X6REY2_HUMAN Loading...

Protein Abitram

Actin-binding protein that regulates actin polymerization, filopodia dynamics and increases the branching of proximal dendrites of developing neurons.

AlphaFold DB , UniProt , Accession X6REY2, Species HUMAN (Homo sapiens, Human), Gene ABITRAM, Length 129 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
1I45.3Very low58.9Low139 Ų13968.3 Ų68.371%0.71338%0.382SS*.  0125.40-64.4169.2000106.3A16 L126I1-A16 WeakPolarHBondContact O-CB 3.24Å; I1-L126 HydrophobicContact CB-CD1 4.28Å; I1-L126 HydrophobicContact CD1-CD1 3.85Å; I1-L126 HydrophobicContact CG2-CD1 3.71Å
2L53.5Low60.9Low24 Ų2465.9 Ų65.913%0.12637%0.37CS..  trans-71.1140.5-176.1-78.1115.7000110.9I13 T14 L15 V76 S77 I108L2-I13 HydrophobicContact CB-CG2 4.46Å; L2-I13 HydrophobicContact CD2-CG2 3.48Å; L2-I13 VanDerWaalsContact CD2-CG2 3.48Å; L2-T14 WeakPolarHBondContact CD2-O 3.47Å; L2-L15 HydrophobicContact CD2-CD2 4.46Å; L2-V76 HydrophobicContact CD1-CG1 4.05Å; L2-V76 HydrophobicContact CD2-CB 4.41Å; L2-V76 HydrophobicContact CD2-CG1 3.27Å; L2-V76 HydrophobicContact CD2-CG2 4.47Å; L2-V76 HydrophobicContact CG-CG1 4.27Å; L2-S77 WeakPolarHBondContact CD1-O 3.48Å; L2-I108 HydrophobicContact CD2-CD1 4.42Å
3H53.4Low62.7Low56 Ų5660.8 Ų60.826%0.25934%0.342SS..EExtended strand (participates in β ladder)trans-86.8117.5176.1-163.4-102.8000107.3T14 A16 Q128H3-T14 PolarHBondContact N-O 3.03Å; H3-T14 PolarHBondContact O-N 2.67Å; H3-T14 VanDerWaalsContact O-N 3.07Å; H3-T14 PolarHBondContact O-OG1 3.09Å; H3-A16 HydrophobicContact CB-CB 4.23Å; H3-Q128 PolarHBondContact NE2-NE2 3.46Å
4S54.2Low64.3Low17 Ų1757.3 Ų57.312%0.11932%0.322CS..EExtended strand (participates in β ladder)trans-110.3113.117364.20000110V6 V12 L125S4-V6 PolarHBondContact O-N 3.24Å; S4-V12 VanDerWaalsContact CA-O 3.25Å; S4-V12 WeakPolarHBondContact CA-O 2.92Å; S4-L125 VanDerWaalsContact OG-CD1 3.26Å; S4-L125 WeakPolarHBondContact OG-CD1 3.29Å; S4-L125 WeakPolarHBondContact OG-CD2 3.41Å
5L56Low65.6Low84 Ų8453.7 Ų53.744%0.4430%0.302SS..EExtended strand (participates in β ladder)trans-84.4112.8175.9-127.4147000108.1Q7 V12L5-Q7 HydrophobicContact CD2-CB 4.43Å; L5-V12 PolarHBondContact N-O 3.02Å; L5-V12 PolarHBondContact O-N 3.13Å
6V53.2Low66.4Low62 Ų6251.1 Ų51.138%0.37629%0.29SS..EExtended strand (participates in β ladder)trans-96.894.3175.6-174.80000107.9S4 L125S4-V6 PolarHBondContact O-N 3.24Å; V6-L125 HydrophobicContact CG2-CD1 3.52Å
7Q50.9Low66.7Low141 Ų14156.6 Ų56.666%0.65931%0.312SS*.EExtended strand (participates in β ladder)trans-132.3120.1168.8-155.5165.2-1.400106.5L5 I10L5-Q7 HydrophobicContact CD2-CB 4.43Å; Q7-I10 WeakPolarHBondContact O-CG1 3.23Å
8T55.1Low67.2Low126 Ų12657.4 Ų57.477%0.77332%0.322SS*.THydrogen-bonded Turntrans73.936.3178.572.70000117.7I10T8-I10 PolarHBondContact O-N 2.93Å; T8-I10 VanDerWaalsContact O-N 3.12Å
9G69.4Low67.9Low41 Ų4155.6 Ų55.642%0.42331%0.311SS..THydrogen-bonded Turntrans727.1170.400000114.9L112 P113G9-L112 VanDerWaalsContact O-CD1 3.29Å; G9-L112 WeakPolarHBondContact O-CD1 3Å; G9-P113 WeakPolarHBondContact O-CD 3.2Å
10I76.3Confident68.4Low61 Ų6155.4 Ų55.431%0.31331%0.312SS..EExtended strand (participates in β ladder)trans-110.7150.716554.4170.7000108.8Q7 T8 V110 L112Q7-I10 WeakPolarHBondContact O-CG1 3.23Å; T8-I10 PolarHBondContact O-N 2.93Å; T8-I10 VanDerWaalsContact O-N 3.12Å; I10-V110 HydrophobicContact CB-CG1 4.31Å; I10-L112 HydrophobicContact CG2-CD1 3.54Å
11C80.4Confident68.9Low0 Ų052.7 Ų52.70%030%0.297CS..EExtended strand (participates in β ladder)trans-115.3118.2174.9-67.10000108.3V80 V111C11-V80 HydrophobicContact CB-CG2 4.09Å; C11-V111 PolarHBondContact N-O 3.46Å; C11-V111 PolarHBondContact O-N 3.32Å
12V83.4Confident70.4Confident40 Ų4047.9 Ų47.924%0.24227%0.272CS..EExtended strand (participates in β ladder)trans-92122.5172.3-175.70000108.1S4 L5 T14 Y107 V110S4-V12 VanDerWaalsContact CA-O 3.25Å; S4-V12 WeakPolarHBondContact CA-O 2.92Å; L5-V12 PolarHBondContact N-O 3.02Å; L5-V12 PolarHBondContact O-N 3.13Å; V12-T14 HydrophobicContact CG1-CG2 3.89Å; V12-Y107 HydrophobicContact CG1-CG 4.32Å; V12-V110 HydrophobicContact CG2-CG2 4.47Å
13I84Confident71.5Confident0 Ų053.5 Ų53.50%030%0.298CS..EExtended strand (participates in β ladder)trans-94.3118.9180-53.4-54.6000109.2L2 L63 S78 V80 I108 A109 V111L2-I13 HydrophobicContact CB-CG2 4.46Å; L2-I13 HydrophobicContact CD2-CG2 3.48Å; L2-I13 VanDerWaalsContact CD2-CG2 3.48Å; I13-L63 HydrophobicContact CB-CD1 4.21Å; I13-L63 HydrophobicContact CG1-CD1 4.24Å; I13-L63 HydrophobicContact CG2-CD1 3.82Å; I13-S78 VanDerWaalsContact CD1-O 3.23Å; I13-S78 WeakPolarHBondContact CD1-O 3.13Å; I13-V80 HydrophobicContact CD1-CG2 4.03Å; I13-I108 PolarHBondContact O-N 2.76Å; I13-A109 HydrophobicContact CB-CB 4.46Å; I13-A109 PolarHBondContact N-O 3.29Å; I13-A109 PolarHBondContact O-N 3.25Å; I13-V111 HydrophobicContact CG1-CG2 3.99Å
14T85.4Confident72.3Confident11 Ų1154.2 Ų54.27%0.06731%0.309CS..EExtended strand (participates in β ladder)trans-132.9160.2177.478.30000110.7L2 H3 V12 P102L2-T14 WeakPolarHBondContact CD2-O 3.47Å; H3-T14 PolarHBondContact N-O 3.03Å; H3-T14 PolarHBondContact O-N 2.67Å; H3-T14 VanDerWaalsContact O-N 3.07Å; H3-T14 PolarHBondContact O-OG1 3.09Å; V12-T14 HydrophobicContact CG1-CG2 3.89Å; T14-P102 WeakPolarHBondContact CB-O 3.37Å; T14-P102 WeakPolarHBondContact CG2-O 3.24Å
15L82.9Confident73Confident3 Ų356.1 Ų56.12%0.01633%0.332CS..  trans-68.4134.3169.8-72.2-175.8000109.5L2 H19 V21 L22 I66 V76 L98 I108L2-L15 HydrophobicContact CD2-CD2 4.46Å; L15-H19 HydrophobicContact CD2-CB 4.46Å; L15-V21 HydrophobicContact CD1-CB 4.27Å; L15-V21 HydrophobicContact CD1-CG1 4.16Å; L15-L22 HydrophobicContact CB-CD1 3.57Å; L15-L22 HydrophobicContact CD1-CD1 4.28Å; L15-I66 HydrophobicContact CD1-CD1 3.87Å; L15-I66 HydrophobicContact CD2-CD1 4.18Å; L15-I66 HydrophobicContact CG-CD1 4.41Å; L15-V76 HydrophobicContact CD2-CG2 3.88Å; L15-L98 HydrophobicContact CB-CD2 4.15Å; L15-L98 HydrophobicContact CD1-CD2 3.64Å; L15-L98 HydrophobicContact CG-CD2 3.65Å; L15-I108 HydrophobicContact CD2-CD1 4.14Å; L15-I108 HydrophobicContact CG-CD1 4.04Å
16A78.4Confident74.2Confident13 Ų1354 Ų5411%0.10732%0.319CS..  trans-73.9150.5168.500000110.7I1 H3 S18 H19 L22I1-A16 WeakPolarHBondContact O-CB 3.24Å; H3-A16 HydrophobicContact CB-CB 4.23Å; A16-S18 PolarHBondContact O-N 3.09Å; A16-S18 VanDerWaalsContact O-N 3.1Å; A16-H19 WeakPolarHBondContact O-CB 3.1Å; A16-H19 PolarHBondContact O-N 3.15Å; A16-L22 WeakPolarHBondContact O-CD1 3.47Å
17E71.4Confident75.6Confident145 Ų14555.4 Ų55.468%0.67833%0.328SS*.THydrogen-bonded Turntrans-57.4-25.6174.4-61.9-177.8167.500112.9H19 Q23E17-H19 PolarHBondContact O-N 3.04Å; E17-Q23 WeakPolarHBondContact O-CG 3.12Å
18S75.5Confident77.2Confident70 Ų7049 Ų4949%0.4930%0.298SS..THydrogen-bonded Turntrans-75.3-4.4173.860.40000114.5A16A16-S18 PolarHBondContact O-N 3.09Å; A16-S18 VanDerWaalsContact O-N 3.1Å
