-I19 VanDerWaalsContact O-N 3.08Å; I19-F86 HydrophobicContact CD1-CD1 3.26Å; I19-F86 HydrophobicContact CD1-CD2 3.81Å; I19-F86 HydrophobicContact CD1-CE1 3.11Å; I19-F86 HydrophobicContact CD1-CE2 3.67Å; I19-F86 HydrophobicContact CD1-CG 3.61Å; I19-F86 HydrophobicContact CD1-CZ 3.32Å; I19-F86 HydrophobicContact CG1-CE1 4.39Å; I19-F86 HydrophobicContact CG1-CE2 4.39Å; I19-F86 HydrophobicContact CG1-CZ 4.22Å
20T71.4Confident80.9Confident73 Ų7364.2 Ų64.245%0.44834%0.336SS..PPolyproline II helixtrans-82.9128.8167.6-48.10000108.6T22 L101T20-T22 PolarHBondContact O-N 2.71Å; T20-L101 HydrophobicContact CG2-CD1 3.34Å
21P74.4Confident81.4Confident31 Ų3166 Ų6620%0.20135%0.347CS..PPolyproline II helixtrans-57.3132.5176.123.2-32.5000110.2Q25 I27 L96P21-Q25 HydrophobicContact CB-CB 4.36Å; P21-I27 HydrophobicContact CG-CD1 4.47Å; P21-L96 HydrophobicContact CG-CD2 4.38Å
22T76.8Confident81.7Confident87 Ų8764.4 Ų64.453%0.53434%0.342SS..PPolyproline II helixtrans-78163.2175.7-47.70000110T20 N24 Q25T20-T22 PolarHBondContact O-N 2.71Å; T22-N24 PolarHBondContact O-N 3.02Å; T22-N24 VanDerWaalsContact O-N 3.08Å; T22-Q25 WeakPolarHBondContact O-CB 3.26Å; T22-Q25 PolarHBondContact O-N 3.18Å; T22-Q25 PolarHBondContact OG1-OE1 3.22Å
23E72.9Confident82Confident195 Ų19561 Ų6191%0.91134%0.338SS*.THydrogen-bonded Turntrans-54.8-32-174.1-65.3-178.6169.100115
24N81.1Confident82.4Confident127 Ų12763.4 Ų63.468%0.67934%0.343SS*.THydrogen-bonded Turntrans-88.8-7.2178.8-60.4-28.8000113.1T22 P73T22-N24 PolarHBondContact O-N 3.02Å; T22-N24 VanDerWaalsContact O-N 3.08Å; N24-P73 WeakPolarHBondContact O-CD 3.33Å; N24-P73 VanDerWaalsContact O-CG 3.3Å; N24-P73 WeakPolarHBondContact O-CG 3.44Å
25Q88.6Confident82.8Confident32 Ų3265.2 Ų65.215%0.1536%0.362CS..  trans-90.4140.8-174.8-79.7174.2-14.800111.3P21 T22 I70 V71 D72 S85P21-Q25 HydrophobicContact CB-CB 4.36Å; T22-Q25 WeakPolarHBondContact O-CB 3.26Å; T22-Q25 PolarHBondContact O-N 3.18Å; T22-Q25 PolarHBondContact OG1-OE1 3.22Å; Q25-I70 HydrophobicContact CB-CG2 3.64Å; Q25-I70 HydrophobicContact CG-CG2 3.83Å; Q25-V71 WeakPolarHBondContact CA-O 3.44Å; Q25-D72 WeakPolarHBondContact CG-OD1 3.34Å; Q25-D72 PolarHBondContact NE2-OD1 2.96Å; Q25-S85 PolarHBondContact NE2-OG 2.85Å
26Q88.9Confident83.3Confident87 Ų8767.4 Ų67.441%0.40737%0.374SS..EExtended strand (participates in β ladder)trans-122.4142176.9-170.5168.141.400111.2V28 I70 V71Q26-V28 HydrophobicContact CG-CG1 4.16Å; Q26-I70 WeakPolarHBondContact O-CA 3.4Å; Q26-V71 HydrophobicContact CB-CG2 4.13Å; Q26-V71 PolarHBondContact N-O 3.44Å; Q26-V71 WeakPolarHBondContact O-CG2 3.36Å; Q26-V71 PolarHBondContact O-N 3.46Å
27I91.3Very high84.5Confident8 Ų868.3 Ų68.34%0.04137%0.369CS..EExtended strand (participates in β ladder)trans-86.5129170.7-63.2164.4000108.2P21 I70 L88 L96 W102 P103 F106P21-I27 HydrophobicContact CG-CD1 4.47Å; I27-I70 HydrophobicContact CG1-CG1 4.26Å; I27-L88 HydrophobicContact CG1-CD1 4.31Å; I27-L88 HydrophobicContact CG2-CD1 4.16Å; I27-L96 HydrophobicContact CD1-CD1 4.23Å; I27-W102 HydrophobicContact CD1-CE3 4.17Å; I27-W102 HydrophobicContact CD1-CZ3 4.31Å; I27-W102 HydrophobicContact CG2-CH2 4.15Å; I27-W102 HydrophobicContact CG2-CZ3 4.04Å; I27-P103 HydrophobicContact CB-CG 3.99Å; I27-P103 HydrophobicContact CD1-CG 4.27Å; I27-P103 HydrophobicContact CG2-CG 4.36Å; I27-F106 HydrophobicContact CG2-CD2 4.36Å; I27-F106 HydrophobicContact CG2-CE2 4.18Å; I27-F106 WeakPolarHBondContact O-CE2 3.3Å
28V92.9Very high85.5Confident0 Ų066.4 Ų66.40%036%0.358CS..EExtended strand (participates in β ladder)trans-135.6155.4178.4-60.90000111.5Q26 A41 V42 F49 Y68 V69 V71Q26-V28 HydrophobicContact CG-CG1 4.16Å; V28-A41 HydrophobicContact CB-CB 4.02Å; V28-A41 HydrophobicContact CG2-CB 3.6Å; V28-V42 WeakPolarHBondContact CA-O 3.3Å; V28-V42 WeakPolarHBondContact CB-O 3.44Å; V28-F49 HydrophobicContact CG1-CE1 4.1Å; V28-F49 HydrophobicContact CG1-CZ 3.82Å; V28-Y68 WeakPolarHBondContact O-CA 3.38Å; V28-V69 HydrophobicContact CG2-CG2 3.56Å; V28-V69 PolarHBondContact N-O 2.86Å; V28-V69 PolarHBondContact O-N 2.69Å; V28-V71 HydrophobicContact CG1-CG2 3.92Å; V28-V71 HydrophobicContact CG2-CB 4.36Å; V28-V71 HydrophobicContact CG2-CG1 3.5Å; V28-V71 VanDerWaalsContact CG2-CG1 3.5Å; V28-V71 HydrophobicContact CG2-CG2 3.91Å
29K93.5Very high86.7Confident18 Ų1862.1 Ų62.18%0.07834%0.34CS..EExtended strand (participates in β ladder)trans-101.3131179-176.4179.9-175.1174.10110.6A41 V42 Y68 F106 E109K29-A41 CarbonylContact O-C 3.53Å; K29-A41 VanDerWaalsContact O-CA 3.25Å; K29-A41 WeakPolarHBondContact O-CA 3.49Å; K29-V42 PolarHBondContact N-O 3.25Å; K29-V42 PolarHBondContact O-N 3.07Å; K29-Y68 HydrophobicContact CB-CD1 4.07Å; K29-Y68 HydrophobicContact CB-CE1 3.93Å; K29-Y68 HydrophobicContact CD-CE1 4.18Å; K29-Y68 HydrophobicContact CG-CD1 4.39Å; K29-Y68 HydrophobicContact CG-CE1 4.05Å; K29-F106 HydrophobicContact CB-CD1 4.22Å; K29-F106 HydrophobicContact CB-CE1 3.59Å; K29-F106 HydrophobicContact CB-CZ 4.19Å; K29-E109 VanDerWaalsContact CD-OE2 3.27Å; K29-E109 WeakPolarHBondContact CD-OE2 3.41Å; K29-E109 IonicContact NZ-OE1 2.71Å; K29-E109 PolarHBondContact NZ-OE1 3.26Å; K29-E109 IonicContact NZ-OE2 2.76Å; K29-E109 PolarHBondContact NZ-OE2 3.43Å
30V94.7Very high88Confident1 Ų161.1 Ų61.11%0.00633%0.334CS..EExtended strand (participates in β ladder)trans-81.2123.7179.4179.80000110.3H39 I63 G66 D67 V69V30-H39 HydrophobicContact CG1-CB 4.26Å; V30-I63 HydrophobicContact CB-CG2 4.06Å; V30-I63 HydrophobicContact CG1-CG2 3.94Å; V30-I63 HydrophobicContact CG2-CG2 3.88Å; V30-G66 PolarHBondContact O-N 2.77Å; V30-D67 PolarHBondContact N-O 2.61Å; V30-V69 HydrophobicContact CG2-CG1 4Å; V30-V69 HydrophobicContact CG2-CG2 3.79Å
31T93.8Very high89.1Confident45 Ų4557.7 Ų57.728%0.27631%0.313SS..EExtended strand (participates in β ladder)trans-91.5-35.2177.2-61.70000111.5E40 V42 R65T31-E40 PolarHBondContact N-O 3.26Å; T31-V42 VanDerWaalsContact OG1-CG2 3.24Å; T31-V42 WeakPolarHBondContact OG1-CG2 3.39Å; T31-R65 WeakPolarHBondContact O-CB 3.28Å; T31-R65 VanDerWaalsContact O-CD 3.23Å; T31-R65 WeakPolarHBondContact O-CD 3.49Å; T31-R65 WeakPolarHBondContact O-CG 3.21Å
32G91.9Very high90Very high22 Ų2257.7 Ų57.723%0.22731%0.312CS..EExtended strand (participates in β ladder)trans-178.9175.9177.500000113.3H39 E40G32-H39 CarbonylContact O-C 3.51Å; G32-H39 WeakPolarHBondContact O-CA 3.14Å; G32-E40 PolarHBondContact O-N 3.39Å
33S91.8Very high90.7Very high85 Ų8554 Ų5459%0.59429%0.289SS*.EExtended strand (participates in β ladder)trans-100.2135.8174.355.90000111
34R90.8Very high91.4Very high145 Ų14546.2 Ų46.255%0.54726%0.259SS..EExtended strand (participates in β ladder)trans-101.48.5179.8-68.6-76154.775.3-1.8113.7L38 E40 L50R34-L38 HydrophobicContact CB-CB 4.47Å; R34-L38 PolarHBondContact N-O 3.08Å; R34-E40 HydrophobicContact CG-CB 4.36Å; R34-E40 VanDerWaalsContact CZ-CD 3.4Å; R34-E40 IonicContact CZ-OE1 3.26Å; R34-E40 VanDerWaalsContact CZ-OE1 3.26Å; R34-E40 IonicContact CZ-OE2 3.3Å; R34-E40 VanDerWaalsContact CZ-OE2 3.3Å; R34-E40 IonicContact NH1-OE1 2.69Å; R34-E40 PolarHBondContact NH1-OE1 3.05Å; R34-E40 IonicContact NH1-OE2 3.5Å; R34-E40 IonicContact NH2-OE1 3.01Å; R34-E40 PolarHBondContact NH2-OE1 3.2Å; R34-E40 IonicContact NH2-OE2 2.61Å; R34-E40 PolarHBondContact NH2-OE2 3.35Å; R34-L50 HydrophobicContact CB-CD2 4.18Å; R34-L50 HydrophobicContact CG-CD2 3.72Å
