A0A077ZCS4_TRITR Loading...

Ornithine decarboxylase antizyme

AlphaFold DB , UniProt , Accession A0A077ZCS4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 105 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
1M65.8Low65.8Low164 Ų16499.2 Ų99.281%0.80854%0.542SS*.  0137.60173.6176.1169.900108.1I3 V19M1-I3 HydrophobicContact CE-CG1 4.36Å; M1-V19 PolarHBondContact O-N 3.36Å; M1-V19 VanDerWaalsContact O-N 3.08Å
2T73.1Confident65.4Low87 Ų8799.7 Ų99.753%0.53456%0.558SS.*EExtended strand (participates in β ladder)trans-106.3130.1177.9-56.10000110F16 A17T2-F16 HydrophobicContact CG2-CD1 4.16Å; T2-A17 CarbonylContact C-O 3.56Å; T2-A17 VanDerWaalsContact CA-O 3.23Å; T2-A17 WeakPolarHBondContact CA-O 3.18Å
3I74.2Confident65.5Low19 Ų1995.1 Ų95.110%0.09753%0.528CS..EExtended strand (participates in β ladder)trans-108.1135.9176.6-56.2159.4000108.1M1 L5 F16 A17 V19 F48 L53M1-I3 HydrophobicContact CE-CG1 4.36Å; I3-L5 HydrophobicContact CG2-CD2 4.1Å; I3-L5 HydrophobicContact CG2-CG 4.17Å; I3-F16 WeakPolarHBondContact O-CA 3.39Å; I3-A17 HydrophobicContact CB-CB 4.07Å; I3-A17 HydrophobicContact CD1-CB 4.49Å; I3-A17 PolarHBondContact N-O 3.17Å; I3-A17 PolarHBondContact O-N 3.03Å; I3-V19 HydrophobicContact CD1-CG2 3.74Å; I3-F48 HydrophobicContact CD1-CE1 4.1Å; I3-F48 HydrophobicContact CG2-CE1 4.37Å; I3-L53 HydrophobicContact CD1-CD1 3.48Å; I3-L53 VanDerWaalsContact CD1-CD1 3.48Å
4V73.3Confident66.2Low73 Ų7390.8 Ų90.844%0.44251%0.506SS..EExtended strand (participates in β ladder)trans-118.5116.8-178.9-178.80000108K6 T14 W15 F16V4-K6 HydrophobicContact CG1-CG 4.45Å; V4-T14 HydrophobicContact CG1-CG2 3.45Å; V4-T14 VanDerWaalsContact CG1-CG2 3.45Å; V4-W15 WeakPolarHBondContact CA-O 3.35Å; V4-F16 HydrophobicContact CG2-CD1 4.09Å; V4-F16 HydrophobicContact CG2-CE1 4.02Å
5L65.3Low67.4Low35 Ų3584.9 Ų84.918%0.18347%0.473CS..EExtended strand (participates in β ladder)trans-110.1129.4-178.9-60.5166.3000110.3I3 T14 W15 A45I3-L5 HydrophobicContact CG2-CD2 4.1Å; I3-L5 HydrophobicContact CG2-CG 4.17Å; L5-T14 WeakPolarHBondContact O-CA 3.22Å; L5-W15 HydrophobicContact CB-CB 4.28Å; L5-W15 PolarHBondContact N-O 3.09Å; L5-W15 PolarHBondContact O-N 3.26Å; L5-W15 VanDerWaalsContact O-N 3.16Å; L5-A45 HydrophobicContact CD1-CB 3.04Å
6K66.2Low68.4Low149 Ų14985.9 Ų85.965%0.64847%0.471SS*.  trans-126.1139.8-177-65.1-178.1179.6177.60111V4V4-K6 HydrophobicContact CG1-CG 4.45Å
7P62.6Low69.6Low31 Ų3181.1 Ų81.120%0.20145%0.445CS..  trans-58.1148.5171.5-22.728.1000112.3K9 T11 F13 C41P7-K9 VanDerWaalsContact C-N 3.28Å; P7-K9 PolarHBondContact O-N 3.02Å; P7-T11 WeakPolarHBondContact CG-O 3.18Å; P7-F13 WeakPolarHBondContact CD-O 3.35Å; P7-F13 HydrophobicContact CG-CB 3.89Å; P7-F13 HydrophobicContact CG-CD2 4.21Å; P7-C41 WeakPolarHBondContact CD-SG 3.35Å; P7-C41 WeakPolarHBondContact CG-SG 3.47Å
8A67.3Low70.7Confident110 Ų11078.4 Ų78.491%0.90943%0.431SS*.SBendtrans-71-16.8178.800000114.6
9K61.3Low71.6Confident177 Ų17776.1 Ų76.177%0.7742%0.42SS*.SBendtrans-130112.8-177.1-72.6-173.3178-177.80111.9P7 T11P7-K9 VanDerWaalsContact C-N 3.28Å; P7-K9 PolarHBondContact O-N 3.02Å; K9-T11 PolarHBondContact O-N 3.48Å; K9-T11 PolarHBondContact O-OG1 3.44Å; K9-T11 VanDerWaalsContact O-OG1 3.14Å
10D56.2Low72.3Confident184 Ų18478 Ų7898%0.98442%0.421SS*.SBendtrans32.67.9158.7-117.4-0.1000122.1
11T58.6Low72.8Confident62 Ų6276.5 Ų76.538%0.3842%0.416SS..  trans-118.5109.6169.18.20000107P7 K9 F13 N37P7-T11 WeakPolarHBondContact CG-O 3.18Å; K9-T11 PolarHBondContact O-N 3.48Å; K9-T11 PolarHBondContact O-OG1 3.44Å; K9-T11 VanDerWaalsContact O-OG1 3.14Å; T11-F13 VanDerWaalsContact C-N 3.34Å; T11-F13 HydrophobicContact CG2-CE2 3.85Å; T11-F13 PolarHBondContact O-N 2.8Å; T11-N37 PolarHBondContact OG1-ND2 3.25Å
12S61.3Low73.6Confident105 Ų10579.5 Ų79.573%0.73442%0.419SS*.  trans-80.978-174.761.30000111.2
13F66.8Low74.3Confident40 Ų4079.9 Ų79.918%0.17542%0.416CS..  trans-83.6130.7163.5-66.9-82.1000108.6P7 T11 V32 A35 N37P7-F13 WeakPolarHBondContact CD-O 3.35Å; P7-F13 HydrophobicContact CG-CB 3.89Å; P7-F13 HydrophobicContact CG-CD2 4.21Å; T11-F13 VanDerWaalsContact C-N 3.34Å; T11-F13 HydrophobicContact CG2-CE2 3.85Å; T11-F13 PolarHBondContact O-N 2.8Å; F13-V32 HydrophobicContact CE1-CB 4.09Å; F13-V32 HydrophobicContact CE1-CG1 4.1Å; F13-A35 HydrophobicContact CD1-CB 4.3Å; F13-A35 HydrophobicContact CE1-CB 3.48Å; F13-A35 VanDerWaalsContact CE1-CB 3.48Å; F13-A35 HydrophobicContact CE2-CB 4.29Å; F13-A35 HydrophobicContact CZ-CB 3.48Å; F13-A35 VanDerWaalsContact CZ-CB 3.48Å; F13-N37 HydrophobicContact CD2-CB 3.64Å; F13-N37 HydrophobicContact CE2-CB 3.78Å
14T74.3Confident75.1Confident35 Ų3582.9 Ų82.922%0.21543%0.426CS..  trans-121119-178.4-60.40000109.6V4 L5 F16V4-T14 HydrophobicContact CG1-CG2 3.45Å; V4-T14 VanDerWaalsContact CG1-CG2 3.45Å; L5-T14 WeakPolarHBondContact O-CA 3.22Å; T14-F16 HydrophobicContact CG2-CD2 4.22Å; T14-F16 HydrophobicContact CG2-CE1 4.09Å; T14-F16 HydrophobicContact CG2-CE2 3.75Å; T14-F16 HydrophobicContact CG2-CZ 3.67Å
15W84.1Confident76Confident3 Ų379.5 Ų79.51%0.01141%0.405CS..EExtended strand (participates in β ladder)trans-94.7130.8165.8-78.882000109V4 L5 L27 A29 P30 A33 S38 F42 V60 F76V4-W15 WeakPolarHBondContact CA-O 3.35Å; L5-W15 HydrophobicContact CB-CB 4.28Å; L5-W15 PolarHBondContact N-O 3.09Å; L5-W15 PolarHBondContact O-N 3.26Å; L5-W15 VanDerWaalsContact O-N 3.16Å; W15-L27 HydrophobicContact CE3-CB 4.18Å; W15-L27 HydrophobicContact CZ3-CB 4.14Å; W15-A29 HydrophobicContact CH2-CB 4.16Å; W15-A29 HydrophobicContact CZ3-CB 4.14Å; W15-P30 HydrophobicContact CD2-CG 4.24Å; W15-P30 HydrophobicContact CZ2-CG 4.33Å; W15-A33 HydrophobicContact CH2-CB 4.49Å; W15-A33 HydrophobicContact CZ2-CB 4.28Å; W15-S38 WeakPolarHBondContact CZ2-OG 2.92Å; W15-S38 PolarHBondContact NE1-O 2.88Å; W15-S38 PolarHBondContact NE1-OG 3.16Å; W15-F42 HydrophobicContact CE3-CD2 4.37Å; W15-F42 HydrophobicContact CH2-CB 4.21Å; W15-F42 AromaticContact CH2-CD2 3.51Å; W15-F42 HydrophobicContact CH2-CD2 3.51Å; W15-F42 HydrophobicContact CH2-CE2 4.26Å; W15-F42 HydrophobicContact CH2-CG 4.16Å; W15-F42 HydrophobicContact CZ2-CB 3.7Å; W15-F42 AromaticContact CZ2-CD2 3.92Å; W15-F42 HydrophobicContact CZ2-CD2 3.92Å; W15-F42 HydrophobicContact CZ2-CG 4.14Å; W15-F42 AromaticContact CZ3-CD2 3.78Å; W15-F42 HydrophobicContact CZ3-CD2 3.78Å; W15-F42 HydrophobicContact CZ3-CE2 4.38Å; W15-V60 HydrophobicContact CZ3-CG2 4.11Å; W15-F76 AromaticContact CH2-CE1 3.94Å; W15-F76 HydrophobicContact CH2-CE1 3.94Å; W15-F76 AromaticContact CH2-CZ 3.79Å; W15-F76 HydrophobicContact CH2-CZ 3.79Å
16F84.4Confident77.2Confident101 Ų10177.8 Ų77.844%0.44340%0.396SS..EExtended strand (participates in β ladder)trans-98.8135170.4-65.6-82000108.4T2 I3 V4 T14 H28T2-F16 HydrophobicContact CG2-CD1 4.16Å; I3-F16 WeakPolarHBondContact O-CA 3.39Å; V4-F16 HydrophobicContact CG2-CD1 4.09Å; V4-F16 HydrophobicContact CG2-CE1 4.02Å; T14-F16 HydrophobicContact CG2-CD2 4.22Å; T14-F16 HydrophobicContact CG2-CE1 4.09Å; T14-F16 HydrophobicContact CG2-CE2 3.75Å; T14-F16 HydrophobicContact CG2-CZ 3.67Å; F16-H28 HydrophobicContact CB-CB 4.22Å; F16-H28 PolarHBondContact O-CD2 3.22Å; F16-H28 PolarHBondContact O-N 3.04Å
17A88.2Confident78.5Confident3 Ų370.8 Ų70.83%0.02537%0.366CS..EExtended strand (participates in β ladder)trans-124.1140.417100000110.5T2 I3 V25 V26 L27T2-A17 CarbonylContact C-O 3.56Å; T2-A17 VanDerWaalsContact CA-O 3.23Å; T2-A17 WeakPolarHBondContact CA-O 3.18Å; I3-A17 HydrophobicContact CB-CB 4.07Å; I3-A17 HydrophobicContact CD1-CB 4.49Å; I3-A17 PolarHBondContact N-O 3.17Å; I3-A17 PolarHBondContact O-N 3.03Å; A17-V25 HydrophobicContact CB-CG2 3.93Å; A17-V26 CarbonylContact C-O 3.59Å; A17-V26 WeakPolarHBondContact CA-O 3.37Å; A17-L27 HydrophobicContact CB-CD2 3.62Å
18T89.2Confident79.8Confident33 Ų3371.4 Ų71.420%0.20237%0.366CS..EExtended strand (participates in β ladder)trans-114.1118.8172.3-61.30000109.6Y20 V25 V26 H28T18-Y20 HydrophobicContact CG2-CD2 4.01Å; T18-Y20 HydrophobicContact CG2-CE2 3.7Å; T18-V25 WeakPolarHBondContact O-CA 3.25Å; T18-V26 PolarHBondContact N-O 3.42Å; T18-V26 PolarHBondContact O-N 2.89Å; T18-H28 WeakPolarHBondContact CB-NE2 3.48Å; T18-H28 PolarHBondContact OG1-NE2 3.14Å