19H80.6Confident78.8Confident24 Ų2450.4 Ų50.411%0.11129%0.293CS..SBendtrans-70.8138.1179.9-162.8-87.8000110.5L15 A16 E17 V21 L22 Q23 Y74L15-H19 HydrophobicContact CD2-CB 4.46Å; A16-H19 WeakPolarHBondContact O-CB 3.1Å; A16-H19 PolarHBondContact O-N 3.15Å; E17-H19 PolarHBondContact O-N 3.04Å; H19-V21 VanDerWaalsContact CE1-CG2 3.47Å; H19-V21 WeakPolarHBondContact CE1-CG2 3.34Å; H19-V21 WeakPolarHBondContact ND1-CB 3.42Å; H19-V21 WeakPolarHBondContact ND1-CG2 3.37Å; H19-V21 PolarHBondContact ND1-N 2.84Å; H19-V21 PolarHBondContact O-N 3.19Å; H19-V21 VanDerWaalsContact O-N 3.12Å; H19-L22 HydrophobicContact CB-CD1 4.48Å; H19-L22 WeakPolarHBondContact O-CA 3.46Å; H19-L22 PolarHBondContact O-N 3.24Å; H19-Q23 PolarHBondContact O-N 3.03Å; H19-Y74 AromaticContact CE1-CD1 3.6Å; H19-Y74 AromaticContact CE1-CG 3.83Å
20P77.6Confident79.4Confident50 Ų5051 Ų5133%0.32529%0.291SS..Hα-helixtrans-54.4-35.8-179.1-27.634.5000113.6L22 Q23 S24 Y74P20-L22 PolarHBondContact O-N 2.85Å; P20-Q23 PolarHBondContact O-N 2.89Å; P20-S24 WeakPolarHBondContact O-CB 3.24Å; P20-S24 PolarHBondContact O-N 2.8Å; P20-S24 PolarHBondContact O-OG 3.42Å; P20-S24 VanDerWaalsContact O-OG 3.05Å; P20-Y74 HydrophobicContact CB-CE1 3.97Å; P20-Y74 WeakPolarHBondContact CB-OH 3.47Å; P20-Y74 HydrophobicContact CG-CE1 3.98Å
21V80.4Confident79.9Confident0 Ų048.6 Ų48.60%028%0.279CS..Hα-helixtrans-58.4-31175.4176.50000112.9L15 H19 I28 I66 Y74 Q99L15-V21 HydrophobicContact CD1-CB 4.27Å; L15-V21 HydrophobicContact CD1-CG1 4.16Å; H19-V21 VanDerWaalsContact CE1-CG2 3.47Å; H19-V21 WeakPolarHBondContact CE1-CG2 3.34Å; H19-V21 WeakPolarHBondContact ND1-CB 3.42Å; H19-V21 WeakPolarHBondContact ND1-CG2 3.37Å; H19-V21 PolarHBondContact ND1-N 2.84Å; H19-V21 PolarHBondContact O-N 3.19Å; H19-V21 VanDerWaalsContact O-N 3.12Å; V21-I28 HydrophobicContact CG1-CD1 3.55Å; V21-I28 HydrophobicContact CG1-CG1 3.51Å; V21-I66 HydrophobicContact CG1-CG2 4.49Å; V21-I66 HydrophobicContact CG2-CG2 4.41Å; V21-Y74 HydrophobicContact CG2-CD1 4.48Å; V21-Y74 HydrophobicContact CG2-CD2 3.54Å; V21-Y74 HydrophobicContact CG2-CE2 3.85Å; V21-Y74 HydrophobicContact CG2-CG 3.89Å; V21-Q99 PolarHBondContact O-NE2 3.37Å
22L76.8Confident79.9Confident37 Ų3750.1 Ų50.119%0.19429%0.289CS..Hα-helixtrans-92.2-47.4176.6-80.5149.3000111.4L15 A16 H19 P20 G25 Q99L15-L22 HydrophobicContact CB-CD1 3.57Å; L15-L22 HydrophobicContact CD1-CD1 4.28Å; A16-L22 WeakPolarHBondContact O-CD1 3.47Å; H19-L22 HydrophobicContact CB-CD1 4.48Å; H19-L22 WeakPolarHBondContact O-CA 3.46Å; H19-L22 PolarHBondContact O-N 3.24Å; P20-L22 PolarHBondContact O-N 2.85Å; L22-G25 PolarHBondContact O-N 3.31Å; L22-Q99 HydrophobicContact CD2-CB 4.33Å; L22-Q99 HydrophobicContact CD2-CG 4.39Å
23Q75.9Confident79.7Confident142 Ų14248.2 Ų48.266%0.66428%0.278SS*.Hα-helixtrans-67.8-40-176.8-71.2-156.6-16.300114E17 H19 P20 G25E17-Q23 WeakPolarHBondContact O-CG 3.12Å; H19-Q23 PolarHBondContact O-N 3.03Å; P20-Q23 PolarHBondContact O-N 2.89Å; Q23-G25 PolarHBondContact O-N 3.42Å
24S69.7Low79Confident72 Ų7253.2 Ų53.250%0.50330%0.301SS..THydrogen-bonded Turntrans-82.31.5-175.3-500000112.6P20 K26P20-S24 WeakPolarHBondContact O-CB 3.24Å; P20-S24 PolarHBondContact O-N 2.8Å; P20-S24 PolarHBondContact O-OG 3.42Å; P20-S24 VanDerWaalsContact O-OG 3.05Å; S24-K26 PolarHBondContact O-N 3.08Å; S24-K26 VanDerWaalsContact O-N 3.08Å
25G70.1Confident78.2Confident57 Ų5754.3 Ų54.359%0.58831%0.306SS*.  trans58.620.8-176.200000113.7L22 Q23 T27L22-G25 PolarHBondContact O-N 3.31Å; Q23-G25 PolarHBondContact O-N 3.42Å; G25-T27 PolarHBondContact O-N 2.51Å
26K80.2Confident77Confident39 Ų3956.9 Ų56.917%0.1732%0.324CS..PPolyproline II helixtrans-66.1129.3-174.1-75.5172.3-175.6-134.80109.8S24 I28 D70 E72 Q99S24-K26 PolarHBondContact O-N 3.08Å; S24-K26 VanDerWaalsContact O-N 3.08Å; K26-I28 PolarHBondContact O-N 2.61Å; K26-D70 WeakPolarHBondContact CD-OD2 3.27Å; K26-D70 VanDerWaalsContact CE-OD2 3.23Å; K26-D70 WeakPolarHBondContact CE-OD2 3.28Å; K26-D70 IonicContact NZ-OD2 3.03Å; K26-D70 PolarHBondContact NZ-OD2 2.82Å; K26-E72 IonicContact NZ-OE1 2.61Å; K26-E72 PolarHBondContact NZ-OE1 3.36Å; K26-E72 IonicContact NZ-OE2 3.47Å; K26-E72 PolarHBondContact NZ-OE2 3.1Å; K26-Q99 PolarHBondContact O-NE2 3.43Å
27T83.1Confident75.5Confident91 Ų9162.5 Ų62.556%0.55836%0.357SS*.PPolyproline II helixtrans-70.8124.4175.4-49.60000109.9G25 K29 S69G25-T27 PolarHBondContact O-N 2.51Å; T27-K29 PolarHBondContact O-N 3.05Å; T27-S69 PolarHBondContact O-N 3.48Å; T27-S69 PolarHBondContact O-OG 2.86Å; T27-S69 VanDerWaalsContact O-OG 3.13Å
28I85.5Confident74.5Confident8 Ų863.2 Ų63.24%0.04137%0.366CS..EExtended strand (participates in β ladder)trans-74.7120.9171.8-57.7170.9000108V21 K26 I31 I66 P95 L98 Q99V21-I28 HydrophobicContact CG1-CD1 3.55Å; V21-I28 HydrophobicContact CG1-CG1 3.51Å; K26-I28 PolarHBondContact O-N 2.61Å; I28-I31 HydrophobicContact CG2-CD1 4.05Å; I28-I31 HydrophobicContact CG2-CG1 3.67Å; I28-I66 HydrophobicContact CB-CG2 4.4Å; I28-I66 HydrophobicContact CD1-CG2 4.21Å; I28-I66 HydrophobicContact CG1-CG2 3.97Å; I28-I66 HydrophobicContact CG2-CG2 3.65Å; I28-P95 HydrophobicContact CB-CB 3.95Å; I28-P95 HydrophobicContact CG2-CB 3.58Å; I28-P95 HydrophobicContact CG2-CG 4.39Å; I28-L98 HydrophobicContact CD1-CB 4.11Å; I28-Q99 HydrophobicContact CD1-CG 4.01Å
29K87Confident73.2Confident154 Ų15461.5 Ų61.567%0.6735%0.354SS*.EExtended strand (participates in β ladder)trans-82.2-47179.2-176.2177.1-178.2176.30111.3T27 Y67T27-K29 PolarHBondContact O-N 3.05Å; K29-Y67 WeakPolarHBondContact CB-O 3.38Å; K29-Y67 PolarHBondContact N-O 2.97Å
30S83.5Confident72Confident53 Ų5361.5 Ų61.537%0.37136%0.356SS..EExtended strand (participates in β ladder)trans-158.2160.417862.20000110.9Y67S30-Y67 PolarHBondContact N-O 2.82Å; S30-Y67 PolarHBondContact O-N 3.17Å
31I85.1Confident71.1Confident12 Ų1260.3 Ų60.36%0.06235%0.345CS..EExtended strand (participates in β ladder)trans-127.2142.7175.4-56.2178.1000107.1I28 C64 K65 I66 I91 L92 P95 L98I28-I31 HydrophobicContact CG2-CD1 4.05Å; I28-I31 HydrophobicContact CG2-CG1 3.67Å; I31-C64 HydrophobicContact CG2-CB 4.06Å; I31-K65 CarbonylContact C-O 3.52Å; I31-K65 WeakPolarHBondContact CA-O 3.22Å; I31-I66 HydrophobicContact CG1-CG1 4.35Å; I31-I66 HydrophobicContact CG1-CG2 4.4Å; I31-I66 HydrophobicContact CG2-CG1 4.42Å; I31-I91 HydrophobicContact CD1-CB 4.02Å; I31-I91 HydrophobicContact CD1-CD1 3.79Å; I31-I91 HydrophobicContact CD1-CG1 4.14Å; I31-I91 HydrophobicContact CG2-CD1 3.9Å; I31-L92 HydrophobicContact CB-CD2 4.24Å; I31-L92 HydrophobicContact CG2-CD2 4.41Å; I31-L92 WeakPolarHBondContact O-CD2 3.47Å; I31-P95 HydrophobicContact CD1-CB 3.93Å; I31-P95 HydrophobicContact CG1-CB 4.17Å; I31-L98 HydrophobicContact CD1-CD1 3.22Å
32S82Confident69.9Low31 Ų3163.5 Ų63.522%0.21736%0.362CS..EExtended strand (participates in β ladder)trans-132.2123.8177.9-175.50000111.1Q34 C64 K65S32-Q34 WeakPolarHBondContact OG-CB 3.38Å; S32-Q34 PolarHBondContact OG-N 3.09Å; S32-C64 CarbonylContact O-C 3.48Å; S32-C64 VanDerWaalsContact O-CA 3.22Å; S32-C64 WeakPolarHBondContact O-CA 3.03Å; S32-C64 WeakPolarHBondContact O-CB 3.35Å; S32-K65 PolarHBondContact N-O 3.04Å; S32-K65 PolarHBondContact O-N 3.34Å
