A0A087XUY3_POEFO Loading...

Splicing factor, arginine/serine-rich 1

May play a role in preventing exon skipping, ensuring the accuracy of splicing and regulating alternative splicing.

AlphaFold DB (M4ABD3), UniProt , Accession A0A087XUY3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 245 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
1M38.2Very low42.9Very low244 Ų244120.3 Ų120.3100%1.20275%0.747SS**  098.70-75.1168.9172.100106.7
2S36.3Very low44.4Very low121 Ų121115.2 Ų115.285%0.84671%0.711SS**  trans-108.697.9-179.4-52.60000107.7V4S2-V4 PolarHBondContact O-N 3.28Å
3G40.1Very low45.7Very low74 Ų74114.5 Ų114.576%0.76370%0.7SS**  trans-77.1108.7172.900000108.8V5G3-V5 PolarHBondContact O-N 3.31Å
4V42Very low47.8Very low121 Ų121107.2 Ų107.273%0.73366%0.656SS**  trans-76.1113169.1-176.20000106.9S2 R6S2-V4 PolarHBondContact O-N 3.28Å; V4-R6 PolarHBondContact O-N 2.83Å
5V40.1Very low50.1Low138 Ų138103.9 Ų103.984%0.83663%0.627SS**  trans-63.1113.4175.7175.30000107.8G3 G7G3-V5 PolarHBondContact O-N 3.31Å; V5-G7 PolarHBondContact O-N 2.92Å
6R40.7Very low52.3Low206 Ų20697.4 Ų97.478%0.77759%0.587SS**  trans-78111.9177.8-70.5177166.3-174.5-8.6109.3V4V4-R6 PolarHBondContact O-N 2.83Å
7G40.6Very low54.4Low57 Ų5795.1 Ų95.159%0.58857%0.566SS**  trans-62.6156.4161.800000110.9V5 A9V5-G7 PolarHBondContact O-N 2.92Å; G7-A9 PolarHBondContact O-N 2.79Å
8P45.4Very low56.1Low132 Ų13289.8 Ų89.886%0.85754%0.535SS*.  trans-58.9132.6176.126.5-32.8000108.9G10P8-G10 PolarHBondContact O-N 3.12Å
9A49.1Very low57.6Low83 Ų8385.1 Ų85.169%0.68651%0.507SS*.  trans-50102.5-179.700000110.5G7G7-A9 PolarHBondContact O-N 2.79Å
10G45.6Very low58.9Low28 Ų2884 Ų8429%0.28950%0.498SS..  trans-60.3160.4165.800000109.4P8 N12P8-G10 PolarHBondContact O-N 3.12Å; G10-N12 PolarHBondContact O-N 3.41Å; G10-N12 VanDerWaalsContact O-N 3.11Å
11N54Low60Low119 Ų11980.1 Ų80.164%0.63648%0.475SS*.  trans-38.8118.7-172.5-71.7-34.1000112.3D13 C14N11-D13 PolarHBondContact O-N 3.37Å; N11-C14 PolarHBondContact O-N 3.18Å; N11-C14 VanDerWaalsContact O-N 3.1Å
12N60.7Low61.9Low59 Ų5968.8 Ų68.832%0.31642%0.42SS..THydrogen-bonded Turntrans-60.6-9.2-179.7-62.1-76.3000113.2G10 C14 S89G10-N12 PolarHBondContact O-N 3.41Å; G10-N12 VanDerWaalsContact O-N 3.11Å; N12-C14 VanDerWaalsContact C-N 3.34Å; N12-S89 WeakPolarHBondContact OD1-CB 3.5Å
13D61.8Low63.8Low106 Ų10667.4 Ų67.457%0.56741%0.408SS*.THydrogen-bonded Turntrans-74.4-21.8177.6-54.3-53.4000112.8N11 P62N11-D13 PolarHBondContact O-N 3.37Å; D13-P62 HydrophobicContact CB-CB 4.31Å
14C74.4Confident65.7Low13 Ų1370 Ų709%0.08840%0.404CS..SBendtrans-99.2-0179-45.50000113.2N11 N12 F59 P62N11-C14 PolarHBondContact O-N 3.18Å; N11-C14 VanDerWaalsContact O-N 3.1Å; N12-C14 VanDerWaalsContact C-N 3.34Å; C14-F59 WeakPolarHBondContact CB-O 3.28Å; C14-F59 PolarHBondContact O-N 2.75Å; C14-P62 VanDerWaalsContact SG-CD 3.51Å
15R82.9Confident67.7Low57 Ų5765 Ų6522%0.21537%0.373CS..EExtended strand (participates in β ladder)trans-97.4137.5-176-160.6177.8-169.7-171.8-0.8110.2D44 F56 I57 E58 P87R15-D44 IonicContact NH2-OD2 3.4Å; R15-D44 PolarHBondContact NH2-OD2 2.82Å; R15-F56 HydrophobicContact CG-CB 4.42Å; R15-F56 VanDerWaalsContact NE-CB 3.29Å; R15-F56 VanDerWaalsContact NH2-CB 3.26Å; R15-I57 CarbonylContact C-O 3.57Å; R15-I57 VanDerWaalsContact CA-O 3.29Å; R15-I57 WeakPolarHBondContact CA-O 3.07Å; R15-I57 WeakPolarHBondContact CG-O 3.49Å; R15-E58 HydrophobicContact CG-CB 4.39Å; R15-P87 HydrophobicContact CB-CG 3.85Å; R15-P87 HydrophobicContact CG-CG 3.97Å; R15-P87 WeakPolarHBondContact O-CD 3.14Å; R15-P87 WeakPolarHBondContact O-CG 3.24Å
16I85.3Confident69.8Low0 Ų066.5 Ų66.50%036%0.364CS..EExtended strand (participates in β ladder)trans-119.6150.1172.667.4161.3000109.8V18 F34 F56 I57 F59 A65 A68 V69 V84 F86I16-V18 HydrophobicContact CD1-CG2 3.97Å; I16-V18 HydrophobicContact CG1-CG2 4.36Å; I16-F34 HydrophobicContact CD1-CD1 3.8Å; I16-F34 HydrophobicContact CD1-CE1 3.55Å; I16-F34 HydrophobicContact CD1-CZ 4.26Å; I16-F56 CarbonylContact O-C 3.55Å; I16-F56 VanDerWaalsContact O-CA 3.24Å; I16-F56 WeakPolarHBondContact O-CA 3.4Å; I16-I57 HydrophobicContact CD1-CB 4.19Å; I16-I57 HydrophobicContact CD1-CD1 4.05Å; I16-I57 HydrophobicContact CG1-CB 3.69Å; I16-I57 HydrophobicContact CG1-CD1 4.4Å; I16-I57 HydrophobicContact CG1-CG1 4.37Å; I16-I57 PolarHBondContact N-O 2.75Å; I16-I57 PolarHBondContact O-N 3.45Å; I16-F59 HydrophobicContact CD1-CE2 3.51Å; I16-F59 HydrophobicContact CD1-CZ 4.17Å; I16-F59 HydrophobicContact CG1-CD2 4.31Å; I16-F59 HydrophobicContact CG1-CE2 3.71Å; I16-F59 HydrophobicContact CG2-CD2 4.33Å; I16-F59 HydrophobicContact CG2-CE2 4.19Å; I16-A65 HydrophobicContact CG2-CB 3.76Å; I16-A65 WeakPolarHBondContact CG2-O 3.5Å; I16-A68 HydrophobicContact CD1-CB 4.13Å; I16-V69 HydrophobicContact CB-CG2 4.1Å; I16-V69 HydrophobicContact CG2-CG2 3.54Å; I16-V84 HydrophobicContact CB-CG1 4.3Å; I16-V84 HydrophobicContact CD1-CG1 3.65Å; I16-V84 HydrophobicContact CG1-CG1 4.48Å; I16-F86 HydrophobicContact CG2-CD1 4.44Å; I16-F86 HydrophobicContact CG2-CE1 4.33Å
17Y87.1Confident71.8Confident58 Ų5859.8 Ų59.823%0.22735%0.346CS..EExtended strand (participates in β ladder)trans-104128172.2166.2-95000108.3F54 F56 V84 E85Y17-F54 HydrophobicContact CD2-CB 4.49Å; Y17-F54 HydrophobicContact CD2-CD2 4.44Å; Y17-F54 HydrophobicContact CE2-CB 3.56Å; Y17-F54 AromaticContact CE2-CD2 3.8Å; Y17-F54 HydrophobicContact CE2-CD2 3.8Å; Y17-F54 AromaticContact CE2-CG 3.88Å; Y17-F54 HydrophobicContact CE2-CG 3.88Å; Y17-F56 HydrophobicContact CD2-CD1 4.02Å; Y17-F56 AromaticContact CD2-CE1 3.5Å; Y17-F56 HydrophobicContact CD2-CE1 3.5Å; Y17-F56 AromaticContact CD2-CZ 3.83Å; Y17-F56 HydrophobicContact CD2-CZ 3.83Å; Y17-F56 HydrophobicContact CE2-CE1 4.48Å; Y17-F56 HydrophobicContact CE2-CZ 4.41Å; Y17-F56 HydrophobicContact CG-CE1 4.19Å; Y17-V84 CarbonylContact O-C 3.5Å; Y17-V84 VanDerWaalsContact O-CA 3.28Å; Y17-V84 WeakPolarHBondContact O-CA 3.48Å; Y17-E85 WeakPolarHBondContact CA-O 3.49Å; Y17-E85 VanDerWaalsContact CB-O 3.28Å; Y17-E85 WeakPolarHBondContact CB-O 3.44Å; Y17-E85 HydrophobicContact CD1-CB 4.34Å; Y17-E85 PolarHBondContact N-O 3.28Å; Y17-E85 PolarHBondContact O-N 3.12Å
18V86.6Confident73.9Confident0 Ų064.5 Ų64.50%035%0.35CS..EExtended strand (participates in β ladder)trans-117.3109.7176.5-170.10000108.3I16 L21 F34 F54 A55 I57 R83 V84I16-V18 HydrophobicContact CD1-CG2 3.97Å; I16-V18 HydrophobicContact CG1-CG2 4.36Å; V18-L21 HydrophobicContact CB-CD1 4.28Å; V18-L21 HydrophobicContact CG1-CD1 4.06Å; V18-L21 HydrophobicContact CG1-CD2 3.67Å; V18-L21 HydrophobicContact CG1-CG 3.89Å; V18-F34 HydrophobicContact CB-CZ 4.46Å; V18-F34 HydrophobicContact CG1-CE2 4.07Å; V18-F34 HydrophobicContact CG1-CZ 4.01Å; V18-F34 HydrophobicContact CG2-CE1 4.26Å; V18-F34 HydrophobicContact CG2-CE2 3.83Å; V18-F34 HydrophobicContact CG2-CZ 3.54Å; V18-F54 CarbonylContact O-C 3.46Å; V18-F54 WeakPolarHBondContact O-CA 3.44Å; V18-F54 WeakPolarHBondContact O-CB 3.37Å; V18-A55 PolarHBondContact N-O 3.21Å; V18-A55 PolarHBondContact O-N 3.4Å; V18-I57 HydrophobicContact CG2-CD1 3.72Å; V18-I57 HydrophobicContact CG2-CG1 4.22Å; V18-R83 CarbonylContact C-O 3.48Å; V18-R83 VanDerWaalsContact CA-O 3.28Å; V18-R83 WeakPolarHBondContact CA-O 3.13Å; V18-V84 HydrophobicContact CG1-CG2 4.29Å; V18-V84 HydrophobicContact CG2-CG1 4.31Å; V18-V84 HydrophobicContact CG2-CG2 4.42Å
19G84.3Confident75.8Confident0 Ų060.5 Ų60.50%032%0.322CS..EExtended strand (participates in β ladder)trans-107.5168.6178.200000112.4L21 R83G19-L21 VanDerWaalsContact C-N 3.28Å; G19-L21 PolarHBondContact O-N 3.38Å; G19-R83 PolarHBondContact N-O 2.83Å; G19-R83 PolarHBondContact O-N 3.47Å
20N83.1Confident77.5Confident64 Ų6456.7 Ų56.734%0.34229%0.29SS..SBendtrans59.637.4-179.4-159.849.4000113.2R81N20-R81 WeakPolarHBondContact CB-O 3.1Å; N20-R81 PolarHBondContact ND2-O 3.26Å
21L82.4Confident79.4Confident3 Ų359.5 Ų59.52%0.01630%0.296CS..  trans-77.4150.1174.8-66.1160.4000110.4V18 G19 I25 V30 P53 A55 L82V18-L21 HydrophobicContact CB-CD1 4.28Å; V18-L21 HydrophobicContact CG1-CD1 4.06Å; V18-L21 HydrophobicContact CG1-CD2 3.67Å; V18-L21 HydrophobicContact CG1-CG 3.89Å; G19-L21 VanDerWaalsContact C-N 3.28Å; G19-L21 PolarHBondContact O-N 3.38Å; L21-I25 HydrophobicContact CB-CB 4.25Å; L21-I25 HydrophobicContact CB-CG1 4.36Å; L21-I25 HydrophobicContact CB-CG2 3.65Å; L21-I25 HydrophobicContact CD1-CG2 4.37Å; L21-I25 HydrophobicContact CD2-CD1 4.29Å; L21-I25 HydrophobicContact CD2-CG1 4.11Å; L21-V30 HydrophobicContact CD1-CG2 4.28Å; L21-V30 HydrophobicContact CD2-CG2 4.41Å; L21-P53 HydrophobicContact CB-CB 4.31Å; L21-P53 PolarHBondContact N-O 3.12Å; L21-P53 VanDerWaalsContact O-CD 3.27Å; L21-P53 WeakPolarHBondContact O-CD 3.24Å; L21-A55 HydrophobicContact CD1-CB 3.63Å; L21-L82 HydrophobicContact CD2-CD1 4.44Å; L21-L82 HydrophobicContact CD2-CD2 3.6Å; L21-L82 HydrophobicContact CG-CD2 4.4Å
22P78Confident80.8Confident6 Ų659.7 Ų59.74%0.03930%0.296CS..  trans-58.9149176.610.1-17000112D24 I25 Y77 Y80P22-D24 PolarHBondContact O-N 2.92Å; P22-D24 VanDerWaalsContact O-N 3.16Å; P22-I25 HydrophobicContact CG-CB 4.02Å; P22-I25 HydrophobicContact CG-CD1 3.94Å; P22-I25 VanDerWaalsContact O-CB 3.23Å; P22-I25 WeakPolarHBondContact O-CB 3.39Å; P22-I25 WeakPolarHBondContact O-CG2 3.25Å; P22-I25 PolarHBondContact O-N 2.68Å; P22-Y77 HydrophobicContact CG-CD1 3.99Å; P22-Y77 HydrophobicContact CG-CE1 4.3Å; P22-Y80 HydrophobicContact CB-CD2 3.64Å; P22-Y80 HydrophobicContact CB-CE2 3.76Å; P22-Y80 HydrophobicContact CB-CG 4.13Å; P22-Y80 HydrophobicContact CG-CD2 4.17Å
23P76.3Confident81.8Confident91 Ų9157.6 Ų57.659%0.59129%0.286SS*.THydrogen-bonded Turntrans-61.1-23.4179.525.1-33.6000114.1