19V87.7Confident80.9Confident35 Ų3566.8 Ų66.821%0.21233%0.328CS..EExtended strand (participates in β ladder)trans-86.2113.1172.7-177.40000108.3M1 I3 S21 V25 L53M1-V19 PolarHBondContact O-N 3.36Å; M1-V19 VanDerWaalsContact O-N 3.08Å; I3-V19 HydrophobicContact CD1-CG2 3.74Å; V19-S21 VanDerWaalsContact CG1-O 3.25Å; V19-S21 WeakPolarHBondContact CG1-O 3.16Å; V19-V25 HydrophobicContact CG2-CG2 4.12Å; V19-L53 HydrophobicContact CG2-CD1 4.17Å
20Y85.6Confident82Confident114 Ų11459.1 Ų59.145%0.44730%0.296SS..EExtended strand (participates in β ladder)trans-90.9-35.3-178-81.4-85.8000112.7T18 R24 V26 F91T18-Y20 HydrophobicContact CG2-CD2 4.01Å; T18-Y20 HydrophobicContact CG2-CE2 3.7Å; Y20-R24 PolarHBondContact N-O 2.99Å; Y20-V26 HydrophobicContact CD2-CB 4.37Å; Y20-V26 HydrophobicContact CD2-CG2 3.76Å; Y20-V26 HydrophobicContact CE2-CB 3.94Å; Y20-V26 HydrophobicContact CE2-CG2 3.47Å; Y20-V26 VanDerWaalsContact CE2-CG2 3.47Å; Y20-F91 HydrophobicContact CD1-CB 3.95Å; Y20-F91 HydrophobicContact CD2-CB 4.47Å; Y20-F91 HydrophobicContact CD2-CD1 4.04Å; Y20-F91 HydrophobicContact CD2-CG 4.46Å; Y20-F91 HydrophobicContact CE1-CB 3.43Å; Y20-F91 VanDerWaalsContact CE1-CB 3.43Å; Y20-F91 HydrophobicContact CE1-CG 4.27Å; Y20-F91 HydrophobicContact CE2-CB 4.02Å; Y20-F91 AromaticContact CE2-CD1 3.91Å; Y20-F91 HydrophobicContact CE2-CD1 3.91Å; Y20-F91 AromaticContact CE2-CG 3.95Å; Y20-F91 HydrophobicContact CE2-CG 3.95Å; Y20-F91 HydrophobicContact CG-CB 4.43Å; Y20-F91 HydrophobicContact CG-CD1 4.48Å; Y20-F91 VanDerWaalsContact CZ-CB 3.46Å; Y20-F91 AromaticContact CZ-CG 3.83Å
21S84.4Confident83Confident46 Ų4655.8 Ų55.832%0.32228%0.284SS..EExtended strand (participates in β ladder)trans-146.9176175.280.60000109.3V19 M23 R24V19-S21 VanDerWaalsContact CG1-O 3.25Å; V19-S21 WeakPolarHBondContact CG1-O 3.16Å; S21-M23 PolarHBondContact O-N 2.92Å; S21-M23 PolarHBondContact OG-N 3.33Å; S21-R24 PolarHBondContact N-O 3.16Å; S21-R24 PolarHBondContact O-N 2.67Å; S21-R24 WeakPolarHBondContact OG-CB 3.39Å; S21-R24 PolarHBondContact OG-N 2.92Å
22R81.8Confident83.6Confident228 Ų22856.9 Ų56.986%0.8629%0.291SS*.THydrogen-bonded Turntrans-56.9-22.4177.3-164.3175-177.2179.31.6113.6
23M88.1Confident83.8Confident94 Ų9452.5 Ų52.546%0.46326%0.261SS..THydrogen-bonded Turntrans-112-9.1-177.1-61.8-169.3-53.400113.6S21 C55 T56 E57S21-M23 PolarHBondContact O-N 2.92Å; S21-M23 PolarHBondContact OG-N 3.33Å; M23-C55 CarbonylContact O-C 3.51Å; M23-C55 WeakPolarHBondContact O-CA 3.49Å; M23-T56 PolarHBondContact O-N 3.1Å; M23-E57 PolarHBondContact O-N 3.19Å
24R90.6Very high83.5Confident82 Ų8255.5 Ų55.531%0.30928%0.277SS..EExtended strand (participates in β ladder)trans-122.9127.7-166.5-72.8165.1-174.2179.8-0.5112.7Y20 S21 E57 Y59 P90Y20-R24 PolarHBondContact N-O 2.99Å; S21-R24 PolarHBondContact N-O 3.16Å; S21-R24 PolarHBondContact O-N 2.67Å; S21-R24 WeakPolarHBondContact OG-CB 3.39Å; S21-R24 PolarHBondContact OG-N 2.92Å; R24-E57 WeakPolarHBondContact CA-O 3.14Å; R24-E57 HydrophobicContact CB-CB 4.5Å; R24-E57 HydrophobicContact CG-CB 3.58Å; R24-E57 HydrophobicContact CG-CG 4.34Å; R24-E57 IonicContact CZ-OE1 3.6Å; R24-E57 IonicContact CZ-OE2 3.65Å; R24-E57 VanDerWaalsContact CZ-OE2 3.27Å; R24-E57 VanDerWaalsContact NE-CD 3.28Å; R24-E57 IonicContact NE-OE1 2.71Å; R24-E57 PolarHBondContact NE-OE1 3.36Å; R24-E57 IonicContact NE-OE2 3.47Å; R24-E57 PolarHBondContact NE-OE2 3.35Å; R24-E57 IonicContact NH2-OE1 2.71Å; R24-E57 PolarHBondContact NH2-OE1 2.86Å; R24-E57 IonicContact NH2-OE2 3.2Å; R24-E57 PolarHBondContact NH2-OE2 3.2Å; R24-Y59 HydrophobicContact CG-CE2 4.38Å; R24-P90 VanDerWaalsContact NH1-CB 3.33Å
25V91.9Very high83Confident2 Ų255.1 Ų55.11%0.01228%0.277CS..EExtended strand (participates in β ladder)trans-131.8142.5173.5700000111.2A17 T18 V19 A49 C55 E57 L58 Y59A17-V25 HydrophobicContact CB-CG2 3.93Å; T18-V25 WeakPolarHBondContact O-CA 3.25Å; V19-V25 HydrophobicContact CG2-CG2 4.12Å; V25-A49 HydrophobicContact CG1-CB 3.77Å; V25-C55 HydrophobicContact CB-CB 4.47Å; V25-C55 HydrophobicContact CG1-CB 4.12Å; V25-E57 PolarHBondContact N-O 2.81Å; V25-E57 VanDerWaalsContact N-O 3.11Å; V25-L58 HydrophobicContact CG1-CB 4.47Å; V25-L58 HydrophobicContact CG1-CD2 3.56Å; V25-L58 HydrophobicContact CG1-CG 4.11Å; V25-Y59 PolarHBondContact O-N 2.94Å
26V91.6Very high82Confident0 Ų060.6 Ų60.60%031%0.311CS..EExtended strand (participates in β ladder)trans-111.3126.8168.8174.20000108.7A17 T18 Y20 Y59 D61 F91A17-V26 CarbonylContact C-O 3.59Å; A17-V26 WeakPolarHBondContact CA-O 3.37Å; T18-V26 PolarHBondContact N-O 3.42Å; T18-V26 PolarHBondContact O-N 2.89Å; Y20-V26 HydrophobicContact CD2-CB 4.37Å; Y20-V26 HydrophobicContact CD2-CG2 3.76Å; Y20-V26 HydrophobicContact CE2-CB 3.94Å; Y20-V26 HydrophobicContact CE2-CG2 3.47Å; Y20-V26 VanDerWaalsContact CE2-CG2 3.47Å; V26-Y59 CarbonylContact C-O 3.52Å; V26-Y59 WeakPolarHBondContact CA-O 3.47Å; V26-Y59 HydrophobicContact CG2-CD2 4.43Å; V26-Y59 HydrophobicContact CG2-CG 4.45Å; V26-D61 HydrophobicContact CG1-CB 4.15Å; V26-F91 HydrophobicContact CG2-CD1 3.57Å; V26-F91 HydrophobicContact CG2-CD2 4.44Å; V26-F91 HydrophobicContact CG2-CE1 3.05Å; V26-F91 HydrophobicContact CG2-CE2 3.98Å; V26-F91 HydrophobicContact CG2-CG 4.26Å; V26-F91 HydrophobicContact CG2-CZ 3.28Å
27L91.6Very high81.3Confident1 Ų158.8 Ų58.81%0.00531%0.306CS..EExtended strand (participates in β ladder)trans-93.8124.5168.5-64.4171.1000109.2W15 A17 F42 A45 V46 Y59 V60 D61W15-L27 HydrophobicContact CE3-CB 4.18Å; W15-L27 HydrophobicContact CZ3-CB 4.14Å; A17-L27 HydrophobicContact CB-CD2 3.62Å; L27-F42 HydrophobicContact CD1-CD2 4Å; L27-F42 HydrophobicContact CD1-CE2 3.68Å; L27-A45 HydrophobicContact CD1-CB 4.12Å; L27-A45 HydrophobicContact CD2-CB 3.71Å; L27-V46 HydrophobicContact CD1-CG2 3.73Å; L27-Y59 PolarHBondContact N-O 3.3Å; L27-V60 HydrophobicContact CB-CG2 4.15Å; L27-V60 CarbonylContact O-C 3.52Å; L27-V60 WeakPolarHBondContact O-CA 3.18Å; L27-V60 WeakPolarHBondContact O-CG2 3.21Å; L27-D61 PolarHBondContact O-N 3.28Å
28H90.6Very high80.7Confident45 Ų4558.7 Ų58.721%0.20831%0.305CS..EExtended strand (participates in β ladder)trans-92.4113.6-179.9-55-67.2000109.8F16 T18 P30 D61F16-H28 HydrophobicContact CB-CB 4.22Å; F16-H28 PolarHBondContact O-CD2 3.22Å; F16-H28 PolarHBondContact O-N 3.04Å; T18-H28 WeakPolarHBondContact CB-NE2 3.48Å; T18-H28 PolarHBondContact OG1-NE2 3.14Å; H28-P30 WeakPolarHBondContact O-CD 3.2Å; H28-D61 VanDerWaalsContact CA-OD1 3.29Å; H28-D61 WeakPolarHBondContact CA-OD1 3.35Å; H28-D61 IonicContact CE1-OD1 2.94Å; H28-D61 IonicContact CE1-OD2 3.27Å; H28-D61 PolarHBondContact CE1-OD2 3.07Å; H28-D61 IonicContact CG-OD1 3.71Å; H28-D61 IonicContact ND1-OD1 3.43Å; H28-D61 PolarHBondContact ND1-OD1 3.47Å; H28-D61 IonicContact ND1-OD2 3.35Å; H28-D61 PolarHBondContact ND1-OD2 3.23Å; H28-D61 VanDerWaalsContact ND1-OD2 3.1Å
29A90Very high80.2Confident13 Ų1362.6 Ų62.611%0.10732%0.319CS..  trans-70.4121.3-174.100000110.8W15 A33 V60 D61 F62 R66 F76W15-A29 HydrophobicContact CH2-CB 4.16Å; W15-A29 HydrophobicContact CZ3-CB 4.14Å; A29-A33 HydrophobicContact CB-CB 4.15Å; A29-V60 HydrophobicContact CB-CG2 4.29Å; A29-D61 PolarHBondContact N-O 3.5Å; A29-F62 HydrophobicContact CB-CB 4.07Å; A29-F62 HydrophobicContact CB-CD1 4.19Å; A29-R66 PolarHBondContact O-NH1 3.37Å; A29-F76 HydrophobicContact CB-CE2 4.13Å; A29-F76 HydrophobicContact CB-CZ 3.98Å
30P84.6Confident79.9Confident16 Ų1664.8 Ų64.810%0.10433%0.332CS..  trans-69.5161.9-177.326.3-33.3000112W15 H28 V32 A33 R66W15-P30 HydrophobicContact CD2-CG 4.24Å; W15-P30 HydrophobicContact CZ2-CG 4.33Å; H28-P30 WeakPolarHBondContact O-CD 3.2Å; P30-V32 PolarHBondContact O-N 2.94Å; P30-A33 HydrophobicContact CG-CB 4.08Å; P30-A33 VanDerWaalsContact O-CB 3.27Å; P30-A33 WeakPolarHBondContact O-CB 3.31Å; P30-A33 PolarHBondContact O-N 3.04Å; P30-R66 VanDerWaalsContact C-NH1 3.32Å; P30-R66 PolarHBondContact O-NH1 3.43Å; P30-R66 PolarHBondContact O-NH2 3.32Å