35G88.9Confident91.6Very high40 Ų4047.8 Ų47.841%0.41226%0.262SS..EExtended strand (participates in β ladder)trans86.5171.3-175.400000112.3N37 L38G35-N37 VanDerWaalsContact C-N 3.26Å; G35-N37 PolarHBondContact O-N 3.25Å; G35-N37 VanDerWaalsContact O-N 3.15Å; G35-L38 WeakPolarHBondContact O-CB 3.23Å; G35-L38 PolarHBondContact O-N 3.07Å
36N90.9Very high91.5Very high143 Ų14348.8 Ų48.877%0.76528%0.281SS*.THydrogen-bonded Turntrans50.938.1179.8-164.633.2000115.1L38N36-L38 PolarHBondContact O-N 3.25Å; N36-L38 VanDerWaalsContact O-N 3.16Å
37N91.6Very high91.5Very high64 Ų6450.5 Ų50.534%0.34229%0.289SS..THydrogen-bonded Turntrans57.824.2-175.6-56.5118.8000114.5G35 M53 R58G35-N37 VanDerWaalsContact C-N 3.26Å; G35-N37 PolarHBondContact O-N 3.25Å; G35-N37 VanDerWaalsContact O-N 3.15Å; N37-M53 HydrophobicContact CB-CB 4.27Å; N37-M53 WeakPolarHBondContact O-CB 3.45Å; N37-M53 PolarHBondContact O-N 3.03Å; N37-R58 HydrophobicContact CB-CG 4.33Å; N37-R58 WeakPolarHBondContact OD1-CD 3.13Å
38L93.1Very high91.6Very high37 Ų3754.3 Ų54.319%0.19431%0.312CS..EExtended strand (participates in β ladder)trans-98.2137.9169.8-59.6176.7000110.2R34 G35 N36 V51 V80R34-L38 HydrophobicContact CB-CB 4.47Å; R34-L38 PolarHBondContact N-O 3.08Å; G35-L38 WeakPolarHBondContact O-CB 3.23Å; G35-L38 PolarHBondContact O-N 3.07Å; N36-L38 PolarHBondContact O-N 3.25Å; N36-L38 VanDerWaalsContact O-N 3.16Å; L38-V51 WeakPolarHBondContact CA-O 3.45Å; L38-V80 HydrophobicContact CD1-CG2 4.27Å; L38-V80 HydrophobicContact CD2-CG1 4.27Å; L38-V80 HydrophobicContact CD2-CG2 3.77Å
39H94Very high91.6Very high16 Ų1655.6 Ų55.67%0.07432%0.318CS..EExtended strand (participates in β ladder)trans-122.1141.9176.7-60.3-89.9000109.3V30 G32 L50 V51V30-H39 HydrophobicContact CG1-CB 4.26Å; G32-H39 CarbonylContact O-C 3.51Å; G32-H39 WeakPolarHBondContact O-CA 3.14Å; H39-L50 CarbonylContact O-C 3.49Å; H39-L50 WeakPolarHBondContact O-CA 3.4Å; H39-V51 HydrophobicContact CB-CG2 3.79Å; H39-V51 PolarHBondContact N-O 3.1Å; H39-V51 WeakPolarHBondContact O-CG2 3.24Å; H39-V51 PolarHBondContact O-N 3.36Å
40E94.4Very high91.6Very high28 Ų2856.5 Ų56.513%0.13132%0.324CS..EExtended strand (participates in β ladder)trans-85.8125.7167.4-179.3-178-116.600108.5T31 G32 R34 F49 L50T31-E40 PolarHBondContact N-O 3.26Å; G32-E40 PolarHBondContact O-N 3.39Å; R34-E40 HydrophobicContact CG-CB 4.36Å; R34-E40 VanDerWaalsContact CZ-CD 3.4Å; R34-E40 IonicContact CZ-OE1 3.26Å; R34-E40 VanDerWaalsContact CZ-OE1 3.26Å; R34-E40 IonicContact CZ-OE2 3.3Å; R34-E40 VanDerWaalsContact CZ-OE2 3.3Å; R34-E40 IonicContact NH1-OE1 2.69Å; R34-E40 PolarHBondContact NH1-OE1 3.05Å; R34-E40 IonicContact NH1-OE2 3.5Å; R34-E40 IonicContact NH2-OE1 3.01Å; R34-E40 PolarHBondContact NH2-OE1 3.2Å; R34-E40 IonicContact NH2-OE2 2.61Å; R34-E40 PolarHBondContact NH2-OE2 3.35Å; E40-F49 WeakPolarHBondContact CA-O 3.36Å; E40-L50 HydrophobicContact CB-CD2 4.36Å
41A94.1Very high91.6Very high0 Ų056.5 Ų56.50%032%0.324CS..EExtended strand (participates in β ladder)trans-121.2151.6176.900000110.8V28 K29 T48 F49 V51V28-A41 HydrophobicContact CB-CB 4.02Å; V28-A41 HydrophobicContact CG2-CB 3.6Å; K29-A41 CarbonylContact O-C 3.53Å; K29-A41 VanDerWaalsContact O-CA 3.25Å; K29-A41 WeakPolarHBondContact O-CA 3.49Å; A41-T48 WeakPolarHBondContact O-CA 3.46Å; A41-F49 PolarHBondContact N-O 3.47Å; A41-F49 PolarHBondContact O-N 2.83Å; A41-V51 HydrophobicContact CB-CG1 3.95Å; A41-V51 HydrophobicContact CB-CG2 4.17Å
42V93.2Very high91.6Very high31 Ų3155.6 Ų55.619%0.18832%0.319CS..EExtended strand (participates in β ladder)trans-115.9127177.9173.80000108.6V28 K29 T31 E47 T48V28-V42 WeakPolarHBondContact CA-O 3.3Å; V28-V42 WeakPolarHBondContact CB-O 3.44Å; K29-V42 PolarHBondContact N-O 3.25Å; K29-V42 PolarHBondContact O-N 3.07Å; T31-V42 VanDerWaalsContact OG1-CG2 3.24Å; T31-V42 WeakPolarHBondContact OG1-CG2 3.39Å; V42-E47 WeakPolarHBondContact CA-O 3.4Å; V42-T48 HydrophobicContact CG2-CG2 3.63Å
43T92.2Very high91.6Very high9 Ų954.8 Ų54.86%0.05531%0.31CS..EExtended strand (participates in β ladder)trans-70.8161.4172.8-49.90000111Q45 G46 E47 F49T43-Q45 HydrophobicContact CG2-CB 4.33Å; T43-Q45 HydrophobicContact CG2-CG 4.29Å; T43-Q45 PolarHBondContact O-N 3.44Å; T43-G46 PolarHBondContact O-N 2.87Å; T43-E47 PolarHBondContact N-O 3.01Å; T43-E47 PolarHBondContact OG1-O 3.03Å; T43-F49 WeakPolarHBondContact OG1-CE1 3.36Å
44A87.7Confident91.7Very high32 Ų3251.2 Ų51.226%0.26429%0.285SS..THydrogen-bonded Turntrans-55-19.8168.400000114P103 F106A44-P103 HydrophobicContact CB-CB 3.86Å; A44-F106 HydrophobicContact CB-CD2 4.39Å; A44-F106 HydrophobicContact CB-CE2 3.86Å; A44-F106 HydrophobicContact CB-CZ 4.17Å
45Q86Confident91.7Very high161 Ų16149.2 Ų49.275%0.75229%0.288SS*.THydrogen-bonded Turntrans-86.2-2.6175.6-57.3-59.8-42.300113.6T43T43-Q45 HydrophobicContact CG2-CB 4.33Å; T43-Q45 HydrophobicContact CG2-CG 4.29Å; T43-Q45 PolarHBondContact O-N 3.44Å
46G85.6Confident91.6Very high53 Ų5350.3 Ų50.355%0.54628%0.282SS..SBendtrans85.33.3-177.500000115.3T43T43-G46 PolarHBondContact O-N 2.87Å
47E90.2Very high91.5Very high123 Ų12343.6 Ų43.658%0.57525%0.246SC*.  trans-76.1128.4177.4-64.3-172.5176.900112V42 T43V42-E47 WeakPolarHBondContact CA-O 3.4Å; T43-E47 PolarHBondContact N-O 3.01Å; T43-E47 PolarHBondContact OG1-O 3.03Å
48T92.3Very high91.5Very high87 Ų8744.5 Ų44.553%0.53425%0.245SC..EExtended strand (participates in β ladder)trans-93.5132.6175.954.20000111.6A41 V42A41-T48 WeakPolarHBondContact O-CA 3.46Å; V42-T48 HydrophobicContact CG2-CG2 3.63Å
49F93.6Very high91.2Very high27 Ų2750.3 Ų50.312%0.11827%0.268CS..EExtended strand (participates in β ladder)trans-149.6167.2174.461.7-79.7000112V28 E40 A41 T43 V51 V71 K81 A82V28-F49 HydrophobicContact CG1-CE1 4.1Å; V28-F49 HydrophobicContact CG1-CZ 3.82Å; E40-F49 WeakPolarHBondContact CA-O 3.36Å; A41-F49 PolarHBondContact N-O 3.47Å; A41-F49 PolarHBondContact O-N 2.83Å; T43-F49 WeakPolarHBondContact OG1-CE1 3.36Å; F49-V51 HydrophobicContact CD2-CG1 3.59Å; F49-V51 HydrophobicContact CE2-CG1 3.22Å; F49-V51 HydrophobicContact CZ-CG1 4.09Å; F49-V71 HydrophobicContact CZ-CG2 4.33Å; F49-K81 HydrophobicContact CB-CB 4.42Å; F49-K81 HydrophobicContact CB-CD 4.03Å; F49-K81 HydrophobicContact CB-CG 4.39Å; F49-K81 HydrophobicContact CD2-CB 3.92Å; F49-K81 HydrophobicContact CG-CB 4.46Å; F49-A82 HydrophobicContact CE2-CB 3.78Å
50L93.7Very high90.9Very high38 Ų3850.4 Ų50.420%0.19927%0.269CS..EExtended strand (participates in β ladder)trans-91.8137176.7-59.1176.9000111.1R34 H39 E40 K79 V80 K81R34-L50 HydrophobicContact CB-CD2 4.18Å; R34-L50 HydrophobicContact CG-CD2 3.72Å; H39-L50 CarbonylContact O-C 3.49Å; H39-L50 WeakPolarHBondContact O-CA 3.4Å; E40-L50 HydrophobicContact CB-CD2 4.36Å; L50-K79 WeakPolarHBondContact CB-O 3.4Å; L50-V80 HydrophobicContact CB-CG2 4.24Å; L50-V80 CarbonylContact O-C 3.58Å; L50-V80 WeakPolarHBondContact O-CA 3.33Å; L50-K81 PolarHBondContact O-N 2.89Å