24D80.2Confident82.8Confident129 Ų12952.6 Ų52.669%0.6926%0.259SS*.THydrogen-bonded Turntrans-90.6-3.7178.1-144.3-97.3000113.6P22 R26P22-D24 PolarHBondContact O-N 2.92Å; P22-D24 VanDerWaalsContact O-N 3.16Å; D24-R26 PolarHBondContact O-N 3.3Å
25I82.9Confident83.2Confident16 Ų1659.8 Ų59.88%0.08229%0.285CS..  trans-59.1133.3-177-161.483000111.5L21 P22 D29 V30 L45 P53 Y77L21-I25 HydrophobicContact CB-CB 4.25Å; L21-I25 HydrophobicContact CB-CG1 4.36Å; L21-I25 HydrophobicContact CB-CG2 3.65Å; L21-I25 HydrophobicContact CD1-CG2 4.37Å; L21-I25 HydrophobicContact CD2-CD1 4.29Å; L21-I25 HydrophobicContact CD2-CG1 4.11Å; P22-I25 HydrophobicContact CG-CB 4.02Å; P22-I25 HydrophobicContact CG-CD1 3.94Å; P22-I25 VanDerWaalsContact O-CB 3.23Å; P22-I25 WeakPolarHBondContact O-CB 3.39Å; P22-I25 WeakPolarHBondContact O-CG2 3.25Å; P22-I25 PolarHBondContact O-N 2.68Å; I25-D29 HydrophobicContact CD1-CB 3.65Å; I25-D29 HydrophobicContact CG1-CB 4.2Å; I25-V30 HydrophobicContact CD1-CG2 4.4Å; I25-V30 HydrophobicContact CG1-CG2 3.71Å; I25-L45 HydrophobicContact CG2-CD1 3.98Å; I25-P53 HydrophobicContact CG2-CB 4.34Å; I25-Y77 HydrophobicContact CD1-CD1 4.21Å; I25-Y77 HydrophobicContact CD1-CE1 3.74Å
26R85.3Confident83Confident169 Ų16962.9 Ų62.964%0.63830%0.3SS*.  trans-110.5163.8174-55.7-178.7176.8-173.2-1.2110.6D24 K28 D29 V30D24-R26 PolarHBondContact O-N 3.3Å; R26-K28 PolarHBondContact O-N 2.97Å; R26-D29 WeakPolarHBondContact CA-OD2 3.22Å; R26-D29 VanDerWaalsContact CB-OD2 3.24Å; R26-D29 WeakPolarHBondContact CB-OD2 3.35Å; R26-D29 PolarHBondContact N-OD2 3.42Å; R26-D29 PolarHBondContact O-N 2.88Å; R26-V30 PolarHBondContact O-N 2.8Å; R26-V30 VanDerWaalsContact O-N 3.12Å
27T82.8Confident82.7Confident65 Ų6565 Ų6540%0.39931%0.309SS..Hα-helixtrans-52.1-37.9174.2-51.20000112V30 E31 I43T27-V30 PolarHBondContact O-N 3.11Å; T27-E31 PolarHBondContact O-N 2.76Å; T27-I43 HydrophobicContact CG2-CB 3.71Å; T27-I43 HydrophobicContact CG2-CD1 4.08Å; T27-I43 HydrophobicContact CG2-CG1 4.46Å; T27-I43 HydrophobicContact CG2-CG2 3.71Å
28K83.7Confident82.3Confident157 Ų15762.8 Ų62.868%0.68330%0.304SS*.Hα-helixtrans-65.3-42.9177-69-171.1174.3-170.50113.2R26 V30 E31 D32R26-K28 PolarHBondContact O-N 2.97Å; K28-V30 VanDerWaalsContact C-N 3.27Å; K28-V30 PolarHBondContact O-N 3.48Å; K28-E31 WeakPolarHBondContact O-CB 3.44Å; K28-E31 PolarHBondContact O-N 2.96Å; K28-E31 VanDerWaalsContact O-N 3.12Å; K28-D32 PolarHBondContact O-N 3.3Å
29D85.4Confident82.1Confident48 Ų4866.7 Ų66.726%0.25733%0.328SS..Hα-helixtrans-65.2-37.5178.7-51.1-60.4000110.6I25 R26 D32 V33I25-D29 HydrophobicContact CD1-CB 3.65Å; I25-D29 HydrophobicContact CG1-CB 4.2Å; R26-D29 WeakPolarHBondContact CA-OD2 3.22Å; R26-D29 VanDerWaalsContact CB-OD2 3.24Å; R26-D29 WeakPolarHBondContact CB-OD2 3.35Å; R26-D29 PolarHBondContact N-OD2 3.42Å; R26-D29 PolarHBondContact O-N 2.88Å; D29-D32 PolarHBondContact O-N 2.83Å; D29-V33 WeakPolarHBondContact O-CB 3.48Å; D29-V33 WeakPolarHBondContact O-CG2 3.28Å; D29-V33 PolarHBondContact O-N 2.87Å; D29-V33 VanDerWaalsContact O-N 3.08Å
30V84Confident82.1Confident2 Ų268.1 Ų68.11%0.01234%0.335CS..Hα-helixtrans-63.9-43.8172.8178.90000110.4L21 I25 R26 T27 K28 V33 F34 I43 L45 A55 I57L21-V30 HydrophobicContact CD1-CG2 4.28Å; L21-V30 HydrophobicContact CD2-CG2 4.41Å; I25-V30 HydrophobicContact CD1-CG2 4.4Å; I25-V30 HydrophobicContact CG1-CG2 3.71Å; R26-V30 PolarHBondContact O-N 2.8Å; R26-V30 VanDerWaalsContact O-N 3.12Å; T27-V30 PolarHBondContact O-N 3.11Å; K28-V30 VanDerWaalsContact C-N 3.27Å; K28-V30 PolarHBondContact O-N 3.48Å; V30-V33 PolarHBondContact O-N 3.45Å; V30-F34 HydrophobicContact CG1-CD2 4.01Å; V30-F34 HydrophobicContact CG1-CE2 4.37Å; V30-F34 VanDerWaalsContact O-CD2 3.25Å; V30-F34 WeakPolarHBondContact O-CD2 3.47Å; V30-F34 PolarHBondContact O-N 3.13Å; V30-I43 HydrophobicContact CB-CG2 4.47Å; V30-I43 HydrophobicContact CG1-CG2 4.09Å; V30-L45 HydrophobicContact CG2-CD1 4.24Å; V30-A55 HydrophobicContact CG1-CB 4.4Å; V30-A55 HydrophobicContact CG2-CB 4.46Å; V30-I57 HydrophobicContact CG1-CD1 3.3Å; V30-I57 HydrophobicContact CG1-CG1 3.77Å
31E85.7Confident82.1Confident88 Ų8873.5 Ų73.541%0.41135%0.351SS..Hα-helixtrans-58.4-50.8175.1-166177.4172.500111.5T27 K28 V33 F34 Y35 I40 I43T27-E31 PolarHBondContact O-N 2.76Å; K28-E31 WeakPolarHBondContact O-CB 3.44Å; K28-E31 PolarHBondContact O-N 2.96Å; K28-E31 VanDerWaalsContact O-N 3.12Å; E31-V33 VanDerWaalsContact C-N 3.3Å; E31-V33 PolarHBondContact O-N 2.78Å; E31-F34 PolarHBondContact O-N 3.42Å; E31-F34 VanDerWaalsContact O-N 3.13Å; E31-Y35 WeakPolarHBondContact O-CA 3.45Å; E31-Y35 WeakPolarHBondContact O-CB 3.43Å; E31-Y35 PolarHBondContact O-N 3.39Å; E31-I40 HydrophobicContact CG-CD1 4.11Å; E31-I43 HydrophobicContact CB-CD1 3.66Å; E31-I43 HydrophobicContact CG-CD1 4.07Å
32D83.6Confident82Confident122 Ų12277.6 Ų77.665%0.65237%0.373SS*.Hα-helixtrans-60.2-37.5-179-74.9-29.4000112.7K28 D29K28-D32 PolarHBondContact O-N 3.3Å; D29-D32 PolarHBondContact O-N 2.83Å
33V82.1Confident82.3Confident15 Ų1578.5 Ų78.59%0.09138%0.377CS..Hα-helixtrans-69.9-34.9178.8170.90000112.1D29 V30 E31 R72 Y77 L82D29-V33 WeakPolarHBondContact O-CB 3.48Å; D29-V33 WeakPolarHBondContact O-CG2 3.28Å; D29-V33 PolarHBondContact O-N 2.87Å; D29-V33 VanDerWaalsContact O-N 3.08Å; V30-V33 PolarHBondContact O-N 3.45Å; E31-V33 VanDerWaalsContact C-N 3.3Å; E31-V33 PolarHBondContact O-N 2.78Å; V33-R72 HydrophobicContact CG1-CG 4.48Å; V33-Y77 HydrophobicContact CG2-CD2 4.15Å; V33-Y77 HydrophobicContact CG2-CE2 3.83Å; V33-L82 HydrophobicContact CG1-CD1 4.43Å
34F82.8Confident82.7Confident1 Ų176.3 Ų76.30%0.00436%0.36CS..Hα-helixtrans-103-14.8-171.6-74.8-83.9000114.2I16 V18 V30 E31 K36 Y37 I40 I57 F59 A68 R72 V84I16-F34 HydrophobicContact CD1-CD1 3.8Å; I16-F34 HydrophobicContact CD1-CE1 3.55Å; I16-F34 HydrophobicContact CD1-CZ 4.26Å; V18-F34 HydrophobicContact CB-CZ 4.46Å; V18-F34 HydrophobicContact CG1-CE2 4.07Å; V18-F34 HydrophobicContact CG1-CZ 4.01Å; V18-F34 HydrophobicContact CG2-CE1 4.26Å; V18-F34 HydrophobicContact CG2-CE2 3.83Å; V18-F34 HydrophobicContact CG2-CZ 3.54Å; V30-F34 HydrophobicContact CG1-CD2 4.01Å; V30-F34 HydrophobicContact CG1-CE2 4.37Å; V30-F34 VanDerWaalsContact O-CD2 3.25Å; V30-F34 WeakPolarHBondContact O-CD2 3.47Å; V30-F34 PolarHBondContact O-N 3.13Å; E31-F34 PolarHBondContact O-N 3.42Å; E31-F34 VanDerWaalsContact O-N 3.13Å; F34-K36 PolarHBondContact O-N 3.4Å; F34-K36 VanDerWaalsContact O-N 3.16Å; F34-Y37 HydrophobicContact CD1-CD2 4.36Å; F34-Y37 PolarHBondContact O-N 3.38Å; F34-I40 HydrophobicContact CB-CD1 3.87Å; F34-I57 HydrophobicContact CB-CD1 3.96Å; F34-I57 HydrophobicContact CD1-CD1 4Å; F34-I57 HydrophobicContact CD2-CD1 3.28Å; F34-I57 HydrophobicContact CE1-CD1 4.32Å; F34-I57 HydrophobicContact CE2-CD1 3.67Å; F34-I57 HydrophobicContact CG-CD1 3.46Å; F34-I57 VanDerWaalsContact CG-CD1 3.46Å; F34-I57 HydrophobicContact CZ-CD1 4.17Å; F34-F59 HydrophobicContact CB-CZ 4.11Å; F34-F59 HydrophobicContact CD1-CZ 4.14Å; F34-A68 HydrophobicContact CD1-CB 4.01Å; F34-A68 HydrophobicContact CE1-CB 4.3Å; F34-R72 HydrophobicContact CE1-CB 3.93Å; F34-R72 HydrophobicContact CE1-CG 4.11Å; F34-R72 HydrophobicContact CZ-CB 4.15Å; F34-R72 HydrophobicContact CZ-CG 4.42Å; F34-V84 HydrophobicContact CE1-CG1 4.22Å; F34-V84 HydrophobicContact CE1-CG2 4.15Å; F34-V84 HydrophobicContact CZ-CG1 4.46Å; F34-V84 HydrophobicContact CZ-CG2 3.79Å
35Y82.1Confident83Confident164 Ų16472.6 Ų72.664%0.64334%0.34SS*.THydrogen-bonded Turntrans-56.5-32.4178.6178.3-95.5000113E31 Y37 G38E31-Y35 WeakPolarHBondContact O-CA 3.45Å; E31-Y35 WeakPolarHBondContact O-CB 3.43Å; E31-Y35 PolarHBondContact O-N 3.39Å; Y35-Y37 PolarHBondContact O-N 3.1Å; Y35-G38 PolarHBondContact O-N 3.31Å
36K79.7Confident82.9Confident122 Ų12277 Ų7753%0.5336%0.358SS..THydrogen-bonded Turntrans-67.9-15.4179.670.7178.2-172.41670114.7F34F34-K36 PolarHBondContact O-N 3.4Å; F34-K36 VanDerWaalsContact O-N 3.16Å
37Y78.6Confident82.4Confident44 Ų4474 Ų7417%0.17336%0.355CS..THydrogen-bonded Turntrans-96.1-28.3-179.2-63.4-80000112.6F34 Y35 D64 D67 A68 G71 R72F34-Y37 HydrophobicContact CD1-CD2 4.36Å; F34-Y37 PolarHBondContact O-N 3.38Å; Y35-Y37 PolarHBondContact O-N 3.1Å; Y37-D64 WeakPolarHBondContact O-CB 3.47Å; Y37-D67 HydrophobicContact CD1-CB 4.33Å; Y37-A68 HydrophobicContact CD1-CB 4.45Å; Y37-A68 HydrophobicContact CD2-CB 4.16Å; Y37-A68 HydrophobicContact CG-CB 3.92Å; Y37-G71 PolarHBondContact OH-O 3.18Å; Y37-R72 HydrophobicContact CD2-CG 4.5Å; Y37-R72 HydrophobicContact CE2-CG 3.41Å; Y37-R72 VanDerWaalsContact CE2-CG 3.41Å; Y37-R72 WeakPolarHBondContact OH-CD 3.29Å; Y37-R72 WeakPolarHBondContact OH-CG 3.14Å; Y37-R72 PolarHBondContact OH-NE 3Å
38G79.6Confident81.7Confident13 Ų1378.6 Ų78.613%0.13437%0.365CS..SBendtrans171.9175.6179.200000113.6Y35 I40 D64Y35-G38 PolarHBondContact O-N 3.31Å; G38-I40 PolarHBondContact O-N 2.95Å; G38-D64 VanDerWaalsContact CA-OD2 3.3Å; G38-D64 WeakPolarHBondContact CA-OD2 3.37Å
39T81.4Confident80.5Confident81 Ų8182.9 Ų82.950%0.49738%0.377SS..  trans-71.7119.2179.1-51.80000109.8E60T39-E60 WeakPolarHBondContact CB-OE2 3.49Å; T39-E60 PolarHBondContact O-N 3.4Å
40I83.9Confident79.4Confident31 Ų3184.6 Ų84.616%0.15941%0.406CS..EExtended strand (participates in β ladder)trans-84.4124.8177.8-59.7168000108.9E31 F34 G38 I43 I57 F59E31-I40 HydrophobicContact CG-CD1 4.11Å; F34-I40 HydrophobicContact CB-CD1 3.87Å; G38-I40 PolarHBondContact O-N 2.95Å; I40-I43 HydrophobicContact CD1-CD1 4.26Å; I40-I43 HydrophobicContact CG2-CD1 3.92Å; I40-I43 HydrophobicContact CG2-CG1 3.46Å; I40-I43 VanDerWaalsContact CG2-CG1 3.46Å; I40-I57 HydrophobicContact CB-CG2 4.38Å; I40-I57 HydrophobicContact CD1-CG2 4.19Å; I40-I57 HydrophobicContact CG1-CG2 3.96Å; I40-I57 HydrophobicContact CG2-CG2 3.6Å; I40-F59 HydrophobicContact CG1-CD1 4.09Å; I40-F59 HydrophobicContact CG1-CE1 3.74Å; I40-F59 HydrophobicContact CG1-CZ 4.46Å