31P77.5Confident79.7Confident113 Ų11359.7 Ų59.773%0.73431%0.313SS*.THydrogen-bonded Turntrans-54.7-24.4179-26.734.8000114.4R66P31-R66 PolarHBondContact O-NH2 3.02Å
32V72Confident79.8Confident86 Ų8657.8 Ų57.852%0.52130%0.299SS..THydrogen-bonded Turntrans-117.436.7179.1-155.60000111F13 P30 M34 A35F13-V32 HydrophobicContact CE1-CB 4.09Å; F13-V32 HydrophobicContact CE1-CG1 4.1Å; P30-V32 PolarHBondContact O-N 2.94Å; V32-M34 PolarHBondContact O-N 2.94Å; V32-A35 HydrophobicContact CG1-CB 4.08Å; V32-A35 PolarHBondContact O-N 3.08Å; V32-A35 VanDerWaalsContact O-N 3.1Å
33A65.1Low80.1Confident13 Ų1349.7 Ų49.711%0.10727%0.273CS..THydrogen-bonded Turntrans-55.1-18.2-17800000114.1W15 A29 P30 S38 L72W15-A33 HydrophobicContact CH2-CB 4.49Å; W15-A33 HydrophobicContact CZ2-CB 4.28Å; A29-A33 HydrophobicContact CB-CB 4.15Å; P30-A33 HydrophobicContact CG-CB 4.08Å; P30-A33 VanDerWaalsContact O-CB 3.27Å; P30-A33 WeakPolarHBondContact O-CB 3.31Å; P30-A33 PolarHBondContact O-N 3.04Å; A33-S38 WeakPolarHBondContact CA-OG 3.45Å; A33-S38 VanDerWaalsContact O-CB 3.28Å; A33-S38 WeakPolarHBondContact O-CB 3.46Å; A33-S38 PolarHBondContact O-OG 2.91Å; A33-L72 HydrophobicContact CB-CD2 3.77Å
34M60.8Low79.9Confident103 Ų10349.2 Ų49.251%0.50727%0.272SS..THydrogen-bonded Turntrans-86.9-6.7-179.6-68.1-162.169.800116.1V32 T71 L72V32-M34 PolarHBondContact O-N 2.94Å; M34-T71 HydrophobicContact CE-CG2 3.19Å; M34-T71 HydrophobicContact SD-CG2 3.35Å; M34-T71 WeakPolarHBondContact SD-CG2 3.35Å; M34-L72 HydrophobicContact CG-CD2 4.35Å
35A63Low79.7Confident26 Ų2645.5 Ų45.522%0.21526%0.258CS..SBendtrans-66.7145.1176.200000111F13 V32 N37 S38 K39F13-A35 HydrophobicContact CD1-CB 4.3Å; F13-A35 HydrophobicContact CE1-CB 3.48Å; F13-A35 VanDerWaalsContact CE1-CB 3.48Å; F13-A35 HydrophobicContact CE2-CB 4.29Å; F13-A35 HydrophobicContact CZ-CB 3.48Å; F13-A35 VanDerWaalsContact CZ-CB 3.48Å; V32-A35 HydrophobicContact CG1-CB 4.08Å; V32-A35 PolarHBondContact O-N 3.08Å; V32-A35 VanDerWaalsContact O-N 3.1Å; A35-N37 PolarHBondContact O-N 2.83Å; A35-N37 VanDerWaalsContact O-N 3.13Å; A35-S38 WeakPolarHBondContact O-CA 3.48Å; A35-S38 WeakPolarHBondContact O-CB 3.23Å; A35-S38 PolarHBondContact O-N 3.08Å; A35-K39 PolarHBondContact O-N 3.35Å
36V63.6Low79.6Confident119 Ų11946.1 Ų46.172%0.72126%0.262SS*.Hα-helixtrans-49.7-44.9-178.6173.50000111.9S38 K39V36-S38 PolarHBondContact O-N 2.96Å; V36-K39 WeakPolarHBondContact O-CB 3.16Å; V36-K39 PolarHBondContact O-N 2.8Å; V36-K39 VanDerWaalsContact O-N 3.12Å
37N68.6Low79.4Confident63 Ų6350.8 Ų50.834%0.33728%0.284SS..Hα-helixtrans-67.7-23.9-178.9-62.16.3000112.7T11 F13 A35 C41T11-N37 PolarHBondContact OG1-ND2 3.25Å; F13-N37 HydrophobicContact CD2-CB 3.64Å; F13-N37 HydrophobicContact CE2-CB 3.78Å; A35-N37 PolarHBondContact O-N 2.83Å; A35-N37 VanDerWaalsContact O-N 3.13Å; N37-C41 PolarHBondContact O-N 2.99Å; N37-C41 PolarHBondContact O-SG 3.05Å; N37-C41 VanDerWaalsContact O-SG 3.33Å
38S76.7Confident79.2Confident0 Ų054.6 Ų54.60%030%0.301CS..Hα-helixtrans-69.3-36.6174178.50000111.6W15 A33 A35 V36 C41 F42W15-S38 WeakPolarHBondContact CZ2-OG 2.92Å; W15-S38 PolarHBondContact NE1-O 2.88Å; W15-S38 PolarHBondContact NE1-OG 3.16Å; A33-S38 WeakPolarHBondContact CA-OG 3.45Å; A33-S38 VanDerWaalsContact O-CB 3.28Å; A33-S38 WeakPolarHBondContact O-CB 3.46Å; A33-S38 PolarHBondContact O-OG 2.91Å; A35-S38 WeakPolarHBondContact O-CA 3.48Å; A35-S38 WeakPolarHBondContact O-CB 3.23Å; A35-S38 PolarHBondContact O-N 3.08Å; V36-S38 PolarHBondContact O-N 2.96Å; S38-C41 PolarHBondContact O-N 3.35Å; S38-F42 WeakPolarHBondContact O-CB 3.5Å; S38-F42 PolarHBondContact O-N 2.83Å
39K79.5Confident79.1Confident116 Ų11652.5 Ų52.550%0.50429%0.291SS..Hα-helixtrans-62.6-45.7177.6174.9173.8168.5172.90111.8A35 V36 C41 F42 I43 F79A35-K39 PolarHBondContact O-N 3.35Å; V36-K39 WeakPolarHBondContact O-CB 3.16Å; V36-K39 PolarHBondContact O-N 2.8Å; V36-K39 VanDerWaalsContact O-N 3.12Å; K39-C41 VanDerWaalsContact C-N 3.32Å; K39-C41 PolarHBondContact O-N 3.29Å; K39-F42 WeakPolarHBondContact O-CB 3.49Å; K39-F42 PolarHBondContact O-N 3.22Å; K39-I43 HydrophobicContact CG-CD1 4.09Å; K39-I43 WeakPolarHBondContact O-CG1 3.46Å; K39-I43 PolarHBondContact O-N 2.9Å; K39-F79 HydrophobicContact CD-CZ 3.89Å; K39-F79 HydrophobicContact CG-CZ 3.93Å
40T81.2Confident79Confident80 Ų8054.7 Ų54.749%0.49130%0.299SS..Hα-helixtrans-62.5-41.9176.7-54.50000111.1F42 I43 N44T40-F42 VanDerWaalsContact C-N 3.31Å; T40-F42 PolarHBondContact O-N 2.92Å; T40-I43 PolarHBondContact O-N 3.49Å; T40-N44 VanDerWaalsContact O-CG 3.28Å; T40-N44 PolarHBondContact O-N 3.11Å; T40-N44 VanDerWaalsContact O-N 3.07Å; T40-N44 PolarHBondContact O-OD1 2.71Å
41C81.4Confident79.3Confident7 Ų760.2 Ų60.25%0.04733%0.328CS..Hα-helixtrans-63.5-38.2175.6-70.10000112.8P7 N37 S38 K39 A45P7-C41 WeakPolarHBondContact CD-SG 3.35Å; P7-C41 WeakPolarHBondContact CG-SG 3.47Å; N37-C41 PolarHBondContact O-N 2.99Å; N37-C41 PolarHBondContact O-SG 3.05Å; N37-C41 VanDerWaalsContact O-SG 3.33Å; S38-C41 PolarHBondContact O-N 3.35Å; K39-C41 VanDerWaalsContact C-N 3.32Å; K39-C41 PolarHBondContact O-N 3.29Å; C41-A45 WeakPolarHBondContact O-CB 3.45Å; C41-A45 PolarHBondContact O-N 2.94Å
42F86.7Confident79.7Confident7 Ų759 Ų593%0.03132%0.321CS..Hα-helixtrans-63.2-46.3176.5172.6-104.3000112W15 L27 S38 K39 T40 N44 A45 V46 F76 F79 F81W15-F42 HydrophobicContact CE3-CD2 4.37Å; W15-F42 HydrophobicContact CH2-CB 4.21Å; W15-F42 AromaticContact CH2-CD2 3.51Å; W15-F42 HydrophobicContact CH2-CD2 3.51Å; W15-F42 HydrophobicContact CH2-CE2 4.26Å; W15-F42 HydrophobicContact CH2-CG 4.16Å; W15-F42 HydrophobicContact CZ2-CB 3.7Å; W15-F42 AromaticContact CZ2-CD2 3.92Å; W15-F42 HydrophobicContact CZ2-CD2 3.92Å; W15-F42 HydrophobicContact CZ2-CG 4.14Å; W15-F42 AromaticContact CZ3-CD2 3.78Å; W15-F42 HydrophobicContact CZ3-CD2 3.78Å; W15-F42 HydrophobicContact CZ3-CE2 4.38Å; L27-F42 HydrophobicContact CD1-CD2 4Å; L27-F42 HydrophobicContact CD1-CE2 3.68Å; S38-F42 WeakPolarHBondContact O-CB 3.5Å; S38-F42 PolarHBondContact O-N 2.83Å; K39-F42 WeakPolarHBondContact O-CB 3.49Å; K39-F42 PolarHBondContact O-N 3.22Å; T40-F42 VanDerWaalsContact C-N 3.31Å; T40-F42 PolarHBondContact O-N 2.92Å; F42-N44 PolarHBondContact O-N 2.9Å; F42-A45 WeakPolarHBondContact O-CB 3.39Å; F42-A45 PolarHBondContact O-N 3.35Å; F42-A45 VanDerWaalsContact O-N 3.1Å; F42-V46 HydrophobicContact CD2-CG2 4.45Å; F42-V46 HydrophobicContact CE1-CG2 4.2Å; F42-V46 HydrophobicContact CE2-CG2 3.98Å; F42-V46 HydrophobicContact CZ-CG2 3.85Å; F42-V46 WeakPolarHBondContact O-CG2 3.4Å; F42-V46 PolarHBondContact O-N 3.12Å; F42-F76 HydrophobicContact CD2-CE1 4.16Å; F42-F76 HydrophobicContact CE1-CD1 4.45Å; F42-F76 HydrophobicContact CE1-CE1 4.49Å; F42-F76 HydrophobicContact CE2-CD1 4.19Å; F42-F76 AromaticContact CE2-CE1 3.81Å; F42-F76 HydrophobicContact CE2-CE1 3.81Å; F42-F76 AromaticContact CZ-CD1 3.94Å; F42-F76 HydrophobicContact CZ-CD1 3.94Å; F42-F76 AromaticContact CZ-CE1 3.98Å; F42-F76 HydrophobicContact CZ-CE1 3.98Å; F42-F79 HydrophobicContact CD1-CE2 4.47Å; F42-F79 HydrophobicContact CE1-CB 4.19Å; F42-F79 HydrophobicContact CE1-CD1 4.16Å; F42-F79 AromaticContact CE1-CD2 3.98Å; F42-F79 HydrophobicContact CE1-CD2 3.98Å; F42-F79 HydrophobicContact CE1-CE2 4.37Å; F42-F79 AromaticContact CE1-CG 3.86Å; F42-F79 HydrophobicContact CE1-CG 3.86Å; F42-F81 HydrophobicContact CE1-CE2 4.34Å; F42-F81 HydrophobicContact CE2-CE2 4.5Å; F42-F81 HydrophobicContact CE2-CZ 4.37Å; F42-F81 HydrophobicContact CZ-CD2 4.39Å; F42-F81 AromaticContact CZ-CE2 3.56Å; F42-F81 HydrophobicContact CZ-CE2 3.56Å; F42-F81 AromaticContact CZ-CZ 3.83Å; F42-F81 HydrophobicContact CZ-CZ 3.83Å
43I86.3Confident80.4Confident58 Ų5857.7 Ų57.730%0.29731%0.311SS..Hα-helixtrans-60.3-49.5177.7-67166.7000110K39 T40 A45 V46 E47 F79K39-I43 HydrophobicContact CG-CD1 4.09Å; K39-I43 WeakPolarHBondContact O-CG1 3.46Å; K39-I43 PolarHBondContact O-N 2.9Å; T40-I43 PolarHBondContact O-N 3.49Å; I43-A45 PolarHBondContact O-N 3.13Å; I43-V46 PolarHBondContact O-N 3.41Å; I43-V46 VanDerWaalsContact O-N 3.08Å; I43-E47 HydrophobicContact CG2-CG 4.38Å; I43-E47 WeakPolarHBondContact O-CG 3.4Å; I43-E47 PolarHBondContact O-N 3.27Å; I43-F79 HydrophobicContact CD1-CE1 4.4Å; I43-F79 HydrophobicContact CG1-CE1 4.33Å