51V94.4Very high90.7Very high0 Ų049.7 Ų49.70%027%0.266CS..EExtended strand (participates in β ladder)trans-121.2138.7176.2-55.70000110.6L38 H39 A41 F49 V71 A82 I84L38-V51 WeakPolarHBondContact CA-O 3.45Å; H39-V51 HydrophobicContact CB-CG2 3.79Å; H39-V51 PolarHBondContact N-O 3.1Å; H39-V51 WeakPolarHBondContact O-CG2 3.24Å; H39-V51 PolarHBondContact O-N 3.36Å; A41-V51 HydrophobicContact CB-CG1 3.95Å; A41-V51 HydrophobicContact CB-CG2 4.17Å; F49-V51 HydrophobicContact CD2-CG1 3.59Å; F49-V51 HydrophobicContact CE2-CG1 3.22Å; F49-V51 HydrophobicContact CZ-CG1 4.09Å; V51-V71 HydrophobicContact CB-CG1 4.45Å; V51-V71 HydrophobicContact CG1-CG1 4.06Å; V51-A82 CarbonylContact C-O 3.59Å; V51-A82 VanDerWaalsContact CA-O 3.27Å; V51-A82 WeakPolarHBondContact CA-O 3.48Å; V51-A82 HydrophobicContact CG1-CB 4.05Å; V51-I84 HydrophobicContact CB-CG1 4.18Å; V51-I84 HydrophobicContact CG2-CD1 3.81Å; V51-I84 HydrophobicContact CG2-CG1 3.76Å
52S93.5Very high90.5Very high27 Ų2758.5 Ų58.519%0.18930%0.299CS..EExtended strand (participates in β ladder)trans-88.4139.8175.9178.80000110.7A82 E83 I84S52-A82 PolarHBondContact N-O 3.32Å; S52-E83 WeakPolarHBondContact O-CA 3.25Å; S52-I84 PolarHBondContact O-N 2.98Å
53M92.8Very high90.4Very high5 Ų558 Ų583%0.02530%0.296CS..PPolyproline II helixtrans-90.4126172.9-165163.2-17300111N37 F57 R58 I61 I63 I84 I87N37-M53 HydrophobicContact CB-CB 4.27Å; N37-M53 WeakPolarHBondContact O-CB 3.45Å; N37-M53 PolarHBondContact O-N 3.03Å; M53-F57 HydrophobicContact CE-CB 3.35Å; M53-F57 HydrophobicContact CE-CG 4.36Å; M53-F57 HydrophobicContact CG-CB 4.07Å; M53-F57 HydrophobicContact SD-CB 4.47Å; M53-R58 PolarHBondContact O-NE 3.02Å; M53-R58 PolarHBondContact O-NH2 2.85Å; M53-I61 HydrophobicContact CE-CB 4.33Å; M53-I61 WeakPolarHBondContact CE-O 3.36Å; M53-I63 HydrophobicContact CE-CD1 3.56Å; M53-I63 HydrophobicContact CE-CG1 3.91Å; M53-I63 HydrophobicContact SD-CD1 3.82Å; M53-I84 HydrophobicContact CB-CD1 4.33Å; M53-I84 HydrophobicContact CG-CD1 4.43Å; M53-I87 HydrophobicContact CE-CD1 3.97Å
54P92.3Very high90.3Very high10 Ų1064.8 Ų64.87%0.06532%0.324CS..PPolyproline II helixtrans-58.4151176.8-22.825.5000113K56 F57 R58 E83 I84P54-K56 HydrophobicContact CB-CG 3.73Å; P54-K56 PolarHBondContact O-N 3.2Å; P54-K56 VanDerWaalsContact O-N 3.1Å; P54-F57 HydrophobicContact CB-CD2 4.27Å; P54-F57 HydrophobicContact CG-CD2 3.95Å; P54-F57 HydrophobicContact CG-CE2 4.15Å; P54-F57 PolarHBondContact O-N 3.08Å; P54-R58 WeakPolarHBondContact O-CG 3.31Å; P54-R58 PolarHBondContact O-N 2.87Å; P54-E83 WeakPolarHBondContact CA-OE1 3.48Å; P54-E83 WeakPolarHBondContact CB-OE1 3.44Å; P54-E83 HydrophobicContact CG-CG 3.81Å; P54-E83 WeakPolarHBondContact CG-OE1 3.34Å; P54-I84 WeakPolarHBondContact CD-O 3.22Å; P54-I84 WeakPolarHBondContact CG-O 3.33Å
55T90.8Very high90.5Very high102 Ų10272.6 Ų72.663%0.62635%0.347SS*.THydrogen-bonded Turntrans-60.2-24.3179.361.90000113.7F57T55-F57 VanDerWaalsContact C-N 3.3Å; T55-F57 PolarHBondContact O-N 2.85Å
56K87.7Confident90.7Very high63 Ų6365.6 Ų65.627%0.27432%0.318SS..THydrogen-bonded Turntrans-62.2-34.517553.4168.5176.3169.10113.1P54 N60 S85P54-K56 HydrophobicContact CB-CG 3.73Å; P54-K56 PolarHBondContact O-N 3.2Å; P54-K56 VanDerWaalsContact O-N 3.1Å; K56-N60 PolarHBondContact O-ND2 2.85Å; K56-S85 PolarHBondContact NZ-O 3.03Å
57F89.4Confident91Very high2 Ų264.7 Ų64.71%0.00930%0.3CS..THydrogen-bonded Turntrans-96.1-21.2-174.6-55.7-44.2000113.3V10 V14 M53 P54 T55 K59 N60 I61 S85 I87V10-F57 HydrophobicContact CG1-CD1 3.79Å; V10-F57 HydrophobicContact CG1-CE1 4.16Å; V14-F57 HydrophobicContact CG2-CD1 4.32Å; V14-F57 HydrophobicContact CG2-CE1 3.51Å; V14-F57 HydrophobicContact CG2-CZ 4.14Å; M53-F57 HydrophobicContact CE-CB 3.35Å; M53-F57 HydrophobicContact CE-CG 4.36Å; M53-F57 HydrophobicContact CG-CB 4.07Å; M53-F57 HydrophobicContact SD-CB 4.47Å; P54-F57 HydrophobicContact CB-CD2 4.27Å; P54-F57 HydrophobicContact CG-CD2 3.95Å; P54-F57 HydrophobicContact CG-CE2 4.15Å; P54-F57 PolarHBondContact O-N 3.08Å; T55-F57 VanDerWaalsContact C-N 3.3Å; T55-F57 PolarHBondContact O-N 2.85Å; F57-K59 PolarHBondContact O-N 2.93Å; F57-N60 PolarHBondContact O-N 2.82Å; F57-I61 HydrophobicContact CB-CD1 4.48Å; F57-I61 HydrophobicContact CD1-CD1 3.55Å; F57-I61 HydrophobicContact CD1-CG1 4.43Å; F57-I61 HydrophobicContact CE1-CD1 4.02Å; F57-I61 HydrophobicContact CG-CD1 4.26Å; F57-I61 PolarHBondContact O-N 2.79Å; F57-S85 VanDerWaalsContact CE2-O 3.28Å; F57-S85 WeakPolarHBondContact CE2-O 3.42Å; F57-S85 WeakPolarHBondContact CZ-O 2.77Å; F57-I87 HydrophobicContact CD2-CD1 4.21Å; F57-I87 HydrophobicContact CE2-CD1 4.5Å; F57-I87 HydrophobicContact CG-CD1 4.25Å
58R90.3Very high91.2Very high84 Ų8459.3 Ų59.332%0.31728%0.275SS..THydrogen-bonded Turntrans-55.7126.7178.3-64179.5-165.7-179.73.1110.6N37 M53 P54 N60N37-R58 HydrophobicContact CB-CG 4.33Å; N37-R58 WeakPolarHBondContact OD1-CD 3.13Å; M53-R58 PolarHBondContact O-NE 3.02Å; M53-R58 PolarHBondContact O-NH2 2.85Å; P54-R58 WeakPolarHBondContact O-CG 3.31Å; P54-R58 PolarHBondContact O-N 2.87Å; R58-N60 PolarHBondContact O-N 2.92Å
59K87.1Confident91.2Very high159 Ų15955.2 Ų55.269%0.69125%0.25SC*.THydrogen-bonded Turntrans68.6-1.3-178.4-47.1176.9-179.2-178.70115.6F57 W62F57-K59 PolarHBondContact O-N 2.93Å; K59-W62 WeakPolarHBondContact O-CH2 3.44Å
60N88Confident91.1Very high17 Ų1754 Ų549%0.09124%0.244CC..THydrogen-bonded Turntrans-107.3-37-179.4-66.5-9.2000111.6R7 V10 K56 F57 R58 W62R7-N60 HydrophobicContact CG-CB 4.4Å; V10-N60 HydrophobicContact CG1-CB 4.28Å; K56-N60 PolarHBondContact O-ND2 2.85Å; F57-N60 PolarHBondContact O-N 2.82Å; R58-N60 PolarHBondContact O-N 2.92Å; N60-W62 WeakPolarHBondContact O-CZ3 3.47Å
61I89.4Confident91Very high14 Ų1452.2 Ų52.27%0.07224%0.235CC..  trans-129.3140-178.3-51178.9000108.6V10 V14 M53 F57 I87V10-I61 HydrophobicContact CG1-CD1 3.97Å; V10-I61 HydrophobicContact CG1-CG1 4.36Å; V14-I61 HydrophobicContact CB-CD1 4.15Å; V14-I61 HydrophobicContact CG1-CD1 4.23Å; V14-I61 HydrophobicContact CG2-CD1 3.61Å; M53-I61 HydrophobicContact CE-CB 4.33Å; M53-I61 WeakPolarHBondContact CE-O 3.36Å; F57-I61 HydrophobicContact CB-CD1 4.48Å; F57-I61 HydrophobicContact CD1-CD1 3.55Å; F57-I61 HydrophobicContact CD1-CG1 4.43Å; F57-I61 HydrophobicContact CE1-CD1 4.02Å; F57-I61 HydrophobicContact CG-CD1 4.26Å; F57-I61 PolarHBondContact O-N 2.79Å; I61-I87 HydrophobicContact CB-CD1 4.03Å; I61-I87 HydrophobicContact CD1-CD1 3.94Å; I61-I87 HydrophobicContact CG2-CD1 3.55Å
62W89.5Confident90.9Very high184 Ų18454.8 Ų54.870%0.69725%0.249SC*.  trans-113.1132.6176.1-72.8-101.6000108.9K59 N60K59-W62 WeakPolarHBondContact O-CH2 3.44Å; N60-W62 WeakPolarHBondContact O-CZ3 3.47Å
63I91.4Very high90.8Very high22 Ų2257.4 Ų57.411%0.11327%0.265CS..  trans-109.4130.5178.7-58.1170.3000107.2V30 M53 D67 V69 I84 I87V30-I63 HydrophobicContact CB-CG2 4.06Å; V30-I63 HydrophobicContact CG1-CG2 3.94Å; V30-I63 HydrophobicContact CG2-CG2 3.88Å; M53-I63 HydrophobicContact CE-CD1 3.56Å; M53-I63 HydrophobicContact CE-CG1 3.91Å; M53-I63 HydrophobicContact SD-CD1 3.82Å; I63-D67 HydrophobicContact CG2-CB 3.92Å; I63-V69 HydrophobicContact CD1-CG1 4.28Å; I63-I84 HydrophobicContact CD1-CD1 3.82Å; I63-I87 HydrophobicContact CD1-CD1 3.96Å; I63-I87 HydrophobicContact CD1-CG1 4.1Å; I63-I87 HydrophobicContact CG1-CD1 4.04Å; I63-I87 HydrophobicContact CG1-CG1 4.38Å
64K91Very high90.7Very high151 Ų15160.5 Ų60.566%0.65728%0.281SS*.  trans-108.8170.9176.953.1174.5176.3178.20110.7G66 D67K64-G66 PolarHBondContact O-N 2.92Å; K64-D67 WeakPolarHBondContact CE-OD1 3.41Å; K64-D67 WeakPolarHBondContact CG-OD1 3.4Å; K64-D67 WeakPolarHBondContact CG-OD2 3.44Å; K64-D67 PolarHBondContact N-OD2 3.01Å; K64-D67 PolarHBondContact O-N 2.94Å