41R83.7Confident78.6Confident177 Ų17785.9 Ų85.967%0.66842%0.419SS*.EExtended strand (participates in β ladder)trans-83.1-44.8177.1-168.6-173.5-176.299.34.5111.7E58R41-E58 WeakPolarHBondContact CA-O 3.37Å; R41-E58 HydrophobicContact CB-CB 4.47Å; R41-E58 HydrophobicContact CB-CG 4.37Å; R41-E58 WeakPolarHBondContact CB-O 3.5Å; R41-E58 PolarHBondContact N-O 2.81Å; R41-E58 IonicContact NE-OE1 2.84Å
42D80.4Confident78.1Confident88 Ų8885.5 Ų85.547%0.47143%0.425SS..EExtended strand (participates in β ladder)trans-154.4150.7-178.9-167.325.4000112.2E58D42-E58 HydrophobicContact CB-CB 4.31Å; D42-E58 PolarHBondContact N-O 3.3Å; D42-E58 PolarHBondContact O-N 3.25Å
43I85.1Confident78Confident25 Ų2580.2 Ų80.213%0.12840%0.397CS..EExtended strand (participates in β ladder)trans-131.4113.8177.6-53.4174.6000109.8T27 V30 E31 I40 F56 I57T27-I43 HydrophobicContact CG2-CB 3.71Å; T27-I43 HydrophobicContact CG2-CD1 4.08Å; T27-I43 HydrophobicContact CG2-CG1 4.46Å; T27-I43 HydrophobicContact CG2-CG2 3.71Å; V30-I43 HydrophobicContact CB-CG2 4.47Å; V30-I43 HydrophobicContact CG1-CG2 4.09Å; E31-I43 HydrophobicContact CB-CD1 3.66Å; E31-I43 HydrophobicContact CG-CD1 4.07Å; I40-I43 HydrophobicContact CD1-CD1 4.26Å; I40-I43 HydrophobicContact CG2-CD1 3.92Å; I40-I43 HydrophobicContact CG2-CG1 3.46Å; I40-I43 VanDerWaalsContact CG2-CG1 3.46Å; I43-F56 CarbonylContact C-O 3.59Å; I43-F56 WeakPolarHBondContact CA-O 3.32Å; I43-I57 HydrophobicContact CG1-CG2 4.43Å; I43-I57 HydrophobicContact CG2-CG1 4.43Å
44D84.7Confident78.2Confident45 Ų4581.6 Ų81.624%0.24140%0.402CS..EExtended strand (participates in β ladder)trans-105.592.4176.5-176.512.5000110.2R15 A55 F56R15-D44 IonicContact NH2-OD2 3.4Å; R15-D44 PolarHBondContact NH2-OD2 2.82Å; D44-A55 CarbonylContact O-C 3.45Å; D44-A55 VanDerWaalsContact O-CA 3.31Å; D44-A55 WeakPolarHBondContact O-CA 3.49Å; D44-F56 HydrophobicContact CB-CB 4.34Å; D44-F56 PolarHBondContact N-O 3.41Å; D44-F56 PolarHBondContact O-N 2.97Å
45L85.3Confident78.4Confident51 Ų5181.6 Ų81.627%0.26740%0.402SS..EExtended strand (participates in β ladder)trans-84.6120.3176.3-172.3143.5000110.8I25 V30 A55I25-L45 HydrophobicContact CG2-CD1 3.98Å; V30-L45 HydrophobicContact CG2-CD1 4.24Å; L45-A55 HydrophobicContact CB-CB 4.43Å
46K80.3Confident78.6Confident108 Ų10875.9 Ų75.947%0.4738%0.38SS..EExtended strand (participates in β ladder)trans-119.9108.3-177-169.864174.8-178.90111.8F54K46-F54 CarbonylContact C-O 3.41Å; K46-F54 WeakPolarHBondContact CA-O 3.42Å; K46-F54 HydrophobicContact CB-CD2 3.75Å; K46-F54 HydrophobicContact CB-CE1 4.21Å; K46-F54 HydrophobicContact CB-CE2 3.36Å; K46-F54 HydrophobicContact CB-CG 4.35Å; K46-F54 HydrophobicContact CB-CZ 3.62Å; K46-F54 HydrophobicContact CG-CD2 4.33Å; K46-F54 HydrophobicContact CG-CE1 3.93Å; K46-F54 HydrophobicContact CG-CE2 3.48Å; K46-F54 VanDerWaalsContact CG-CE2 3.48Å; K46-F54 HydrophobicContact CG-CZ 3.24Å; K46-F54 PolarHBondContact N-O 2.98Å; K46-F54 WeakPolarHBondContact O-CD1 3.31Å; K46-F54 PolarHBondContact O-N 3.46Å; K46-F54 VanDerWaalsContact O-N 3.08Å
47N76.3Confident79Confident106 Ų10670 Ų7057%0.56736%0.355SS*.  trans-89.9118.4170.5-167.8-2.6000110.3
48R67.4Low79.2Confident162 Ų16269.2 Ų69.261%0.61135%0.353SS*.  trans-98124.3175.2-177.6177.2-175.7-100.90.8109G50 G51 F54R48-G50 PolarHBondContact O-N 3.28Å; R48-G51 PolarHBondContact O-N 2.85Å; R48-G51 VanDerWaalsContact O-N 3.1Å; R48-F54 HydrophobicContact CB-CE1 4.08Å
49R58Low79.4Confident248 Ų24868.7 Ų68.794%0.93635%0.347SS*.THydrogen-bonded Turntrans-57.6111172.5-64.6-170.8-170.2-1432.7109.2
50G62.4Low79.3Confident83 Ų8370.7 Ų70.786%0.85635%0.351SS*.THydrogen-bonded Turntrans94.516.417900000116.3R48R48-G50 PolarHBondContact O-N 3.28Å
51G68.3Low78.9Confident29 Ų2972 Ų7230%0.29936%0.358SS..SBendtrans-147.7165.8169.900000111.9R48R48-G51 PolarHBondContact O-N 2.85Å; R48-G51 VanDerWaalsContact O-N 3.1Å
52P74.1Confident78.3Confident81 Ų8166.5 Ų66.553%0.52635%0.345SS..  trans-59.7139.4177.422.5-30.9000110.5
53P81.9Confident78.1Confident11 Ų1171.3 Ų71.37%0.07136%0.357CS..  trans-53.8146.9173-1823.3000111.9L21 I25L21-P53 HydrophobicContact CB-CB 4.31Å; L21-P53 PolarHBondContact N-O 3.12Å; L21-P53 VanDerWaalsContact O-CD 3.27Å; L21-P53 WeakPolarHBondContact O-CD 3.24Å; I25-P53 HydrophobicContact CG2-CB 4.34Å
54F85.4Confident77.8Confident44 Ų4472 Ų7219%0.19336%0.36CS..EExtended strand (participates in β ladder)trans-135.9152.8172.658.3-85.9000110.6Y17 V18 K46 R48 F56Y17-F54 HydrophobicContact CD2-CB 4.49Å; Y17-F54 HydrophobicContact CD2-CD2 4.44Å; Y17-F54 HydrophobicContact CE2-CB 3.56Å; Y17-F54 AromaticContact CE2-CD2 3.8Å; Y17-F54 HydrophobicContact CE2-CD2 3.8Å; Y17-F54 AromaticContact CE2-CG 3.88Å; Y17-F54 HydrophobicContact CE2-CG 3.88Å; V18-F54 CarbonylContact O-C 3.46Å; V18-F54 WeakPolarHBondContact O-CA 3.44Å; V18-F54 WeakPolarHBondContact O-CB 3.37Å; K46-F54 CarbonylContact C-O 3.41Å; K46-F54 WeakPolarHBondContact CA-O 3.42Å; K46-F54 HydrophobicContact CB-CD2 3.75Å; K46-F54 HydrophobicContact CB-CE1 4.21Å; K46-F54 HydrophobicContact CB-CE2 3.36Å; K46-F54 HydrophobicContact CB-CG 4.35Å; K46-F54 HydrophobicContact CB-CZ 3.62Å; K46-F54 HydrophobicContact CG-CD2 4.33Å; K46-F54 HydrophobicContact CG-CE1 3.93Å; K46-F54 HydrophobicContact CG-CE2 3.48Å; K46-F54 VanDerWaalsContact CG-CE2 3.48Å; K46-F54 HydrophobicContact CG-CZ 3.24Å; K46-F54 PolarHBondContact N-O 2.98Å; K46-F54 WeakPolarHBondContact O-CD1 3.31Å; K46-F54 PolarHBondContact O-N 3.46Å; K46-F54 VanDerWaalsContact O-N 3.08Å; R48-F54 HydrophobicContact CB-CE1 4.08Å; F54-F56 HydrophobicContact CD2-CD2 4.44Å; F54-F56 AromaticContact CD2-CE2 3.84Å; F54-F56 HydrophobicContact CD2-CE2 3.84Å; F54-F56 HydrophobicContact CD2-CZ 4.3Å; F54-F56 AromaticContact CE2-CE2 3.71Å; F54-F56 HydrophobicContact CE2-CE2 3.71Å; F54-F56 HydrophobicContact CE2-CZ 4.25Å
55A86.8Confident77.4Confident0 Ų069.8 Ų69.80%035%0.349CS..EExtended strand (participates in β ladder)trans-127.3153.9174.500000110V18 L21 V30 D44 L45V18-A55 PolarHBondContact N-O 3.21Å; V18-A55 PolarHBondContact O-N 3.4Å; L21-A55 HydrophobicContact CD1-CB 3.63Å; V30-A55 HydrophobicContact CG1-CB 4.4Å; V30-A55 HydrophobicContact CG2-CB 4.46Å; D44-A55 CarbonylContact O-C 3.45Å; D44-A55 VanDerWaalsContact O-CA 3.31Å; D44-A55 WeakPolarHBondContact O-CA 3.49Å; L45-A55 HydrophobicContact CB-CB 4.43Å
56F87.4Confident76.9Confident44 Ų4470.2 Ų70.219%0.19335%0.351CS..EExtended strand (participates in β ladder)trans-115.6132.3163.1-60.9-87.1000108.9R15 I16 Y17 I43 D44 F54 P87R15-F56 HydrophobicContact CG-CB 4.42Å; R15-F56 VanDerWaalsContact NE-CB 3.29Å; R15-F56 VanDerWaalsContact NH2-CB 3.26Å; I16-F56 CarbonylContact O-C 3.55Å; I16-F56 VanDerWaalsContact O-CA 3.24Å; I16-F56 WeakPolarHBondContact O-CA 3.4Å; Y17-F56 HydrophobicContact CD2-CD1 4.02Å; Y17-F56 AromaticContact CD2-CE1 3.5Å; Y17-F56 HydrophobicContact CD2-CE1 3.5Å; Y17-F56 AromaticContact CD2-CZ 3.83Å; Y17-F56 HydrophobicContact CD2-CZ 3.83Å; Y17-F56 HydrophobicContact CE2-CE1 4.48Å; Y17-F56 HydrophobicContact CE2-CZ 4.41Å; Y17-F56 HydrophobicContact CG-CE1 4.19Å; I43-F56 CarbonylContact C-O 3.59Å; I43-F56 WeakPolarHBondContact CA-O 3.32Å; D44-F56 HydrophobicContact CB-CB 4.34Å; D44-F56 PolarHBondContact N-O 3.41Å; D44-F56 PolarHBondContact O-N 2.97Å; F54-F56 HydrophobicContact CD2-CD2 4.44Å; F54-F56 AromaticContact CD2-CE2 3.84Å; F54-F56 HydrophobicContact CD2-CE2 3.84Å; F54-F56 HydrophobicContact CD2-CZ 4.3Å; F54-F56 AromaticContact CE2-CE2 3.71Å; F54-F56 HydrophobicContact CE2-CE2 3.71Å; F54-F56 HydrophobicContact CE2-CZ 4.25Å; F56-P87 HydrophobicContact CD1-CB 4.04Å; F56-P87 HydrophobicContact CE1-CB 3.86Å
57I87.3Confident76.7Confident0 Ų069.5 Ų69.50%035%0.353CS..EExtended strand (participates in β ladder)trans-116.1127.5179.3-53.3172.5000106.5R15 I16 V18 V30 F34 I40 I43 F59R15-I57 CarbonylContact C-O 3.57Å; R15-I57 VanDerWaalsContact CA-O 3.29Å; R15-I57 WeakPolarHBondContact CA-O 3.07Å; R15-I57 WeakPolarHBondContact CG-O 3.49Å; I16-I57 HydrophobicContact CD1-CB 4.19Å; I16-I57 HydrophobicContact CD1-CD1 4.05Å; I16-I57 HydrophobicContact CG1-CB 3.69Å; I16-I57 HydrophobicContact CG1-CD1 4.4Å; I16-I57 HydrophobicContact CG1-CG1 4.37Å; I16-I57 PolarHBondContact N-O 2.75Å; I16-I57 PolarHBondContact O-N 3.45Å; V18-I57 HydrophobicContact CG2-CD1 3.72Å; V18-I57 HydrophobicContact CG2-CG1 4.22Å; V30-I57 HydrophobicContact CG1-CD1 3.3Å; V30-I57 HydrophobicContact CG1-CG1 3.77Å; F34-I57 HydrophobicContact CB-CD1 3.96Å; F34-I57 HydrophobicContact CD1-CD1 4Å; F34-I57 HydrophobicContact CD2-CD1 3.28Å; F34-I57 HydrophobicContact CE1-CD1 4.32Å; F34-I57 HydrophobicContact CE2-CD1 3.67Å; F34-I57 HydrophobicContact CG-CD1 3.46Å; F34-I57 VanDerWaalsContact CG-CD1 3.46Å; F34-I57 HydrophobicContact CZ-CD1 4.17Å; I40-I57 HydrophobicContact CB-CG2 4.38Å; I40-I57 HydrophobicContact CD1-CG2 4.19Å; I40-I57 HydrophobicContact CG1-CG2 3.96Å; I40-I57 HydrophobicContact CG2-CG2 3.6Å; I43-I57 HydrophobicContact CG1-CG2 4.43Å; I43-I57 HydrophobicContact CG2-CG1 4.43Å; I57-F59 HydrophobicContact CB-CE2 4.47Å; I57-F59 HydrophobicContact CG2-CD2 4.3Å; I57-F59 HydrophobicContact CG2-CE2 3.95Å; I57-F59 HydrophobicContact CG2-CZ 4.05Å