44N85.2Confident81.5Confident84 Ų8459.2 Ų59.245%0.44933%0.328SS..Hα-helixtrans-60-31.7176.8-65.37.8000112.2T40 F42 F48T40-N44 VanDerWaalsContact O-CG 3.28Å; T40-N44 PolarHBondContact O-N 3.11Å; T40-N44 VanDerWaalsContact O-N 3.07Å; T40-N44 PolarHBondContact O-OD1 2.71Å; F42-N44 PolarHBondContact O-N 2.9Å; N44-F48 WeakPolarHBondContact O-CB 3.3Å; N44-F48 PolarHBondContact O-N 2.95Å
45A85.8Confident82.9Confident3 Ų354.4 Ų54.43%0.02530%0.304CS..Hα-helixtrans-65.1-45.5175.700000112.3L5 L27 C41 F42 I43 A49L5-A45 HydrophobicContact CD1-CB 3.04Å; L27-A45 HydrophobicContact CD1-CB 4.12Å; L27-A45 HydrophobicContact CD2-CB 3.71Å; C41-A45 WeakPolarHBondContact O-CB 3.45Å; C41-A45 PolarHBondContact O-N 2.94Å; F42-A45 WeakPolarHBondContact O-CB 3.39Å; F42-A45 PolarHBondContact O-N 3.35Å; F42-A45 VanDerWaalsContact O-N 3.1Å; I43-A45 PolarHBondContact O-N 3.13Å; A45-A49 WeakPolarHBondContact O-CB 3.45Å; A45-A49 PolarHBondContact O-N 2.64Å
46V88.9Confident84.2Confident15 Ų1557.8 Ų57.89%0.09132%0.323CS..Hα-helixtrans-65.9-49.2179.6172.30000109.6L27 F42 I43 F48 A49 Q50 L58L27-V46 HydrophobicContact CD1-CG2 3.73Å; F42-V46 HydrophobicContact CD2-CG2 4.45Å; F42-V46 HydrophobicContact CE1-CG2 4.2Å; F42-V46 HydrophobicContact CE2-CG2 3.98Å; F42-V46 HydrophobicContact CZ-CG2 3.85Å; F42-V46 WeakPolarHBondContact O-CG2 3.4Å; F42-V46 PolarHBondContact O-N 3.12Å; I43-V46 PolarHBondContact O-N 3.41Å; I43-V46 VanDerWaalsContact O-N 3.08Å; V46-F48 PolarHBondContact O-N 3.24Å; V46-A49 PolarHBondContact O-N 3.43Å; V46-A49 VanDerWaalsContact O-N 3.16Å; V46-Q50 VanDerWaalsContact CG1-OE1 3.28Å; V46-Q50 WeakPolarHBondContact O-CG 3.44Å; V46-Q50 PolarHBondContact O-N 2.86Å; V46-L58 HydrophobicContact CG1-CD1 4.28Å; V46-L58 HydrophobicContact CG1-CD2 4.24Å
47E89.1Confident85.5Confident98 Ų9854.7 Ų54.746%0.45830%0.3SS..Hα-helixtrans-57.9-47.8176.4-70.6174.5173.800111.5I43 A49 Q50 D51I43-E47 HydrophobicContact CG2-CG 4.38Å; I43-E47 WeakPolarHBondContact O-CG 3.4Å; I43-E47 PolarHBondContact O-N 3.27Å; E47-A49 VanDerWaalsContact C-N 3.31Å; E47-A49 PolarHBondContact O-N 3.1Å; E47-Q50 PolarHBondContact O-N 2.83Å; E47-D51 WeakPolarHBondContact O-CB 3.43Å; E47-D51 PolarHBondContact O-N 3Å
48F87.3Confident86.7Confident81 Ų8151.8 Ų51.836%0.35528%0.284SS..Iπ-helixtrans-60.4-41.8177.1-178.9-98.9000112.1I3 N44 V46 C52 L53I3-F48 HydrophobicContact CD1-CE1 4.1Å; I3-F48 HydrophobicContact CG2-CE1 4.37Å; N44-F48 WeakPolarHBondContact O-CB 3.3Å; N44-F48 PolarHBondContact O-N 2.95Å; V46-F48 PolarHBondContact O-N 3.24Å; F48-C52 HydrophobicContact CD2-CB 3.69Å; F48-C52 HydrophobicContact CE2-CB 3.71Å; F48-C52 HydrophobicContact CG-CB 4.29Å; F48-C52 HydrophobicContact CZ-CB 4.32Å; F48-C52 WeakPolarHBondContact O-CA 3.37Å; F48-C52 VanDerWaalsContact O-CB 3.22Å; F48-C52 WeakPolarHBondContact O-CB 3.29Å; F48-C52 PolarHBondContact O-N 2.88Å; F48-C52 VanDerWaalsContact O-N 3.09Å; F48-L53 HydrophobicContact CD1-CD1 4.12Å; F48-L53 HydrophobicContact CD1-CG 4.25Å; F48-L53 HydrophobicContact CE1-CD1 3.83Å; F48-L53 HydrophobicContact CE1-CD2 4.06Å; F48-L53 HydrophobicContact CE1-CG 3.89Å; F48-L53 HydrophobicContact CZ-CD2 4.28Å; F48-L53 HydrophobicContact CZ-CG 4.47Å; F48-L53 PolarHBondContact O-N 2.97Å
49A87.7Confident87.5Confident2 Ų252.3 Ų52.32%0.01729%0.287CS..Iπ-helixtrans-65.7-39.6178.300000112.7V25 A45 V46 E47 L53 G54 C55 L58V25-A49 HydrophobicContact CG1-CB 3.77Å; A45-A49 WeakPolarHBondContact O-CB 3.45Å; A45-A49 PolarHBondContact O-N 2.64Å; V46-A49 PolarHBondContact O-N 3.43Å; V46-A49 VanDerWaalsContact O-N 3.16Å; E47-A49 VanDerWaalsContact C-N 3.31Å; E47-A49 PolarHBondContact O-N 3.1Å; A49-L53 CarbonylContact O-C 3.59Å; A49-L53 WeakPolarHBondContact O-CB 3.47Å; A49-G54 PolarHBondContact O-N 3.1Å; A49-C55 HydrophobicContact CB-CB 4.35Å; A49-C55 VanDerWaalsContact O-CB 3.31Å; A49-C55 WeakPolarHBondContact O-CB 3.45Å; A49-C55 PolarHBondContact O-N 2.68Å; A49-L58 HydrophobicContact CB-CD2 3.76Å
50Q88.9Confident88.2Confident58 Ų5846.8 Ų46.827%0.27126%0.263SS..Iπ-helixtrans-76.2-56.1179.9-68.5-179.8-70.700111.5V46 E47 G54 L58V46-Q50 VanDerWaalsContact CG1-OE1 3.28Å; V46-Q50 WeakPolarHBondContact O-CG 3.44Å; V46-Q50 PolarHBondContact O-N 2.86Å; E47-Q50 PolarHBondContact O-N 2.83Å; Q50-G54 WeakPolarHBondContact O-CA 3.35Å; Q50-G54 PolarHBondContact O-N 2.92Å; Q50-L58 HydrophobicContact CG-CD1 3.66Å; Q50-L58 HydrophobicContact CG-CD2 4.42Å; Q50-L58 HydrophobicContact CG-CG 4.49Å
51D89.2Confident88.7Confident132 Ų13243.8 Ų43.871%0.70624%0.243SC*.Iπ-helixtrans-79.9-40.4-168.1-64.5-16.2000112.2E47E47-D51 WeakPolarHBondContact O-CB 3.43Å; E47-D51 PolarHBondContact O-N 3Å
52C86.8Confident89.2Confident88 Ų8843.7 Ų43.760%0.59524%0.242SC*.Iπ-helixtrans-91.8-36.2-175.5-59.60000112.2F48F48-C52 HydrophobicContact CD2-CB 3.69Å; F48-C52 HydrophobicContact CE2-CB 3.71Å; F48-C52 HydrophobicContact CG-CB 4.29Å; F48-C52 HydrophobicContact CZ-CB 4.32Å; F48-C52 WeakPolarHBondContact O-CA 3.37Å; F48-C52 VanDerWaalsContact O-CB 3.22Å; F48-C52 WeakPolarHBondContact O-CB 3.29Å; F48-C52 PolarHBondContact O-N 2.88Å; F48-C52 VanDerWaalsContact O-N 3.09Å
53L86.8Confident89.4Confident59 Ų5944.8 Ų44.831%0.30925%0.251SS..THydrogen-bonded Turntrans-99.1-15.1-178.6-54.3178.5000113.9I3 V19 F48 A49 C55I3-L53 HydrophobicContact CD1-CD1 3.48Å; I3-L53 VanDerWaalsContact CD1-CD1 3.48Å; V19-L53 HydrophobicContact CG2-CD1 4.17Å; F48-L53 HydrophobicContact CD1-CD1 4.12Å; F48-L53 HydrophobicContact CD1-CG 4.25Å; F48-L53 HydrophobicContact CE1-CD1 3.83Å; F48-L53 HydrophobicContact CE1-CD2 4.06Å; F48-L53 HydrophobicContact CE1-CG 3.89Å; F48-L53 HydrophobicContact CZ-CD2 4.28Å; F48-L53 HydrophobicContact CZ-CG 4.47Å; F48-L53 PolarHBondContact O-N 2.97Å; A49-L53 CarbonylContact O-C 3.59Å; A49-L53 WeakPolarHBondContact O-CB 3.47Å; L53-C55 VanDerWaalsContact C-N 3.28Å; L53-C55 PolarHBondContact O-N 2.92Å
54G87.7Confident89.6Confident44 Ų4448.1 Ų48.145%0.45426%0.263SS..  trans69.823.8-176.500000113.6A49 Q50 T56A49-G54 PolarHBondContact O-N 3.1Å; Q50-G54 WeakPolarHBondContact O-CA 3.35Å; Q50-G54 PolarHBondContact O-N 2.92Å; G54-T56 PolarHBondContact O-N 2.96Å
55C89.9Confident89.9Confident3 Ų349.2 Ų49.22%0.0228%0.277CS..  trans-74120.9177.1-65.80000110.1M23 V25 A49 L53M23-C55 CarbonylContact O-C 3.51Å; M23-C55 WeakPolarHBondContact O-CA 3.49Å; V25-C55 HydrophobicContact CB-CB 4.47Å; V25-C55 HydrophobicContact CG1-CB 4.12Å; A49-C55 HydrophobicContact CB-CB 4.35Å; A49-C55 VanDerWaalsContact O-CB 3.31Å; A49-C55 WeakPolarHBondContact O-CB 3.45Å; A49-C55 PolarHBondContact O-N 2.68Å; L53-C55 VanDerWaalsContact C-N 3.28Å; L53-C55 PolarHBondContact O-N 2.92Å
56T90Very high90.1Very high97 Ų9750.7 Ų50.760%0.59528%0.282SS*.  trans-97.1-20.5178.654.90000112.8M23 G54M23-T56 PolarHBondContact O-N 3.1Å; G54-T56 PolarHBondContact O-N 2.96Å
57E92.1Very high90.1Very high54 Ų5456.3 Ų56.325%0.25232%0.319SS..EExtended strand (participates in β ladder)trans-113.796.8-178.8-73.3-179.590.500109.5M23 R24 V25 Y59M23-E57 PolarHBondContact O-N 3.19Å; R24-E57 WeakPolarHBondContact CA-O 3.14Å; R24-E57 HydrophobicContact CB-CB 4.5Å; R24-E57 HydrophobicContact CG-CB 3.58Å; R24-E57 HydrophobicContact CG-CG 4.34Å; R24-E57 IonicContact CZ-OE1 3.6Å; R24-E57 IonicContact CZ-OE2 3.65Å; R24-E57 VanDerWaalsContact CZ-OE2 3.27Å; R24-E57 VanDerWaalsContact NE-CD 3.28Å; R24-E57 IonicContact NE-OE1 2.71Å; R24-E57 PolarHBondContact NE-OE1 3.36Å; R24-E57 IonicContact NE-OE2 3.47Å; R24-E57 PolarHBondContact NE-OE2 3.35Å; R24-E57 IonicContact NH2-OE1 2.71Å; R24-E57 PolarHBondContact NH2-OE1 2.86Å; R24-E57 IonicContact NH2-OE2 3.2Å; R24-E57 PolarHBondContact NH2-OE2 3.2Å; V25-E57 PolarHBondContact N-O 2.81Å; V25-E57 VanDerWaalsContact N-O 3.11Å; E57-Y59 HydrophobicContact CB-CE2 3.96Å; E57-Y59 PolarHBondContact OE1-OH 2.83Å