33Y77.7Confident68.8Low1 Ų169.6 Ų69.60%0.00439%0.389CS..  trans-84.66.7168.8-72.8-76.4000112.8I35 R41 L63 C64 V87 N88 I91 L92 I108Y33-I35 PolarHBondContact O-N 2.83Å; Y33-R41 PolarHBondContact O-N 2.79Å; Y33-R41 VanDerWaalsContact O-N 3.09Å; Y33-L63 WeakPolarHBondContact CD1-O 3.21Å; Y33-C64 HydrophobicContact CD1-CB 3.59Å; Y33-C64 HydrophobicContact CE1-CB 3.73Å; Y33-C64 HydrophobicContact CG-CB 4.17Å; Y33-V87 HydrophobicContact CD1-CB 4.27Å; Y33-V87 HydrophobicContact CD1-CG1 4.14Å; Y33-V87 HydrophobicContact CE1-CB 3.9Å; Y33-V87 HydrophobicContact CE1-CG1 3.97Å; Y33-N88 VanDerWaalsContact CE2-O 3.28Å; Y33-N88 WeakPolarHBondContact CE2-O 3.26Å; Y33-N88 PolarHBondContact OH-N 2.81Å; Y33-N88 PolarHBondContact OH-O 2.74Å; Y33-I91 HydrophobicContact CE2-CD1 4Å; Y33-I91 HydrophobicContact CE2-CG1 4.02Å; Y33-I91 WeakPolarHBondContact OH-CD1 3.35Å; Y33-L92 HydrophobicContact CD2-CD1 3.94Å; Y33-L92 HydrophobicContact CD2-CD2 3.67Å; Y33-L92 HydrophobicContact CD2-CG 3.93Å; Y33-L92 HydrophobicContact CE2-CD1 4.31Å; Y33-L92 HydrophobicContact CE2-CD2 3.94Å; Y33-L92 HydrophobicContact CE2-CG 3.96Å; Y33-I108 HydrophobicContact CE1-CG2 3.93Å; Y33-I108 PolarHBondContact OH-O 3.13Å
34Q70.2Confident67.7Low104 Ų10464 Ų6449%0.48636%0.364SS..EExtended strand (participates in β ladder)trans-82106.2174.9-170174.7-19.600109.4S32S32-Q34 WeakPolarHBondContact OG-CB 3.38Å; S32-Q34 PolarHBondContact OG-N 3.09Å
35I68.3Low66.7Low35 Ų3569.2 Ų69.218%0.17938%0.378CS..EExtended strand (participates in β ladder)trans-87.3-37.6-177-63.1-48.4000111.4Y33 C39 R41 P62 L63Y33-I35 PolarHBondContact O-N 2.83Å; I35-C39 PolarHBondContact N-O 2.68Å; I35-R41 HydrophobicContact CG1-CG 3.93Å; I35-P62 HydrophobicContact CB-CG 4.49Å; I35-P62 HydrophobicContact CD1-CB 3.81Å; I35-P62 HydrophobicContact CD1-CG 4.2Å; I35-P62 HydrophobicContact CG1-CB 4.48Å; I35-P62 HydrophobicContact CG1-CG 4.37Å; I35-P62 WeakPolarHBondContact CG1-O 3.49Å; I35-P62 HydrophobicContact CG2-CB 4.22Å; I35-P62 HydrophobicContact CG2-CG 3.38Å; I35-L63 WeakPolarHBondContact CD1-O 3.39Å
36S58Low65.6Low56 Ų5668.9 Ų68.939%0.39236%0.364SS..EExtended strand (participates in β ladder)trans-146.7167.9172.673.20000111.4N38 C39S36-N38 PolarHBondContact O-N 2.87Å; S36-N38 VanDerWaalsContact O-N 3.09Å; S36-C39 PolarHBondContact N-O 3.39Å; S36-C39 CarbonylContact O-C 3.55Å; S36-C39 PolarHBondContact O-N 2.8Å; S36-C39 WeakPolarHBondContact OG-CB 3.36Å; S36-C39 PolarHBondContact OG-N 3.26Å; S36-C39 VanDerWaalsContact OG-N 3.15Å
37T47.3Very low63.6Low131 Ų13170.8 Ų70.880%0.80438%0.382SS*.THydrogen-bonded Turntrans-57-21.4178.543.40000113.8
38N49.9Very low61.5Low161 Ų16169.5 Ų69.586%0.86139%0.387SS*.THydrogen-bonded Turntrans-119.89.1175-78-63.2000113.6S36S36-N38 PolarHBondContact O-N 2.87Å; S36-N38 VanDerWaalsContact O-N 3.09Å
39C47.4Very low59.5Low34 Ų3479.1 Ų79.123%0.2343%0.429CS..EExtended strand (participates in β ladder)trans-140.396.9-179.4-163.70000110.7I35 S36I35-C39 PolarHBondContact N-O 2.68Å; S36-C39 PolarHBondContact N-O 3.39Å; S36-C39 CarbonylContact O-C 3.55Å; S36-C39 PolarHBondContact O-N 2.8Å; S36-C39 WeakPolarHBondContact OG-CB 3.36Å; S36-C39 PolarHBondContact OG-N 3.26Å; S36-C39 VanDerWaalsContact OG-N 3.15Å
40S56.4Low57.5Low24 Ų2479.8 Ų79.817%0.16843%0.432CS..EExtended strand (participates in β ladder)trans-104.5126.4168-173.20000109.2L42 Q43S40-L42 PolarHBondContact O-N 3.33Å; S40-Q43 PolarHBondContact O-N 3.12Å; S40-Q43 VanDerWaalsContact O-N 3.11Å
41R59.5Low56.2Low24 Ų2480.6 Ų80.69%0.09143%0.429CS..G310 helixtrans-64.8-16.5175.7-59.7-61.7-171.5-160.1-3.7112.1Y33 I35 Q43 N44 L57 P62 L84 V87Y33-R41 PolarHBondContact O-N 2.79Å; Y33-R41 VanDerWaalsContact O-N 3.09Å; I35-R41 HydrophobicContact CG1-CG 3.93Å; R41-Q43 VanDerWaalsContact C-N 3.3Å; R41-N44 WeakPolarHBondContact O-CB 3.26Å; R41-N44 PolarHBondContact O-N 3.34Å; R41-L57 VanDerWaalsContact NH2-CD2 3.34Å; R41-P62 PolarHBondContact NE-O 3.47Å; R41-P62 PolarHBondContact NH2-O 3.15Å; R41-P62 VanDerWaalsContact NH2-O 3.15Å; R41-L84 HydrophobicContact CB-CD2 4.14Å; R41-L84 HydrophobicContact CG-CD2 4.39Å; R41-V87 HydrophobicContact CB-CG1 4.48Å
42L54.3Low54.2Low67 Ų6789.7 Ų89.735%0.35146%0.462SS..G310 helixtrans-69.6-24173.6-73.4158.8000113.1S40 N44 V87 E89 L92S40-L42 PolarHBondContact O-N 3.33Å; L42-N44 PolarHBondContact O-N 3.23Å; L42-V87 HydrophobicContact CD2-CG2 4.45Å; L42-E89 HydrophobicContact CD2-CG 3.75Å; L42-L92 HydrophobicContact CD1-CD1 4.11Å; L42-L92 HydrophobicContact CD2-CD1 4.07Å
43Q53.4Low52.8Low165 Ų16590.8 Ų90.877%0.77148%0.479SS*.G310 helixtrans-80.68.8174.6-73.7-175.417.400113S40 R41 K45S40-Q43 PolarHBondContact O-N 3.12Å; S40-Q43 VanDerWaalsContact O-N 3.11Å; R41-Q43 VanDerWaalsContact C-N 3.3Å; Q43-K45 PolarHBondContact O-N 3.46Å
44N54Low52Low26 Ų2691.5 Ų91.514%0.13949%0.485CS..  trans-71.474.4177.3-163.124.1000110R41 L42 V46 G53 A54 Q55 L84R41-N44 WeakPolarHBondContact O-CB 3.26Å; R41-N44 PolarHBondContact O-N 3.34Å; L42-N44 PolarHBondContact O-N 3.23Å; N44-V46 PolarHBondContact O-N 2.88Å; N44-G53 PolarHBondContact OD1-O 3.03Å; N44-A54 WeakPolarHBondContact OD1-CA 3.47Å; N44-Q55 PolarHBondContact OD1-N 3.49Å; N44-L84 WeakPolarHBondContact ND2-CG 3.18Å; N44-L84 PolarHBondContact ND2-O 2.86Å; N44-L84 VanDerWaalsContact ND2-O 3.15Å
45K47.2Very low51.9Low180 Ų18089 Ų8978%0.78347%0.473SS*.  trans-77.674.8179.9-158.2176.5-172.81790109.3Q43 S47Q43-K45 PolarHBondContact O-N 3.46Å; K45-S47 PolarHBondContact O-N 2.94Å
46V47.7Very low52.3Low50 Ų5091.7 Ų91.730%0.30348%0.484SS..  trans-70.4112.5177.6-1750000108.6N44 K51 A54N44-V46 PolarHBondContact O-N 2.88Å; V46-K51 HydrophobicContact CG1-CB 4.14Å; V46-A54 HydrophobicContact CG1-CB 4.31Å; V46-A54 HydrophobicContact CG2-CB 3.92Å
47S39.1Very low53.3Low79 Ų7989 Ų8955%0.55247%0.465SS*.BIsolated β-bridgetrans-136.6145.5177.2650000112.6K45 R52K45-S47 PolarHBondContact O-N 2.94Å; S47-R52 PolarHBondContact N-O 3.11Å; S47-R52 PolarHBondContact O-N 3.29Å
48G38.1Very low54.8Low64 Ų6486 Ų8666%0.6645%0.446SS*.THydrogen-bonded Turntrans88.9161175.700000116.3F50 K51G48-F50 PolarHBondContact O-N 3.48Å; G48-K51 PolarHBondContact O-N 3.26Å
49K43.8Very low56Low211 Ų21183.7 Ų83.792%0.91743%0.43SS*.THydrogen-bonded Turntrans-56.3-19.5-174.9-157.2174.8-175.8177.80114.9
50F44.9Very low57.5Low167 Ų16789.2 Ų89.273%0.73246%0.457SS*.THydrogen-bonded Turntrans-104.87.9178.8-78.9-85.3000114.4G48 R52G48-F50 PolarHBondContact O-N 3.48Å; F50-R52 PolarHBondContact O-N 2.75Å
51K55Low58.7Low70 Ų7088.4 Ų88.430%0.30445%0.452SS..THydrogen-bonded Turntrans55.641.3179.9-50.6175.9177-168.60111.3V46 G48 G53 A54 M85 L112V46-K51 HydrophobicContact CG1-CB 4.14Å; G48-K51 PolarHBondContact O-N 3.26Å; K51-G53 PolarHBondContact O-N 3.19Å; K51-A54 HydrophobicContact CB-CB 4.45Å; K51-A54 PolarHBondContact O-N 3.02Å; K51-M85 HydrophobicContact CD-CE 3.77Å; K51-M85 HydrophobicContact CD-SD 3.71Å; K51-M85 HydrophobicContact CG-CE 4.46Å; K51-M85 PolarHBondContact NZ-SD 3.15Å; K51-M85 VanDerWaalsContact NZ-SD 3.44Å; K51-L112 VanDerWaalsContact NZ-CD2 3.27Å
52R43.6Very low59.8Low203 Ų20389.1 Ų89.177%0.76646%0.46SS*.BIsolated β-bridgetrans-67.7127175.9-90.7-177.7169.9142-2.8107.6S47 F50S47-R52 PolarHBondContact N-O 3.11Å; S47-R52 PolarHBondContact O-N 3.29Å; F50-R52 PolarHBondContact O-N 2.75Å
53G52.7Low61.1Low55 Ų5586 Ų8657%0.56744%0.443SS*.THydrogen-bonded Turntrans106.4-17-175.800000114.8N44 K51 Q55N44-G53 PolarHBondContact OD1-O 3.03Å; K51-G53 PolarHBondContact O-N 3.19Å; G53-Q55 PolarHBondContact O-N 3.48Å
54A60.8Low62.6Low15 Ų1578.1 Ų78.112%0.12441%0.406CS..PPolyproline II helixtrans-63.7118178.800000111.6N44 V46 K51 F56 R83N44-A54 WeakPolarHBondContact OD1-CA 3.47Å; V46-A54 HydrophobicContact CG1-CB 4.31Å; V46-A54 HydrophobicContact CG2-CB 3.92Å; K51-A54 HydrophobicContact CB-CB 4.45Å; K51-A54 PolarHBondContact O-N 3.02Å; A54-F56 PolarHBondContact O-N 3.27Å; A54-R83 HydrophobicContact CB-CB 4.3Å