58E84.5Confident76.9Confident26 Ų2664.5 Ų64.512%0.12133%0.326CS..EExtended strand (participates in β ladder)trans-102.5119.9171.6-171.2173.3160.300108R15 R41 D42R15-E58 HydrophobicContact CG-CB 4.39Å; R41-E58 WeakPolarHBondContact CA-O 3.37Å; R41-E58 HydrophobicContact CB-CB 4.47Å; R41-E58 HydrophobicContact CB-CG 4.37Å; R41-E58 WeakPolarHBondContact CB-O 3.5Å; R41-E58 PolarHBondContact N-O 2.81Å; R41-E58 IonicContact NE-OE1 2.84Å; D42-E58 HydrophobicContact CB-CB 4.31Å; D42-E58 PolarHBondContact N-O 3.3Å; D42-E58 PolarHBondContact O-N 3.25Å
59F82.9Confident77.5Confident2 Ų257.6 Ų57.61%0.00930%0.302CS..EExtended strand (participates in β ladder)trans-88.3162.2173.4-71.4-83.9000111.2C14 I16 F34 I40 I57 D64 A65 A68C14-F59 WeakPolarHBondContact CB-O 3.28Å; C14-F59 PolarHBondContact O-N 2.75Å; I16-F59 HydrophobicContact CD1-CE2 3.51Å; I16-F59 HydrophobicContact CD1-CZ 4.17Å; I16-F59 HydrophobicContact CG1-CD2 4.31Å; I16-F59 HydrophobicContact CG1-CE2 3.71Å; I16-F59 HydrophobicContact CG2-CD2 4.33Å; I16-F59 HydrophobicContact CG2-CE2 4.19Å; F34-F59 HydrophobicContact CB-CZ 4.11Å; F34-F59 HydrophobicContact CD1-CZ 4.14Å; I40-F59 HydrophobicContact CG1-CD1 4.09Å; I40-F59 HydrophobicContact CG1-CE1 3.74Å; I40-F59 HydrophobicContact CG1-CZ 4.46Å; I57-F59 HydrophobicContact CB-CE2 4.47Å; I57-F59 HydrophobicContact CG2-CD2 4.3Å; I57-F59 HydrophobicContact CG2-CE2 3.95Å; I57-F59 HydrophobicContact CG2-CZ 4.05Å; F59-D64 HydrophobicContact CB-CB 4.42Å; F59-D64 HydrophobicContact CD1-CB 4.16Å; F59-D64 HydrophobicContact CG-CB 4.37Å; F59-A65 HydrophobicContact CB-CB 4.27Å; F59-A65 HydrophobicContact CD2-CB 3.7Å; F59-A65 HydrophobicContact CE2-CB 4.44Å; F59-A65 HydrophobicContact CG-CB 4.31Å; F59-A68 HydrophobicContact CE2-CB 3.76Å; F59-A68 HydrophobicContact CZ-CB 3.66Å
60E78.6Confident78.4Confident124 Ų12453 Ų5358%0.57929%0.286SS*.SBendtrans-70.6-46.1170.4-168.8172.6-17300111.5T39T39-E60 WeakPolarHBondContact CB-OE2 3.49Å; T39-E60 PolarHBondContact O-N 3.4Å
61D75.1Confident78.9Confident59 Ų5951 Ų5132%0.31626%0.264SS..SBendtrans-105.4133.8179.3-161.3-50.1000111.4R63 D64 A65D61-R63 PolarHBondContact O-N 2.87Å; D61-R63 VanDerWaalsContact OD1-CB 3.22Å; D61-R63 WeakPolarHBondContact OD1-CB 3.43Å; D61-R63 VanDerWaalsContact OD1-CG 3.27Å; D61-R63 WeakPolarHBondContact OD1-CG 3.44Å; D61-R63 PolarHBondContact OD1-N 2.57Å; D61-D64 HydrophobicContact CB-CB 4.33Å; D61-D64 PolarHBondContact O-N 2.91Å; D61-A65 PolarHBondContact O-N 3.46Å
62P72.3Confident79.2Confident61 Ų6151.1 Ų51.140%0.39626%0.256SS..Hα-helixtrans-64.2-21.9173.227.4-36.3000113.9D13 C14 A65 D66D13-P62 HydrophobicContact CB-CB 4.31Å; C14-P62 VanDerWaalsContact SG-CD 3.51Å; P62-A65 WeakPolarHBondContact O-CB 3.48Å; P62-D66 PolarHBondContact O-N 3.27Å; P62-D66 VanDerWaalsContact O-N 3.14Å
63R75.2Confident79.4Confident188 Ų18850.8 Ų50.871%0.70925%0.25SC*.Hα-helixtrans-69.3-43.2174.8-63.5172179.4-175.11.8111D61 A65 D66 D67D61-R63 PolarHBondContact O-N 2.87Å; D61-R63 VanDerWaalsContact OD1-CB 3.22Å; D61-R63 WeakPolarHBondContact OD1-CB 3.43Å; D61-R63 VanDerWaalsContact OD1-CG 3.27Å; D61-R63 WeakPolarHBondContact OD1-CG 3.44Å; D61-R63 PolarHBondContact OD1-N 2.57Å; R63-A65 VanDerWaalsContact C-N 3.25Å; R63-A65 PolarHBondContact O-N 2.99Å; R63-D66 WeakPolarHBondContact O-CA 3.31Å; R63-D66 WeakPolarHBondContact O-CB 3.5Å; R63-D66 PolarHBondContact O-N 2.73Å; R63-D67 PolarHBondContact O-N 3.16Å
64D79.1Confident78.9Confident39 Ų3951.9 Ų51.921%0.20926%0.263CS..Hα-helixtrans-62.4-38.2176.5-59.4-2.5000110.7Y37 G38 F59 D61 D66 D67 A68Y37-D64 WeakPolarHBondContact O-CB 3.47Å; G38-D64 VanDerWaalsContact CA-OD2 3.3Å; G38-D64 WeakPolarHBondContact CA-OD2 3.37Å; F59-D64 HydrophobicContact CB-CB 4.42Å; F59-D64 HydrophobicContact CD1-CB 4.16Å; F59-D64 HydrophobicContact CG-CB 4.37Å; D61-D64 HydrophobicContact CB-CB 4.33Å; D61-D64 PolarHBondContact O-N 2.91Å; D64-D66 VanDerWaalsContact C-N 3.33Å; D64-D66 PolarHBondContact O-N 2.75Å; D64-D67 PolarHBondContact O-N 2.71Å; D64-A68 WeakPolarHBondContact O-CB 3.35Å; D64-A68 PolarHBondContact O-N 3.05Å
65A75.9Confident78.5Confident0 Ų054 Ų540%027%0.27CS..Hα-helixtrans-62.1-38.9173.100000112.5I16 F59 D61 P62 R63 V69 F86I16-A65 HydrophobicContact CG2-CB 3.76Å; I16-A65 WeakPolarHBondContact CG2-O 3.5Å; F59-A65 HydrophobicContact CB-CB 4.27Å; F59-A65 HydrophobicContact CD2-CB 3.7Å; F59-A65 HydrophobicContact CE2-CB 4.44Å; F59-A65 HydrophobicContact CG-CB 4.31Å; D61-A65 PolarHBondContact O-N 3.46Å; P62-A65 WeakPolarHBondContact O-CB 3.48Å; R63-A65 VanDerWaalsContact C-N 3.25Å; R63-A65 PolarHBondContact O-N 2.99Å; A65-V69 WeakPolarHBondContact O-CG2 3.04Å; A65-V69 PolarHBondContact O-N 2.8Å; A65-V69 VanDerWaalsContact O-N 3.08Å; A65-F86 HydrophobicContact CB-CE1 4.21Å
66D76.1Confident78Confident59 Ų5958.2 Ų58.232%0.31629%0.293SS..Hα-helixtrans-67.9-49.7176.4-160.8-109.1000111.3P62 R63 D64 A68 V69 Y70 F86P62-D66 PolarHBondContact O-N 3.27Å; P62-D66 VanDerWaalsContact O-N 3.14Å; R63-D66 WeakPolarHBondContact O-CA 3.31Å; R63-D66 WeakPolarHBondContact O-CB 3.5Å; R63-D66 PolarHBondContact O-N 2.73Å; D64-D66 VanDerWaalsContact C-N 3.33Å; D64-D66 PolarHBondContact O-N 2.75Å; D66-A68 VanDerWaalsContact C-N 3.27Å; D66-A68 PolarHBondContact O-N 2.65Å; D66-V69 PolarHBondContact O-N 2.84Å; D66-V69 VanDerWaalsContact O-N 3.07Å; D66-Y70 VanDerWaalsContact O-CD2 3.24Å; D66-Y70 WeakPolarHBondContact O-CD2 3.4Å; D66-Y70 PolarHBondContact O-N 3.23Å; D66-Y70 VanDerWaalsContact OD1-CD2 3.28Å; D66-Y70 WeakPolarHBondContact OD1-CD2 3.3Å; D66-Y70 WeakPolarHBondContact OD1-CE2 3.41Å; D66-Y70 WeakPolarHBondContact OD2-CE2 3.32Å; D66-F86 HydrophobicContact CB-CZ 4.16Å
67D76Confident77.2Confident94 Ų9459.3 Ų59.350%0.50330%0.296SS..Hα-helixtrans-60.8-36.4177.1-75.7-22000112Y37 R63 D64 G71Y37-D67 HydrophobicContact CD1-CB 4.33Å; R63-D67 PolarHBondContact O-N 3.16Å; D64-D67 PolarHBondContact O-N 2.71Å; D67-G71 WeakPolarHBondContact O-CA 3.47Å; D67-G71 PolarHBondContact O-N 3.36Å
68A79.6Confident76.3Confident0 Ų065.6 Ų65.60%033%0.33CS..Hα-helixtrans-65-42.4173.600000112.5I16 F34 Y37 F59 D64 D66 R72I16-A68 HydrophobicContact CD1-CB 4.13Å; F34-A68 HydrophobicContact CD1-CB 4.01Å; F34-A68 HydrophobicContact CE1-CB 4.3Å; Y37-A68 HydrophobicContact CD1-CB 4.45Å; Y37-A68 HydrophobicContact CD2-CB 4.16Å; Y37-A68 HydrophobicContact CG-CB 3.92Å; F59-A68 HydrophobicContact CE2-CB 3.76Å; F59-A68 HydrophobicContact CZ-CB 3.66Å; D64-A68 WeakPolarHBondContact O-CB 3.35Å; D64-A68 PolarHBondContact O-N 3.05Å; D66-A68 VanDerWaalsContact C-N 3.27Å; D66-A68 PolarHBondContact O-N 2.65Å; A68-R72 WeakPolarHBondContact O-CB 3.27Å; A68-R72 PolarHBondContact O-N 3.15Å
69V81.1Confident75.8Confident17 Ų1767.1 Ų67.110%0.10335%0.352CS..Hα-helixtrans-64.9-50.8176.5170.10000110.2I16 A65 D66 G71 D73 V84 F86I16-V69 HydrophobicContact CB-CG2 4.1Å; I16-V69 HydrophobicContact CG2-CG2 3.54Å; A65-V69 WeakPolarHBondContact O-CG2 3.04Å; A65-V69 PolarHBondContact O-N 2.8Å; A65-V69 VanDerWaalsContact O-N 3.08Å; D66-V69 PolarHBondContact O-N 2.84Å; D66-V69 VanDerWaalsContact O-N 3.07Å; V69-G71 VanDerWaalsContact C-N 3.33Å; V69-G71 PolarHBondContact O-N 3.31Å; V69-D73 VanDerWaalsContact O-CB 3.23Å; V69-D73 WeakPolarHBondContact O-CB 3.45Å; V69-D73 PolarHBondContact O-N 3.32Å; V69-V84 HydrophobicContact CB-CG1 4.28Å; V69-V84 HydrophobicContact CG2-CG1 3.81Å; V69-F86 HydrophobicContact CB-CE2 4.09Å; V69-F86 HydrophobicContact CB-CZ 4.44Å; V69-F86 HydrophobicContact CG1-CD2 4.33Å; V69-F86 HydrophobicContact CG1-CE2 4.08Å; V69-F86 HydrophobicContact CG2-CD2 4.1Å; V69-F86 HydrophobicContact CG2-CE1 4.34Å; V69-F86 HydrophobicContact CG2-CE2 3.82Å; V69-F86 HydrophobicContact CG2-CG 4.49Å; V69-F86 HydrophobicContact CG2-CZ 3.97Å
70Y76.9Confident75.5Confident153 Ų15371.4 Ų71.460%0.637%0.369SS*.Hα-helixtrans-66.6-34.5-179.6-80.9-75.5000113D66D66-Y70 VanDerWaalsContact O-CD2 3.24Å; D66-Y70 WeakPolarHBondContact O-CD2 3.4Å; D66-Y70 PolarHBondContact O-N 3.23Å; D66-Y70 VanDerWaalsContact OD1-CD2 3.28Å; D66-Y70 WeakPolarHBondContact OD1-CD2 3.3Å; D66-Y70 WeakPolarHBondContact OD1-CE2 3.41Å; D66-Y70 WeakPolarHBondContact OD2-CE2 3.32Å
71G73Confident75.6Confident39 Ų3971.4 Ų71.440%0.40236%0.364SS..Hα-helixtrans-87.2-21.7-175.600000115.2Y37 D67 V69Y37-G71 PolarHBondContact OH-O 3.18Å; D67-G71 WeakPolarHBondContact O-CA 3.47Å; D67-G71 PolarHBondContact O-N 3.36Å; V69-G71 VanDerWaalsContact C-N 3.33Å; V69-G71 PolarHBondContact O-N 3.31Å
72R73.4Confident76.1Confident32 Ų3268.8 Ų68.812%0.12135%0.35CS..Hα-helixtrans-120.3-7.6-178.4-76.8-46.1-162.5-171.516.2116.8V33 F34 Y37 A68 G74 Y75 V84V33-R72 HydrophobicContact CG1-CG 4.48Å; F34-R72 HydrophobicContact CE1-CB 3.93Å; F34-R72 HydrophobicContact CE1-CG 4.11Å; F34-R72 HydrophobicContact CZ-CB 4.15Å; F34-R72 HydrophobicContact CZ-CG 4.42Å; Y37-R72 HydrophobicContact CD2-CG 4.5Å; Y37-R72 HydrophobicContact CE2-CG 3.41Å; Y37-R72 VanDerWaalsContact CE2-CG 3.41Å; Y37-R72 WeakPolarHBondContact OH-CD 3.29Å; Y37-R72 WeakPolarHBondContact OH-CG 3.14Å; Y37-R72 PolarHBondContact OH-NE 3Å; A68-R72 WeakPolarHBondContact O-CB 3.27Å; A68-R72 PolarHBondContact O-N 3.15Å; R72-G74 PolarHBondContact O-N 3.26Å; R72-Y75 VanDerWaalsContact CZ-CD1 3.43Å; R72-Y75 VanDerWaalsContact CZ-CZ 3.42Å; R72-Y75 VanDerWaalsContact NH1-CZ 3.33Å; R72-Y75 PolarHBondContact NH2-OH 3.39Å; R72-Y75 WeakPolarHBondContact O-CB 3.48Å; R72-Y75 PolarHBondContact O-N 3.49Å; R72-Y75 VanDerWaalsContact O-N 3.09Å; R72-V84 HydrophobicContact CB-CG2 3.87Å
73D79.7Confident76.5Confident75 Ų7571.7 Ų71.740%0.40135%0.353SS..THydrogen-bonded Turntrans-61.9124.7170.2-170.253.7000110.7V69 V84V69-D73 VanDerWaalsContact O-CB 3.23Å; V69-D73 WeakPolarHBondContact O-CB 3.45Å; V69-D73 PolarHBondContact O-N 3.32Å; D73-V84 HydrophobicContact CB-CB 4.27Å; D73-V84 PolarHBondContact OD1-N 2.95Å