58L93.3Very high90.2Very high1 Ų153.1 Ų53.11%0.00531%0.305CS..EExtended strand (participates in β ladder)trans-97.4139.2178-61.4128.2000111.1V25 V46 A49 Q50 Y102V25-L58 HydrophobicContact CG1-CB 4.47Å; V25-L58 HydrophobicContact CG1-CD2 3.56Å; V25-L58 HydrophobicContact CG1-CG 4.11Å; V46-L58 HydrophobicContact CG1-CD1 4.28Å; V46-L58 HydrophobicContact CG1-CD2 4.24Å; A49-L58 HydrophobicContact CB-CD2 3.76Å; Q50-L58 HydrophobicContact CG-CD1 3.66Å; Q50-L58 HydrophobicContact CG-CD2 4.42Å; Q50-L58 HydrophobicContact CG-CG 4.49Å; L58-Y102 HydrophobicContact CD1-CD1 3.85Å; L58-Y102 HydrophobicContact CD1-CG 4.14Å; L58-Y102 PolarHBondContact O-N 3.1Å
59Y94.1Very high90.4Very high12 Ų1250.4 Ų50.45%0.04730%0.296CS..EExtended strand (participates in β ladder)trans-130.2155174.7-59.1-91.3000110.4R24 V25 V26 L27 E57 P90 F91 V99 M100 T101R24-Y59 HydrophobicContact CG-CE2 4.38Å; V25-Y59 PolarHBondContact O-N 2.94Å; V26-Y59 CarbonylContact C-O 3.52Å; V26-Y59 WeakPolarHBondContact CA-O 3.47Å; V26-Y59 HydrophobicContact CG2-CD2 4.43Å; V26-Y59 HydrophobicContact CG2-CG 4.45Å; L27-Y59 PolarHBondContact N-O 3.3Å; E57-Y59 HydrophobicContact CB-CE2 3.96Å; E57-Y59 PolarHBondContact OE1-OH 2.83Å; Y59-P90 HydrophobicContact CD2-CG 4.48Å; Y59-P90 HydrophobicContact CE1-CG 4.49Å; Y59-P90 HydrophobicContact CE2-CG 3.66Å; Y59-P90 VanDerWaalsContact CZ-CD 3.46Å; Y59-P90 WeakPolarHBondContact OH-CD 3.14Å; Y59-F91 HydrophobicContact CD1-CE1 4.2Å; Y59-F91 HydrophobicContact CD1-CZ 4.25Å; Y59-F91 AromaticContact CD2-CE1 3.89Å; Y59-F91 HydrophobicContact CD2-CE1 3.89Å; Y59-F91 HydrophobicContact CE2-CE1 4.35Å; Y59-F91 AromaticContact CG-CE1 3.81Å; Y59-F91 HydrophobicContact CG-CE1 3.81Å; Y59-F91 HydrophobicContact CG-CZ 4.03Å; Y59-V99 HydrophobicContact CD1-CG1 4Å; Y59-M100 CarbonylContact C-O 3.41Å; Y59-M100 WeakPolarHBondContact CA-O 3.28Å; Y59-T101 WeakPolarHBondContact CE1-OG1 3.27Å
60V93Very high90.6Very high0 Ų054.5 Ų54.50%032%0.324CS..EExtended strand (participates in β ladder)trans-123.4140.6163.882.20000109.1W15 L27 A29 F62 F76 F81 V99 M100W15-V60 HydrophobicContact CZ3-CG2 4.11Å; L27-V60 HydrophobicContact CB-CG2 4.15Å; L27-V60 CarbonylContact O-C 3.52Å; L27-V60 WeakPolarHBondContact O-CA 3.18Å; L27-V60 WeakPolarHBondContact O-CG2 3.21Å; A29-V60 HydrophobicContact CB-CG2 4.29Å; V60-F62 HydrophobicContact CG1-CE1 4.3Å; V60-F76 HydrophobicContact CG1-CB 4.34Å; V60-F76 HydrophobicContact CG1-CD1 4.19Å; V60-F76 HydrophobicContact CG1-CD2 3.73Å; V60-F76 HydrophobicContact CG1-CE1 4.47Å; V60-F76 HydrophobicContact CG1-CE2 4.02Å; V60-F76 HydrophobicContact CG1-CG 3.84Å; V60-F76 HydrophobicContact CG1-CZ 4.4Å; V60-F76 HydrophobicContact CG2-CD1 4.44Å; V60-F76 HydrophobicContact CG2-CE1 3.95Å; V60-F76 HydrophobicContact CG2-CE2 4.03Å; V60-F76 HydrophobicContact CG2-CZ 3.74Å; V60-F81 HydrophobicContact CB-CD1 4.31Å; V60-F81 HydrophobicContact CB-CE1 4.16Å; V60-F81 HydrophobicContact CG1-CD1 4.08Å; V60-F81 HydrophobicContact CG1-CE1 4.43Å; V60-V99 WeakPolarHBondContact O-CA 3.37Å; V60-M100 HydrophobicContact CG1-CB 3.96Å; V60-M100 HydrophobicContact CG1-CG 4.31Å; V60-M100 HydrophobicContact CG1-SD 4.46Å; V60-M100 PolarHBondContact N-O 2.83Å; V60-M100 PolarHBondContact O-N 3.01Å
61D93Very high90.8Very high16 Ų1654.3 Ų54.39%0.08633%0.328CS..EExtended strand (participates in β ladder)trans-128.2155.7173.675.82.5000112.9V26 L27 H28 A29 V98 V99V26-D61 HydrophobicContact CG1-CB 4.15Å; L27-D61 PolarHBondContact O-N 3.28Å; H28-D61 VanDerWaalsContact CA-OD1 3.29Å; H28-D61 WeakPolarHBondContact CA-OD1 3.35Å; H28-D61 IonicContact CE1-OD1 2.94Å; H28-D61 IonicContact CE1-OD2 3.27Å; H28-D61 PolarHBondContact CE1-OD2 3.07Å; H28-D61 IonicContact CG-OD1 3.71Å; H28-D61 IonicContact ND1-OD1 3.43Å; H28-D61 PolarHBondContact ND1-OD1 3.47Å; H28-D61 IonicContact ND1-OD2 3.35Å; H28-D61 PolarHBondContact ND1-OD2 3.23Å; H28-D61 VanDerWaalsContact ND1-OD2 3.1Å; A29-D61 PolarHBondContact N-O 3.5Å; D61-V98 VanDerWaalsContact CA-O 3.24Å; D61-V98 WeakPolarHBondContact CA-O 2.98Å; D61-V98 WeakPolarHBondContact CB-O 3.21Å; D61-V99 HydrophobicContact CB-CG2 4.16Å
62F92.3Very high90.9Very high5 Ų548.1 Ų48.12%0.02229%0.294CS..EExtended strand (participates in β ladder)trans-163.4157.5173.646.5-86.9000110.8A29 V60 K64 L72 I73 F76 F97 V98 M100A29-F62 HydrophobicContact CB-CB 4.07Å; A29-F62 HydrophobicContact CB-CD1 4.19Å; V60-F62 HydrophobicContact CG1-CE1 4.3Å; F62-K64 PolarHBondContact O-N 3.18Å; F62-L72 HydrophobicContact CB-CD1 4.26Å; F62-L72 HydrophobicContact CD1-CB 4.48Å; F62-L72 HydrophobicContact CD1-CD1 4.32Å; F62-L72 HydrophobicContact CD2-CB 4.34Å; F62-L72 HydrophobicContact CD2-CD1 3.73Å; F62-L72 HydrophobicContact CE1-CB 4.06Å; F62-L72 HydrophobicContact CE2-CB 3.89Å; F62-L72 HydrophobicContact CE2-CD1 4.11Å; F62-L72 HydrophobicContact CG-CD1 3.85Å; F62-L72 HydrophobicContact CZ-CB 3.74Å; F62-I73 HydrophobicContact CE2-CG1 4.09Å; F62-I73 HydrophobicContact CZ-CG1 3.7Å; F62-F76 HydrophobicContact CD1-CD2 4.47Å; F62-F76 HydrophobicContact CD1-CE2 4.06Å; F62-F76 AromaticContact CE1-CD2 3.8Å; F62-F76 HydrophobicContact CE1-CD2 3.8Å; F62-F76 AromaticContact CE1-CE2 3.83Å; F62-F76 HydrophobicContact CE1-CE2 3.83Å; F62-F97 CarbonylContact O-C 3.46Å; F62-F97 WeakPolarHBondContact O-CA 3.33Å; F62-V98 HydrophobicContact CD2-CB 3.97Å; F62-V98 HydrophobicContact CD2-CG2 4.23Å; F62-V98 HydrophobicContact CE1-CB 4.39Å; F62-V98 HydrophobicContact CE1-CG1 4.24Å; F62-V98 HydrophobicContact CE2-CB 3.61Å; F62-V98 HydrophobicContact CE2-CG1 3.89Å; F62-V98 HydrophobicContact CE2-CG2 3.8Å; F62-V98 HydrophobicContact CZ-CB 3.84Å; F62-V98 HydrophobicContact CZ-CG1 3.64Å; F62-V98 HydrophobicContact CZ-CG2 4.41Å; F62-V98 PolarHBondContact N-O 3.03Å; F62-V98 VanDerWaalsContact N-O 3.13Å; F62-V98 PolarHBondContact O-N 2.81Å; F62-M100 HydrophobicContact CE1-SD 4.12Å; F62-M100 HydrophobicContact CZ-SD 4.17Å
63S90.9Very high91.2Very high31 Ų3146 Ų4622%0.21728%0.277CS..EExtended strand (participates in β ladder)trans-63.8134.2176.9176.60000111.8S65 R66S63-S65 PolarHBondContact O-N 3.17Å; S63-S65 PolarHBondContact OG-N 3.38Å; S63-S65 VanDerWaalsContact OG-N 3.12Å; S63-S65 PolarHBondContact OG-OG 3.49Å; S63-R66 WeakPolarHBondContact O-CB 3.43Å; S63-R66 PolarHBondContact O-N 3.08Å
64K90.5Very high91.5Very high127 Ų12751 Ų5155%0.55229%0.291SS*.THydrogen-bonded Turntrans-60.5-27.2170.5-75.8174.4175171.50112.5F62 R66 G96 F97 V98F62-K64 PolarHBondContact O-N 3.18Å; K64-R66 PolarHBondContact O-N 2.94Å; K64-G96 WeakPolarHBondContact CB-O 3.42Å; K64-G96 PolarHBondContact N-O 3.22Å; K64-F97 WeakPolarHBondContact CE-O 3.34Å; K64-V98 HydrophobicContact CB-CG2 4.36Å; K64-V98 HydrophobicContact CG-CG2 3.41Å; K64-V98 VanDerWaalsContact CG-CG2 3.41Å
65S90.9Very high91.6Very high107 Ų10751 Ų5175%0.74828%0.283SS*.THydrogen-bonded Turntrans-79.6-1.4-178.365.40000114S63S63-S65 PolarHBondContact O-N 3.17Å; S63-S65 PolarHBondContact OG-N 3.38Å; S63-S65 VanDerWaalsContact OG-N 3.12Å; S63-S65 PolarHBondContact OG-OG 3.49Å
66R89.9Confident91.8Very high34 Ų3451.1 Ų51.113%0.12828%0.283CS..  trans-67.2135.7178.8-79.4-178.367.4155.50.6111.7A29 P30 P31 S63 K64 D68 C69 L72A29-R66 PolarHBondContact O-NH1 3.37Å; P30-R66 VanDerWaalsContact C-NH1 3.32Å; P30-R66 PolarHBondContact O-NH1 3.43Å; P30-R66 PolarHBondContact O-NH2 3.32Å; P31-R66 PolarHBondContact O-NH2 3.02Å; S63-R66 WeakPolarHBondContact O-CB 3.43Å; S63-R66 PolarHBondContact O-N 3.08Å; K64-R66 PolarHBondContact O-N 2.94Å; R66-D68 WeakPolarHBondContact CB-OD1 3.44Å; R66-D68 IonicContact CZ-OD1 3.1Å; R66-D68 IonicContact CZ-OD2 3.76Å; R66-D68 IonicContact NE-OD1 2.83Å; R66-D68 PolarHBondContact NE-OD1 2.77Å; R66-D68 IonicContact NE-OD2 3.27Å; R66-D68 IonicContact NH2-OD1 2.68Å; R66-D68 PolarHBondContact NH2-OD1 3.21Å; R66-D68 IonicContact NH2-OD2 3.45Å; R66-D68 PolarHBondContact NH2-OD2 3.26Å; R66-D68 PolarHBondContact O-N 3.06Å; R66-C69 HydrophobicContact CB-CB 4.45Å; R66-C69 WeakPolarHBondContact O-CB 3.27Å; R66-C69 PolarHBondContact O-N 3.37Å; R66-C69 VanDerWaalsContact O-N 3.12Å; R66-L72 VanDerWaalsContact CZ-CD1 3.48Å