65R92.4Very high90.1Very high196 Ų19669.7 Ų69.774%0.7432%0.323SS*.THydrogen-bonded Turntrans-62.6133.9173.4175.4173.2179.6179.6-0.7109.7T31T31-R65 WeakPolarHBondContact O-CB 3.28Å; T31-R65 VanDerWaalsContact O-CD 3.23Å; T31-R65 WeakPolarHBondContact O-CD 3.49Å; T31-R65 WeakPolarHBondContact O-CG 3.21Å
66G89.9Confident89.8Confident13 Ų1373.8 Ų73.813%0.13434%0.335CS..THydrogen-bonded Turntrans91.1-2.5-179.300000114.6V30 K64V30-G66 PolarHBondContact O-N 2.77Å; K64-G66 PolarHBondContact O-N 2.92Å
67D92.5Very high89.2Confident34 Ų3471.9 Ų71.918%0.18233%0.334CS..  trans-75.1151.2172.3-69.6-15.6000110.8V30 I63 K64V30-D67 PolarHBondContact N-O 2.61Å; I63-D67 HydrophobicContact CG2-CB 3.92Å; K64-D67 WeakPolarHBondContact CE-OD1 3.41Å; K64-D67 WeakPolarHBondContact CG-OD1 3.4Å; K64-D67 WeakPolarHBondContact CG-OD2 3.44Å; K64-D67 PolarHBondContact N-OD2 3.01Å; K64-D67 PolarHBondContact O-N 2.94Å
68Y92.4Very high88.7Confident11 Ų1180.1 Ų80.14%0.04337%0.372CS..EExtended strand (participates in β ladder)trans-104.4140.9177-63.1-87.9000110.1V28 K29 L88 I93 W102 F106V28-Y68 WeakPolarHBondContact O-CA 3.38Å; K29-Y68 HydrophobicContact CB-CD1 4.07Å; K29-Y68 HydrophobicContact CB-CE1 3.93Å; K29-Y68 HydrophobicContact CD-CE1 4.18Å; K29-Y68 HydrophobicContact CG-CD1 4.39Å; K29-Y68 HydrophobicContact CG-CE1 4.05Å; Y68-L88 WeakPolarHBondContact O-CB 3.37Å; Y68-L88 PolarHBondContact O-N 2.88Å; Y68-I93 HydrophobicContact CD2-CD1 3.54Å; Y68-I93 HydrophobicContact CE2-CD1 4.1Å; Y68-I93 HydrophobicContact CG-CD1 4.3Å; Y68-W102 AromaticContact CD1-CH2 3.67Å; Y68-W102 HydrophobicContact CD1-CH2 3.67Å; Y68-W102 AromaticContact CD1-CZ2 3.83Å; Y68-W102 HydrophobicContact CD1-CZ2 3.83Å; Y68-W102 HydrophobicContact CD2-CH2 4.06Å; Y68-W102 HydrophobicContact CD2-CZ2 4.35Å; Y68-W102 HydrophobicContact CE1-CH2 4.13Å; Y68-W102 AromaticContact CE1-CZ2 3.79Å; Y68-W102 HydrophobicContact CE1-CZ2 3.79Å; Y68-W102 HydrophobicContact CE2-CH2 4.49Å; Y68-W102 HydrophobicContact CE2-CZ2 4.32Å; Y68-W102 AromaticContact CG-CH2 3.62Å; Y68-W102 HydrophobicContact CG-CH2 3.62Å; Y68-W102 HydrophobicContact CG-CZ2 4.1Å; Y68-F106 HydrophobicContact CD1-CD1 4.47Å; Y68-F106 HydrophobicContact CD1-CG 4.37Å; Y68-F106 HydrophobicContact CE1-CB 3.86Å; Y68-F106 AromaticContact CE1-CD1 3.66Å; Y68-F106 HydrophobicContact CE1-CD1 3.66Å; Y68-F106 HydrophobicContact CE1-CD2 4.31Å; Y68-F106 HydrophobicContact CE1-CE1 4.25Å; Y68-F106 AromaticContact CE1-CG 3.68Å; Y68-F106 HydrophobicContact CE1-CG 3.68Å
69V92.5Very high88.5Confident0 Ų083.9 Ų83.90%039%0.391CS..EExtended strand (participates in β ladder)trans-138149.4-179.4-62.70000110.2V28 V30 I63 V71 I84 F86 I87V28-V69 HydrophobicContact CG2-CG2 3.56Å; V28-V69 PolarHBondContact N-O 2.86Å; V28-V69 PolarHBondContact O-N 2.69Å; V30-V69 HydrophobicContact CG2-CG1 4Å; V30-V69 HydrophobicContact CG2-CG2 3.79Å; I63-V69 HydrophobicContact CD1-CG1 4.28Å; V69-V71 HydrophobicContact CG2-CG1 4.01Å; V69-I84 HydrophobicContact CB-CG2 4.06Å; V69-I84 HydrophobicContact CG1-CG2 4.25Å; V69-I84 HydrophobicContact CG2-CG1 4.35Å; V69-F86 WeakPolarHBondContact CA-O 3.44Å; V69-I87 HydrophobicContact CG1-CB 4.49Å; V69-I87 HydrophobicContact CG1-CG1 4.2Å; V69-I87 HydrophobicContact CG1-CG2 4.41Å
70I92.1Very high88.7Confident1 Ų178.1 Ų78.11%0.00537%0.369CS..EExtended strand (participates in β ladder)trans-91.9129.3168.9-60.3-180000107.5Q25 Q26 I27 I84 S85 F86 L88Q25-I70 HydrophobicContact CB-CG2 3.64Å; Q25-I70 HydrophobicContact CG-CG2 3.83Å; Q26-I70 WeakPolarHBondContact O-CA 3.4Å; I27-I70 HydrophobicContact CG1-CG1 4.26Å; I70-I84 CarbonylContact O-C 3.58Å; I70-S85 PolarHBondContact O-N 2.95Å; I70-F86 HydrophobicContact CB-CB 4.23Å; I70-F86 HydrophobicContact CD1-CB 4.37Å; I70-F86 PolarHBondContact N-O 3.03Å; I70-F86 PolarHBondContact O-N 2.81Å; I70-L88 HydrophobicContact CD1-CD1 4.43Å; I70-L88 HydrophobicContact CD1-CD2 4Å; I70-L88 HydrophobicContact CD1-CG 4.46Å; I70-L88 HydrophobicContact CG1-CD1 3.86Å; I70-L88 HydrophobicContact CG1-CD2 4.17Å; I70-L88 HydrophobicContact CG1-CG 4.07Å
71V92.8Very high88.8Confident2 Ų282.4 Ų82.41%0.01239%0.387CS..EExtended strand (participates in β ladder)trans-117.8142.6180-62.80000111.6Q25 Q26 V28 F49 V51 V69 A82 E83 I84Q25-V71 WeakPolarHBondContact CA-O 3.44Å; Q26-V71 HydrophobicContact CB-CG2 4.13Å; Q26-V71 PolarHBondContact N-O 3.44Å; Q26-V71 WeakPolarHBondContact O-CG2 3.36Å; Q26-V71 PolarHBondContact O-N 3.46Å; V28-V71 HydrophobicContact CG1-CG2 3.92Å; V28-V71 HydrophobicContact CG2-CB 4.36Å; V28-V71 HydrophobicContact CG2-CG1 3.5Å; V28-V71 VanDerWaalsContact CG2-CG1 3.5Å; V28-V71 HydrophobicContact CG2-CG2 3.91Å; F49-V71 HydrophobicContact CZ-CG2 4.33Å; V51-V71 HydrophobicContact CB-CG1 4.45Å; V51-V71 HydrophobicContact CG1-CG1 4.06Å; V69-V71 HydrophobicContact CG2-CG1 4.01Å; V71-A82 HydrophobicContact CB-CB 3.83Å; V71-A82 HydrophobicContact CG2-CB 4.13Å; V71-E83 CarbonylContact C-O 3.59Å; V71-E83 VanDerWaalsContact CA-O 3.26Å; V71-E83 WeakPolarHBondContact CA-O 3.43Å; V71-I84 HydrophobicContact CG1-CG1 4.29Å
72D92.3Very high89Confident54 Ų5481.8 Ų81.829%0.28938%0.384SS..EExtended strand (participates in β ladder)trans-98.4114.7169.1-71.8-45.6000107.9Q25 A82 E83 S85Q25-D72 WeakPolarHBondContact CG-OD1 3.34Å; Q25-D72 PolarHBondContact NE2-OD1 2.96Å; D72-A82 CarbonylContact O-C 3.57Å; D72-A82 VanDerWaalsContact O-CA 3.27Å; D72-A82 WeakPolarHBondContact O-CA 3.28Å; D72-A82 WeakPolarHBondContact O-CB 3.11Å; D72-E83 PolarHBondContact N-O 3.38Å; D72-E83 PolarHBondContact O-N 3.33Å; D72-S85 WeakPolarHBondContact OD2-CB 2.99Å; D72-S85 PolarHBondContact OD2-OG 2.85Å
73P91Very high89.1Confident81 Ų8176.8 Ų76.853%0.52637%0.368SS..EExtended strand (participates in β ladder)trans-67.4142.2-17926.7-32.2000111.5N24N24-P73 WeakPolarHBondContact O-CD 3.33Å; N24-P73 VanDerWaalsContact O-CG 3.3Å; N24-P73 WeakPolarHBondContact O-CG 3.44Å
74I89.3Confident89.2Confident71 Ų7175.7 Ų75.736%0.36436%0.363SS..  trans-115.9109178.1-58.7170.9000107.6E76 G77 K81 E83I74-E76 HydrophobicContact CG2-CB 4.33Å; I74-E76 PolarHBondContact O-N 3.07Å; I74-G77 PolarHBondContact O-N 3.28Å; I74-K81 PolarHBondContact N-O 2.96Å; I74-E83 HydrophobicContact CD1-CB 4.01Å
75E80.9Confident89.2Confident202 Ų20269.4 Ų69.494%0.94434%0.337SS*.THydrogen-bonded Turntrans-65.7-25.1-177.9-61.2-174.216400113.3G77E75-G77 VanDerWaalsContact C-N 3.34Å
76E83.4Confident89Confident188 Ų18862 Ų6288%0.87931%0.311SS*.THydrogen-bonded Turntrans-83.5-6.9-176.9-159.9177.1175.600113.6I74I74-E76 HydrophobicContact CG2-CB 4.33Å; I74-E76 PolarHBondContact O-N 3.07Å
77G76.4Confident89Confident24 Ų2461.5 Ų61.525%0.24731%0.305CS..  trans-85.3116.2-17100000114.6I74 E75 V80I74-G77 PolarHBondContact O-N 3.28Å; E75-G77 VanDerWaalsContact C-N 3.34Å; G77-V80 VanDerWaalsContact CA-O 3.27Å; G77-V80 WeakPolarHBondContact CA-O 3.37Å
78E79.1Confident88.9Confident175 Ų17560.4 Ų60.482%0.81830%0.299SS*.SBendtrans-70.1-57.8175.7-172.5-176.1-16500111.9
79K84.9Confident88.8Confident162 Ų16264.2 Ų64.270%0.70431%0.314SS*.SBendtrans-99.1-34.8-179.1-67.1-176-179.1177.40113.3L50L50-K79 WeakPolarHBondContact CB-O 3.4Å