55Q69.4Low64.2Low53 Ų5379.8 Ų79.825%0.24841%0.413CS..PPolyproline II helixtrans-63.1130.7174.5-72.9-173.4-27.100110.6N44 G53 L84N44-Q55 PolarHBondContact OD1-N 3.49Å; G53-Q55 PolarHBondContact O-N 3.48Å; Q55-L84 PolarHBondContact O-N 3.31Å
56F75.4Confident66.1Low90 Ų9071.2 Ų71.240%0.39538%0.375SS..EExtended strand (participates in β ladder)trans-81.3128.3171.2-168-99.1000109.1A54 R81 G82 R83 K114A54-F56 PolarHBondContact O-N 3.27Å; F56-R81 HydrophobicContact CE1-CG 3.83Å; F56-R81 HydrophobicContact CZ-CG 3.69Å; F56-G82 WeakPolarHBondContact CD2-O 3.5Å; F56-R83 HydrophobicContact CD2-CG 4.23Å; F56-K114 HydrophobicContact CE2-CD 4.44Å
57L78.4Confident68Low0 Ų071.9 Ų71.90%037%0.373CS..EExtended strand (participates in β ladder)trans-106.3138.3178.8-62.3176.4000109.6R41 A61 L63 R81 G82 L84 V111R41-L57 VanDerWaalsContact NH2-CD2 3.34Å; L57-A61 HydrophobicContact CB-CB 4.07Å; L57-A61 HydrophobicContact CD2-CB 3.82Å; L57-L63 HydrophobicContact CD1-CD2 3.43Å; L57-L63 VanDerWaalsContact CD1-CD2 3.43Å; L57-L63 HydrophobicContact CD2-CD2 4.34Å; L57-R81 WeakPolarHBondContact O-CA 3.37Å; L57-G82 PolarHBondContact N-O 2.96Å; L57-G82 PolarHBondContact O-N 3.28Å; L57-L84 HydrophobicContact CD1-CB 3.67Å; L57-L84 HydrophobicContact CD1-CD1 3.94Å; L57-L84 HydrophobicContact CD1-CD2 4.35Å; L57-L84 HydrophobicContact CD1-CG 4.19Å; L57-L84 HydrophobicContact CG-CB 4.03Å; L57-V111 HydrophobicContact CD1-CG2 3.91Å
58T78.8Confident70.4Confident67 Ų6768.3 Ų68.341%0.41135%0.348SS..  trans-91.4166.4164.156.30000109.7L60 A61 S78T58-L60 PolarHBondContact O-N 2.99Å; T58-A61 WeakPolarHBondContact O-CB 3.49Å; T58-A61 PolarHBondContact O-N 3.24Å; T58-A61 PolarHBondContact OG1-N 2.71Å; T58-S78 WeakPolarHBondContact O-CB 3.3Å
59E76.4Confident72.7Confident113 Ų11368.7 Ų68.753%0.52834%0.34SS..THydrogen-bonded Turntrans-56.3-38.9179.4-64.5167.3-169.100112.5A61 C79 R81E59-A61 VanDerWaalsContact C-N 3.31Å; E59-C79 VanDerWaalsContact O-CA 3.3Å; E59-C79 WeakPolarHBondContact O-CA 3.4Å; E59-C79 PolarHBondContact O-N 3.47Å; E59-R81 HydrophobicContact CG-CB 4.32Å
60L77.6Confident74.7Confident150 Ų15062.4 Ų62.479%0.78532%0.317SS*.THydrogen-bonded Turntrans-87.23.3177.7-59177.4000113.3T58 P62T58-L60 PolarHBondContact O-N 2.99Å; L60-P62 VanDerWaalsContact O-CD 3.26Å; L60-P62 WeakPolarHBondContact O-CD 3.19Å
61A81.8Confident76.5Confident7 Ų757.5 Ų57.56%0.05831%0.313CS..  trans-67.5121-178.400000109.7L57 T58 E59 S77 S78L57-A61 HydrophobicContact CB-CB 4.07Å; L57-A61 HydrophobicContact CD2-CB 3.82Å; T58-A61 WeakPolarHBondContact O-CB 3.49Å; T58-A61 PolarHBondContact O-N 3.24Å; T58-A61 PolarHBondContact OG1-N 2.71Å; E59-A61 VanDerWaalsContact C-N 3.31Å; A61-S77 CarbonylContact O-C 3.6Å; A61-S77 VanDerWaalsContact O-CA 3.3Å; A61-S77 WeakPolarHBondContact O-CA 3.14Å; A61-S78 PolarHBondContact O-N 3.24Å
62P82.5Confident78Confident40 Ų4058 Ų5826%0.2632%0.316SS..EExtended strand (participates in β ladder)trans-67137.9174.630.1-37.6000110I35 R41 L60 T75I35-P62 HydrophobicContact CB-CG 4.49Å; I35-P62 HydrophobicContact CD1-CB 3.81Å; I35-P62 HydrophobicContact CD1-CG 4.2Å; I35-P62 HydrophobicContact CG1-CB 4.48Å; I35-P62 HydrophobicContact CG1-CG 4.37Å; I35-P62 WeakPolarHBondContact CG1-O 3.49Å; I35-P62 HydrophobicContact CG2-CB 4.22Å; I35-P62 HydrophobicContact CG2-CG 3.38Å; R41-P62 PolarHBondContact NE-O 3.47Å; R41-P62 PolarHBondContact NH2-O 3.15Å; R41-P62 VanDerWaalsContact NH2-O 3.15Å; L60-P62 VanDerWaalsContact O-CD 3.26Å; L60-P62 WeakPolarHBondContact O-CD 3.19Å; P62-T75 HydrophobicContact CB-CG2 3.73Å
63L83.2Confident80.1Confident0 Ų053.9 Ų53.90%031%0.306CS..EExtended strand (participates in β ladder)trans-101.5-54.9178.8-71.4177.2000110.7I13 Y33 I35 L57 V76 L84 I108 A109I13-L63 HydrophobicContact CB-CD1 4.21Å; I13-L63 HydrophobicContact CG1-CD1 4.24Å; I13-L63 HydrophobicContact CG2-CD1 3.82Å; Y33-L63 WeakPolarHBondContact CD1-O 3.21Å; I35-L63 WeakPolarHBondContact CD1-O 3.39Å; L57-L63 HydrophobicContact CD1-CD2 3.43Å; L57-L63 VanDerWaalsContact CD1-CD2 3.43Å; L57-L63 HydrophobicContact CD2-CD2 4.34Å; L63-V76 HydrophobicContact CB-CG1 4.38Å; L63-V76 HydrophobicContact CD1-CG1 4.35Å; L63-V76 PolarHBondContact N-O 3.21Å; L63-L84 HydrophobicContact CD2-CD1 4.27Å; L63-I108 HydrophobicContact CB-CG2 4.45Å; L63-I108 HydrophobicContact CD1-CG2 4.47Å; L63-A109 HydrophobicContact CD1-CB 3.91Å; L63-A109 HydrophobicContact CD2-CB 4.18Å
64C84.6Confident81.7Confident0 Ų053.3 Ų53.30%029%0.287CS..EExtended strand (participates in β ladder)trans-149.1164.5178.366.70000112.2I31 S32 Y33 V76 I108I31-C64 HydrophobicContact CG2-CB 4.06Å; S32-C64 CarbonylContact O-C 3.48Å; S32-C64 VanDerWaalsContact O-CA 3.22Å; S32-C64 WeakPolarHBondContact O-CA 3.03Å; S32-C64 WeakPolarHBondContact O-CB 3.35Å; Y33-C64 HydrophobicContact CD1-CB 3.59Å; Y33-C64 HydrophobicContact CE1-CB 3.73Å; Y33-C64 HydrophobicContact CG-CB 4.17Å; C64-V76 PolarHBondContact N-O 2.76Å; C64-V76 PolarHBondContact O-N 3.22Å; C64-I108 VanDerWaalsContact SG-CG2 3.58Å
65K86.8Confident82.9Confident62 Ų6256.5 Ų56.527%0.2731%0.305SS..EExtended strand (participates in β ladder)trans-113.7130.8169.7-65.5-174.9176.6-171.20109.2I31 S32 Y67 Y74I31-K65 CarbonylContact C-O 3.52Å; I31-K65 WeakPolarHBondContact CA-O 3.22Å; S32-K65 PolarHBondContact N-O 3.04Å; S32-K65 PolarHBondContact O-N 3.34Å; K65-Y67 HydrophobicContact CB-CE2 3.85Å; K65-Y74 CarbonylContact C-O 3.58Å; K65-Y74 WeakPolarHBondContact CA-O 3.1Å
66I87.4Confident83.6Confident0 Ų054 Ų540%029%0.293CS..EExtended strand (participates in β ladder)trans-104.5124.7176.6-56.6175.4000106.9L15 V21 I28 I31 E73 Y74 V76L15-I66 HydrophobicContact CD1-CD1 3.87Å; L15-I66 HydrophobicContact CD2-CD1 4.18Å; L15-I66 HydrophobicContact CG-CD1 4.41Å; V21-I66 HydrophobicContact CG1-CG2 4.49Å; V21-I66 HydrophobicContact CG2-CG2 4.41Å; I28-I66 HydrophobicContact CB-CG2 4.4Å; I28-I66 HydrophobicContact CD1-CG2 4.21Å; I28-I66 HydrophobicContact CG1-CG2 3.97Å; I28-I66 HydrophobicContact CG2-CG2 3.65Å; I31-I66 HydrophobicContact CG1-CG1 4.35Å; I31-I66 HydrophobicContact CG1-CG2 4.4Å; I31-I66 HydrophobicContact CG2-CG1 4.42Å; I66-E73 CarbonylContact O-C 3.59Å; I66-E73 WeakPolarHBondContact O-CA 3.34Å; I66-Y74 PolarHBondContact N-O 2.9Å; I66-Y74 PolarHBondContact O-N 3.37Å; I66-V76 HydrophobicContact CD1-CG2 3.81Å; I66-V76 HydrophobicContact CG1-CG2 4.36Å
67Y88.3Confident84.1Confident63 Ų6351.2 Ų51.225%0.24729%0.285CS..EExtended strand (participates in β ladder)trans-105.2121.6175.9-59-94.6000108.2K29 S30 K65 E73K29-Y67 WeakPolarHBondContact CB-O 3.38Å; K29-Y67 PolarHBondContact N-O 2.97Å; S30-Y67 PolarHBondContact N-O 2.82Å; S30-Y67 PolarHBondContact O-N 3.17Å; K65-Y67 HydrophobicContact CB-CE2 3.85Å; Y67-E73 HydrophobicContact CD1-CG 3.58Å; Y67-E73 HydrophobicContact CE1-CG 3.82Å; Y67-E73 VanDerWaalsContact CE1-OE1 3.24Å; Y67-E73 WeakPolarHBondContact CE1-OE1 3.3Å
68C88.3Confident84.1Confident4 Ų451.2 Ų51.23%0.02729%0.285CS..EExtended strand (participates in β ladder)trans-92.3156178.9-71.80000111D70 G71 E72C68-D70 WeakPolarHBondContact CB-OD1 3.06Å; C68-D70 PolarHBondContact O-N 2.93Å; C68-G71 PolarHBondContact O-N 3.43Å; C68-G71 VanDerWaalsContact O-N 3.09Å; C68-E72 PolarHBondContact N-O 2.93Å