67P89.6Confident91.9Very high134 Ų13449.3 Ų49.387%0.8727%0.274SS*.THydrogen-bonded Turntrans-63.9-24.7177.725.8-33.3000112.8
68D90.4Very high91.8Very high31 Ų3154.8 Ų54.817%0.16629%0.294CS..THydrogen-bonded Turntrans-96.614.6178.164.6-31.5000113.9R66 S70 T71 L72R66-D68 WeakPolarHBondContact CB-OD1 3.44Å; R66-D68 IonicContact CZ-OD1 3.1Å; R66-D68 IonicContact CZ-OD2 3.76Å; R66-D68 IonicContact NE-OD1 2.83Å; R66-D68 PolarHBondContact NE-OD1 2.77Å; R66-D68 IonicContact NE-OD2 3.27Å; R66-D68 IonicContact NH2-OD1 2.68Å; R66-D68 PolarHBondContact NH2-OD1 3.21Å; R66-D68 IonicContact NH2-OD2 3.45Å; R66-D68 PolarHBondContact NH2-OD2 3.26Å; R66-D68 PolarHBondContact O-N 3.06Å; D68-S70 PolarHBondContact O-N 3.49Å; D68-T71 WeakPolarHBondContact O-CB 3.34Å; D68-T71 PolarHBondContact O-N 3.03Å; D68-T71 VanDerWaalsContact O-N 3.1Å; D68-L72 WeakPolarHBondContact O-CG 3.38Å; D68-L72 PolarHBondContact O-N 3.13Å
69C91.7Very high91.7Very high23 Ų2357.2 Ų57.216%0.15531%0.305CS..Hα-helixtrans-53.2-48.2-177.2178.90000113.4R66 T71 L72 I73R66-C69 HydrophobicContact CB-CB 4.45Å; R66-C69 WeakPolarHBondContact O-CB 3.27Å; R66-C69 PolarHBondContact O-N 3.37Å; R66-C69 VanDerWaalsContact O-N 3.12Å; C69-T71 VanDerWaalsContact C-N 3.3Å; C69-T71 PolarHBondContact O-N 3.3Å; C69-L72 PolarHBondContact O-N 2.71Å; C69-I73 WeakPolarHBondContact O-CG1 3.27Å; C69-I73 PolarHBondContact O-N 2.99Å
70S92.5Very high91.6Very high88 Ų8858.9 Ų58.962%0.61532%0.318SS*.Hα-helixtrans-62.4-38.7178.856.20000112.1D68 R74D68-S70 PolarHBondContact O-N 3.49Å; S70-R74 PolarHBondContact O-N 2.76Å
71T91.4Very high91.7Very high55 Ų5559 Ų5934%0.33732%0.319SS..Hα-helixtrans-67.4-43.3177.9-46.80000111.3M34 D68 C69 R74 T75M34-T71 HydrophobicContact CE-CG2 3.19Å; M34-T71 HydrophobicContact SD-CG2 3.35Å; M34-T71 WeakPolarHBondContact SD-CG2 3.35Å; D68-T71 WeakPolarHBondContact O-CB 3.34Å; D68-T71 PolarHBondContact O-N 3.03Å; D68-T71 VanDerWaalsContact O-N 3.1Å; C69-T71 VanDerWaalsContact C-N 3.3Å; C69-T71 PolarHBondContact O-N 3.3Å; T71-R74 PolarHBondContact O-N 2.86Å; T71-T75 WeakPolarHBondContact O-CB 3.47Å; T71-T75 PolarHBondContact O-N 3.32Å; T71-T75 PolarHBondContact O-OG1 2.82Å
72L91.8Very high91.8Very high1 Ų164.2 Ų64.21%0.00534%0.337CS..Hα-helixtrans-60.2-47.6175.1-68171.3000111.9A33 M34 F62 R66 D68 C69 R74 T75 F76A33-L72 HydrophobicContact CB-CD2 3.77Å; M34-L72 HydrophobicContact CG-CD2 4.35Å; F62-L72 HydrophobicContact CB-CD1 4.26Å; F62-L72 HydrophobicContact CD1-CB 4.48Å; F62-L72 HydrophobicContact CD1-CD1 4.32Å; F62-L72 HydrophobicContact CD2-CB 4.34Å; F62-L72 HydrophobicContact CD2-CD1 3.73Å; F62-L72 HydrophobicContact CE1-CB 4.06Å; F62-L72 HydrophobicContact CE2-CB 3.89Å; F62-L72 HydrophobicContact CE2-CD1 4.11Å; F62-L72 HydrophobicContact CG-CD1 3.85Å; F62-L72 HydrophobicContact CZ-CB 3.74Å; R66-L72 VanDerWaalsContact CZ-CD1 3.48Å; D68-L72 WeakPolarHBondContact O-CG 3.38Å; D68-L72 PolarHBondContact O-N 3.13Å; C69-L72 PolarHBondContact O-N 2.71Å; L72-R74 PolarHBondContact O-N 3Å; L72-T75 PolarHBondContact O-N 3.07Å; L72-T75 VanDerWaalsContact O-N 3.17Å; L72-F76 HydrophobicContact CB-CD2 4.25Å; L72-F76 HydrophobicContact CB-CE2 4.04Å; L72-F76 HydrophobicContact CD2-CE2 4.02Å; L72-F76 HydrophobicContact CD2-CZ 4.48Å; L72-F76 WeakPolarHBondContact O-CD2 3.27Å; L72-F76 PolarHBondContact O-N 3.27Å
73I93.6Very high91.9Very high44 Ų4468.9 Ų68.923%0.22636%0.362CS..Hα-helixtrans-55.1-46.6176.5-67.4169.8000109.8F62 C69 S77 L83 V98 M100F62-I73 HydrophobicContact CE2-CG1 4.09Å; F62-I73 HydrophobicContact CZ-CG1 3.7Å; C69-I73 WeakPolarHBondContact O-CG1 3.27Å; C69-I73 PolarHBondContact O-N 2.99Å; I73-S77 WeakPolarHBondContact O-CB 3.43Å; I73-S77 PolarHBondContact O-N 3.46Å; I73-S77 PolarHBondContact O-OG 3.26Å; I73-L83 HydrophobicContact CD1-CD2 4.3Å; I73-L83 HydrophobicContact CG1-CD2 4.41Å; I73-L83 HydrophobicContact CG2-CG 4.49Å; I73-V98 HydrophobicContact CD1-CG1 4.43Å; I73-V98 HydrophobicContact CG1-CG1 4.31Å; I73-M100 HydrophobicContact CB-SD 4.42Å; I73-M100 HydrophobicContact CG1-SD 4.3Å; I73-M100 HydrophobicContact CG2-CE 4.22Å; I73-M100 HydrophobicContact CG2-SD 4.47Å
74R92.3Very high92Very high163 Ų16368.7 Ų68.762%0.61536%0.359SS*.Hα-helixtrans-64.5-44.7179.4-165-176.3-177.8103.40.7111.6S70 T71 L72 S77 Y78S70-R74 PolarHBondContact O-N 2.76Å; T71-R74 PolarHBondContact O-N 2.86Å; L72-R74 PolarHBondContact O-N 3Å; R74-S77 WeakPolarHBondContact O-CB 3.41Å; R74-S77 PolarHBondContact O-N 3.13Å; R74-Y78 HydrophobicContact CG-CD2 4.5Å; R74-Y78 HydrophobicContact CG-CE2 3.88Å; R74-Y78 WeakPolarHBondContact O-CD2 3.33Å; R74-Y78 PolarHBondContact O-N 2.89Å
75T91.2Very high91.7Very high46 Ų4666.3 Ų66.328%0.28236%0.358SS..Hα-helixtrans-61-51.1179.1-64.40000111.6T71 L72 S77 Y78 F79T71-T75 WeakPolarHBondContact O-CB 3.47Å; T71-T75 PolarHBondContact O-N 3.32Å; T71-T75 PolarHBondContact O-OG1 2.82Å; L72-T75 PolarHBondContact O-N 3.07Å; L72-T75 VanDerWaalsContact O-N 3.17Å; T75-S77 VanDerWaalsContact C-N 3.27Å; T75-S77 PolarHBondContact O-N 2.87Å; T75-Y78 WeakPolarHBondContact O-CB 3.36Å; T75-Y78 PolarHBondContact O-N 3.17Å; T75-Y78 VanDerWaalsContact O-N 3.08Å; T75-F79 HydrophobicContact CG2-CD2 4.41Å; T75-F79 HydrophobicContact CG2-CE2 3.99Å; T75-F79 VanDerWaalsContact O-CD2 3.27Å; T75-F79 WeakPolarHBondContact O-CD2 3.35Å
76F92.2Very high91.2Very high5 Ų567.8 Ų67.82%0.02237%0.365CS..Hα-helixtrans-67.7-29.5179.4-64.8-58.8000112.2W15 A29 F42 V60 F62 L72 Y78 F79 S80 F81 M100W15-F76 AromaticContact CH2-CE1 3.94Å; W15-F76 HydrophobicContact CH2-CE1 3.94Å; W15-F76 AromaticContact CH2-CZ 3.79Å; W15-F76 HydrophobicContact CH2-CZ 3.79Å; A29-F76 HydrophobicContact CB-CE2 4.13Å; A29-F76 HydrophobicContact CB-CZ 3.98Å; F42-F76 HydrophobicContact CD2-CE1 4.16Å; F42-F76 HydrophobicContact CE1-CD1 4.45Å; F42-F76 HydrophobicContact CE1-CE1 4.49Å; F42-F76 HydrophobicContact CE2-CD1 4.19Å; F42-F76 AromaticContact CE2-CE1 3.81Å; F42-F76 HydrophobicContact CE2-CE1 3.81Å; F42-F76 AromaticContact CZ-CD1 3.94Å; F42-F76 HydrophobicContact CZ-CD1 3.94Å; F42-F76 AromaticContact CZ-CE1 3.98Å; F42-F76 HydrophobicContact CZ-CE1 3.98Å; V60-F76 HydrophobicContact CG1-CB 4.34Å; V60-F76 HydrophobicContact CG1-CD1 4.19Å; V60-F76 HydrophobicContact CG1-CD2 3.73Å; V60-F76 HydrophobicContact CG1-CE1 4.47Å; V60-F76 HydrophobicContact CG1-CE2 4.02Å; V60-F76 HydrophobicContact CG1-CG 3.84Å; V60-F76 HydrophobicContact CG1-CZ 4.4Å; V60-F76 HydrophobicContact CG2-CD1 4.44Å; V60-F76 HydrophobicContact CG2-CE1 3.95Å; V60-F76 HydrophobicContact CG2-CE2 4.03Å; V60-F76 HydrophobicContact CG2-CZ 3.74Å; F62-F76 HydrophobicContact CD1-CD2 4.47Å; F62-F76 HydrophobicContact CD1-CE2 4.06Å; F62-F76 AromaticContact CE1-CD2 3.8Å; F62-F76 HydrophobicContact CE1-CD2 3.8Å; F62-F76 AromaticContact CE1-CE2 3.83Å; F62-F76 HydrophobicContact CE1-CE2 3.83Å; L72-F76 HydrophobicContact CB-CD2 4.25Å; L72-F76 HydrophobicContact CB-CE2 4.04Å; L72-F76 HydrophobicContact CD2-CE2 4.02Å; L72-F76 HydrophobicContact CD2-CZ 4.48Å; L72-F76 WeakPolarHBondContact O-CD2 3.27Å; L72-F76 PolarHBondContact O-N 3.27Å; F76-Y78 PolarHBondContact O-N 3.2Å; F76-F79 CarbonylContact O-C 3.44Å; F76-F79 WeakPolarHBondContact O-CA 3.39Å; F76-F79 PolarHBondContact O-N 3.04Å; F76-S80 PolarHBondContact O-N 3.34Å; F76-F81 HydrophobicContact CB-CB 3.87Å; F76-F81 HydrophobicContact CB-CD2 4.4Å; F76-F81 HydrophobicContact CB-CG 4.2Å; F76-F81 WeakPolarHBondContact O-CB 3.43Å; F76-F81 PolarHBondContact O-N 2.93Å; F76-M100 HydrophobicContact CB-CE 3.98Å; F76-M100 HydrophobicContact CB-SD 3.79Å; F76-M100 HydrophobicContact CD2-SD 4.22Å; F76-M100 HydrophobicContact CG-SD 4.47Å
77S92.8Very high90.7Very high59 Ų5970.1 Ų70.141%0.41340%0.4SS..Hα-helixtrans-58.9-34.6170.3-58.90000113I73 R74 T75 F79 S80 F81I73-S77 WeakPolarHBondContact O-CB 3.43Å; I73-S77 PolarHBondContact O-N 3.46Å; I73-S77 PolarHBondContact O-OG 3.26Å; R74-S77 WeakPolarHBondContact O-CB 3.41Å; R74-S77 PolarHBondContact O-N 3.13Å; T75-S77 VanDerWaalsContact C-N 3.27Å; T75-S77 PolarHBondContact O-N 2.87Å; S77-F79 PolarHBondContact O-N 2.82Å; S77-S80 PolarHBondContact O-N 3.22Å; S77-F81 WeakPolarHBondContact CA-O 3.24Å