74G70.7Confident77Confident34 Ų3462.9 Ų62.935%0.35132%0.32SS..THydrogen-bonded Turntrans80.67.9-176.700000115.5R72 D76 L82R72-G74 PolarHBondContact O-N 3.26Å; G74-D76 PolarHBondContact O-N 2.89Å; G74-L82 WeakPolarHBondContact CA-O 3.44Å; G74-L82 PolarHBondContact N-O 3.18Å
75Y76.9Confident77.1Confident88 Ų8863.6 Ų63.635%0.34532%0.322SS..  trans-66.6128.4176.7-179.6-120000111.4R72 Y77 R81 L82R72-Y75 VanDerWaalsContact CZ-CD1 3.43Å; R72-Y75 VanDerWaalsContact CZ-CZ 3.42Å; R72-Y75 VanDerWaalsContact NH1-CZ 3.33Å; R72-Y75 PolarHBondContact NH2-OH 3.39Å; R72-Y75 WeakPolarHBondContact O-CB 3.48Å; R72-Y75 PolarHBondContact O-N 3.49Å; R72-Y75 VanDerWaalsContact O-N 3.09Å; Y75-Y77 AromaticContact CE1-CD2 3.94Å; Y75-Y77 HydrophobicContact CE1-CD2 3.94Å; Y75-Y77 HydrophobicContact CE1-CG 4.49Å; Y75-Y77 PolarHBondContact O-N 2.99Å; Y75-R81 WeakPolarHBondContact O-CA 3.36Å; Y75-L82 HydrophobicContact CD1-CD1 4.14Å; Y75-L82 PolarHBondContact O-N 3.02Å
76D75.6Confident77.4Confident88 Ų8865.8 Ų65.847%0.47133%0.332SS..EExtended strand (participates in β ladder)trans-79112173.2-161.7-96.5000109.4G74 G79G74-D76 PolarHBondContact O-N 2.89Å; D76-G79 WeakPolarHBondContact OD1-CA 3.4Å; D76-G79 PolarHBondContact OD1-N 2.91Å
77Y71.8Confident77.1Confident67 Ų6764 Ų6426%0.26332%0.323SS..EExtended strand (participates in β ladder)trans-119.6111.9173.9-173.2-98.5000108.5P22 I25 V33 Y75 G79 Y80P22-Y77 HydrophobicContact CG-CD1 3.99Å; P22-Y77 HydrophobicContact CG-CE1 4.3Å; I25-Y77 HydrophobicContact CD1-CD1 4.21Å; I25-Y77 HydrophobicContact CD1-CE1 3.74Å; V33-Y77 HydrophobicContact CG2-CD2 4.15Å; V33-Y77 HydrophobicContact CG2-CE2 3.83Å; Y75-Y77 AromaticContact CE1-CD2 3.94Å; Y75-Y77 HydrophobicContact CE1-CD2 3.94Å; Y75-Y77 HydrophobicContact CE1-CG 4.49Å; Y75-Y77 PolarHBondContact O-N 2.99Å; Y77-G79 PolarHBondContact O-N 3.38Å; Y77-Y80 PolarHBondContact N-O 2.97Å; Y77-Y80 WeakPolarHBondContact O-CB 3.42Å; Y77-Y80 PolarHBondContact O-N 3.49Å
78D68.6Low76.4Confident133 Ų13369.5 Ų69.571%0.71134%0.337SS*.THydrogen-bonded Turntrans57.933.8179.1-154.739.5000113.5Y80D78-Y80 VanDerWaalsContact C-N 3.27Å; D78-Y80 VanDerWaalsContact O-CD2 3.26Å; D78-Y80 WeakPolarHBondContact O-CD2 3.28Å; D78-Y80 PolarHBondContact O-N 3.1Å
79G73.9Confident74.8Confident58 Ų5872.8 Ų72.860%0.59836%0.36SS*.THydrogen-bonded Turntrans79.34.9-175.200000114.7D76 Y77D76-G79 WeakPolarHBondContact OD1-CA 3.4Å; D76-G79 PolarHBondContact OD1-N 2.91Å; Y77-G79 PolarHBondContact O-N 3.38Å
80Y76.9Confident73.3Confident91 Ų9175.8 Ų75.836%0.35739%0.394SS..EExtended strand (participates in β ladder)trans-105.8118.5173.5-63.5-93.3000110.2P22 Y77 D78 L82P22-Y80 HydrophobicContact CB-CD2 3.64Å; P22-Y80 HydrophobicContact CB-CE2 3.76Å; P22-Y80 HydrophobicContact CB-CG 4.13Å; P22-Y80 HydrophobicContact CG-CD2 4.17Å; Y77-Y80 PolarHBondContact N-O 2.97Å; Y77-Y80 WeakPolarHBondContact O-CB 3.42Å; Y77-Y80 PolarHBondContact O-N 3.49Å; D78-Y80 VanDerWaalsContact C-N 3.27Å; D78-Y80 VanDerWaalsContact O-CD2 3.26Å; D78-Y80 WeakPolarHBondContact O-CD2 3.28Å; D78-Y80 PolarHBondContact O-N 3.1Å; Y80-L82 PolarHBondContact O-N 2.71Å; Y80-L82 VanDerWaalsContact O-N 3.14Å
81R79.8Confident71.7Confident125 Ų12579.7 Ų79.747%0.47241%0.408SS..EExtended strand (participates in β ladder)trans-72.8104.9173.2-61.1-175.795.9-165.96109.7N20 Y75 D142N20-R81 WeakPolarHBondContact CB-O 3.1Å; N20-R81 PolarHBondContact ND2-O 3.26Å; Y75-R81 WeakPolarHBondContact O-CA 3.36Å; R81-D142 IonicContact CZ-OD1 2.87Å; R81-D142 IonicContact CZ-OD2 3.07Å; R81-D142 VanDerWaalsContact CZ-OD2 3.29Å; R81-D142 IonicContact NH1-OD1 3.49Å; R81-D142 PolarHBondContact NH1-OD1 3.43Å; R81-D142 IonicContact NH1-OD2 3.9Å; R81-D142 PolarHBondContact NH1-OD2 2.89Å; R81-D142 IonicContact NH2-OD1 3.59Å; R81-D142 IonicContact NH2-OD2 3.84Å; R81-D142 PolarHBondContact NH2-OD2 2.97Å
82L85Confident70.2Confident4 Ų481.1 Ų81.12%0.02142%0.422CS..  trans-64.6136.7177.7-56.4-170.9000109.9L21 V33 G74 Y75 Y80L21-L82 HydrophobicContact CD2-CD1 4.44Å; L21-L82 HydrophobicContact CD2-CD2 3.6Å; L21-L82 HydrophobicContact CG-CD2 4.4Å; V33-L82 HydrophobicContact CG1-CD1 4.43Å; G74-L82 WeakPolarHBondContact CA-O 3.44Å; G74-L82 PolarHBondContact N-O 3.18Å; Y75-L82 HydrophobicContact CD1-CD1 4.14Å; Y75-L82 PolarHBondContact O-N 3.02Å; Y80-L82 PolarHBondContact O-N 2.71Å; Y80-L82 VanDerWaalsContact O-N 3.14Å
83R81.2Confident68.9Low121 Ų12185.5 Ų85.546%0.45746%0.458SS..EExtended strand (participates in β ladder)trans-108.6115.5174.2178.3177.6170.6-161.5-2.2109V18 G19 E85V18-R83 CarbonylContact C-O 3.48Å; V18-R83 VanDerWaalsContact CA-O 3.28Å; V18-R83 WeakPolarHBondContact CA-O 3.13Å; G19-R83 PolarHBondContact N-O 2.83Å; G19-R83 PolarHBondContact O-N 3.47Å; R83-E85 IonicContact CZ-OE2 2.67Å; R83-E85 IonicContact NE-OE2 2.8Å; R83-E85 IonicContact NH2-OE2 3.37Å; R83-E85 PolarHBondContact NH2-OE2 3.35Å
84V86.2Confident67.3Low3 Ų394 Ų942%0.01848%0.484CS..EExtended strand (participates in β ladder)trans-113.9117.9-178.9-167.40000108.8I16 Y17 V18 F34 V69 R72 D73I16-V84 HydrophobicContact CB-CG1 4.3Å; I16-V84 HydrophobicContact CD1-CG1 3.65Å; I16-V84 HydrophobicContact CG1-CG1 4.48Å; Y17-V84 CarbonylContact O-C 3.5Å; Y17-V84 VanDerWaalsContact O-CA 3.28Å; Y17-V84 WeakPolarHBondContact O-CA 3.48Å; V18-V84 HydrophobicContact CG1-CG2 4.29Å; V18-V84 HydrophobicContact CG2-CG1 4.31Å; V18-V84 HydrophobicContact CG2-CG2 4.42Å; F34-V84 HydrophobicContact CE1-CG1 4.22Å; F34-V84 HydrophobicContact CE1-CG2 4.15Å; F34-V84 HydrophobicContact CZ-CG1 4.46Å; F34-V84 HydrophobicContact CZ-CG2 3.79Å; V69-V84 HydrophobicContact CB-CG1 4.28Å; V69-V84 HydrophobicContact CG2-CG1 3.81Å; R72-V84 HydrophobicContact CB-CG2 3.87Å; D73-V84 HydrophobicContact CB-CB 4.27Å; D73-V84 PolarHBondContact OD1-N 2.95Å
85E81.8Confident65.7Low54 Ų5496 Ų9625%0.25251%0.505SS..EExtended strand (participates in β ladder)trans-137.1155-178.5-169.9-179.6154.400109.5Y17 R83 R88Y17-E85 WeakPolarHBondContact CA-O 3.49Å; Y17-E85 VanDerWaalsContact CB-O 3.28Å; Y17-E85 WeakPolarHBondContact CB-O 3.44Å; Y17-E85 HydrophobicContact CD1-CB 4.34Å; Y17-E85 PolarHBondContact N-O 3.28Å; Y17-E85 PolarHBondContact O-N 3.12Å; R83-E85 IonicContact CZ-OE2 2.67Å; R83-E85 IonicContact NE-OE2 2.8Å; R83-E85 IonicContact NH2-OE2 3.37Å; R83-E85 PolarHBondContact NH2-OE2 3.35Å; E85-R88 IonicContact OE1-CZ 3.59Å; E85-R88 IonicContact OE1-NE 3.94Å; E85-R88 PolarHBondContact OE1-NE 3.44Å; E85-R88 IonicContact OE1-NH2 3.99Å
86F80.5Confident63.8Low46 Ų4695 Ų9520%0.20252%0.522CS..  trans-68132.3166.3-69.2-83.2000110.5I16 A65 D66 V69 R88I16-F86 HydrophobicContact CG2-CD1 4.44Å; I16-F86 HydrophobicContact CG2-CE1 4.33Å; A65-F86 HydrophobicContact CB-CE1 4.21Å; D66-F86 HydrophobicContact CB-CZ 4.16Å; V69-F86 HydrophobicContact CB-CE2 4.09Å; V69-F86 HydrophobicContact CB-CZ 4.44Å; V69-F86 HydrophobicContact CG1-CD2 4.33Å; V69-F86 HydrophobicContact CG1-CE2 4.08Å; V69-F86 HydrophobicContact CG2-CD2 4.1Å; V69-F86 HydrophobicContact CG2-CE1 4.34Å; V69-F86 HydrophobicContact CG2-CE2 3.82Å; V69-F86 HydrophobicContact CG2-CG 4.49Å; V69-F86 HydrophobicContact CG2-CZ 3.97Å; F86-R88 PolarHBondContact O-N 3.12Å
87P70Confident62.1Low21 Ų21102.5 Ų102.514%0.13655%0.546CS..  trans-61132.6177.925.6-29.5000109.3R15 F56 S89R15-P87 HydrophobicContact CB-CG 3.85Å; R15-P87 HydrophobicContact CG-CG 3.97Å; R15-P87 WeakPolarHBondContact O-CD 3.14Å; R15-P87 WeakPolarHBondContact O-CG 3.24Å; F56-P87 HydrophobicContact CD1-CB 4.04Å; F56-P87 HydrophobicContact CE1-CB 3.86Å; P87-S89 PolarHBondContact O-N 3.01Å
88R61Low60.4Low211 Ų211103.3 Ų103.380%0.79657%0.574SS**  trans-7369.2178.4-64.4-177.1-176.2-174.7-1.5111E85 F86E85-R88 IonicContact OE1-CZ 3.59Å; E85-R88 IonicContact OE1-NE 3.94Å; E85-R88 PolarHBondContact OE1-NE 3.44Å; E85-R88 IonicContact OE1-NH2 3.99Å; F86-R88 PolarHBondContact O-N 3.12Å
89S47.6Very low58.8Low68 Ų68100.9 Ų100.948%0.47658%0.58SS.*  trans-100.7115.1164.7-92.60000108.8N12 P87 R91N12-S89 WeakPolarHBondContact OD1-CB 3.5Å; P87-S89 PolarHBondContact O-N 3.01Å; S89-R91 PolarHBondContact O-N 2.98Å
90G49.3Very low57.4Low81 Ų81106.8 Ų106.884%0.83560%0.596SS**  trans-66116.8-179.800000112.9
91R43.3Very low55.3Low235 Ų235105.9 Ų105.989%0.88761%0.614SS**  trans-161.4126.2141-122.6-177.2-170.9-171.43.5108.9S89S89-R91 PolarHBondContact O-N 2.98Å
92G41.8Very low53.6Low68 Ų68103.8 Ų103.870%0.70163%0.632SS**  trans-77.2169.9173.600000113.5
93S45.2Very low51.5Low124 Ų124108.1 Ų108.187%0.86767%0.669SS**  trans88.3117.8171.6-55.20000114.1
94R45.2Very low50Low253 Ų253108 Ų10896%0.95568%0.684SS**SBend-171132.450.9-166.8177.4-170.3178.80.5108.2
95G37.6Very low48.2Very low77 Ų77120.1 Ų120.179%0.79473%0.729SS**SBendcis-164.2175.411.900000110.2
96G37.3Very low46.1Very low68 Ų68121 Ų12170%0.70175%0.753SS**  cis-157.6167.417.600000114.3
97Y40.3Very low44.5Very low245 Ų245131 Ų13196%0.96179%0.789SS**  trans55.898.9161.8-77.5-92.4000119.5
98G35.5Very low43.2Very low83 Ų83140.6 Ų140.686%0.85682%0.824SS**  trans139.1118.2133.100000117
99G36.3Very low42.3Very low82 Ų82133.5 Ų133.585%0.84582%0.816SS**  trans114103.6135.800000118.2
100I43Very low42.3Very low183 Ų183133.9 Ų133.994%0.93882%0.817SS**  trans-55.2139.1165.1-69.2164.7000112.4
101G32.8Very low42Very low71 Ų71134.6 Ų134.673%0.73281%0.807SS**  trans153.195.3152.600000115.4
102G44.1Very low42.2Very low82 Ų82129.4 Ų129.485%0.84581%0.807SS**  trans-78.6141.4165.300000112.3
103A41Very low42.6Very low95 Ų95134.4 Ų134.479%0.78580%0.804SS**  trans178.3171.313800000109
104P50Low42.9Very low119 Ų119137.9 Ų137.977%0.77380%0.798SS**  -120.3170.2-94.529.6-9000113.5
105R48.6Very low43.3Very low257 Ų257127.4 Ų127.497%0.9776%0.764SS**  trans31.3106.8158.5-85.4-175.7168.4175.4-3117.8