80V90.9Very high88.6Confident39 Ų3971.7 Ų71.724%0.23635%0.347CS..EExtended strand (participates in β ladder)trans-104.7104.6-179.4-1780000107.4L38 L50 G77L38-V80 HydrophobicContact CD1-CG2 4.27Å; L38-V80 HydrophobicContact CD2-CG1 4.27Å; L38-V80 HydrophobicContact CD2-CG2 3.77Å; L50-V80 HydrophobicContact CB-CG2 4.24Å; L50-V80 CarbonylContact O-C 3.58Å; L50-V80 WeakPolarHBondContact O-CA 3.33Å; G77-V80 VanDerWaalsContact CA-O 3.27Å; G77-V80 WeakPolarHBondContact CA-O 3.37Å
81K90.8Very high88.4Confident107 Ų10776.6 Ų76.647%0.46537%0.373SS..EExtended strand (participates in β ladder)trans-92.9-11.4-169.9-64.7-172.4176.8-177.90114F49 L50 I74F49-K81 HydrophobicContact CB-CB 4.42Å; F49-K81 HydrophobicContact CB-CD 4.03Å; F49-K81 HydrophobicContact CB-CG 4.39Å; F49-K81 HydrophobicContact CD2-CB 3.92Å; F49-K81 HydrophobicContact CG-CB 4.46Å; L50-K81 PolarHBondContact O-N 2.89Å; I74-K81 PolarHBondContact N-O 2.96Å
82A92.9Very high88.1Confident1 Ų177.1 Ų77.11%0.00838%0.375CS..EExtended strand (participates in β ladder)trans-154.6164.1-178.700000113F49 V51 S52 V71 D72F49-A82 HydrophobicContact CE2-CB 3.78Å; V51-A82 CarbonylContact C-O 3.59Å; V51-A82 VanDerWaalsContact CA-O 3.27Å; V51-A82 WeakPolarHBondContact CA-O 3.48Å; V51-A82 HydrophobicContact CG1-CB 4.05Å; S52-A82 PolarHBondContact N-O 3.32Å; V71-A82 HydrophobicContact CB-CB 3.83Å; V71-A82 HydrophobicContact CG2-CB 4.13Å; D72-A82 CarbonylContact O-C 3.57Å; D72-A82 VanDerWaalsContact O-CA 3.27Å; D72-A82 WeakPolarHBondContact O-CA 3.28Å; D72-A82 WeakPolarHBondContact O-CB 3.11Å
83E92.8Very high87.8Confident78 Ų7875 Ų7536%0.36436%0.364SS..EExtended strand (participates in β ladder)trans-114.8141.3170.5178.7167.3-156.400110.8S52 P54 V71 D72 I74 S85S52-E83 WeakPolarHBondContact O-CA 3.25Å; P54-E83 WeakPolarHBondContact CA-OE1 3.48Å; P54-E83 WeakPolarHBondContact CB-OE1 3.44Å; P54-E83 HydrophobicContact CG-CG 3.81Å; P54-E83 WeakPolarHBondContact CG-OE1 3.34Å; V71-E83 CarbonylContact C-O 3.59Å; V71-E83 VanDerWaalsContact CA-O 3.26Å; V71-E83 WeakPolarHBondContact CA-O 3.43Å; D72-E83 PolarHBondContact N-O 3.38Å; D72-E83 PolarHBondContact O-N 3.33Å; I74-E83 HydrophobicContact CD1-CB 4.01Å; E83-S85 PolarHBondContact O-N 3.08Å
84I93.1Very high87.6Confident0 Ų076.2 Ų76.20%036%0.362CS..EExtended strand (participates in β ladder)trans-74.7112.4179.2-62.9168.3000109.8V51 S52 M53 P54 I63 V69 I70 V71 I87V51-I84 HydrophobicContact CB-CG1 4.18Å; V51-I84 HydrophobicContact CG2-CD1 3.81Å; V51-I84 HydrophobicContact CG2-CG1 3.76Å; S52-I84 PolarHBondContact O-N 2.98Å; M53-I84 HydrophobicContact CB-CD1 4.33Å; M53-I84 HydrophobicContact CG-CD1 4.43Å; P54-I84 WeakPolarHBondContact CD-O 3.22Å; P54-I84 WeakPolarHBondContact CG-O 3.33Å; I63-I84 HydrophobicContact CD1-CD1 3.82Å; V69-I84 HydrophobicContact CB-CG2 4.06Å; V69-I84 HydrophobicContact CG1-CG2 4.25Å; V69-I84 HydrophobicContact CG2-CG1 4.35Å; I70-I84 CarbonylContact O-C 3.58Å; V71-I84 HydrophobicContact CG1-CG1 4.29Å; I84-I87 HydrophobicContact CG2-CG1 4.16Å
85S90.1Very high87.5Confident18 Ų1876.7 Ų76.713%0.12636%0.36CS..EExtended strand (participates in β ladder)trans-79.6-45.8176.6-146.50000111.9Q25 K56 F57 I70 D72 E83Q25-S85 PolarHBondContact NE2-OG 2.85Å; K56-S85 PolarHBondContact NZ-O 3.03Å; F57-S85 VanDerWaalsContact CE2-O 3.28Å; F57-S85 WeakPolarHBondContact CE2-O 3.42Å; F57-S85 WeakPolarHBondContact CZ-O 2.77Å; I70-S85 PolarHBondContact O-N 2.95Å; D72-S85 WeakPolarHBondContact OD2-CB 2.99Å; D72-S85 PolarHBondContact OD2-OG 2.85Å; E83-S85 PolarHBondContact O-N 3.08Å
86F89.3Confident87.8Confident41 Ų4167.2 Ų67.218%0.1832%0.316CS..EExtended strand (participates in β ladder)trans-145.6153.3-174.4-80.4-80.4000112.9I19 V69 I70I19-F86 HydrophobicContact CD1-CD1 3.26Å; I19-F86 HydrophobicContact CD1-CD2 3.81Å; I19-F86 HydrophobicContact CD1-CE1 3.11Å; I19-F86 HydrophobicContact CD1-CE2 3.67Å; I19-F86 HydrophobicContact CD1-CG 3.61Å; I19-F86 HydrophobicContact CD1-CZ 3.32Å; I19-F86 HydrophobicContact CG1-CE1 4.39Å; I19-F86 HydrophobicContact CG1-CE2 4.39Å; I19-F86 HydrophobicContact CG1-CZ 4.22Å; V69-F86 WeakPolarHBondContact CA-O 3.44Å; I70-F86 HydrophobicContact CB-CB 4.23Å; I70-F86 HydrophobicContact CD1-CB 4.37Å; I70-F86 PolarHBondContact N-O 3.03Å; I70-F86 PolarHBondContact O-N 2.81Å
87I90.6Very high87.8Confident3 Ų361.4 Ų61.42%0.01529%0.289CS..EExtended strand (participates in β ladder)trans-112127.5-179.8-59.2161.1000107.4V14 M53 F57 I61 I63 V69 I84V14-I87 HydrophobicContact CG1-CB 4.33Å; M53-I87 HydrophobicContact CE-CD1 3.97Å; F57-I87 HydrophobicContact CD2-CD1 4.21Å; F57-I87 HydrophobicContact CE2-CD1 4.5Å; F57-I87 HydrophobicContact CG-CD1 4.25Å; I61-I87 HydrophobicContact CB-CD1 4.03Å; I61-I87 HydrophobicContact CD1-CD1 3.94Å; I61-I87 HydrophobicContact CG2-CD1 3.55Å; I63-I87 HydrophobicContact CD1-CD1 3.96Å; I63-I87 HydrophobicContact CD1-CG1 4.1Å; I63-I87 HydrophobicContact CG1-CD1 4.04Å; I63-I87 HydrophobicContact CG1-CG1 4.38Å; V69-I87 HydrophobicContact CG1-CB 4.49Å; V69-I87 HydrophobicContact CG1-CG1 4.2Å; V69-I87 HydrophobicContact CG1-CG2 4.41Å; I84-I87 HydrophobicContact CG2-CG1 4.16Å
88L90.1Very high88.3Confident11 Ų1168.2 Ų68.26%0.05831%0.312CS..EExtended strand (participates in β ladder)trans-98.1126-174.1-63.1171.9000110.6I27 Y68 I70 H92 I93 L96 W102I27-L88 HydrophobicContact CG1-CD1 4.31Å; I27-L88 HydrophobicContact CG2-CD1 4.16Å; Y68-L88 WeakPolarHBondContact O-CB 3.37Å; Y68-L88 PolarHBondContact O-N 2.88Å; I70-L88 HydrophobicContact CD1-CD1 4.43Å; I70-L88 HydrophobicContact CD1-CD2 4Å; I70-L88 HydrophobicContact CD1-CG 4.46Å; I70-L88 HydrophobicContact CG1-CD1 3.86Å; I70-L88 HydrophobicContact CG1-CD2 4.17Å; I70-L88 HydrophobicContact CG1-CG 4.07Å; L88-H92 HydrophobicContact CB-CB 4.47Å; L88-H92 HydrophobicContact CD2-CB 3.77Å; L88-I93 HydrophobicContact CB-CG1 4.39Å; L88-L96 HydrophobicContact CD1-CD1 4.01Å; L88-L96 HydrophobicContact CD2-CD1 3.95Å; L88-W102 HydrophobicContact CD1-CZ3 4.06Å
89Y89.7Confident88.5Confident90 Ų9064.8 Ų64.835%0.35330%0.295SS..  trans-96.6171.3170-65.6-68.7000110.9V14 L15 D91 H92 I93V14-Y89 HydrophobicContact CG1-CD2 4.37Å; V14-Y89 HydrophobicContact CG1-CE2 3.63Å; L15-Y89 HydrophobicContact CD2-CD2 3.8Å; L15-Y89 HydrophobicContact CD2-CE2 3.62Å; L15-Y89 HydrophobicContact CG-CE2 4.4Å; Y89-D91 PolarHBondContact O-N 3.18Å; Y89-H92 AromaticContact CD2-CE1 3.79Å; Y89-H92 PolarHBondContact N-ND1 3.08Å; Y89-H92 WeakPolarHBondContact O-CB 3.26Å; Y89-H92 PolarHBondContact O-N 2.79Å; Y89-I93 WeakPolarHBondContact O-CG1 2.9Å; Y89-I93 PolarHBondContact O-N 2.9Å
90K87.4Confident88.2Confident157 Ų15765.5 Ų65.568%0.68330%0.301SS*.Hα-helixtrans-50.6-42.6179.9-63-172.6177.3-168.70112.5H92 I93 Q94K90-H92 VanDerWaalsContact C-N 3.35Å; K90-H92 PolarHBondContact O-N 3.4Å; K90-I93 PolarHBondContact O-N 3.24Å; K90-Q94 WeakPolarHBondContact O-CG 3.39Å; K90-Q94 PolarHBondContact O-N 3.14Å
91D87.8Confident87.7Confident104 Ų10467.4 Ų67.456%0.55631%0.31SS*.Hα-helixtrans-65.1-38.4-179.3-58.7-7.7000112.1F18 Y89 Y95F18-D91 HydrophobicContact CE1-CB 4.49Å; Y89-D91 PolarHBondContact O-N 3.18Å; D91-Y95 WeakPolarHBondContact O-CB 3.41Å; D91-Y95 PolarHBondContact O-N 3.43Å