78Y91Very high90.4Very high168 Ų16871.3 Ų71.366%0.65939%0.392SS*.Hα-helixtrans-68-21.5173.1-73.2-69.6000113.4R74 T75 F76 S80R74-Y78 HydrophobicContact CG-CD2 4.5Å; R74-Y78 HydrophobicContact CG-CE2 3.88Å; R74-Y78 WeakPolarHBondContact O-CD2 3.33Å; R74-Y78 PolarHBondContact O-N 2.89Å; T75-Y78 WeakPolarHBondContact O-CB 3.36Å; T75-Y78 PolarHBondContact O-N 3.17Å; T75-Y78 VanDerWaalsContact O-N 3.08Å; F76-Y78 PolarHBondContact O-N 3.2Å; Y78-S80 VanDerWaalsContact C-N 3.3Å
79F89.9Confident90Very high53 Ų5370.6 Ų70.623%0.23239%0.39CS..THydrogen-bonded Turntrans-95.325.4173.2-64.9-77000112.2K39 F42 I43 T75 F76 S77 F81 Y102K39-F79 HydrophobicContact CD-CZ 3.89Å; K39-F79 HydrophobicContact CG-CZ 3.93Å; F42-F79 HydrophobicContact CD1-CE2 4.47Å; F42-F79 HydrophobicContact CE1-CB 4.19Å; F42-F79 HydrophobicContact CE1-CD1 4.16Å; F42-F79 AromaticContact CE1-CD2 3.98Å; F42-F79 HydrophobicContact CE1-CD2 3.98Å; F42-F79 HydrophobicContact CE1-CE2 4.37Å; F42-F79 AromaticContact CE1-CG 3.86Å; F42-F79 HydrophobicContact CE1-CG 3.86Å; I43-F79 HydrophobicContact CD1-CE1 4.4Å; I43-F79 HydrophobicContact CG1-CE1 4.33Å; T75-F79 HydrophobicContact CG2-CD2 4.41Å; T75-F79 HydrophobicContact CG2-CE2 3.99Å; T75-F79 VanDerWaalsContact O-CD2 3.27Å; T75-F79 WeakPolarHBondContact O-CD2 3.35Å; F76-F79 CarbonylContact O-C 3.44Å; F76-F79 WeakPolarHBondContact O-CA 3.39Å; F76-F79 PolarHBondContact O-N 3.04Å; S77-F79 PolarHBondContact O-N 2.82Å; F79-F81 HydrophobicContact CB-CD2 3.91Å; F79-F81 HydrophobicContact CB-CE2 4.16Å; F79-F81 VanDerWaalsContact O-CD2 3.27Å; F79-F81 WeakPolarHBondContact O-CD2 3.09Å; F79-F81 PolarHBondContact O-N 3.25Å; F79-F81 VanDerWaalsContact O-N 3.17Å; F79-Y102 WeakPolarHBondContact O-CD2 3.43Å; F79-Y102 VanDerWaalsContact O-CE2 3.3Å; F79-Y102 WeakPolarHBondContact O-CE2 3.19Å
80S93.6Very high89.4Confident47 Ų4771.9 Ų71.933%0.32940%0.398SS..THydrogen-bonded Turntrans62.519.3180-52.10000115.3F76 S77 Y78 S103F76-S80 PolarHBondContact O-N 3.34Å; S77-S80 PolarHBondContact O-N 3.22Å; Y78-S80 VanDerWaalsContact C-N 3.3Å; S80-S103 WeakPolarHBondContact CB-O 3.45Å; S80-S103 PolarHBondContact O-N 3.33Å
81F94Very high88.9Confident3 Ų368.5 Ų68.51%0.01337%0.372CS..EExtended strand (participates in β ladder)trans-81.2140.2168.4-71.4-106000110.6F42 V60 F76 S77 F79 M100 T101 Y102F42-F81 HydrophobicContact CE1-CE2 4.34Å; F42-F81 HydrophobicContact CE2-CE2 4.5Å; F42-F81 HydrophobicContact CE2-CZ 4.37Å; F42-F81 HydrophobicContact CZ-CD2 4.39Å; F42-F81 AromaticContact CZ-CE2 3.56Å; F42-F81 HydrophobicContact CZ-CE2 3.56Å; F42-F81 AromaticContact CZ-CZ 3.83Å; F42-F81 HydrophobicContact CZ-CZ 3.83Å; V60-F81 HydrophobicContact CB-CD1 4.31Å; V60-F81 HydrophobicContact CB-CE1 4.16Å; V60-F81 HydrophobicContact CG1-CD1 4.08Å; V60-F81 HydrophobicContact CG1-CE1 4.43Å; F76-F81 HydrophobicContact CB-CB 3.87Å; F76-F81 HydrophobicContact CB-CD2 4.4Å; F76-F81 HydrophobicContact CB-CG 4.2Å; F76-F81 WeakPolarHBondContact O-CB 3.43Å; F76-F81 PolarHBondContact O-N 2.93Å; S77-F81 WeakPolarHBondContact CA-O 3.24Å; F79-F81 HydrophobicContact CB-CD2 3.91Å; F79-F81 HydrophobicContact CB-CE2 4.16Å; F79-F81 VanDerWaalsContact O-CD2 3.27Å; F79-F81 WeakPolarHBondContact O-CD2 3.09Å; F79-F81 PolarHBondContact O-N 3.25Å; F79-F81 VanDerWaalsContact O-N 3.17Å; F81-M100 HydrophobicContact CB-CB 3.93Å; F81-M100 HydrophobicContact CB-CE 3.99Å; F81-M100 HydrophobicContact CD1-CB 4.3Å; F81-T101 CarbonylContact C-O 3.48Å; F81-T101 VanDerWaalsContact CA-O 3.27Å; F81-T101 WeakPolarHBondContact CA-O 3.18Å; F81-Y102 AromaticContact CD2-CD2 3.97Å; F81-Y102 HydrophobicContact CD2-CD2 3.97Å; F81-Y102 AromaticContact CE2-CD2 3.58Å; F81-Y102 HydrophobicContact CE2-CD2 3.58Å; F81-Y102 HydrophobicContact CE2-CE2 4.43Å; F81-Y102 HydrophobicContact CE2-CG 4.36Å; F81-Y102 AromaticContact CZ-CD2 3.96Å; F81-Y102 HydrophobicContact CZ-CD2 3.96Å; F81-Y102 HydrophobicContact CZ-CG 4.31Å
82R95Very high87.9Confident124 Ų12475.3 Ų75.347%0.46840%0.4SS..EExtended strand (participates in β ladder)trans-122.3147.3174.6-62.6-162.5-71.3-98.11.9110.6T84 M100 T101 S103R82-T84 PolarHBondContact O-N 2.66Å; R82-M100 CarbonylContact O-C 3.57Å; R82-M100 WeakPolarHBondContact O-CA 3.32Å; R82-M100 WeakPolarHBondContact O-CB 3.39Å; R82-T101 PolarHBondContact N-O 3.39Å; R82-T101 PolarHBondContact O-N 3.3Å; R82-S103 VanDerWaalsContact CZ-CB 3.45Å; R82-S103 VanDerWaalsContact CZ-OG 3.32Å; R82-S103 PolarHBondContact NH1-OG 3.33Å; R82-S103 VanDerWaalsContact NH2-CB 3.26Å; R82-S103 PolarHBondContact NH2-OG 3.12Å
83L94.1Very high86.8Confident104 Ų10478.1 Ų78.155%0.54542%0.418SS..EExtended strand (participates in β ladder)trans-53.2128.7174.2-74.7167.3000110.2I73 V98 M100I73-L83 HydrophobicContact CD1-CD2 4.3Å; I73-L83 HydrophobicContact CG1-CD2 4.41Å; I73-L83 HydrophobicContact CG2-CG 4.49Å; L83-V98 HydrophobicContact CD2-CG1 3.62Å; L83-M100 HydrophobicContact CD2-CG 4.11Å
84T92.5Very high85.7Confident26 Ų2679.3 Ų79.316%0.1643%0.43CS..PPolyproline II helixtrans-81.1127.3177.3-550000109.2R82 K88 A89 V99 T101R82-T84 PolarHBondContact O-N 2.66Å; T84-K88 HydrophobicContact CG2-CB 3.94Å; T84-A89 HydrophobicContact CG2-CB 4.19Å; T84-V99 PolarHBondContact N-O 3.34Å; T84-V99 PolarHBondContact OG1-O 3.33Å; T84-T101 PolarHBondContact OG1-N 2.93Å
85S85.6Confident84.9Confident77 Ų7781.5 Ų81.554%0.53845%0.447SS..PPolyproline II helixtrans-59.9146.4177-560000111.2G87 K88S85-G87 PolarHBondContact O-N 2.98Å; S85-K88 WeakPolarHBondContact O-CB 3.35Å; S85-K88 PolarHBondContact O-N 2.78Å
86P79.4Confident84.7Confident138 Ų13880.5 Ų80.590%0.89645%0.446SS*.THydrogen-bonded Turntrans-50.7134.2174.2-25.834.1000111.5K88P86-K88 VanDerWaalsContact C-N 3.26Å; P86-K88 PolarHBondContact O-N 3.12Å
87G80.5Confident84.6Confident83 Ų8384 Ų8486%0.85646%0.461SS*.THydrogen-bonded Turntrans761.9-179.600000115.8S85S85-G87 PolarHBondContact O-N 2.98Å
88K82.9Confident84.6Confident159 Ų15981.8 Ų81.869%0.69145%0.445SS*.  trans-97.8-16.3175.5-66.5-65-172178.40114.3T84 S85 P86T84-K88 HydrophobicContact CG2-CB 3.94Å; S85-K88 WeakPolarHBondContact O-CB 3.35Å; S85-K88 PolarHBondContact O-N 2.78Å; P86-K88 VanDerWaalsContact C-N 3.26Å; P86-K88 PolarHBondContact O-N 3.12Å
89A83Confident84.7Confident17 Ų1774.3 Ų74.314%0.1442%0.417CS..SBendtrans-65.6133173.300000109.4T84 F91 T93 V99T84-A89 HydrophobicContact CG2-CB 4.19Å; A89-F91 HydrophobicContact CB-CD2 4.36Å; A89-F91 HydrophobicContact CB-CE1 4.46Å; A89-F91 HydrophobicContact CB-CE2 4.08Å; A89-F91 HydrophobicContact CB-CZ 4.12Å; A89-F91 PolarHBondContact O-N 3.13Å; A89-F91 VanDerWaalsContact O-N 3.13Å; A89-T93 WeakPolarHBondContact CB-OG1 3.45Å; A89-V99 HydrophobicContact CB-CG1 4.29Å
90P78.4Confident84.9Confident49 Ų4971.8 Ų71.832%0.31841%0.406SS..SBendtrans-74.61.2-176.927.7-32.4000113.8R24 Y59R24-P90 VanDerWaalsContact NH1-CB 3.33Å; Y59-P90 HydrophobicContact CD2-CG 4.48Å; Y59-P90 HydrophobicContact CE1-CG 4.49Å; Y59-P90 HydrophobicContact CE2-CG 3.66Å; Y59-P90 VanDerWaalsContact CZ-CD 3.46Å; Y59-P90 WeakPolarHBondContact OH-CD 3.14Å