106G37.2Very low44.6Very low73 Ų73132.2 Ų132.275%0.75377%0.766SS**  trans-16396.8163.400000111.9Y108G106-Y108 VanDerWaalsContact C-N 3.26Å; G106-Y108 PolarHBondContact O-N 2.79Å
107R48.2Very low46.7Very low255 Ų255133 Ų13396%0.96275%0.748SS**SBendtrans-78.547.4-171.1-166.2-175-169.8-129.32.2113.4
108Y42Very low48.8Very low223 Ų223123.9 Ų123.988%0.87571%0.712SS**  trans-175.486.5169.2-140.5-107.2000108.6G106G106-Y108 VanDerWaalsContact C-N 3.26Å; G106-Y108 PolarHBondContact O-N 2.79Å
109G42.3Very low51.3Low61 Ų61119.9 Ų119.963%0.62967%0.671SS**  trans-129.8129.217500000108.2
110P46.7Very low53.9Low76 Ų76117.9 Ų117.949%0.49464%0.643SS.*  trans-58.4144.2178.724.1-31.4000109.9S112 Y145P110-S112 PolarHBondContact O-N 2.92Å; P110-Y145 HydrophobicContact CB-CD2 3.64Å; P110-Y145 HydrophobicContact CB-CE2 3.69Å; P110-Y145 HydrophobicContact CG-CD2 4.26Å; P110-Y145 HydrophobicContact CG-CE2 3.79Å
111P43.2Very low56.1Low97 Ų97109.2 Ų109.263%0.6360%0.598SS**  trans-56.1135-174.521.3-30.5000110.8R113P111-R113 PolarHBondContact O-N 2.87Å
112S47.6Very low58.8Low125 Ų125107.6 Ų107.687%0.87458%0.575SS**SBendtrans-70.712.8-172.9-48.80000115.3P110P110-S112 PolarHBondContact O-N 2.92Å
113R50.6Low60.8Low174 Ų174105.6 Ų105.666%0.65756%0.555SS**  trans-100.182.8164.5-66.7-170.6-175.5-129.85106.6P111 S115P111-R113 PolarHBondContact O-N 2.87Å; R113-S115 PolarHBondContact O-N 2.8Å
114R52.2Low63Low196 Ų196101.7 Ų101.774%0.7452%0.521SS*.  trans-60104.6167-69.7-164177.8-162.5-3.3106.5E116R114-E116 PolarHBondContact O-N 3.26Å
115S53.4Low64.6Low34 Ų3496.7 Ų96.724%0.23849%0.489CS..  trans-58.8126.7162.8-66.50000106.2R113 Y117 F158R113-S115 PolarHBondContact O-N 2.8Å; S115-Y117 PolarHBondContact O-N 2.76Å; S115-F158 WeakPolarHBondContact CB-O 3.23Å
116E64.8Low66.1Low178 Ų17893.5 Ų93.583%0.83249%0.485SS*.SBendtrans-67.5-0.3179.6-61.6-179.2102.500112.3R114 R118R114-E116 PolarHBondContact O-N 3.26Å; E116-R118 VanDerWaalsContact C-N 3.32Å; E116-R118 PolarHBondContact O-N 2.67Å; E116-R118 VanDerWaalsContact O-N 3.12Å
117Y82Confident68.3Low84 Ų8490.7 Ų90.733%0.32945%0.454SS..  trans-87.964.2-177.4-44.3-49.4000111.8S115 F158 V159 K161 M164S115-Y117 PolarHBondContact O-N 2.76Å; Y117-F158 PolarHBondContact O-N 3.11Å; Y117-V159 WeakPolarHBondContact CD2-O 2.98Å; Y117-K161 HydrophobicContact CD1-CB 3.62Å; Y117-K161 HydrophobicContact CD1-CG 3.88Å; Y117-K161 HydrophobicContact CE1-CB 3.52Å; Y117-K161 HydrophobicContact CE1-CD 4.18Å; Y117-K161 HydrophobicContact CE1-CG 3.89Å; Y117-K161 HydrophobicContact CE2-CB 4.42Å; Y117-K161 HydrophobicContact CG-CB 4.13Å; Y117-M164 WeakPolarHBondContact CA-SD 3.3Å
118R83.8Confident69.7Low53 Ų5379 Ų7920%0.241%0.412CS..EExtended strand (participates in β ladder)trans-101.8139.1-177.1-173.4171.6175.4-128.17112E116 V156 E157 D191E116-R118 VanDerWaalsContact C-N 3.32Å; E116-R118 PolarHBondContact O-N 2.67Å; E116-R118 VanDerWaalsContact O-N 3.12Å; R118-V156 CarbonylContact C-O 3.51Å; R118-V156 WeakPolarHBondContact CA-O 3.08Å; R118-E157 HydrophobicContact CB-CG 4Å; R118-E157 HydrophobicContact CG-CG 3.88Å; R118-D191 HydrophobicContact CB-CB 4.06Å; R118-D191 WeakPolarHBondContact CD-OD2 3.39Å; R118-D191 HydrophobicContact CG-CB 3.96Å; R118-D191 IonicContact CZ-OD2 3.85Å; R118-D191 IonicContact NE-OD2 3.29Å; R118-D191 IonicContact NH1-OD1 2.67Å; R118-D191 IonicContact NH1-OD2 3.82Å; R118-D191 PolarHBondContact NH1-OD2 2.77Å; R118-D191 WeakPolarHBondContact O-CB 3.44Å; R118-D191 PolarHBondContact O-N 2.65Å
119V88.6Confident71.7Confident0 Ų069.8 Ų69.80%038%0.381CS..EExtended strand (participates in β ladder)trans-119.3147.6169.7-54.70000110.1V121 M137 V155 V156 F158 M164 V168 V188 K189V119-V121 HydrophobicContact CG2-CG2 4.33Å; V119-M137 HydrophobicContact CG2-CE 3.52Å; V119-V155 WeakPolarHBondContact O-CA 3.49Å; V119-V156 HydrophobicContact CG2-CB 3.72Å; V119-V156 HydrophobicContact CG2-CG1 4.48Å; V119-V156 PolarHBondContact N-O 3.23Å; V119-V156 PolarHBondContact O-N 3.48Å; V119-F158 HydrophobicContact CG1-CD2 4.43Å; V119-F158 HydrophobicContact CG1-CE2 4.11Å; V119-F158 HydrophobicContact CG2-CD2 4.48Å; V119-F158 HydrophobicContact CG2-CE2 3.75Å; V119-M164 HydrophobicContact CG1-CG 3.46Å; V119-M164 VanDerWaalsContact CG1-CG 3.46Å; V119-V168 HydrophobicContact CG1-CG2 3.71Å; V119-V188 HydrophobicContact CB-CG1 3.91Å; V119-V188 HydrophobicContact CG1-CG1 4.29Å; V119-V188 HydrophobicContact CG2-CG1 3.89Å; V119-K189 CarbonylContact C-O 3.56Å; V119-K189 VanDerWaalsContact CA-O 3.31Å; V119-K189 WeakPolarHBondContact CA-O 3.24Å; V119-K189 WeakPolarHBondContact CB-O 3.15Å
120V89.7Confident73.8Confident40 Ų4072.7 Ų72.724%0.24237%0.373CS..EExtended strand (participates in β ladder)trans-102.5125.7170.3177.60000107.7G154 V155 K189 D191V120-G154 CarbonylContact C-O 3.55Å; V120-G154 WeakPolarHBondContact CA-O 3.46Å; V120-V155 HydrophobicContact CG2-CG1 4.21Å; V120-K189 PolarHBondContact N-O 2.91Å; V120-K189 PolarHBondContact O-N 3.1Å; V120-D191 HydrophobicContact CG2-CB 3.83Å
121V89.3Confident75.7Confident0 Ų074.3 Ų74.30%037%0.374CS..EExtended strand (participates in β ladder)trans-101.9136.4175.2-173.60000108.2V119 L124 L133 M137 T153 G154 V156 I186 R187 V188V119-V121 HydrophobicContact CG2-CG2 4.33Å; V121-L124 HydrophobicContact CG1-CD1 4.33Å; V121-L124 HydrophobicContact CG1-CD2 4.1Å; V121-L124 HydrophobicContact CG1-CG 4.15Å; V121-L133 HydrophobicContact CB-CD1 4.21Å; V121-L133 HydrophobicContact CG1-CD1 3.99Å; V121-L133 HydrophobicContact CG2-CD1 4.09Å; V121-M137 HydrophobicContact CG2-CE 3.88Å; V121-M137 HydrophobicContact CG2-SD 4.31Å; V121-T153 CarbonylContact O-C 3.57Å; V121-T153 VanDerWaalsContact O-CA 3.3Å; V121-T153 WeakPolarHBondContact O-CA 3.26Å; V121-G154 PolarHBondContact N-O 2.74Å; V121-G154 PolarHBondContact O-N 3.27Å; V121-G154 VanDerWaalsContact O-O 3.12Å; V121-V156 HydrophobicContact CG2-CG2 3.98Å; V121-I186 HydrophobicContact CG1-CB 3.85Å; V121-I186 HydrophobicContact CG1-CD1 4.03Å; V121-I186 HydrophobicContact CG1-CG2 4.14Å; V121-R187 CarbonylContact C-O 3.52Å; V121-R187 VanDerWaalsContact CA-O 3.29Å; V121-R187 WeakPolarHBondContact CA-O 3.44Å; V121-V188 HydrophobicContact CG2-CG1 4.47Å; V121-V188 HydrophobicContact CG2-CG2 4.27Å
122S90.4Very high77.8Confident37 Ų3771 Ų7126%0.25935%0.35SS..EExtended strand (participates in β ladder)trans-135.9154.2179.452.80000110.3I186 R187S122-I186 CarbonylContact O-C 3.54Å; S122-I186 WeakPolarHBondContact O-CA 3.34Å; S122-R187 PolarHBondContact N-O 2.79Å; S122-R187 PolarHBondContact O-N 2.83Å; S122-R187 PolarHBondContact OG-O 2.81Å
123G85.9Confident79.7Confident41 Ų4165 Ų6542%0.42331%0.309SS..  trans84.425.5-176.100000113.3G152 A184G123-G152 PolarHBondContact N-O 3.29Å; G123-G152 VanDerWaalsContact N-O 3.11Å; G123-A184 VanDerWaalsContact O-CB 3.32Å; G123-A184 WeakPolarHBondContact O-CB 3.21Å
124L86.1Confident81.5Confident12 Ų1259.9 Ų59.96%0.06329%0.291CS..  trans-72.3143172.7-66.5166000110.2V121 L133 V148 G152 F176 I186V121-L124 HydrophobicContact CG1-CD1 4.33Å; V121-L124 HydrophobicContact CG1-CD2 4.1Å; V121-L124 HydrophobicContact CG1-CG 4.15Å; L124-L133 HydrophobicContact CD1-CD1 4.47Å; L124-L133 HydrophobicContact CD1-CD2 4.04Å; L124-L133 HydrophobicContact CD2-CD1 4.01Å; L124-V148 HydrophobicContact CD1-CB 4.46Å; L124-V148 HydrophobicContact CD1-CG1 3.84Å; L124-V148 HydrophobicContact CD1-CG2 3.84Å; L124-G152 PolarHBondContact N-O 3.41Å; L124-F176 HydrophobicContact CD2-CD1 4.07Å; L124-F176 HydrophobicContact CD2-CD2 4.22Å; L124-F176 HydrophobicContact CD2-CE1 4.01Å; L124-F176 HydrophobicContact CD2-CE2 4.19Å; L124-F176 HydrophobicContact CD2-CG 4.13Å; L124-F176 HydrophobicContact CD2-CZ 4.04Å; L124-I186 HydrophobicContact CD2-CG2 3.53Å; L124-I186 HydrophobicContact CG-CG2 4.23Å
125P84.4Confident83.1Confident15 Ų1554.6 Ų54.610%0.09728%0.278CS..  trans-64.1154.2172.228.7-31.4000109.9S127 G128 F176 E182 A184P125-S127 PolarHBondContact O-N 3.27Å; P125-G128 WeakPolarHBondContact O-CA 3.37Å; P125-G128 PolarHBondContact O-N 3.21Å; P125-F176 HydrophobicContact CG-CD1 3.62Å; P125-F176 HydrophobicContact CG-CE1 3.64Å; P125-E182 HydrophobicContact CB-CB 4.05Å; P125-A184 HydrophobicContact CB-CB 4.32Å; P125-A184 HydrophobicContact CG-CB 4.43Å
126Q79.8Confident84.7Confident189 Ų18954.7 Ų54.788%0.88327%0.274SS*.THydrogen-bonded Turntrans-63.4-28.6179.7-79.2-175.9-11.800112.6G128Q126-G128 VanDerWaalsContact C-N 3.26Å
127S82.5Confident85.8Confident15 Ų1546.2 Ų46.211%0.10524%0.235CC..THydrogen-bonded Turntrans-77.9-6.8171.860.90000113.9P125 S129 S178 H179 E180 E182P125-S127 PolarHBondContact O-N 3.27Å; S127-S129 PolarHBondContact O-N 3.41Å; S127-S178 VanDerWaalsContact OG-CB 3.28Å; S127-S178 WeakPolarHBondContact OG-CB 3.29Å; S127-S178 PolarHBondContact OG-OG 3.35Å; S127-H179 PolarHBondContact O-CE1 3.03Å; S127-E180 WeakPolarHBondContact CB-OE2 3.25Å; S127-E182 WeakPolarHBondContact CB-OE2 3.28Å; S127-E182 WeakPolarHBondContact OG-CB 2.85Å; S127-E182 WeakPolarHBondContact OG-CG 3.37Å; S127-E182 PolarHBondContact OG-OE2 2.73Å
128G77.8Confident86Confident9 Ų950 Ų509%0.09325%0.248CC..  trans-66.4118-176.700000111.5P125 Q126 V148P125-G128 WeakPolarHBondContact O-CA 3.37Å; P125-G128 PolarHBondContact O-N 3.21Å; Q126-G128 VanDerWaalsContact C-N 3.26Å; G128-V148 WeakPolarHBondContact O-CG1 3.25Å
129S85.6Confident86.1Confident30 Ų3053.5 Ų53.521%0.2127%0.267CS..  trans-91.6158.5176.374.90000111.6S127 Q131 D132 L133S127-S129 PolarHBondContact O-N 3.41Å; S129-Q131 PolarHBondContact O-N 2.67Å; S129-Q131 PolarHBondContact OG-N 3.09Å; S129-D132 WeakPolarHBondContact CB-OD2 3.26Å; S129-D132 PolarHBondContact N-OD2 3.48Å; S129-D132 PolarHBondContact O-N 3.07Å; S129-D132 PolarHBondContact OG-N 2.87Å; S129-D132 VanDerWaalsContact OG-N 3.12Å; S129-D132 PolarHBondContact OG-OD2 3.36Å; S129-L133 PolarHBondContact O-N 2.8Å