92H86.9Confident87.4Confident13 Ų1363.2 Ų63.26%0.0629%0.291CS..Hα-helixtrans-69.1-38.9175.6-52.2155.9000111.4V14 F18 L88 Y89 K90 Y95 L96V14-H92 PolarHBondContact O-CE1 2.95Å; F18-H92 AromaticContact CD1-CD2 3.74Å; F18-H92 AromaticContact CE1-CD2 3.77Å; L88-H92 HydrophobicContact CB-CB 4.47Å; L88-H92 HydrophobicContact CD2-CB 3.77Å; Y89-H92 AromaticContact CD2-CE1 3.79Å; Y89-H92 PolarHBondContact N-ND1 3.08Å; Y89-H92 WeakPolarHBondContact O-CB 3.26Å; Y89-H92 PolarHBondContact O-N 2.79Å; K90-H92 VanDerWaalsContact C-N 3.35Å; K90-H92 PolarHBondContact O-N 3.4Å; H92-Y95 PolarHBondContact O-N 3.47Å; H92-L96 WeakPolarHBondContact O-CB 3.34Å; H92-L96 VanDerWaalsContact O-CG 3.3Å; H92-L96 WeakPolarHBondContact O-CG 3.33Å; H92-L96 PolarHBondContact O-N 3.25Å
93I87.2Confident86.9Confident11 Ų1164.7 Ų64.76%0.05630%0.301CS..Hα-helixtrans-62.1-46.8177.3-61.2168.8000109.6Y68 L88 Y89 K90 Y95 L96 Q97 W102Y68-I93 HydrophobicContact CD2-CD1 3.54Å; Y68-I93 HydrophobicContact CE2-CD1 4.1Å; Y68-I93 HydrophobicContact CG-CD1 4.3Å; L88-I93 HydrophobicContact CB-CG1 4.39Å; Y89-I93 WeakPolarHBondContact O-CG1 2.9Å; Y89-I93 PolarHBondContact O-N 2.9Å; K90-I93 PolarHBondContact O-N 3.24Å; I93-Y95 VanDerWaalsContact C-N 3.3Å; I93-Y95 PolarHBondContact O-N 3.38Å; I93-L96 PolarHBondContact O-N 3.35Å; I93-Q97 HydrophobicContact CG2-CG 4.35Å; I93-Q97 WeakPolarHBondContact O-CB 3.27Å; I93-Q97 VanDerWaalsContact O-CG 3.26Å; I93-Q97 WeakPolarHBondContact O-CG 3.46Å; I93-Q97 PolarHBondContact O-N 2.9Å; I93-W102 HydrophobicContact CB-CH2 4.24Å; I93-W102 HydrophobicContact CB-CZ3 4.19Å; I93-W102 HydrophobicContact CD1-CH2 4.07Å; I93-W102 HydrophobicContact CG1-CH2 3.64Å; I93-W102 HydrophobicContact CG1-CZ2 4.43Å; I93-W102 HydrophobicContact CG1-CZ3 3.79Å; I93-W102 HydrophobicContact CG2-CD2 4.14Å; I93-W102 HydrophobicContact CG2-CE3 4.08Å; I93-W102 HydrophobicContact CG2-CH2 3.76Å; I93-W102 HydrophobicContact CG2-CZ2 3.81Å; I93-W102 HydrophobicContact CG2-CZ3 3.9Å
94Q87Confident86Confident105 Ų10568.9 Ų68.949%0.49132%0.32SS..Hα-helixtrans-60.3-40.2175.6-70.2176.812.500112.2K90 K98K90-Q94 WeakPolarHBondContact O-CG 3.39Å; K90-Q94 PolarHBondContact O-N 3.14Å; Q94-K98 WeakPolarHBondContact O-CG 2.91Å; Q94-K98 PolarHBondContact O-N 3.07Å
95Y86.8Confident85Confident82 Ų8270.9 Ų70.932%0.32234%0.341SS..Hα-helixtrans-63.7-47.5175.2-180-100.5000111.8F18 D91 H92 I93 Q97 K98 Q99F18-Y95 HydrophobicContact CB-CD1 4.17Å; F18-Y95 HydrophobicContact CB-CE1 4.15Å; F18-Y95 HydrophobicContact CD1-CD1 4.38Å; F18-Y95 HydrophobicContact CD1-CG 4.08Å; D91-Y95 WeakPolarHBondContact O-CB 3.41Å; D91-Y95 PolarHBondContact O-N 3.43Å; H92-Y95 PolarHBondContact O-N 3.47Å; I93-Y95 VanDerWaalsContact C-N 3.3Å; I93-Y95 PolarHBondContact O-N 3.38Å; Y95-Q97 VanDerWaalsContact C-N 3.33Å; Y95-Q97 PolarHBondContact O-N 3.08Å; Y95-K98 WeakPolarHBondContact O-CB 3.34Å; Y95-K98 PolarHBondContact O-N 3.48Å; Y95-Q99 HydrophobicContact CD1-CG 4.36Å; Y95-Q99 HydrophobicContact CE1-CG 3.98Å; Y95-Q99 HydrophobicContact CE2-CG 4.38Å; Y95-Q99 WeakPolarHBondContact O-CG 3.27Å; Y95-Q99 PolarHBondContact O-N 3.06Å
96L85.8Confident84.4Confident2 Ų270.2 Ų70.21%0.0134%0.335CS..Hα-helixtrans-64-36.7178.4-72.1166.5000112.5P21 I27 L88 H92 I93 Q99 Q100 L101 W102P21-L96 HydrophobicContact CG-CD2 4.38Å; I27-L96 HydrophobicContact CD1-CD1 4.23Å; L88-L96 HydrophobicContact CD1-CD1 4.01Å; L88-L96 HydrophobicContact CD2-CD1 3.95Å; H92-L96 WeakPolarHBondContact O-CB 3.34Å; H92-L96 VanDerWaalsContact O-CG 3.3Å; H92-L96 WeakPolarHBondContact O-CG 3.33Å; H92-L96 PolarHBondContact O-N 3.25Å; I93-L96 PolarHBondContact O-N 3.35Å; L96-Q99 CarbonylContact O-C 3.57Å; L96-Q99 PolarHBondContact O-N 3.21Å; L96-Q100 PolarHBondContact O-N 3.38Å; L96-Q100 VanDerWaalsContact O-N 3.1Å; L96-L101 HydrophobicContact CD2-CB 4.31Å; L96-L101 PolarHBondContact O-N 3.02Å; L96-L101 VanDerWaalsContact O-N 3.08Å; L96-W102 HydrophobicContact CB-CE3 4.02Å; L96-W102 HydrophobicContact CD1-CE3 4.08Å; L96-W102 HydrophobicContact CD1-CZ3 4.11Å
97Q85.3Confident83.4Confident66 Ų6673.5 Ų73.531%0.30835%0.353SS..Hα-helixtrans-63-43.7173.2-75.7173.4-8.900111.6I93 Y95 Q99 Q100 W102I93-Q97 HydrophobicContact CG2-CG 4.35Å; I93-Q97 WeakPolarHBondContact O-CB 3.27Å; I93-Q97 VanDerWaalsContact O-CG 3.26Å; I93-Q97 WeakPolarHBondContact O-CG 3.46Å; I93-Q97 PolarHBondContact O-N 2.9Å; Y95-Q97 VanDerWaalsContact C-N 3.33Å; Y95-Q97 PolarHBondContact O-N 3.08Å; Q97-Q99 VanDerWaalsContact C-N 3.25Å; Q97-Q99 PolarHBondContact O-N 3.01Å; Q97-Q100 PolarHBondContact O-N 3.05Å; Q97-Q100 VanDerWaalsContact O-N 3.08Å; Q97-W102 HydrophobicContact CG-CB 3.89Å; Q97-W102 HydrophobicContact CG-CD2 4.41Å; Q97-W102 HydrophobicContact CG-CG 3.85Å
98K86Confident81.9Confident168 Ų16880.9 Ų80.973%0.7339%0.387SS*.Hα-helixtrans-61.9-33.9174.5-73.3173-177.5175.60112.4Q94 Y95 Q100Q94-K98 WeakPolarHBondContact O-CG 2.91Å; Q94-K98 PolarHBondContact O-N 3.07Å; Y95-K98 WeakPolarHBondContact O-CB 3.34Å; Y95-K98 PolarHBondContact O-N 3.48Å; K98-Q100 VanDerWaalsContact C-N 3.3Å
99Q83.4Confident80.4Confident102 Ų10284.4 Ų84.448%0.47740%0.403SS..THydrogen-bonded Turntrans-83.1-0.5176.7-61.7-63.1-27.200113.5Y95 L96 Q97 L101Y95-Q99 HydrophobicContact CD1-CG 4.36Å; Y95-Q99 HydrophobicContact CE1-CG 3.98Å; Y95-Q99 HydrophobicContact CE2-CG 4.38Å; Y95-Q99 WeakPolarHBondContact O-CG 3.27Å; Y95-Q99 PolarHBondContact O-N 3.06Å; L96-Q99 CarbonylContact O-C 3.57Å; L96-Q99 PolarHBondContact O-N 3.21Å; Q97-Q99 VanDerWaalsContact C-N 3.25Å; Q97-Q99 PolarHBondContact O-N 3.01Å; Q99-L101 HydrophobicContact CB-CD1 4.25Å; Q99-L101 HydrophobicContact CB-CG 4.32Å; Q99-L101 PolarHBondContact O-N 3.26Å
100Q78.6Confident78.9Confident177 Ų17783.2 Ų83.283%0.82740%0.401SS*.THydrogen-bonded Turntrans57.523.1-176.1-60.9-177.8-16.900115.1L96 Q97 K98L96-Q100 PolarHBondContact O-N 3.38Å; L96-Q100 VanDerWaalsContact O-N 3.1Å; Q97-Q100 PolarHBondContact O-N 3.05Å; Q97-Q100 VanDerWaalsContact O-N 3.08Å; K98-Q100 VanDerWaalsContact C-N 3.3Å
101L80.5Confident77.2Confident80 Ų8079.6 Ų79.642%0.41940%0.395SS..  trans-97.17.5177.5-64.8173.2000112.7T20 L96 Q99T20-L101 HydrophobicContact CG2-CD1 3.34Å; L96-L101 HydrophobicContact CD2-CB 4.31Å; L96-L101 PolarHBondContact O-N 3.02Å; L96-L101 VanDerWaalsContact O-N 3.08Å; Q99-L101 HydrophobicContact CB-CD1 4.25Å; Q99-L101 HydrophobicContact CB-CG 4.32Å; Q99-L101 PolarHBondContact O-N 3.26Å
102W84.7Confident75.5Confident18 Ų1878.3 Ų78.37%0.06840%0.395CS..SBendtrans-84.9130.5179.9-169.5-101.3000110.9I27 Y68 L88 I93 L96 Q97 E104 F106I27-W102 HydrophobicContact CD1-CE3 4.17Å; I27-W102 HydrophobicContact CD1-CZ3 4.31Å; I27-W102 HydrophobicContact CG2-CH2 4.15Å; I27-W102 HydrophobicContact CG2-CZ3 4.04Å; Y68-W102 AromaticContact CD1-CH2 3.67Å; Y68-W102 HydrophobicContact CD1-CH2 3.67Å; Y68-W102 AromaticContact CD1-CZ2 3.83Å; Y68-W102 HydrophobicContact CD1-CZ2 3.83Å; Y68-W102 HydrophobicContact CD2-CH2 4.06Å; Y68-W102 HydrophobicContact CD2-CZ2 4.35Å; Y68-W102 HydrophobicContact CE1-CH2 4.13Å; Y68-W102 AromaticContact CE1-CZ2 3.79Å; Y68-W102 HydrophobicContact CE1-CZ2 3.79Å; Y68-W102 HydrophobicContact CE2-CH2 4.49Å; Y68-W102 HydrophobicContact CE2-CZ2 4.32Å; Y68-W102 AromaticContact CG-CH2 3.62Å; Y68-W102 HydrophobicContact CG-CH2 3.62Å; Y68-W102 HydrophobicContact CG-CZ2 4.1Å; L88-W102 HydrophobicContact CD1-CZ3 4.06Å; I93-W102 HydrophobicContact CB-CH2 4.24Å; I93-W102 HydrophobicContact CB-CZ3 4.19Å; I93-W102 HydrophobicContact CD1-CH2 4.07Å; I93-W102 HydrophobicContact CG1-CH2 3.64Å; I93-W102 HydrophobicContact CG1-CZ2 4.43Å; I93-W102 HydrophobicContact CG1-CZ3 3.79Å; I93-W102 HydrophobicContact CG2-CD2 4.14Å; I93-W102 HydrophobicContact CG2-CE3 4.08Å; I93-W102 HydrophobicContact CG2-CH2 3.76Å; I93-W102 HydrophobicContact CG2-CZ2 3.81Å; I93-W102 HydrophobicContact CG2-CZ3 3.9Å; L96-W102 HydrophobicContact CB-CE3 4.02Å; L96-W102 HydrophobicContact CD1-CE3 4.08Å; L96-W102 HydrophobicContact CD1-CZ3 4.11Å; Q97-W102 HydrophobicContact CG-CB 3.89Å; Q97-W102 HydrophobicContact CG-CD2 4.41Å; Q97-W102 HydrophobicContact CG-CG 3.85Å; W102-E104 PolarHBondContact O-N 3.36Å; W102-F106 HydrophobicContact CZ2-CB 3.89Å