69S86.9Confident84.1Confident73 Ų7350.6 Ų50.651%0.5128%0.283SS..THydrogen-bonded Turntrans-65.3-19.6-179.5-60.60000113.8T27T27-S69 PolarHBondContact O-N 3.48Å; T27-S69 PolarHBondContact O-OG 2.86Å; T27-S69 VanDerWaalsContact O-OG 3.13Å
70D85.6Confident84.2Confident79 Ų7945.3 Ų45.342%0.42226%0.258SS..THydrogen-bonded Turntrans-79.7-3.517560.1-1.3000113.6K26 C68 E72K26-D70 WeakPolarHBondContact CD-OD2 3.27Å; K26-D70 VanDerWaalsContact CE-OD2 3.23Å; K26-D70 WeakPolarHBondContact CE-OD2 3.28Å; K26-D70 IonicContact NZ-OD2 3.03Å; K26-D70 PolarHBondContact NZ-OD2 2.82Å; C68-D70 WeakPolarHBondContact CB-OD1 3.06Å; C68-D70 PolarHBondContact O-N 2.93Å; D70-E72 WeakPolarHBondContact OD1-CB 3.29Å; D70-E72 PolarHBondContact OD1-N 2.85Å
71G84Confident84.3Confident63 Ų6343.3 Ų43.365%0.64924%0.24SC*.SBendtrans89.71.7-178.500000114.3C68C68-G71 PolarHBondContact O-N 3.43Å; C68-G71 VanDerWaalsContact O-N 3.09Å
72E86.4Confident84.4Confident81 Ų8143 Ų4338%0.37924%0.237SC..  trans-79.9151174-68.3-175-178.400112.5K26 C68 D70 Y74K26-E72 IonicContact NZ-OE1 2.61Å; K26-E72 PolarHBondContact NZ-OE1 3.36Å; K26-E72 IonicContact NZ-OE2 3.47Å; K26-E72 PolarHBondContact NZ-OE2 3.1Å; C68-E72 PolarHBondContact N-O 2.93Å; D70-E72 WeakPolarHBondContact OD1-CB 3.29Å; D70-E72 PolarHBondContact OD1-N 2.85Å; E72-Y74 HydrophobicContact CB-CE2 3.89Å; E72-Y74 WeakPolarHBondContact OE2-CE2 3.46Å; E72-Y74 VanDerWaalsContact OE2-CZ 3.27Å; E72-Y74 PolarHBondContact OE2-OH 3.2Å
73E87.3Confident84.4Confident116 Ų11645.8 Ų45.854%0.54224%0.243SC..EExtended strand (participates in β ladder)trans-125.3131.1180-57.3-173.7-176.500110.9I66 Y67I66-E73 CarbonylContact O-C 3.59Å; I66-E73 WeakPolarHBondContact O-CA 3.34Å; Y67-E73 HydrophobicContact CD1-CG 3.58Å; Y67-E73 HydrophobicContact CE1-CG 3.82Å; Y67-E73 VanDerWaalsContact CE1-OE1 3.24Å; Y67-E73 WeakPolarHBondContact CE1-OE1 3.3Å
74Y86.5Confident84.4Confident44 Ų4445.8 Ų45.817%0.17324%0.243CC..EExtended strand (participates in β ladder)trans-119.3120.7178.8-65.7-89.4000110H19 P20 V21 K65 I66 E72H19-Y74 AromaticContact CE1-CD1 3.6Å; H19-Y74 AromaticContact CE1-CG 3.83Å; P20-Y74 HydrophobicContact CB-CE1 3.97Å; P20-Y74 WeakPolarHBondContact CB-OH 3.47Å; P20-Y74 HydrophobicContact CG-CE1 3.98Å; V21-Y74 HydrophobicContact CG2-CD1 4.48Å; V21-Y74 HydrophobicContact CG2-CD2 3.54Å; V21-Y74 HydrophobicContact CG2-CE2 3.85Å; V21-Y74 HydrophobicContact CG2-CG 3.89Å; K65-Y74 CarbonylContact C-O 3.58Å; K65-Y74 WeakPolarHBondContact CA-O 3.1Å; I66-Y74 PolarHBondContact N-O 2.9Å; I66-Y74 PolarHBondContact O-N 3.37Å; E72-Y74 HydrophobicContact CB-CE2 3.89Å; E72-Y74 WeakPolarHBondContact OE2-CE2 3.46Å; E72-Y74 VanDerWaalsContact OE2-CZ 3.27Å; E72-Y74 PolarHBondContact OE2-OH 3.2Å
75T85.4Confident84.3Confident81 Ų8148.3 Ų48.350%0.49726%0.255SS..EExtended strand (participates in β ladder)trans-91.8121.4173.3-60.10000109.7P62P62-T75 HydrophobicContact CB-CG2 3.73Å
76V84.8Confident84Confident1 Ų149.8 Ų49.81%0.00626%0.263CS..EExtended strand (participates in β ladder)trans-93.1127.4174.7168.80000109.5L2 L15 L63 C64 I66 I108L2-V76 HydrophobicContact CD1-CG1 4.05Å; L2-V76 HydrophobicContact CD2-CB 4.41Å; L2-V76 HydrophobicContact CD2-CG1 3.27Å; L2-V76 HydrophobicContact CD2-CG2 4.47Å; L2-V76 HydrophobicContact CG-CG1 4.27Å; L15-V76 HydrophobicContact CD2-CG2 3.88Å; L63-V76 HydrophobicContact CB-CG1 4.38Å; L63-V76 HydrophobicContact CD1-CG1 4.35Å; L63-V76 PolarHBondContact N-O 3.21Å; C64-V76 PolarHBondContact N-O 2.76Å; C64-V76 PolarHBondContact O-N 3.22Å; I66-V76 HydrophobicContact CD1-CG2 3.81Å; I66-V76 HydrophobicContact CG1-CG2 4.36Å; V76-I108 HydrophobicContact CB-CD1 4.34Å; V76-I108 HydrophobicContact CG1-CD1 3.8Å; V76-I108 HydrophobicContact CG1-CG2 4.39Å; V76-I108 HydrophobicContact CG2-CD1 3.99Å
77S84.4Confident83.8Confident31 Ų3150.7 Ų50.722%0.21727%0.269CS..EExtended strand (participates in β ladder)trans-105.4163.2176.153.20000112.7L2 A61 C79L2-S77 WeakPolarHBondContact CD1-O 3.48Å; A61-S77 CarbonylContact O-C 3.6Å; A61-S77 VanDerWaalsContact O-CA 3.3Å; A61-S77 WeakPolarHBondContact O-CA 3.14Å; S77-C79 VanDerWaalsContact C-N 3.33Å; S77-C79 PolarHBondContact O-N 2.89Å
78S79.7Confident83.6Confident0 Ų047.8 Ų47.80%026%0.257CS..  trans-62.5-36.9-179.9-170.20000113.1I13 T58 A61 V80I13-S78 VanDerWaalsContact CD1-O 3.23Å; I13-S78 WeakPolarHBondContact CD1-O 3.13Å; T58-S78 WeakPolarHBondContact O-CB 3.3Å; A61-S78 PolarHBondContact O-N 3.24Å; S78-V80 WeakPolarHBondContact CB-O 3.3Å; S78-V80 PolarHBondContact O-N 3.25Å; S78-V80 PolarHBondContact OG-O 2.91Å
79C77.6Confident83.4Confident54 Ų5452.3 Ų52.337%0.36528%0.278SS..  trans58.4-8.8-172.3-62.20000115.3E59 S77E59-C79 VanDerWaalsContact O-CA 3.3Å; E59-C79 WeakPolarHBondContact O-CA 3.4Å; E59-C79 PolarHBondContact O-N 3.47Å; S77-C79 VanDerWaalsContact C-N 3.33Å; S77-C79 PolarHBondContact O-N 2.89Å
80V78.6Confident83.2Confident3 Ų353.6 Ų53.62%0.01828%0.279CS..SBendtrans-131.2144.9175.6-59.30000109.8C11 I13 S78 V111 I121C11-V80 HydrophobicContact CB-CG2 4.09Å; I13-V80 HydrophobicContact CD1-CG2 4.03Å; S78-V80 WeakPolarHBondContact CB-O 3.3Å; S78-V80 PolarHBondContact O-N 3.25Å; S78-V80 PolarHBondContact OG-O 2.91Å; V80-V111 HydrophobicContact CG2-CB 3.92Å; V80-V111 HydrophobicContact CG2-CG1 3.84Å; V80-V111 HydrophobicContact CG2-CG2 4.36Å; V80-I121 HydrophobicContact CG1-CG2 4.2Å
81R81.1Confident83.1Confident107 Ų10749.8 Ų49.840%0.40426%0.259SS..  trans-86126.5174.5-159.4174.9-166-175.94.9109.8F56 L57 E59 P113F56-R81 HydrophobicContact CE1-CG 3.83Å; F56-R81 HydrophobicContact CZ-CG 3.69Å; L57-R81 WeakPolarHBondContact O-CA 3.37Å; E59-R81 HydrophobicContact CG-CB 4.32Å; R81-P113 WeakPolarHBondContact O-CA 3.5Å
82G83.1Confident83Confident0 Ų049.5 Ų49.50%024%0.242CC..EExtended strand (participates in β ladder)trans174.5-173.2-175.700000114.9F56 L57 L112F56-G82 WeakPolarHBondContact CD2-O 3.5Å; L57-G82 PolarHBondContact N-O 2.96Å; L57-G82 PolarHBondContact O-N 3.28Å; G82-L112 CarbonylContact C-O 3.38Å; G82-L112 VanDerWaalsContact CA-O 3.24Å; G82-L112 WeakPolarHBondContact CA-O 3.42Å
83R82.8Confident82.8Confident99 Ų9953.4 Ų53.437%0.37426%0.26SS..EExtended strand (participates in β ladder)trans-93.2127.1174.1-65.3-177.1-173.2-123.63.7109.5A54 F56 M85 V111 L112A54-R83 HydrophobicContact CB-CB 4.3Å; F56-R83 HydrophobicContact CD2-CG 4.23Å; R83-M85 PolarHBondContact O-N 2.96Å; R83-M85 VanDerWaalsContact O-N 3.14Å; R83-V111 CarbonylContact O-C 3.52Å; R83-V111 WeakPolarHBondContact O-CA 3.44Å; R83-L112 PolarHBondContact N-O 3.06Å; R83-L112 PolarHBondContact O-N 3.39Å
84L83Confident82.7Confident0 Ų052.7 Ų52.70%026%0.255CS..EExtended strand (participates in β ladder)trans-66.6111.4170.9-17657.8000109R41 N44 Q55 L57 L63 E86 V87 A109 V111R41-L84 HydrophobicContact CB-CD2 4.14Å; R41-L84 HydrophobicContact CG-CD2 4.39Å; N44-L84 WeakPolarHBondContact ND2-CG 3.18Å; N44-L84 PolarHBondContact ND2-O 2.86Å; N44-L84 VanDerWaalsContact ND2-O 3.15Å; Q55-L84 PolarHBondContact O-N 3.31Å; L57-L84 HydrophobicContact CD1-CB 3.67Å; L57-L84 HydrophobicContact CD1-CD1 3.94Å; L57-L84 HydrophobicContact CD1-CD2 4.35Å; L57-L84 HydrophobicContact CD1-CG 4.19Å; L57-L84 HydrophobicContact CG-CB 4.03Å; L63-L84 HydrophobicContact CD2-CD1 4.27Å; L84-E86 WeakPolarHBondContact CD1-O 3.09Å; L84-V87 HydrophobicContact CD1-CG1 3.9Å; L84-V87 HydrophobicContact CD2-CG1 3.85Å; L84-V87 HydrophobicContact CG-CG1 4.23Å; L84-A109 HydrophobicContact CD1-CB 3.76Å; L84-V111 HydrophobicContact CD1-CG2 4.32Å