130W85.5Confident85.8Confident122 Ų12253.9 Ų53.946%0.46227%0.271SS..Hα-helixtrans-60.9-24.7172.167.9-95.4000112.6K134 V148W130-K134 HydrophobicContact CZ3-CD 4.35Å; W130-K134 VanDerWaalsContact O-CB 3.25Å; W130-K134 WeakPolarHBondContact O-CB 3.4Å; W130-K134 PolarHBondContact O-N 3.28Å; W130-V148 HydrophobicContact CB-CB 4.41Å; W130-V148 HydrophobicContact CB-CG2 4.07Å
131Q86.2Confident85.7Confident109 Ų10952.8 Ų52.851%0.50927%0.267SS..Hα-helixtrans-72.8-48.5176.8-177.2175.5-700110.7S129 L133 K134 D135S129-Q131 PolarHBondContact O-N 2.67Å; S129-Q131 PolarHBondContact OG-N 3.09Å; Q131-L133 VanDerWaalsContact C-N 3.26Å; Q131-L133 PolarHBondContact O-N 3.22Å; Q131-K134 WeakPolarHBondContact O-CB 3.46Å; Q131-K134 PolarHBondContact O-N 2.98Å; Q131-K134 VanDerWaalsContact O-N 3.1Å; Q131-D135 PolarHBondContact O-N 3.48Å
132D88.1Confident85.4Confident27 Ų2755.6 Ų55.614%0.14428%0.282CS..Hα-helixtrans-57.8-43.4173.9-60.1-42.6000110.2S129 K134 D135 H136 F176 H179S129-D132 WeakPolarHBondContact CB-OD2 3.26Å; S129-D132 PolarHBondContact N-OD2 3.48Å; S129-D132 PolarHBondContact O-N 3.07Å; S129-D132 PolarHBondContact OG-N 2.87Å; S129-D132 VanDerWaalsContact OG-N 3.12Å; S129-D132 PolarHBondContact OG-OD2 3.36Å; D132-K134 PolarHBondContact O-N 3.27Å; D132-D135 PolarHBondContact O-N 3.22Å; D132-H136 WeakPolarHBondContact O-CB 3.34Å; D132-H136 PolarHBondContact O-N 2.91Å; D132-F176 HydrophobicContact CB-CE1 4.37Å; D132-F176 HydrophobicContact CB-CE2 4.05Å; D132-F176 HydrophobicContact CB-CZ 3.47Å; D132-F176 VanDerWaalsContact CB-CZ 3.47Å; D132-F176 WeakPolarHBondContact O-CE2 3.5Å; D132-H179 PolarHBondContact OD1-N 3.03Å; D132-H179 IonicContact OD2-CG 2.67Å; D132-H179 PolarHBondContact OD2-N 3.31Å; D132-H179 IonicContact OD2-ND1 3.58Å; D132-H179 PolarHBondContact OD2-ND1 3.01Å
133L87.5Confident85.1Confident0 Ų054.4 Ų54.40%027%0.274CS..Hα-helixtrans-60-45.3174.8179.959.6000112V121 L124 S129 Q131 H136 M137 V148 V156 F176V121-L133 HydrophobicContact CB-CD1 4.21Å; V121-L133 HydrophobicContact CG1-CD1 3.99Å; V121-L133 HydrophobicContact CG2-CD1 4.09Å; L124-L133 HydrophobicContact CD1-CD1 4.47Å; L124-L133 HydrophobicContact CD1-CD2 4.04Å; L124-L133 HydrophobicContact CD2-CD1 4.01Å; S129-L133 PolarHBondContact O-N 2.8Å; Q131-L133 VanDerWaalsContact C-N 3.26Å; Q131-L133 PolarHBondContact O-N 3.22Å; L133-H136 PolarHBondContact O-N 3.45Å; L133-M137 HydrophobicContact CD1-CG 3.77Å; L133-M137 HydrophobicContact CG-CG 4.32Å; L133-M137 VanDerWaalsContact O-CB 3.27Å; L133-M137 WeakPolarHBondContact O-CB 3.32Å; L133-M137 WeakPolarHBondContact O-CG 3.37Å; L133-M137 PolarHBondContact O-N 2.93Å; L133-V148 HydrophobicContact CB-CG2 3.87Å; L133-V148 HydrophobicContact CD2-CG2 3.43Å; L133-V148 VanDerWaalsContact CD2-CG2 3.43Å; L133-V148 HydrophobicContact CG-CG2 4.29Å; L133-V156 HydrophobicContact CD1-CG2 4.15Å; L133-V156 HydrophobicContact CD2-CG2 3.58Å; L133-V156 HydrophobicContact CG-CG2 3.74Å; L133-F176 HydrophobicContact CB-CE2 4.41Å
134K87.2Confident85Confident67 Ų6755 Ų5529%0.29127%0.27SS..Hα-helixtrans-63.3-43.9179-176.1171.6-176.7172.20111.7W130 Q131 D132 M137 R138 V143 A146W130-K134 HydrophobicContact CZ3-CD 4.35Å; W130-K134 VanDerWaalsContact O-CB 3.25Å; W130-K134 WeakPolarHBondContact O-CB 3.4Å; W130-K134 PolarHBondContact O-N 3.28Å; Q131-K134 WeakPolarHBondContact O-CB 3.46Å; Q131-K134 PolarHBondContact O-N 2.98Å; Q131-K134 VanDerWaalsContact O-N 3.1Å; D132-K134 PolarHBondContact O-N 3.27Å; K134-M137 PolarHBondContact O-N 3.37Å; K134-R138 PolarHBondContact O-N 3.49Å; K134-V143 HydrophobicContact CD-CG1 4.45Å; K134-V143 VanDerWaalsContact CE-O 3.26Å; K134-V143 WeakPolarHBondContact CE-O 3.43Å; K134-V143 HydrophobicContact CG-CB 4.09Å; K134-V143 HydrophobicContact CG-CG1 3.94Å; K134-V143 PolarHBondContact NZ-O 3.06Å; K134-A146 HydrophobicContact CB-CB 3.96Å; K134-A146 HydrophobicContact CG-CB 4.48Å
135D87.4Confident84.7Confident85 Ų8557.2 Ų57.246%0.45528%0.278SS..Hα-helixtrans-67.1-41.2-179.8-74.1-21.6000111.5Q131 D132 R138Q131-D135 PolarHBondContact O-N 3.48Å; D132-D135 PolarHBondContact O-N 3.22Å; D135-R138 VanDerWaalsContact O-CB 3.32Å; D135-R138 WeakPolarHBondContact O-CB 3.37Å; D135-R138 PolarHBondContact O-N 3.22Å
136H86.9Confident84.8Confident35 Ų3557 Ų5716%0.16228%0.278CS..Hα-helixtrans-63.1-41.4174-168.589.8000112.2D132 L133 R138 E139 T174 K175 F176D132-H136 WeakPolarHBondContact O-CB 3.34Å; D132-H136 PolarHBondContact O-N 2.91Å; L133-H136 PolarHBondContact O-N 3.45Å; H136-R138 VanDerWaalsContact C-N 3.26Å; H136-R138 PolarHBondContact O-N 2.9Å; H136-E139 WeakPolarHBondContact O-CB 3.36Å; H136-E139 PolarHBondContact O-N 2.77Å; H136-T174 PolarHBondContact NE2-OG1 2.91Å; H136-K175 PolarHBondContact CE1-O 3.14Å; H136-F176 HydrophobicContact CB-CD2 3.84Å; H136-F176 HydrophobicContact CB-CE2 3.93Å; H136-F176 AromaticContact CG-CD2 3.75Å; H136-F176 AromaticContact ND1-CD2 3.97Å
137M86.6Confident85Confident0 Ų050.2 Ų50.20%025%0.247CC..Hα-helixtrans-77.9-13.1-178.5-64.9-72.5-76.400113.2V119 V121 L133 K134 E139 A140 V143 V156 F158 A167 L171 V188V119-M137 HydrophobicContact CG2-CE 3.52Å; V121-M137 HydrophobicContact CG2-CE 3.88Å; V121-M137 HydrophobicContact CG2-SD 4.31Å; L133-M137 HydrophobicContact CD1-CG 3.77Å; L133-M137 HydrophobicContact CG-CG 4.32Å; L133-M137 VanDerWaalsContact O-CB 3.27Å; L133-M137 WeakPolarHBondContact O-CB 3.32Å; L133-M137 WeakPolarHBondContact O-CG 3.37Å; L133-M137 PolarHBondContact O-N 2.93Å; K134-M137 PolarHBondContact O-N 3.37Å; M137-E139 PolarHBondContact O-N 3.5Å; M137-A140 PolarHBondContact O-N 2.92Å; M137-A140 VanDerWaalsContact O-N 3.1Å; M137-V143 HydrophobicContact CB-CG2 3.86Å; M137-V156 HydrophobicContact CB-CG1 4.06Å; M137-V156 HydrophobicContact CE-CB 4.05Å; M137-V156 HydrophobicContact CE-CG1 4.1Å; M137-V156 HydrophobicContact CE-CG2 4.11Å; M137-V156 HydrophobicContact CG-CG1 4.32Å; M137-V156 HydrophobicContact CG-CG2 4.09Å; M137-F158 HydrophobicContact CB-CZ 4.35Å; M137-F158 HydrophobicContact CE-CE2 3.97Å; M137-F158 HydrophobicContact CE-CZ 3.73Å; M137-A167 HydrophobicContact CE-CB 4.18Å; M137-L171 HydrophobicContact SD-CB 4.37Å; M137-L171 HydrophobicContact SD-CD1 3.58Å; M137-L171 VanDerWaalsContact SD-CD1 3.58Å; M137-V188 HydrophobicContact CE-CG1 3.95Å; M137-V188 HydrophobicContact CE-CG2 4.35Å; M137-V188 HydrophobicContact SD-CG2 4.24Å
138R86.6Confident85.3Confident164 Ų16451 Ų5162%0.61925%0.251SS*.THydrogen-bonded Turntrans-65.9-20172.6-133.5175.295.3-163.68.7113.2K134 D135 H136 A140 G141K134-R138 PolarHBondContact O-N 3.49Å; D135-R138 VanDerWaalsContact O-CB 3.32Å; D135-R138 WeakPolarHBondContact O-CB 3.37Å; D135-R138 PolarHBondContact O-N 3.22Å; H136-R138 VanDerWaalsContact C-N 3.26Å; H136-R138 PolarHBondContact O-N 2.9Å; R138-A140 PolarHBondContact O-N 2.83Å; R138-G141 WeakPolarHBondContact CA-O 3.5Å; R138-G141 PolarHBondContact O-N 2.82Å
139E85.3Confident85.6Confident126 Ų12655 Ų5559%0.58926%0.264SS*.THydrogen-bonded Turntrans-61.2-27.4171.5-174177.1141.300112H136 M137 L171H136-E139 WeakPolarHBondContact O-CB 3.36Å; H136-E139 PolarHBondContact O-N 2.77Å; M137-E139 PolarHBondContact O-N 3.5Å; E139-L171 HydrophobicContact CB-CD2 4.11Å; E139-L171 HydrophobicContact CG-CD2 4.2Å
140A84.1Confident85.2Confident9 Ų965.6 Ų65.67%0.07430%0.3CS..THydrogen-bonded Turntrans-93.3-20.7178.200000115.1M137 R138 F158 Y166 A167 L171M137-A140 PolarHBondContact O-N 2.92Å; M137-A140 VanDerWaalsContact O-N 3.1Å; R138-A140 PolarHBondContact O-N 2.83Å; A140-F158 HydrophobicContact CB-CE1 4.29Å; A140-F158 HydrophobicContact CB-CZ 4.36Å; A140-Y166 HydrophobicContact CB-CD1 3.82Å; A140-Y166 HydrophobicContact CB-CE1 4.46Å; A140-A167 VanDerWaalsContact CB-CA 3.46Å; A140-A167 HydrophobicContact CB-CB 3.45Å; A140-A167 VanDerWaalsContact CB-CB 3.45Å; A140-L171 HydrophobicContact CB-CD1 3.42Å; A140-L171 VanDerWaalsContact CB-CD1 3.42Å; A140-L171 HydrophobicContact CB-CG 4.03Å
141G85.6Confident85.1Confident17 Ų1765.2 Ų65.218%0.17531%0.307CS..SBendtrans156.1-167.8178.700000114.1R138 V143R138-G141 WeakPolarHBondContact CA-O 3.5Å; R138-G141 PolarHBondContact O-N 2.82Å; G141-V143 PolarHBondContact O-N 2.8Å
142D83.4Confident84.7Confident58 Ų5860.6 Ų60.631%0.3129%0.289SS..  trans-79.7110.8-174.7-73.2-60.5000111.4R81 V159 D163R81-D142 IonicContact CZ-OD1 2.87Å; R81-D142 IonicContact CZ-OD2 3.07Å; R81-D142 VanDerWaalsContact CZ-OD2 3.29Å; R81-D142 IonicContact NH1-OD1 3.49Å; R81-D142 PolarHBondContact NH1-OD1 3.43Å; R81-D142 IonicContact NH1-OD2 3.9Å; R81-D142 PolarHBondContact NH1-OD2 2.89Å; R81-D142 IonicContact NH2-OD1 3.59Å; R81-D142 IonicContact NH2-OD2 3.84Å; R81-D142 PolarHBondContact NH2-OD2 2.97Å; D142-V159 HydrophobicContact CB-CG2 4.11Å; D142-V159 WeakPolarHBondContact O-CG2 3.2Å; D142-V159 PolarHBondContact O-N 3.28Å; D142-D163 PolarHBondContact N-OD2 2.89Å
143V85.4Confident84.7Confident13 Ų1361.1 Ų61.18%0.07929%0.293CS..EExtended strand (participates in β ladder)trans-87114178.51780000110.4K134 M137 G141 Y145 A146 V156 F158K134-V143 HydrophobicContact CD-CG1 4.45Å; K134-V143 VanDerWaalsContact CE-O 3.26Å; K134-V143 WeakPolarHBondContact CE-O 3.43Å; K134-V143 HydrophobicContact CG-CB 4.09Å; K134-V143 HydrophobicContact CG-CG1 3.94Å; K134-V143 PolarHBondContact NZ-O 3.06Å; M137-V143 HydrophobicContact CB-CG2 3.86Å; G141-V143 PolarHBondContact O-N 2.8Å; V143-Y145 VanDerWaalsContact CG1-O 3.25Å; V143-Y145 WeakPolarHBondContact CG1-O 3.37Å; V143-A146 HydrophobicContact CG1-CB 4.14Å; V143-V156 HydrophobicContact CB-CG1 4.34Å; V143-V156 HydrophobicContact CG1-CG1 3.54Å; V143-V156 HydrophobicContact CG2-CG1 3.85Å; V143-F158 HydrophobicContact CG2-CD1 4.04Å; V143-F158 HydrophobicContact CG2-CE1 3.65Å; V143-F158 HydrophobicContact CG2-CZ 4.29Å