103P81Confident73.9Confident33 Ų3382 Ų8221%0.21441%0.412CS..  trans-67.3132-179.9-13.926.8000111.4I27 A44 G105 F106I27-P103 HydrophobicContact CB-CG 3.99Å; I27-P103 HydrophobicContact CD1-CG 4.27Å; I27-P103 HydrophobicContact CG2-CG 4.36Å; A44-P103 HydrophobicContact CB-CB 3.86Å; P103-G105 VanDerWaalsContact C-N 3.26Å; P103-G105 PolarHBondContact O-N 3.44Å; P103-F106 HydrophobicContact CB-CD2 3.75Å; P103-F106 HydrophobicContact CB-CE2 4.15Å; P103-F106 HydrophobicContact CG-CD2 3.7Å; P103-F106 HydrophobicContact CG-CE2 3.96Å; P103-F106 PolarHBondContact O-N 3.46Å; P103-F106 VanDerWaalsContact O-N 3.07Å
104E74.4Confident72.1Confident166 Ų16687.3 Ų87.378%0.77644%0.44SS*.G310 helixtrans-58.6-36.4-177.9-170.3172.2-167.500112.7W102 F106 M107W102-E104 PolarHBondContact O-N 3.36Å; E104-F106 PolarHBondContact O-N 2.93Å; E104-M107 WeakPolarHBondContact O-CB 3.27Å; E104-M107 PolarHBondContact O-N 2.74Å
105G73.2Confident70.2Confident41 Ų4189.9 Ų89.942%0.42345%0.45SS..G310 helixtrans-59.3-15.9177.700000114.9P103P103-G105 VanDerWaalsContact C-N 3.26Å; P103-G105 PolarHBondContact O-N 3.44Å
106F77.3Confident67.9Low4 Ų491.4 Ų91.42%0.01847%0.468CS..G310 helixtrans-101.4-10.3174.8-61.7-55.1000114I27 K29 A44 Y68 W102 P103 E104I27-F106 HydrophobicContact CG2-CD2 4.36Å; I27-F106 HydrophobicContact CG2-CE2 4.18Å; I27-F106 WeakPolarHBondContact O-CE2 3.3Å; K29-F106 HydrophobicContact CB-CD1 4.22Å; K29-F106 HydrophobicContact CB-CE1 3.59Å; K29-F106 HydrophobicContact CB-CZ 4.19Å; A44-F106 HydrophobicContact CB-CD2 4.39Å; A44-F106 HydrophobicContact CB-CE2 3.86Å; A44-F106 HydrophobicContact CB-CZ 4.17Å; Y68-F106 HydrophobicContact CD1-CD1 4.47Å; Y68-F106 HydrophobicContact CD1-CG 4.37Å; Y68-F106 HydrophobicContact CE1-CB 3.86Å; Y68-F106 AromaticContact CE1-CD1 3.66Å; Y68-F106 HydrophobicContact CE1-CD1 3.66Å; Y68-F106 HydrophobicContact CE1-CD2 4.31Å; Y68-F106 HydrophobicContact CE1-CE1 4.25Å; Y68-F106 AromaticContact CE1-CG 3.68Å; Y68-F106 HydrophobicContact CE1-CG 3.68Å; W102-F106 HydrophobicContact CZ2-CB 3.89Å; P103-F106 HydrophobicContact CB-CD2 3.75Å; P103-F106 HydrophobicContact CB-CE2 4.15Å; P103-F106 HydrophobicContact CG-CD2 3.7Å; P103-F106 HydrophobicContact CG-CE2 3.96Å; P103-F106 PolarHBondContact O-N 3.46Å; P103-F106 VanDerWaalsContact O-N 3.07Å; E104-F106 PolarHBondContact O-N 2.93Å
107M67.1Low65.8Low110 Ų11096.6 Ų96.654%0.54250%0.504SS..Hα-helixtrans-69.8-37.3177.9-66.9-179.362.500111.6E104E104-M107 WeakPolarHBondContact O-CB 3.27Å; E104-M107 PolarHBondContact O-N 2.74Å
108E60.6Low63.8Low159 Ų15998 Ų9874%0.74352%0.521SS*.Hα-helixtrans-70.2-38.3-175-155.2169.1-160.600112.2Q110 S111E108-Q110 PolarHBondContact O-N 2.9Å; E108-S111 PolarHBondContact O-N 2.99Å; E108-S111 PolarHBondContact O-OG 3.3Å
109E58.1Low61.5Low84 Ų8498.7 Ų98.739%0.39353%0.525SS..Hα-helixtrans-67.8-29.3178.9-87-170.3119.800114.2K29 S111 S112 Q113K29-E109 VanDerWaalsContact CD-OE2 3.27Å; K29-E109 WeakPolarHBondContact CD-OE2 3.41Å; K29-E109 IonicContact NZ-OE1 2.71Å; K29-E109 PolarHBondContact NZ-OE1 3.26Å; K29-E109 IonicContact NZ-OE2 2.76Å; K29-E109 PolarHBondContact NZ-OE2 3.43Å; E109-S111 PolarHBondContact O-N 2.88Å; E109-S112 PolarHBondContact O-N 2.9Å; E109-S112 VanDerWaalsContact O-N 3.1Å; E109-Q113 PolarHBondContact O-N 2.81Å
110Q57.4Low59.4Low65 Ų65102.8 Ų102.830%0.30454%0.543SS..Hα-helixtrans-62.7-33.5179.9-68.4-156.1-47.400111.9E108 S112E108-Q110 PolarHBondContact O-N 2.9Å; Q110-S112 PolarHBondContact O-N 3.33Å
111S52.5Low57.8Low81 Ų81103 Ų10357%0.56655%0.545SS*.Hα-helixtrans-63.7-23.4177.473.70000113.8E108 E109E108-S111 PolarHBondContact O-N 2.99Å; E108-S111 PolarHBondContact O-OG 3.3Å; E109-S111 PolarHBondContact O-N 2.88Å
112S52.2Low56Low78 Ų78109 Ų10955%0.54557%0.571SS.*Hα-helixtrans-97.7-29.1-174-630000113.2E109 Q110E109-S112 PolarHBondContact O-N 2.9Å; E109-S112 VanDerWaalsContact O-N 3.1Å; Q110-S112 PolarHBondContact O-N 3.33Å
113Q52.4Low53.8Low91 Ų91112 Ų11243%0.42560%0.599SS.*Hα-helixtrans-82.2-22-177.8-83.8-176.3-77.500114.5E109 K115E109-Q113 PolarHBondContact O-N 2.81Å; Q113-K115 PolarHBondContact O-N 2.87Å
114D50.5Low51.8Low121 Ų121119.8 Ų119.865%0.64763%0.633SS**THydrogen-bonded Turntrans-74.5-10.2175.9-95.6-41.1000113.7S118D114-S118 PolarHBondContact O-OG 3.08Å
115K45.6Very low49.9Very low160 Ų160115.2 Ų115.270%0.69663%0.63SS**THydrogen-bonded Turntrans-89.4-8.4-179.5-73-170.6176.6-179.40115.4Q113Q113-K115 PolarHBondContact O-N 2.87Å
116T38.9Very low48.4Very low114 Ų114124.4 Ų124.470%0.69965%0.652SS**SBendtrans-107.43.4-174.773.40000114.1
117S42Very low46.5Very low110 Ų110131 Ų13177%0.76969%0.687SS**SBendtrans-108.65.6175.1-55.50000113.3
118S43Very low44.9Very low95 Ų95133.1 Ų133.166%0.66470%0.701SS**SBendtrans-136.623.9-172.438.70000112.7D114D114-S118 PolarHBondContact O-OG 3.08Å
119K38.9Very low44.1Very low184 Ų184133.9 Ų133.980%0.871%0.705SS**  trans-126.353.2-177.6-160.5167-178.5174.10112.8
120E38.9Very low43.1Very low187 Ų187139.2 Ų139.287%0.87473%0.73SS**SBendtrans-138.177.3152.4-66.2-179.8-176.600102.4
121E43.7Very low42.5Very low183 Ų183145.5 Ų145.586%0.85576%0.759SS**SBend172.9112.6115.9-85.2167.9-16500103.8
122E43.4Very low41.7Very low206 Ų206145.4 Ų145.496%0.96377%0.771SS**  trans-179.590.2153.9-88.8-152.3159.100105.6
123A39Very low41.1Very low81 Ų81147.4 Ų147.467%0.66979%0.785SS**  trans-137.7114.3168.600000108.5
124E39.3Very low40.6Very low196 Ų196150.2 Ų150.292%0.91680%0.803SS**  trans80.6131.8150.2-25.8-153.5175.800115.7
125G33.6Very low40.4Very low70 Ų70148.4 Ų148.472%0.72280%0.8SS**  cis-162.4148.44.800000108.5
126R41.9Very low40.8Very low233 Ų233149.6 Ų149.688%0.87981%0.808SS**  59.9114.996-167.1164.6-175.2168.80.2116.4
127D37.3Very low41.8Very low142 Ų142150.9 Ų150.976%0.75981%0.81SS**  trans44.9124.7158.2-86.423.9000119.6
128D34Very low42.4Very low156 Ų156151.8 Ų151.883%0.83481%0.806SS**  -176.7148.296.6-148.1-136.2000109.9
129E44.2Very low43.4Very low175 Ų175151.6 Ų151.682%0.81880%0.798SS**  trans-73.4144.8175.8-56.6178.6160.600110.8
130E36.1Very low44.5Very low196 Ų196147.9 Ų147.992%0.91680%0.795SS**  trans179.5147.4138-86.4-122.8158.400111.1
131E45.1Very low45.8Very low197 Ų197145.9 Ų145.992%0.92179%0.79SS**  trans-75147.7-172.2-55.8-149.4163.200114
132G35.4Very low47.4Very low79 Ų79142.1 Ų142.181%0.81478%0.776SS**  trans-171.292.6177.700000114.3
133S41Very low48.7Very low120 Ų120141.8 Ų141.884%0.83977%0.771SS**  trans-37.4136170.1-167.40000118.3
134D40.7Very low50.2Low150 Ų150144.1 Ų144.180%0.80278%0.777SS**  trans77.7129.2135.5-152.527.5000122.7
135S46.7Very low51.8Low83 Ų83139.8 Ų139.858%0.5876%0.76SS**  trans80.5103.2143.8-173.40000121.7
136E53.5Low53.9Low185 Ų185142.9 Ų142.986%0.86477%0.765SS**SBendtrans77.5112.7132.5-59.3-169.6157.500120.7
137D60.2Low55.6Low141 Ų141139.3 Ų139.375%0.75476%0.763SS**  trans66.268.9160.3-136.234.3000116.6D139D137-D139 VanDerWaalsContact C-N 3.26Å; D137-D139 PolarHBondContact O-N 3.16Å