85M81.6Confident82.5Confident53 Ų5351.5 Ų51.526%0.26125%0.253SS..EExtended strand (participates in β ladder)trans-85.9-44.5179.9-67-59.3-49.200111.1K51 R83 V110 L112K51-M85 HydrophobicContact CD-CE 3.77Å; K51-M85 HydrophobicContact CD-SD 3.71Å; K51-M85 HydrophobicContact CG-CE 4.46Å; K51-M85 PolarHBondContact NZ-SD 3.15Å; K51-M85 VanDerWaalsContact NZ-SD 3.44Å; R83-M85 PolarHBondContact O-N 2.96Å; R83-M85 VanDerWaalsContact O-N 3.14Å; M85-V110 HydrophobicContact CB-CB 4.38Å; M85-V110 HydrophobicContact CB-CG1 4.31Å; M85-V110 WeakPolarHBondContact CB-O 2.9Å; M85-V110 PolarHBondContact N-O 3.42Å; M85-L112 HydrophobicContact CG-CB 3.58Å; M85-L112 HydrophobicContact SD-CB 3.79Å; M85-L112 HydrophobicContact SD-CD2 4.16Å
86E81.9Confident82.5Confident94 Ų9450 Ų5044%0.43925%0.245SC..EExtended strand (participates in β ladder)trans-153149.4-172.4-164.3178112.700110.4L84 Y107 A109 V110L84-E86 WeakPolarHBondContact CD1-O 3.09Å; E86-Y107 PolarHBondContact OE1-OH 2.8Å; E86-A109 CarbonylContact O-C 3.56Å; E86-A109 VanDerWaalsContact O-CA 3.26Å; E86-A109 WeakPolarHBondContact O-CA 3.33Å; E86-V110 HydrophobicContact CB-CB 4.12Å; E86-V110 HydrophobicContact CB-CG2 4.31Å; E86-V110 PolarHBondContact N-O 2.83Å; E86-V110 PolarHBondContact O-N 3.06Å
87V82.9Confident82.5Confident19 Ų1950.4 Ų50.412%0.11525%0.247CC..EExtended strand (participates in β ladder)trans-122.7144166.1-68.80000108.1Y33 R41 L42 L84 E89 A109Y33-V87 HydrophobicContact CD1-CB 4.27Å; Y33-V87 HydrophobicContact CD1-CG1 4.14Å; Y33-V87 HydrophobicContact CE1-CB 3.9Å; Y33-V87 HydrophobicContact CE1-CG1 3.97Å; R41-V87 HydrophobicContact CB-CG1 4.48Å; L42-V87 HydrophobicContact CD2-CG2 4.45Å; L84-V87 HydrophobicContact CD1-CG1 3.9Å; L84-V87 HydrophobicContact CD2-CG1 3.85Å; L84-V87 HydrophobicContact CG-CG1 4.23Å; V87-E89 PolarHBondContact O-N 2.85Å; V87-A109 HydrophobicContact CG1-CB 4.29Å
88N83.9Confident82.3Confident1 Ų148.9 Ų48.91%0.00524%0.237CC..  trans-82.1107.1179.1-170.4-6.4000110Y33 N90 I91 E105 Y107 I108Y33-N88 VanDerWaalsContact CE2-O 3.28Å; Y33-N88 WeakPolarHBondContact CE2-O 3.26Å; Y33-N88 PolarHBondContact OH-N 2.81Å; Y33-N88 PolarHBondContact OH-O 2.74Å; N88-N90 VanDerWaalsContact C-N 3.26Å; N88-N90 PolarHBondContact O-N 2.94Å; N88-N90 WeakPolarHBondContact OD1-CB 3.39Å; N88-N90 PolarHBondContact OD1-N 2.79Å; N88-N90 PolarHBondContact OD1-ND2 2.84Å; N88-I91 VanDerWaalsContact O-CG1 3.27Å; N88-I91 WeakPolarHBondContact O-CG1 3Å; N88-E105 PolarHBondContact ND2-O 2.82Å; N88-Y107 HydrophobicContact CB-CD2 4.01Å; N88-Y107 HydrophobicContact CB-CE1 4.33Å; N88-Y107 HydrophobicContact CB-CE2 3.79Å; N88-Y107 HydrophobicContact CB-CG 4.38Å; N88-Y107 WeakPolarHBondContact CB-O 3.44Å; N88-Y107 PolarHBondContact ND2-O 3.44Å; N88-I108 PolarHBondContact N-O 2.8Å
89E82.9Confident82.4Confident100 Ų10051.5 Ų51.547%0.46725%0.249SC..SBendtrans-77.2-17.8177.5-59.8-175.2-177.900112L42 V87 I91 L92 H93L42-E89 HydrophobicContact CD2-CG 3.75Å; V87-E89 PolarHBondContact O-N 2.85Å; E89-I91 VanDerWaalsContact C-N 3.26Å; E89-I91 PolarHBondContact O-N 2.88Å; E89-L92 HydrophobicContact CB-CD1 4.46Å; E89-L92 VanDerWaalsContact O-CB 3.24Å; E89-L92 WeakPolarHBondContact O-CB 3.44Å; E89-L92 PolarHBondContact O-N 2.78Å; E89-H93 PolarHBondContact O-CD2 2.76Å
90N83.4Confident82.6Confident99 Ų9954.7 Ų54.753%0.52926%0.259SS..Hα-helixtrans-64.3-31.7-177.8-57-58.5000112.2N88 L92 H93 K94 I97N88-N90 VanDerWaalsContact C-N 3.26Å; N88-N90 PolarHBondContact O-N 2.94Å; N88-N90 WeakPolarHBondContact OD1-CB 3.39Å; N88-N90 PolarHBondContact OD1-N 2.79Å; N88-N90 PolarHBondContact OD1-ND2 2.84Å; N90-L92 PolarHBondContact O-N 3.45Å; N90-H93 PolarHBondContact O-N 3.47Å; N90-H93 VanDerWaalsContact O-N 3.17Å; N90-K94 PolarHBondContact O-N 2.81Å; N90-I97 HydrophobicContact CB-CD1 3.73Å
91I84.3Confident82.7Confident0 Ų058.4 Ų58.40%028%0.275CS..Hα-helixtrans-68.4-18.7177.366.8165000112.6I31 Y33 N88 E89 K94 P95 I97 L98 I108I31-I91 HydrophobicContact CD1-CB 4.02Å; I31-I91 HydrophobicContact CD1-CD1 3.79Å; I31-I91 HydrophobicContact CD1-CG1 4.14Å; I31-I91 HydrophobicContact CG2-CD1 3.9Å; Y33-I91 HydrophobicContact CE2-CD1 4Å; Y33-I91 HydrophobicContact CE2-CG1 4.02Å; Y33-I91 WeakPolarHBondContact OH-CD1 3.35Å; N88-I91 VanDerWaalsContact O-CG1 3.27Å; N88-I91 WeakPolarHBondContact O-CG1 3Å; E89-I91 VanDerWaalsContact C-N 3.26Å; E89-I91 PolarHBondContact O-N 2.88Å; I91-K94 CarbonylContact O-C 3.5Å; I91-P95 WeakPolarHBondContact O-CA 3.28Å; I91-I97 HydrophobicContact CB-CD1 4.48Å; I91-I97 HydrophobicContact CG2-CD1 3.71Å; I91-I97 HydrophobicContact CG2-CG1 3.67Å; I91-L98 HydrophobicContact CB-CD1 3.99Å; I91-L98 HydrophobicContact CD1-CD1 3.56Å; I91-L98 HydrophobicContact CG1-CD1 4.37Å; I91-L98 HydrophobicContact CG2-CD1 3.91Å; I91-L98 HydrophobicContact CG2-CG 3.97Å; I91-I108 HydrophobicContact CD1-CG1 4.4Å
92L81.5Confident82.3Confident57 Ų5754.1 Ų54.130%0.29826%0.261SS..Hα-helixtrans-72.6-38.7173.4-60.4174.3000111.1I31 Y33 L42 E89 N90I31-L92 HydrophobicContact CB-CD2 4.24Å; I31-L92 HydrophobicContact CG2-CD2 4.41Å; I31-L92 WeakPolarHBondContact O-CD2 3.47Å; Y33-L92 HydrophobicContact CD2-CD1 3.94Å; Y33-L92 HydrophobicContact CD2-CD2 3.67Å; Y33-L92 HydrophobicContact CD2-CG 3.93Å; Y33-L92 HydrophobicContact CE2-CD1 4.31Å; Y33-L92 HydrophobicContact CE2-CD2 3.94Å; Y33-L92 HydrophobicContact CE2-CG 3.96Å; L42-L92 HydrophobicContact CD1-CD1 4.11Å; L42-L92 HydrophobicContact CD2-CD1 4.07Å; E89-L92 HydrophobicContact CB-CD1 4.46Å; E89-L92 VanDerWaalsContact O-CB 3.24Å; E89-L92 WeakPolarHBondContact O-CB 3.44Å; E89-L92 PolarHBondContact O-N 2.78Å; N90-L92 PolarHBondContact O-N 3.45Å
93H81.4Confident81.5Confident162 Ų16258.4 Ų58.475%0.7529%0.291SS*.Hα-helixtrans-81.6-38.9178.9-65.6-71.6000112.1E89 N90E89-H93 PolarHBondContact O-CD2 2.76Å; N90-H93 PolarHBondContact O-N 3.47Å; N90-H93 VanDerWaalsContact O-N 3.17Å
94K84.8Confident81.2Confident102 Ų10258 Ų5844%0.44330%0.299SS..  trans-133.881.9-179-166.2-179.2173.7-1620110.2N90 I91 S96 I97 E100N90-K94 PolarHBondContact O-N 2.81Å; I91-K94 CarbonylContact O-C 3.5Å; K94-S96 PolarHBondContact O-N 2.99Å; K94-S96 VanDerWaalsContact O-N 3.13Å; K94-I97 HydrophobicContact CB-CG2 4.16Å; K94-I97 HydrophobicContact CD-CG2 3.61Å; K94-I97 HydrophobicContact CG-CG2 3.85Å; K94-I97 VanDerWaalsContact O-CG1 3.29Å; K94-I97 WeakPolarHBondContact O-CG1 3.46Å; K94-I97 PolarHBondContact O-N 3.11Å; K94-E100 IonicContact NZ-OE2 2.88Å; K94-E100 PolarHBondContact NZ-OE2 3.41Å
95P84.2Confident81Confident19 Ų1962.7 Ų62.712%0.12332%0.321CS..THydrogen-bonded Turntrans-64.5-19-178.426.3-35.2000113.4I28 I31 I91 I97 L98I28-P95 HydrophobicContact CB-CB 3.95Å; I28-P95 HydrophobicContact CG2-CB 3.58Å; I28-P95 HydrophobicContact CG2-CG 4.39Å; I31-P95 HydrophobicContact CD1-CB 3.93Å; I31-P95 HydrophobicContact CG1-CB 4.17Å; I91-P95 WeakPolarHBondContact O-CA 3.28Å; P95-I97 PolarHBondContact O-N 2.74Å; P95-L98 WeakPolarHBondContact O-CB 3.4Å; P95-L98 PolarHBondContact O-N 3.15Å