91F81.5Confident85Confident17 Ų1771.4 Ų71.48%0.07540%0.401CS..SBendtrans-126.2152.7-179.141.5-90.4000109.8Y20 V26 Y59 A89 T93 V99Y20-F91 HydrophobicContact CD1-CB 3.95Å; Y20-F91 HydrophobicContact CD2-CB 4.47Å; Y20-F91 HydrophobicContact CD2-CD1 4.04Å; Y20-F91 HydrophobicContact CD2-CG 4.46Å; Y20-F91 HydrophobicContact CE1-CB 3.43Å; Y20-F91 VanDerWaalsContact CE1-CB 3.43Å; Y20-F91 HydrophobicContact CE1-CG 4.27Å; Y20-F91 HydrophobicContact CE2-CB 4.02Å; Y20-F91 AromaticContact CE2-CD1 3.91Å; Y20-F91 HydrophobicContact CE2-CD1 3.91Å; Y20-F91 AromaticContact CE2-CG 3.95Å; Y20-F91 HydrophobicContact CE2-CG 3.95Å; Y20-F91 HydrophobicContact CG-CB 4.43Å; Y20-F91 HydrophobicContact CG-CD1 4.48Å; Y20-F91 VanDerWaalsContact CZ-CB 3.46Å; Y20-F91 AromaticContact CZ-CG 3.83Å; V26-F91 HydrophobicContact CG2-CD1 3.57Å; V26-F91 HydrophobicContact CG2-CD2 4.44Å; V26-F91 HydrophobicContact CG2-CE1 3.05Å; V26-F91 HydrophobicContact CG2-CE2 3.98Å; V26-F91 HydrophobicContact CG2-CG 4.26Å; V26-F91 HydrophobicContact CG2-CZ 3.28Å; Y59-F91 HydrophobicContact CD1-CE1 4.2Å; Y59-F91 HydrophobicContact CD1-CZ 4.25Å; Y59-F91 AromaticContact CD2-CE1 3.89Å; Y59-F91 HydrophobicContact CD2-CE1 3.89Å; Y59-F91 HydrophobicContact CE2-CE1 4.35Å; Y59-F91 AromaticContact CG-CE1 3.81Å; Y59-F91 HydrophobicContact CG-CE1 3.81Å; Y59-F91 HydrophobicContact CG-CZ 4.03Å; A89-F91 HydrophobicContact CB-CD2 4.36Å; A89-F91 HydrophobicContact CB-CE1 4.46Å; A89-F91 HydrophobicContact CB-CE2 4.08Å; A89-F91 HydrophobicContact CB-CZ 4.12Å; A89-F91 PolarHBondContact O-N 3.13Å; A89-F91 VanDerWaalsContact O-N 3.13Å; F91-T93 PolarHBondContact O-N 2.76Å; F91-T93 PolarHBondContact O-OG1 2.76Å; F91-V99 HydrophobicContact CE2-CG1 3.98Å; F91-V99 HydrophobicContact CE2-CG2 3.8Å; F91-V99 HydrophobicContact CZ-CG1 3.59Å; F91-V99 HydrophobicContact CZ-CG2 4.28Å
92Q71.1Confident85Confident198 Ų19873.8 Ų73.893%0.92541%0.411SS*.  trans-59.6104.5173.9-79.2-172.2-44.400108.8S94Q92-S94 PolarHBondContact O-N 3.45Å
93T68.6Low84.4Confident60 Ų6069 Ų6937%0.36840%0.396SS..  trans-83.7115.2173.6-38.50000106.4A89 F91 F97 V99A89-T93 WeakPolarHBondContact CB-OG1 3.45Å; F91-T93 PolarHBondContact O-N 2.76Å; F91-T93 PolarHBondContact O-OG1 2.76Å; T93-F97 HydrophobicContact CG2-CB 4.13Å; T93-V99 HydrophobicContact CG2-CG2 3.37Å
94S71Confident83.2Confident69 Ų6969.3 Ų69.348%0.48340%0.398SS..  trans-63.8142.6173.146.20000109.8Q92 G96 F97Q92-S94 PolarHBondContact O-N 3.45Å; S94-G96 VanDerWaalsContact C-N 3.26Å; S94-G96 PolarHBondContact O-N 2.83Å; S94-F97 PolarHBondContact O-N 3.31Å; S94-F97 VanDerWaalsContact O-N 3.13Å; S94-F97 WeakPolarHBondContact OG-CD2 3.12Å; S94-F97 WeakPolarHBondContact OG-CE2 3.33Å
95E74Confident81.1Confident210 Ų21077.8 Ų77.898%0.98144%0.442SS*.THydrogen-bonded Turntrans-60.191.2171.8-73.2-170.215200108.7
96G87.4Confident80.9Confident24 Ų2477.8 Ų77.825%0.24744%0.437CS..THydrogen-bonded Turntrans153.6-13.1-170.500000113.9K64 S94K64-G96 WeakPolarHBondContact CB-O 3.42Å; K64-G96 PolarHBondContact N-O 3.22Å; S94-G96 VanDerWaalsContact C-N 3.26Å; S94-G96 PolarHBondContact O-N 2.83Å
97F90.1Very high81Confident80 Ų8074.6 Ų74.635%0.35141%0.413SS..EExtended strand (participates in β ladder)trans-110.5141.9178.8-74.6-107.2000112.2F62 K64 T93 S94F62-F97 CarbonylContact O-C 3.46Å; F62-F97 WeakPolarHBondContact O-CA 3.33Å; K64-F97 WeakPolarHBondContact CE-O 3.34Å; T93-F97 HydrophobicContact CG2-CB 4.13Å; S94-F97 PolarHBondContact O-N 3.31Å; S94-F97 VanDerWaalsContact O-N 3.13Å; S94-F97 WeakPolarHBondContact OG-CD2 3.12Å; S94-F97 WeakPolarHBondContact OG-CE2 3.33Å
98V92.2Very high81Confident12 Ų1274.2 Ų74.27%0.07339%0.388CS..EExtended strand (participates in β ladder)trans-85137.7161.9-179.40000107D61 F62 K64 I73 L83 M100D61-V98 VanDerWaalsContact CA-O 3.24Å; D61-V98 WeakPolarHBondContact CA-O 2.98Å; D61-V98 WeakPolarHBondContact CB-O 3.21Å; F62-V98 HydrophobicContact CD2-CB 3.97Å; F62-V98 HydrophobicContact CD2-CG2 4.23Å; F62-V98 HydrophobicContact CE1-CB 4.39Å; F62-V98 HydrophobicContact CE1-CG1 4.24Å; F62-V98 HydrophobicContact CE2-CB 3.61Å; F62-V98 HydrophobicContact CE2-CG1 3.89Å; F62-V98 HydrophobicContact CE2-CG2 3.8Å; F62-V98 HydrophobicContact CZ-CB 3.84Å; F62-V98 HydrophobicContact CZ-CG1 3.64Å; F62-V98 HydrophobicContact CZ-CG2 4.41Å; F62-V98 PolarHBondContact N-O 3.03Å; F62-V98 VanDerWaalsContact N-O 3.13Å; F62-V98 PolarHBondContact O-N 2.81Å; K64-V98 HydrophobicContact CB-CG2 4.36Å; K64-V98 HydrophobicContact CG-CG2 3.41Å; K64-V98 VanDerWaalsContact CG-CG2 3.41Å; I73-V98 HydrophobicContact CD1-CG1 4.43Å; I73-V98 HydrophobicContact CG1-CG1 4.31Å; L83-V98 HydrophobicContact CD2-CG1 3.62Å; V98-M100 HydrophobicContact CG1-CG 4.15Å
99V94Very high80.9Confident10 Ų1069.2 Ų69.26%0.06137%0.37CS..EExtended strand (participates in β ladder)trans-125.2133.9171.6-179.10000107.8Y59 V60 D61 T84 A89 F91 T93Y59-V99 HydrophobicContact CD1-CG1 4Å; V60-V99 WeakPolarHBondContact O-CA 3.37Å; D61-V99 HydrophobicContact CB-CG2 4.16Å; T84-V99 PolarHBondContact N-O 3.34Å; T84-V99 PolarHBondContact OG1-O 3.33Å; A89-V99 HydrophobicContact CB-CG1 4.29Å; F91-V99 HydrophobicContact CE2-CG1 3.98Å; F91-V99 HydrophobicContact CE2-CG2 3.8Å; F91-V99 HydrophobicContact CZ-CG1 3.59Å; F91-V99 HydrophobicContact CZ-CG2 4.28Å; T93-V99 HydrophobicContact CG2-CG2 3.37Å
100M94.8Very high80.8Confident0 Ų072.4 Ų72.40%038%0.384CS..EExtended strand (participates in β ladder)trans-124.3142171.6-46.1177.162.100109.1Y59 V60 F62 I73 F76 F81 R82 L83 V98Y59-M100 CarbonylContact C-O 3.41Å; Y59-M100 WeakPolarHBondContact CA-O 3.28Å; V60-M100 HydrophobicContact CG1-CB 3.96Å; V60-M100 HydrophobicContact CG1-CG 4.31Å; V60-M100 HydrophobicContact CG1-SD 4.46Å; V60-M100 PolarHBondContact N-O 2.83Å; V60-M100 PolarHBondContact O-N 3.01Å; F62-M100 HydrophobicContact CE1-SD 4.12Å; F62-M100 HydrophobicContact CZ-SD 4.17Å; I73-M100 HydrophobicContact CB-SD 4.42Å; I73-M100 HydrophobicContact CG1-SD 4.3Å; I73-M100 HydrophobicContact CG2-CE 4.22Å; I73-M100 HydrophobicContact CG2-SD 4.47Å; F76-M100 HydrophobicContact CB-CE 3.98Å; F76-M100 HydrophobicContact CB-SD 3.79Å; F76-M100 HydrophobicContact CD2-SD 4.22Å; F76-M100 HydrophobicContact CG-SD 4.47Å; F81-M100 HydrophobicContact CB-CB 3.93Å; F81-M100 HydrophobicContact CB-CE 3.99Å; F81-M100 HydrophobicContact CD1-CB 4.3Å; R82-M100 CarbonylContact O-C 3.57Å; R82-M100 WeakPolarHBondContact O-CA 3.32Å; R82-M100 WeakPolarHBondContact O-CB 3.39Å; L83-M100 HydrophobicContact CD2-CG 4.11Å; V98-M100 HydrophobicContact CG1-CG 4.15Å
101T94.8Very high80.9Confident39 Ų3974 Ų7424%0.23939%0.389CS..EExtended strand (participates in β ladder)trans-105.8137.7178.6-172.20000109.2Y59 F81 R82 T84Y59-T101 WeakPolarHBondContact CE1-OG1 3.27Å; F81-T101 CarbonylContact C-O 3.48Å; F81-T101 VanDerWaalsContact CA-O 3.27Å; F81-T101 WeakPolarHBondContact CA-O 3.18Å; R82-T101 PolarHBondContact N-O 3.39Å; R82-T101 PolarHBondContact O-N 3.3Å; T84-T101 PolarHBondContact OG1-N 2.93Å
102Y93.2Very high80.9Confident53 Ų5378.1 Ų78.121%0.20841%0.411CS..EExtended strand (participates in β ladder)trans-66.5141.8168.8-174.4-108.6000109.4L58 F79 F81 D104L58-Y102 HydrophobicContact CD1-CD1 3.85Å; L58-Y102 HydrophobicContact CD1-CG 4.14Å; L58-Y102 PolarHBondContact O-N 3.1Å; F79-Y102 WeakPolarHBondContact O-CD2 3.43Å; F79-Y102 VanDerWaalsContact O-CE2 3.3Å; F79-Y102 WeakPolarHBondContact O-CE2 3.19Å; F81-Y102 AromaticContact CD2-CD2 3.97Å; F81-Y102 HydrophobicContact CD2-CD2 3.97Å; F81-Y102 AromaticContact CE2-CD2 3.58Å; F81-Y102 HydrophobicContact CE2-CD2 3.58Å; F81-Y102 HydrophobicContact CE2-CE2 4.43Å; F81-Y102 HydrophobicContact CE2-CG 4.36Å; F81-Y102 AromaticContact CZ-CD2 3.96Å; F81-Y102 HydrophobicContact CZ-CD2 3.96Å; F81-Y102 HydrophobicContact CZ-CG 4.31Å; Y102-D104 HydrophobicContact CE1-CB 4.24Å; Y102-D104 WeakPolarHBondContact CE1-OD1 3.37Å; Y102-D104 PolarHBondContact OH-OD1 3.38Å
103S83.5Confident81.7Confident23 Ų2368.8 Ų68.816%0.16137%0.372CS..  trans-134.8109.4168.3-179.70000107.4S80 R82 L105S80-S103 WeakPolarHBondContact CB-O 3.45Å; S80-S103 PolarHBondContact O-N 3.33Å; R82-S103 VanDerWaalsContact CZ-CB 3.45Å; R82-S103 VanDerWaalsContact CZ-OG 3.32Å; R82-S103 PolarHBondContact NH1-OG 3.33Å; R82-S103 VanDerWaalsContact NH2-CB 3.26Å; R82-S103 PolarHBondContact NH2-OG 3.12Å; S103-L105 PolarHBondContact O-N 3.07Å
104D69Low82.7Confident111 Ų11169.6 Ų69.659%0.59437%0.372SS*.  trans-58.1121.9151.2-89.2-26.5000105.9Y102Y102-D104 HydrophobicContact CE1-CB 4.24Å; Y102-D104 WeakPolarHBondContact CE1-OD1 3.37Å; Y102-D104 PolarHBondContact OH-OD1 3.38Å
105L48.9Very low83.8Confident204 Ų20469.6 Ų69.6100%1.06836%0.362SS*.  trans-76.10169.2-83.8163.7000109S103S103-L105 PolarHBondContact O-N 3.07Å

Retrieved 105 of 105 residues in 35.1 ms (Link to these results)

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