138D55.5Low57.5Low129 Ų129142.6 Ų142.669%0.6977%0.765SS**  trans-7774.6173.1-168.326.9000111.3S140D138-S140 PolarHBondContact O-N 2.93Å; D138-S140 WeakPolarHBondContact OD1-CB 3.47Å; D138-S140 PolarHBondContact OD1-N 2.92Å; D138-S140 PolarHBondContact OD1-OG 2.9Å
139D62.4Low59.1Low91 Ų91140.1 Ų140.149%0.48776%0.759SS.*G310 helixtrans-73.613.1168.5-92.9-24.2000112.3D137 D141 L142D137-D139 VanDerWaalsContact C-N 3.26Å; D137-D139 PolarHBondContact O-N 3.16Å; D139-D141 PolarHBondContact O-N 3.15Å; D139-D141 VanDerWaalsContact O-N 3.14Å; D139-L142 HydrophobicContact CB-CD1 3.79Å; D139-L142 HydrophobicContact CB-CG 4.13Å; D139-L142 WeakPolarHBondContact O-CB 3.36Å; D139-L142 PolarHBondContact O-N 3.01Å; D139-L142 VanDerWaalsContact OD1-CD1 3.24Å; D139-L142 WeakPolarHBondContact OD1-CD1 3.48Å
140S63Low60.3Low105 Ų105138.4 Ų138.473%0.73476%0.755SS**G310 helixtrans-64.3-15.2178.1-53.80000113.4D138D138-S140 PolarHBondContact O-N 2.93Å; D138-S140 WeakPolarHBondContact OD1-CB 3.47Å; D138-S140 PolarHBondContact OD1-N 2.92Å; D138-S140 PolarHBondContact OD1-OG 2.9Å
141D66.3Low61.6Low146 Ų146139.1 Ų139.178%0.78175%0.751SS**G310 helixtrans-92.43.4175.1-132.513.4000112.9D139 F143D139-D141 PolarHBondContact O-N 3.15Å; D139-D141 VanDerWaalsContact O-N 3.14Å; D141-F143 PolarHBondContact O-N 3Å
142L75.9Confident62.1Low104 Ų104138.1 Ų138.155%0.54575%0.747SS.*SBendtrans-79116.5171.5-68.3-176.6000110.6D139 V144D139-L142 HydrophobicContact CB-CD1 3.79Å; D139-L142 HydrophobicContact CB-CG 4.13Å; D139-L142 WeakPolarHBondContact O-CB 3.36Å; D139-L142 PolarHBondContact O-N 3.01Å; D139-L142 VanDerWaalsContact OD1-CD1 3.24Å; D139-L142 WeakPolarHBondContact OD1-CD1 3.48Å; L142-V144 PolarHBondContact O-N 3.12Å
143F71.2Confident63Low198 Ų198144.1 Ų144.187%0.86875%0.746SS**  trans-51.4114175.8-39.3-84.8000111.3D141 N145D141-F143 PolarHBondContact O-N 3Å; F143-N145 PolarHBondContact O-N 3.35Å
144V71.2Confident63.6Low130 Ų130143.3 Ų143.379%0.78874%0.74SS**  trans-71.6113.3178.1-174.20000109.2L142 T146L142-V144 PolarHBondContact O-N 3.12Å; V144-T146 PolarHBondContact O-N 3.5Å
145N73.3Confident63.9Low106 Ų106143.8 Ų143.857%0.56774%0.738SS**  trans-67.1103.1177.2-175.6-3.2000110.7F143 N147 R148F143-N145 PolarHBondContact O-N 3.35Å; N145-N147 PolarHBondContact O-N 3.43Å; N145-N147 VanDerWaalsContact O-N 3.14Å; N145-N147 PolarHBondContact OD1-N 3.29Å; N145-R148 WeakPolarHBondContact O-CB 3.4Å; N145-R148 PolarHBondContact O-N 2.98Å
146T76.4Confident63.8Low135 Ų135144.2 Ų144.283%0.82874%0.741SS**THydrogen-bonded Turntrans-68.1-11.1-175.4-15.40000113.8V144 R148V144-T146 PolarHBondContact O-N 3.5Å; T146-R148 VanDerWaalsContact C-N 3.26Å
147N79.1Confident63.6Low157 Ų157144.3 Ų144.384%0.8474%0.741SS**THydrogen-bonded Turntrans-82.1-2.2172.5-70.5-26.5000113.1N145N145-N147 PolarHBondContact O-N 3.43Å; N145-N147 VanDerWaalsContact O-N 3.14Å; N145-N147 PolarHBondContact OD1-N 3.29Å
148R76.9Confident62.7Low211 Ų211144.5 Ų144.580%0.79674%0.742SS**SBendtrans-98.1118.1174.8-164.2172.5-170.8176.30.3109.3N145 T146 N150N145-R148 WeakPolarHBondContact O-CB 3.4Å; N145-R148 PolarHBondContact O-N 2.98Å; T146-R148 VanDerWaalsContact C-N 3.26Å; R148-N150 PolarHBondContact O-N 3.29Å
149C68Low62.3Low105 Ų105147.6 Ų147.671%0.70975%0.753SS**  trans-66.4117.2174.7-171.90000109.4Y151C149-Y151 PolarHBondContact O-N 3.02Å
150N69.1Low61.3Low138 Ų138151 Ų15174%0.73877%0.771SS**  trans-79.1112.2178.5-166.632.8000109.3R148R148-N150 PolarHBondContact O-N 3.29Å
151Y62.4Low60.1Low212 Ų212152.5 Ų152.583%0.83177%0.77SS**  trans-88.1108.1171.1-97.2-96.5000108.2C149 Y153C149-Y151 PolarHBondContact O-N 3.02Å; Y151-Y153 PolarHBondContact O-N 2.73Å
152Q55.8Low58.9Low176 Ų176150.7 Ų150.782%0.82277%0.765SS**  trans-77.3112.4164-75-167-66.800108.2S154Q152-S154 PolarHBondContact O-N 3.46Å
153Y54Low57.1Low204 Ų204153.8 Ų153.880%0.878%0.776SS**  trans-81.998.8166.2-154.8-99.1000106.7Y151 E155Y151-Y153 PolarHBondContact O-N 2.73Å; Y153-E155 PolarHBondContact O-N 3.1Å
154S54Low55.7Low103 Ų103151.6 Ų151.672%0.7277%0.769SS**  trans-78.4102.5166.647.40000107.1Q152 S156Q152-S154 PolarHBondContact O-N 3.46Å; S154-S156 VanDerWaalsContact C-N 3.3Å; S154-S156 PolarHBondContact O-N 2.8Å
155E47.9Very low54.3Low160 Ų160153 Ų15375%0.74877%0.767SS**  trans-69.392.5168.7-162.1143.882.100107.2Y153 E157Y153-E155 PolarHBondContact O-N 3.1Å; E155-E157 PolarHBondContact O-N 3.35Å
156S43.5Very low52.6Low92 Ų92154.6 Ų154.664%0.64377%0.771SS**  trans-79.7102.417452.90000108.4S154 D158S154-S156 VanDerWaalsContact C-N 3.3Å; S154-S156 PolarHBondContact O-N 2.8Å; S156-D158 VanDerWaalsContact C-N 3.33Å; S156-D158 PolarHBondContact O-N 3.29Å; S156-D158 VanDerWaalsContact O-N 3.09Å
157E48.7Very low51Low188 Ų188155.7 Ų155.788%0.87977%0.767SS**  trans-70.889164.2-64-178.1143.500108.4E155E155-E157 PolarHBondContact O-N 3.35Å
158D41.9Very low49.1Very low145 Ų145154.1 Ų154.178%0.77576%0.759SS**  trans-9599166.4-90.1-69.6000108.6S156S156-D158 VanDerWaalsContact C-N 3.33Å; S156-D158 PolarHBondContact O-N 3.29Å; S156-D158 VanDerWaalsContact O-N 3.09Å
159E46.5Very low47.6Very low194 Ų194152.2 Ų152.291%0.90776%0.758SS**  trans-72.7110.3155.6-81.3-175.2129.900108.3
160D43Very low46.6Very low161 Ų161155.3 Ų155.386%0.86176%0.763SS**  trans-141.8150.6155.4-146.7-63.2000111.2
161N37.8Very low45.6Very low137 Ų137157.4 Ų157.473%0.73377%0.768SS**  trans-105162.6-149.3-176.728.7000110.8
162T39.5Very low44.9Very low108 Ų108156.7 Ų156.766%0.66377%0.769SS**  trans-30160.3-176.7-43.30000121
163E39.2Very low44.4Very low169 Ų169158.9 Ų158.979%0.7977%0.77SS**  trans104139.2153.7-59.6-177.5-176.900115.2
164E41.5Very low44Very low153 Ų153154.3 Ų154.372%0.71576%0.763SS**  cis-170.6158.8-18.9-116.7-177.4-173.600104.2
165E40.8Very low43.5Very low160 Ų160157.7 Ų157.775%0.74877%0.768SS**  trans69.4140.5155.2-71.4-171.1-172.900118.8
166E39.5Very low43.4Very low138 Ų138157.4 Ų157.465%0.64577%0.771SS**  cis-162.8162.92.7-83.5-117.4129.800107.7
167E41.7Very low43.4Very low158 Ų158156.3 Ų156.374%0.73877%0.774SS**  trans20.9139.9146.1-56.3-176.3154.800119.4
168D39.3Very low43.3Very low125 Ų125157 Ų15767%0.66880%0.8SS**  cis-176.8157.137.1-142.8-24.5000110.8
169E45.3Very low43.4Very low170 Ų170157.6 Ų157.679%0.79480%0.801SS**  trans66.9144.9144.4-92.4178.7-164.800127.3
170E46.6Very low43.2Very low171 Ų171155.7 Ų155.780%0.79980%0.796SS**  trans-43.4157179.8-61.4-162.7143.200116.8
171E47.8Very low43.2Very low181 Ų181155.4 Ų155.485%0.84679%0.792SS**  -164.413973.4-80.4-168154.600114.1
172K48.4Very low43.5Very low198 Ų198156.5 Ų156.586%0.86180%0.795SS**  trans-79.1133157.9-66.2177.9176.8175.80109.5
173R45.1Very low43.8Very low222 Ų222159.5 Ų159.584%0.83880%0.804SS**  trans-177.5110.3135.1-110.1161.3167.9-100.3-1112.4
174T45.1Very low44.1Very low107 Ų107158.9 Ų158.966%0.65681%0.805SS**  83.9108.8103.958.30000115.6
175E44.6Very low44.3Very low174 Ų174159.3 Ų159.381%0.81381%0.811SS**  26116.7114.7-165.9162.596.100117.8
176N45.9Very low44.5Very low155 Ų155159.2 Ų159.283%0.82982%0.816SS**  trans168.2129.4132.5-81.6-31.6000106.2
177G44Very low45Very low68 Ų68161 Ų16170%0.70183%0.83SS**  cis105.392.746.400000108.2
178S45.8Very low45.3Very low203 Ų203161.3 Ų161.3100%1.4284%0.839SS**  trans-168.90149.6-80.10000109.6

Retrieved 178 of 178 residues in 139.7 ms (Link to these results)