96S83.6Confident81.1Confident48 Ų4860.2 Ų60.234%0.33631%0.309SS..THydrogen-bonded Turntrans-59.9-27.8176-44.40000113.5K94 L98 Q99 E100K94-S96 PolarHBondContact O-N 2.99Å; K94-S96 VanDerWaalsContact O-N 3.13Å; S96-L98 PolarHBondContact O-N 3.26Å; S96-Q99 PolarHBondContact O-N 3.06Å; S96-E100 WeakPolarHBondContact O-CG 3.39Å; S96-E100 PolarHBondContact O-N 3.24Å
97I85.8Confident81.3Confident10 Ų1058.1 Ų58.15%0.05130%0.298CS..Hα-helixtrans-65.7-24.5-178.672.4-170.5000112.6N90 I91 K94 P95 Q99 K101 G106N90-I97 HydrophobicContact CB-CD1 3.73Å; I91-I97 HydrophobicContact CB-CD1 4.48Å; I91-I97 HydrophobicContact CG2-CD1 3.71Å; I91-I97 HydrophobicContact CG2-CG1 3.67Å; K94-I97 HydrophobicContact CB-CG2 4.16Å; K94-I97 HydrophobicContact CD-CG2 3.61Å; K94-I97 HydrophobicContact CG-CG2 3.85Å; K94-I97 VanDerWaalsContact O-CG1 3.29Å; K94-I97 WeakPolarHBondContact O-CG1 3.46Å; K94-I97 PolarHBondContact O-N 3.11Å; P95-I97 PolarHBondContact O-N 2.74Å; I97-Q99 PolarHBondContact O-N 3.07Å; I97-K101 CarbonylContact O-C 3.54Å; I97-K101 WeakPolarHBondContact O-CA 3.47Å; I97-K101 PolarHBondContact O-N 2.8Å; I97-G106 WeakPolarHBondContact O-CA 3.39Å
98L80.9Confident81.4Confident0 Ų057.2 Ų57.20%029%0.292CS..Hα-helixtrans-65.2-26.6173.8-116.5161.8000112.2L15 I28 I31 I91 P95 S96 G106 I108L15-L98 HydrophobicContact CB-CD2 4.15Å; L15-L98 HydrophobicContact CD1-CD2 3.64Å; L15-L98 HydrophobicContact CG-CD2 3.65Å; I28-L98 HydrophobicContact CD1-CB 4.11Å; I31-L98 HydrophobicContact CD1-CD1 3.22Å; I91-L98 HydrophobicContact CB-CD1 3.99Å; I91-L98 HydrophobicContact CD1-CD1 3.56Å; I91-L98 HydrophobicContact CG1-CD1 4.37Å; I91-L98 HydrophobicContact CG2-CD1 3.91Å; I91-L98 HydrophobicContact CG2-CG 3.97Å; P95-L98 WeakPolarHBondContact O-CB 3.4Å; P95-L98 PolarHBondContact O-N 3.15Å; S96-L98 PolarHBondContact O-N 3.26Å; L98-G106 VanDerWaalsContact CD2-O 3.3Å; L98-G106 WeakPolarHBondContact CD2-O 3.44Å; L98-I108 HydrophobicContact CD1-CG1 4.39Å; L98-I108 HydrophobicContact CD2-CD1 4.18Å; L98-I108 HydrophobicContact CD2-CG1 4.04Å
99Q80.3Confident81.5Confident55 Ų5557.2 Ų57.226%0.25729%0.292SS..Hα-helixtrans-96.5-42.2177.9-63.5-179.3-47.100112.1V21 L22 K26 I28 S96 I97V21-Q99 PolarHBondContact O-NE2 3.37Å; L22-Q99 HydrophobicContact CD2-CB 4.33Å; L22-Q99 HydrophobicContact CD2-CG 4.39Å; K26-Q99 PolarHBondContact O-NE2 3.43Å; I28-Q99 HydrophobicContact CD1-CG 4.01Å; S96-Q99 PolarHBondContact O-N 3.06Å; I97-Q99 PolarHBondContact O-N 3.07Å
100E81.3Confident81.6Confident120 Ų12053.5 Ų53.556%0.56128%0.276SS*.Hα-helixtrans-69.3-37.5-179.4-69174.3-175.800112.2K94 S96K94-E100 IonicContact NZ-OE2 2.88Å; K94-E100 PolarHBondContact NZ-OE2 3.41Å; S96-E100 WeakPolarHBondContact O-CG 3.39Å; S96-E100 PolarHBondContact O-N 3.24Å
101K81.1Confident81.6Confident82 Ų8248.8 Ų48.836%0.35725%0.251SS..  trans-14255-169.1-70.3-175.4-176.3173.40112.7I97 S103 T104 E105 G106I97-K101 CarbonylContact O-C 3.54Å; I97-K101 WeakPolarHBondContact O-CA 3.47Å; I97-K101 PolarHBondContact O-N 2.8Å; K101-S103 PolarHBondContact O-N 3.44Å; K101-S103 VanDerWaalsContact O-N 3.11Å; K101-T104 WeakPolarHBondContact CB-OG1 3.23Å; K101-T104 PolarHBondContact O-N 3.28Å; K101-T104 VanDerWaalsContact O-N 3.15Å; K101-E105 HydrophobicContact CB-CB 4.38Å; K101-E105 HydrophobicContact CD-CB 4.17Å; K101-E105 HydrophobicContact CD-CG 4.27Å; K101-E105 WeakPolarHBondContact CD-OE2 3.43Å; K101-E105 IonicContact NZ-OE1 2.67Å; K101-E105 PolarHBondContact NZ-OE1 3.35Å; K101-E105 IonicContact NZ-OE2 2.78Å; K101-E105 PolarHBondContact NZ-OE2 3.27Å; K101-E105 PolarHBondContact O-N 3.14Å; K101-G106 VanDerWaalsContact O-CA 3.28Å; K101-G106 WeakPolarHBondContact O-CA 3.25Å; K101-G106 PolarHBondContact O-N 2.57Å
102P73.6Confident81.5Confident17 Ų1751 Ų5111%0.1126%0.262CS..THydrogen-bonded Turntrans-58.6-29.4-176.223.8-34.1000113.7T14T14-P102 WeakPolarHBondContact CB-O 3.37Å; T14-P102 WeakPolarHBondContact CG2-O 3.24Å
103S66.9Low81.4Confident90 Ų9048.9 Ų48.963%0.62925%0.252SS*.THydrogen-bonded Turntrans-89.7-8.7-177-520000114.7K101K101-S103 PolarHBondContact O-N 3.44Å; K101-S103 VanDerWaalsContact O-N 3.11Å
104T76Confident80.9Confident90 Ų9046.5 Ų46.555%0.55224%0.24SC*.THydrogen-bonded Turntrans-125.5-90.8-178.657.50000111.1K101 G106 Y107K101-T104 WeakPolarHBondContact CB-OG1 3.23Å; K101-T104 PolarHBondContact O-N 3.28Å; K101-T104 VanDerWaalsContact O-N 3.15Å; T104-G106 VanDerWaalsContact C-N 3.32Å; T104-G106 PolarHBondContact O-N 2.81Å; T104-Y107 WeakPolarHBondContact O-CD1 3.46Å
105E78.6Confident79.6Confident99 Ų9950.7 Ų50.746%0.46326%0.258SS..THydrogen-bonded Turntrans-79.2-13.6-175.6-70.8164.7-153.100113.5N88 K101N88-E105 PolarHBondContact ND2-O 2.82Å; K101-E105 HydrophobicContact CB-CB 4.38Å; K101-E105 HydrophobicContact CD-CB 4.17Å; K101-E105 HydrophobicContact CD-CG 4.27Å; K101-E105 WeakPolarHBondContact CD-OE2 3.43Å; K101-E105 IonicContact NZ-OE1 2.67Å; K101-E105 PolarHBondContact NZ-OE1 3.35Å; K101-E105 IonicContact NZ-OE2 2.78Å; K101-E105 PolarHBondContact NZ-OE2 3.27Å; K101-E105 PolarHBondContact O-N 3.14Å
106G82.6Confident78.1Confident0 Ų058.6 Ų58.60%029%0.294CS..THydrogen-bonded Turntrans-91.517.3-177.700000115.2I97 L98 K101 T104I97-G106 WeakPolarHBondContact O-CA 3.39Å; L98-G106 VanDerWaalsContact CD2-O 3.3Å; L98-G106 WeakPolarHBondContact CD2-O 3.44Å; K101-G106 VanDerWaalsContact O-CA 3.28Å; K101-G106 WeakPolarHBondContact O-CA 3.25Å; K101-G106 PolarHBondContact O-N 2.57Å; T104-G106 VanDerWaalsContact C-N 3.32Å; T104-G106 PolarHBondContact O-N 2.81Å
107Y86.4Confident76.6Confident51 Ų5159.8 Ų59.820%0.229%0.294CS..  trans-65.6151.9173.270.9-79000111.3V12 E86 N88 T104 V110V12-Y107 HydrophobicContact CG1-CG 4.32Å; E86-Y107 PolarHBondContact OE1-OH 2.8Å; N88-Y107 HydrophobicContact CB-CD2 4.01Å; N88-Y107 HydrophobicContact CB-CE1 4.33Å; N88-Y107 HydrophobicContact CB-CE2 3.79Å; N88-Y107 HydrophobicContact CB-CG 4.38Å; N88-Y107 WeakPolarHBondContact CB-O 3.44Å; N88-Y107 PolarHBondContact ND2-O 3.44Å; T104-Y107 WeakPolarHBondContact O-CD1 3.46Å; Y107-V110 HydrophobicContact CD2-CG2 4.02Å; Y107-V110 HydrophobicContact CE2-CG2 3.98Å
108I86.4Confident74.8Confident0 Ų061.4 Ų61.40%031%0.306CS..  trans-97-47.6-178.7-65.2176.3000110.4L2 I13 L15 Y33 L63 C64 V76 N88 I91 L98L2-I108 HydrophobicContact CD2-CD1 4.42Å; I13-I108 PolarHBondContact O-N 2.76Å; L15-I108 HydrophobicContact CD2-CD1 4.14Å; L15-I108 HydrophobicContact CG-CD1 4.04Å; Y33-I108 HydrophobicContact CE1-CG2 3.93Å; Y33-I108 PolarHBondContact OH-O 3.13Å; L63-I108 HydrophobicContact CB-CG2 4.45Å; L63-I108 HydrophobicContact CD1-CG2 4.47Å; C64-I108 VanDerWaalsContact SG-CG2 3.58Å; V76-I108 HydrophobicContact CB-CD1 4.34Å; V76-I108 HydrophobicContact CG1-CD1 3.8Å; V76-I108 HydrophobicContact CG1-CG2 4.39Å; V76-I108 HydrophobicContact CG2-CD1 3.99Å; N88-I108 PolarHBondContact N-O 2.8Å; I91-I108 HydrophobicContact CD1-CG1 4.4Å; L98-I108 HydrophobicContact CD1-CG1 4.39Å; L98-I108 HydrophobicContact CD2-CD1 4.18Å; L98-I108 HydrophobicContact CD2-CG1 4.04Å
109A85.6Confident73.3Confident0 Ų070 Ų700%034%0.343CS..EExtended strand (participates in β ladder)trans-154.9154.1-175.900000111.2I13 L63 L84 E86 V87I13-A109 HydrophobicContact CB-CB 4.46Å; I13-A109 PolarHBondContact N-O 3.29Å; I13-A109 PolarHBondContact O-N 3.25Å; L63-A109 HydrophobicContact CD1-CB 3.91Å; L63-A109 HydrophobicContact CD2-CB 4.18Å; L84-A109 HydrophobicContact CD1-CB 3.76Å; E86-A109 CarbonylContact O-C 3.56Å; E86-A109 VanDerWaalsContact O-CA 3.26Å; E86-A109 WeakPolarHBondContact O-CA 3.33Å; V87-A109 HydrophobicContact CG1-CB 4.29Å
110V85.4Confident72Confident23 Ų2371 Ų7114%0.13936%0.357CS..EExtended strand (participates in β ladder)trans-111.9124.1169.6-1760000108.1I10 V12 M85 E86 Y107I10-V110 HydrophobicContact CB-CG1 4.31Å; V12-V110 HydrophobicContact CG2-CG2 4.47Å; M85-V110 HydrophobicContact CB-CB 4.38Å; M85-V110 HydrophobicContact CB-CG1 4.31Å; M85-V110 WeakPolarHBondContact CB-O 2.9Å; M85-V110 PolarHBondContact N-O 3.42Å; E86-V110 HydrophobicContact CB-CB 4.12Å; E86-V110 HydrophobicContact CB-CG2 4.31Å; E86-V110 PolarHBondContact N-O 2.83Å; E86-V110 PolarHBondContact O-N 3.06Å; Y107-V110 HydrophobicContact CD2-CG2 4.02Å; Y107-V110 HydrophobicContact CE2-CG2 3.98Å
111V83.6Confident70.6Confident0 Ų066.6 Ų66.60%034%0.337CS..EExtended strand (participates in β ladder)trans-117.7133.1-178.7-174.90000109.1C11 I13 L57 V80 R83 L84 P113C11-V111 PolarHBondContact N-O 3.46Å; C11-V111 PolarHBondContact O-N 3.32Å; I13-V111 HydrophobicContact CG1-CG2 3.99Å; L57-V111 HydrophobicContact CD1-CG2 3.91Å; V80-V111 HydrophobicContact CG2-CB 3.92Å; V80-V111 HydrophobicContact CG2-CG1 3.84Å; V80-V111 HydrophobicContact CG2-CG2 4.36Å; R83-V111 CarbonylContact O-C 3.52Å; R83-V111 WeakPolarHBondContact O-CA 3.44Å; L84-V111 HydrophobicContact CD1-CG2 4.32Å; V111-P113 VanDerWaalsContact O-CD 3.25Å; V111-P113 WeakPolarHBondContact O-CD 3.25Å
112L82.6Confident69.2Low45 Ų4566.6 Ų66.624%0.23634%0.344CS..EExtended strand (participates in β ladder)trans-97.4104.4172.4-172.882.3000109.3G9 I10 K51 G82 R83 M85G9-L112 VanDerWaalsContact O-CD1 3.29Å; G9-L112 WeakPolarHBondContact O-CD1 3Å; I10-L112 HydrophobicContact CG2-CD1 3.54Å; K51-L112 VanDerWaalsContact NZ-CD2 3.27Å; G82-L112 CarbonylContact C-O 3.38Å; G82-L112 VanDerWaalsContact CA-O 3.24Å; G82-L112 WeakPolarHBondContact CA-O 3.42Å; R83-L112 PolarHBondContact N-O 3.06Å; R83-L112 PolarHBondContact O-N 3.39Å; M85-L112 HydrophobicContact CG-CB 3.58Å; M85-L112 HydrophobicContact SD-CB 3.79Å; M85-L112 HydrophobicContact SD-CD2 4.16Å
113P78.9Confident68.2Low13 Ų1374.2 Ų74.28%0.08438%0.378CS..EExtended strand (participates in β ladder)trans-61.8154.6173.225.5-34.1000111.6G9 R81 V111 I121G9-P113 WeakPolarHBondContact O-CD 3.2Å; R81-P113 WeakPolarHBondContact O-CA 3.5Å; V111-P113 VanDerWaalsContact O-CD 3.25Å; V111-P113 WeakPolarHBondContact O-CD 3.25Å; P113-I121 HydrophobicContact CB-CD1 3.68Å
114K69.7Low67.4Low113 Ų11373.3 Ų73.349%0.49138%0.383SS..  trans-71.3138.1171.9-94.3-172.9172.8-172.90109.4F56 E116 E117 S118F56-K114 HydrophobicContact CE2-CD 4.44Å; K114-E116 PolarHBondContact O-N 3Å; K114-E116 VanDerWaalsContact O-N 3.14Å; K114-E117 PolarHBondContact O-N 2.86Å; K114-E117 VanDerWaalsContact O-N 3.09Å; K114-S118 PolarHBondContact O-N 3.34Å
115F57.4Low66.3Low189 Ų18971.1 Ų71.183%0.82937%0.367SS*.G310 helixtrans-58.1-30.3-172.8-147.8-98.2000113.4E117 S118F115-E117 PolarHBondContact O-N 3.32Å; F115-S118 PolarHBondContact O-OG 2.93Å
116E54.4Low65Low186 Ų18672.4 Ų72.487%0.86938%0.377SS*.G310 helixtrans-71-22.5178.7-76.3174.7154.900114.7K114K114-E116 PolarHBondContact O-N 3Å; K114-E116 VanDerWaalsContact O-N 3.14Å
117E51.5Low63.3Low73 Ų7378.2 Ų78.234%0.34141%0.413SS..G310 helixtrans-102.9-2.6179.1-76.1176.5-173.100113K114 F115 K119 S120 I121K114-E117 PolarHBondContact O-N 2.86Å; K114-E117 VanDerWaalsContact O-N 3.09Å; F115-E117 PolarHBondContact O-N 3.32Å; E117-K119 PolarHBondContact O-N 3.09Å; E117-K119 VanDerWaalsContact O-N 3.12Å; E117-S120 PolarHBondContact O-N 3.12Å; E117-I121 HydrophobicContact CB-CD1 4.16Å; E117-I121 WeakPolarHBondContact O-CG1 3.26Å; E117-I121 PolarHBondContact O-N 3.45Å; E117-I121 VanDerWaalsContact O-N 3.16Å
118S48.6Very low61.2Low44 Ų4483.2 Ų83.231%0.30844%0.438SS..Hα-helixtrans-58.6-27.9-175.659.10000114.2K114 F115 T122K114-S118 PolarHBondContact O-N 3.34Å; F115-S118 PolarHBondContact O-OG 2.93Å; S118-T122 PolarHBondContact O-OG1 3.14Å
119K48.8Very low58.9Low179 Ų17996.5 Ų96.578%0.77850%0.495SS*.Hα-helixtrans-74.1-38.6175.6-74-174.2176-177.10112.8E117E117-K119 PolarHBondContact O-N 3.09Å; E117-K119 VanDerWaalsContact O-N 3.12Å
120S51.7Low57.5Low78 Ų78101.3 Ų101.355%0.54552%0.52SS..Hα-helixtrans-80.9-29.8-174.8-51.50000113.4E117 T122 E123E117-S120 PolarHBondContact O-N 3.12Å; S120-T122 PolarHBondContact O-N 3.05Å; S120-E123 PolarHBondContact O-N 3.49Å; S120-E123 VanDerWaalsContact O-N 3.14Å
121I53.5Low56.1Low27 Ų27105.4 Ų105.414%0.13854%0.54CS..Hα-helixtrans-64-30.9178.3-65.2163.7000111V80 P113 E117 E123 G124 L125V80-I121 HydrophobicContact CG1-CG2 4.2Å; P113-I121 HydrophobicContact CB-CD1 3.68Å; E117-I121 HydrophobicContact CB-CD1 4.16Å; E117-I121 WeakPolarHBondContact O-CG1 3.26Å; E117-I121 PolarHBondContact O-N 3.45Å; E117-I121 VanDerWaalsContact O-N 3.16Å; I121-E123 PolarHBondContact O-N 3.16Å; I121-G124 PolarHBondContact O-N 3.12Å; I121-L125 HydrophobicContact CG2-CD1 3.72Å; I121-L125 HydrophobicContact CG2-CG 4.26Å; I121-L125 WeakPolarHBondContact O-CD1 3.47Å; I121-L125 VanDerWaalsContact O-CG 3.28Å; I121-L125 WeakPolarHBondContact O-CG 3.28Å; I121-L125 PolarHBondContact O-N 3.19Å
122T51.8Low54.5Low82 Ų82111.3 Ų111.350%0.50357%0.57SS.*Hα-helixtrans-67.4-23.1177.6-31.70000112.9S118 S120S118-T122 PolarHBondContact O-OG1 3.14Å; S120-T122 PolarHBondContact O-N 3.05Å
123E52.6Low52.9Low176 Ų176115.2 Ų115.282%0.82259%0.59SS**Hα-helixtrans-85.2-23.5179.7-67-178.1160.600113.2S120 I121S120-E123 PolarHBondContact O-N 3.49Å; S120-E123 VanDerWaalsContact O-N 3.14Å; I121-E123 PolarHBondContact O-N 3.16Å
124G49.8Very low51.3Low72 Ų72121.6 Ų121.674%0.74262%0.622SS**Hα-helixtrans-94.9-6.9-179.500000115.1I121I121-G124 PolarHBondContact O-N 3.12Å
125L53.5Low50Low43 Ų43122.1 Ų122.123%0.22563%0.63CS.*SBendtrans-91.9135.1-179.8-70.8172.4000110.6S4 V6 I121 T127S4-L125 VanDerWaalsContact OG-CD1 3.26Å; S4-L125 WeakPolarHBondContact OG-CD1 3.29Å; S4-L125 WeakPolarHBondContact OG-CD2 3.41Å; V6-L125 HydrophobicContact CG2-CD1 3.52Å; I121-L125 HydrophobicContact CG2-CD1 3.72Å; I121-L125 HydrophobicContact CG2-CG 4.26Å; I121-L125 WeakPolarHBondContact O-CD1 3.47Å; I121-L125 VanDerWaalsContact O-CG 3.28Å; I121-L125 WeakPolarHBondContact O-CG 3.28Å; I121-L125 PolarHBondContact O-N 3.19Å; L125-T127 PolarHBondContact O-N 3.14Å
126L50.2Low49.5Very low126 Ų126117.4 Ų117.466%0.6662%0.616SS**  trans-59.897.7173-79.8157.4000109.5I1 Q128I1-L126 HydrophobicContact CB-CD1 4.28Å; I1-L126 HydrophobicContact CD1-CD1 3.85Å; I1-L126 HydrophobicContact CG2-CD1 3.71Å; L126-Q128 PolarHBondContact O-N 3.31Å
127T47.7Very low49.1Very low123 Ų123112.1 Ų112.176%0.75560%0.597SS**  trans-64.3121161.239.60000108.2L125 K129L125-T127 PolarHBondContact O-N 3.14Å; T127-K129 PolarHBondContact O-N 2.72Å
128Q42.5Very low48.9Very low156 Ų156115.3 Ų115.373%0.72962%0.618SS**  trans-54.2129.3170.2-76.9-175.126.100109.3H3 L126H3-Q128 PolarHBondContact NE2-NE2 3.46Å; L126-Q128 PolarHBondContact O-N 3.31Å
129K36.4Very low49Very low278 Ų278121.8 Ų121.8100%1.20965%0.646SS**  trans-94.30158.2-107-170.3178-176.10108.4T127T127-K129 PolarHBondContact O-N 2.72Å

Retrieved 129 of 129 residues in 105.1 ms (Link to these results)

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