144C82.7Confident84.7Confident52 Ų5261.1 Ų61.135%0.35129%0.293SS..EExtended strand (participates in β ladder)trans-86.4-26.6177.362.20000112.7E157 V159C144-E157 PolarHBondContact N-O 2.75Å; C144-E157 PolarHBondContact SG-O 3.13Å; C144-V159 HydrophobicContact CB-CG2 3.85Å
145Y80.9Confident84.8Confident59 Ų5958.1 Ų58.123%0.23128%0.28CS..EExtended strand (participates in β ladder)trans-146.9139.6178178.3-102.8000111.1P110 V143 D147 V155 V156 E157P110-Y145 HydrophobicContact CB-CD2 3.64Å; P110-Y145 HydrophobicContact CB-CE2 3.69Å; P110-Y145 HydrophobicContact CG-CD2 4.26Å; P110-Y145 HydrophobicContact CG-CE2 3.79Å; V143-Y145 VanDerWaalsContact CG1-O 3.25Å; V143-Y145 WeakPolarHBondContact CG1-O 3.37Å; Y145-D147 HydrophobicContact CE1-CB 4Å; Y145-D147 PolarHBondContact OH-OD2 2.93Å; Y145-V155 HydrophobicContact CE1-CG2 4.06Å; Y145-V156 CarbonylContact O-C 3.47Å; Y145-V156 WeakPolarHBondContact O-CA 3.23Å; Y145-E157 HydrophobicContact CD1-CG 3.95Å; Y145-E157 PolarHBondContact N-O 3.17Å; Y145-E157 PolarHBondContact O-N 2.91Å
146A86.3Confident84.9Confident11 Ų1154.1 Ų54.19%0.09126%0.259CS..EExtended strand (participates in β ladder)trans-144.4140.3171.500000108.7K134 V143 V155 V156K134-A146 HydrophobicContact CB-CB 3.96Å; K134-A146 HydrophobicContact CG-CB 4.48Å; V143-A146 HydrophobicContact CG1-CB 4.14Å; A146-V155 CarbonylContact C-O 3.54Å; A146-V155 VanDerWaalsContact CA-O 3.28Å; A146-V155 WeakPolarHBondContact CA-O 3.21Å; A146-V156 HydrophobicContact CB-CG2 4.35Å
147D84.1Confident84.9Confident46 Ų4653.3 Ų53.325%0.24626%0.255CS..EExtended strand (participates in β ladder)trans-143.9147.3175.9-168.219.6000109.4Y145 Y149 G154 V155Y145-D147 HydrophobicContact CE1-CB 4Å; Y145-D147 PolarHBondContact OH-OD2 2.93Å; D147-Y149 WeakPolarHBondContact OD2-CE1 3.24Å; D147-Y149 PolarHBondContact OD2-OH 2.85Å; D147-G154 CarbonylContact O-C 3.59Å; D147-G154 WeakPolarHBondContact O-CA 3.17Å; D147-V155 HydrophobicContact CB-CG2 3.76Å; D147-V155 PolarHBondContact N-O 3.16Å; D147-V155 PolarHBondContact O-N 3.06Å
148V87.2Confident84.8Confident31 Ų3153.3 Ų53.319%0.18826%0.255CS..EExtended strand (participates in β ladder)trans-129.7128.8-179.2177.90000108.9L124 G128 W130 L133L124-V148 HydrophobicContact CD1-CB 4.46Å; L124-V148 HydrophobicContact CD1-CG1 3.84Å; L124-V148 HydrophobicContact CD1-CG2 3.84Å; G128-V148 WeakPolarHBondContact O-CG1 3.25Å; W130-V148 HydrophobicContact CB-CB 4.41Å; W130-V148 HydrophobicContact CB-CG2 4.07Å; L133-V148 HydrophobicContact CB-CG2 3.87Å; L133-V148 HydrophobicContact CD2-CG2 3.43Å; L133-V148 VanDerWaalsContact CD2-CG2 3.43Å; L133-V148 HydrophobicContact CG-CG2 4.29Å
149Y85.3Confident84.7Confident93 Ų9348.4 Ų48.437%0.36524%0.243SC..  trans-98153.8-179.6-58.5-68.7000110.6D147 D151 G152 T153 V155D147-Y149 WeakPolarHBondContact OD2-CE1 3.24Å; D147-Y149 PolarHBondContact OD2-OH 2.85Å; Y149-D151 WeakPolarHBondContact CB-OD1 3.41Å; Y149-D151 PolarHBondContact O-N 3.19Å; Y149-D151 VanDerWaalsContact O-N 3.11Å; Y149-G152 PolarHBondContact O-N 3.49Å; Y149-G152 VanDerWaalsContact O-N 3.16Å; Y149-T153 WeakPolarHBondContact CA-O 3.44Å; Y149-T153 WeakPolarHBondContact CB-O 3.5Å; Y149-T153 WeakPolarHBondContact CD2-OG1 3.28Å; Y149-T153 PolarHBondContact N-O 2.8Å; Y149-V155 HydrophobicContact CE2-CB 4.47Å; Y149-V155 HydrophobicContact CE2-CG1 3.84Å; Y149-V155 HydrophobicContact CE2-CG2 3.9Å
150R77.7Confident84.5Confident254 Ų25448 Ų4896%0.95824%0.236SC*.THydrogen-bonded Turntrans-66.3-10.1-179.4-71.6-177.5175.6-146.4-2.7114.3
151D81.9Confident84.4Confident114 Ų11453.6 Ų53.661%0.6126%0.259SS*.THydrogen-bonded Turntrans-85.36.2175.966.7-13.5000112.8Y149 T153Y149-D151 WeakPolarHBondContact CB-OD1 3.41Å; Y149-D151 PolarHBondContact O-N 3.19Å; Y149-D151 VanDerWaalsContact O-N 3.11Å; D151-T153 VanDerWaalsContact CG-OG1 3.24Å; D151-T153 PolarHBondContact O-N 3.12Å; D151-T153 WeakPolarHBondContact OD1-CB 3.24Å; D151-T153 PolarHBondContact OD1-N 3.4Å; D151-T153 PolarHBondContact OD1-OG1 3.08Å; D151-T153 PolarHBondContact OD2-OG1 3.16Å
152G79.2Confident84.4Confident12 Ų1258.4 Ų58.412%0.12428%0.277CS..SBendtrans75.715-177.500000112.9G123 L124 Y149G123-G152 PolarHBondContact N-O 3.29Å; G123-G152 VanDerWaalsContact N-O 3.11Å; L124-G152 PolarHBondContact N-O 3.41Å; Y149-G152 PolarHBondContact O-N 3.49Å; Y149-G152 VanDerWaalsContact O-N 3.16Å
153T86.8Confident84.7Confident38 Ų3856.9 Ų56.923%0.23327%0.268CS..EExtended strand (participates in β ladder)trans-101.4153167.7730000110.3V121 Y149 D151V121-T153 CarbonylContact O-C 3.57Å; V121-T153 VanDerWaalsContact O-CA 3.3Å; V121-T153 WeakPolarHBondContact O-CA 3.26Å; Y149-T153 WeakPolarHBondContact CA-O 3.44Å; Y149-T153 WeakPolarHBondContact CB-O 3.5Å; Y149-T153 WeakPolarHBondContact CD2-OG1 3.28Å; Y149-T153 PolarHBondContact N-O 2.8Å; D151-T153 VanDerWaalsContact CG-OG1 3.24Å; D151-T153 PolarHBondContact O-N 3.12Å; D151-T153 WeakPolarHBondContact OD1-CB 3.24Å; D151-T153 PolarHBondContact OD1-N 3.4Å; D151-T153 PolarHBondContact OD1-OG1 3.08Å; D151-T153 PolarHBondContact OD2-OG1 3.16Å
154G88.3Confident84.7Confident0 Ų057.1 Ų57.10%027%0.269CS..EExtended strand (participates in β ladder)trans-143.2161.817600000109.7V120 V121 D147V120-G154 CarbonylContact C-O 3.55Å; V120-G154 WeakPolarHBondContact CA-O 3.46Å; V121-G154 PolarHBondContact N-O 2.74Å; V121-G154 PolarHBondContact O-N 3.27Å; V121-G154 VanDerWaalsContact O-O 3.12Å; D147-G154 CarbonylContact O-C 3.59Å; D147-G154 WeakPolarHBondContact O-CA 3.17Å
155V89.4Confident84.9Confident4 Ų457.3 Ų57.32%0.02427%0.269CS..EExtended strand (participates in β ladder)trans-130.1140179-66.40000108.4V119 V120 Y145 A146 D147 Y149V119-V155 WeakPolarHBondContact O-CA 3.49Å; V120-V155 HydrophobicContact CG2-CG1 4.21Å; Y145-V155 HydrophobicContact CE1-CG2 4.06Å; A146-V155 CarbonylContact C-O 3.54Å; A146-V155 VanDerWaalsContact CA-O 3.28Å; A146-V155 WeakPolarHBondContact CA-O 3.21Å; D147-V155 HydrophobicContact CB-CG2 3.76Å; D147-V155 PolarHBondContact N-O 3.16Å; D147-V155 PolarHBondContact O-N 3.06Å; Y149-V155 HydrophobicContact CE2-CB 4.47Å; Y149-V155 HydrophobicContact CE2-CG1 3.84Å; Y149-V155 HydrophobicContact CE2-CG2 3.9Å
156V89.7Confident85.3Confident0 Ų059.8 Ų59.80%028%0.278CS..EExtended strand (participates in β ladder)trans-136.6130-176.1-176.40000107.8R118 V119 V121 L133 M137 V143 Y145 A146 F158R118-V156 CarbonylContact C-O 3.51Å; R118-V156 WeakPolarHBondContact CA-O 3.08Å; V119-V156 HydrophobicContact CG2-CB 3.72Å; V119-V156 HydrophobicContact CG2-CG1 4.48Å; V119-V156 PolarHBondContact N-O 3.23Å; V119-V156 PolarHBondContact O-N 3.48Å; V121-V156 HydrophobicContact CG2-CG2 3.98Å; L133-V156 HydrophobicContact CD1-CG2 4.15Å; L133-V156 HydrophobicContact CD2-CG2 3.58Å; L133-V156 HydrophobicContact CG-CG2 3.74Å; M137-V156 HydrophobicContact CB-CG1 4.06Å; M137-V156 HydrophobicContact CE-CB 4.05Å; M137-V156 HydrophobicContact CE-CG1 4.1Å; M137-V156 HydrophobicContact CE-CG2 4.11Å; M137-V156 HydrophobicContact CG-CG1 4.32Å; M137-V156 HydrophobicContact CG-CG2 4.09Å; V143-V156 HydrophobicContact CB-CG1 4.34Å; V143-V156 HydrophobicContact CG1-CG1 3.54Å; V143-V156 HydrophobicContact CG2-CG1 3.85Å; Y145-V156 CarbonylContact O-C 3.47Å; Y145-V156 WeakPolarHBondContact O-CA 3.23Å; A146-V156 HydrophobicContact CB-CG2 4.35Å; V156-F158 HydrophobicContact CG1-CE2 4.04Å; V156-F158 HydrophobicContact CG1-CZ 4.09Å
157E86.3Confident85.3Confident19 Ų1959.2 Ų59.29%0.08927%0.274CS..EExtended strand (participates in β ladder)trans-111.7133.8173.8-55.9178.2171.900109R118 C144 Y145R118-E157 HydrophobicContact CB-CG 4Å; R118-E157 HydrophobicContact CG-CG 3.88Å; C144-E157 PolarHBondContact N-O 2.75Å; C144-E157 PolarHBondContact SG-O 3.13Å; Y145-E157 HydrophobicContact CD1-CG 3.95Å; Y145-E157 PolarHBondContact N-O 3.17Å; Y145-E157 PolarHBondContact O-N 2.91Å
158F85.3Confident85.5Confident0 Ų058.6 Ų58.60%027%0.272CS..EExtended strand (participates in β ladder)trans-100.2153.2176.8-68.7-84.3000110.8S115 Y117 V119 M137 A140 V143 V156 R160 D163 M164 A167S115-F158 WeakPolarHBondContact CB-O 3.23Å; Y117-F158 PolarHBondContact O-N 3.11Å; V119-F158 HydrophobicContact CG1-CD2 4.43Å; V119-F158 HydrophobicContact CG1-CE2 4.11Å; V119-F158 HydrophobicContact CG2-CD2 4.48Å; V119-F158 HydrophobicContact CG2-CE2 3.75Å; M137-F158 HydrophobicContact CB-CZ 4.35Å; M137-F158 HydrophobicContact CE-CE2 3.97Å; M137-F158 HydrophobicContact CE-CZ 3.73Å; A140-F158 HydrophobicContact CB-CE1 4.29Å; A140-F158 HydrophobicContact CB-CZ 4.36Å; V143-F158 HydrophobicContact CG2-CD1 4.04Å; V143-F158 HydrophobicContact CG2-CE1 3.65Å; V143-F158 HydrophobicContact CG2-CZ 4.29Å; V156-F158 HydrophobicContact CG1-CE2 4.04Å; V156-F158 HydrophobicContact CG1-CZ 4.09Å; F158-R160 VanDerWaalsContact C-N 3.32Å; F158-R160 WeakPolarHBondContact CB-O 3.49Å; F158-D163 HydrophobicContact CB-CB 4.16Å; F158-D163 HydrophobicContact CD1-CB 3.74Å; F158-D163 HydrophobicContact CE1-CB 4.42Å; F158-D163 HydrophobicContact CG-CB 4.11Å; F158-M164 HydrophobicContact CB-CB 4.22Å; F158-M164 HydrophobicContact CD2-CB 3.78Å; F158-M164 HydrophobicContact CD2-CG 4.25Å; F158-M164 HydrophobicContact CG-CB 4.24Å; F158-A167 HydrophobicContact CE1-CB 4.29Å; F158-A167 HydrophobicContact CE2-CB 3.63Å; F158-A167 HydrophobicContact CZ-CB 3.38Å
159V83.1Confident85.4Confident60 Ų6067 Ų6736%0.36430%0.3SS..SBendtrans-66.6-39.2171.6-179.90000110.3Y117 D142 C144Y117-V159 WeakPolarHBondContact CD2-O 2.98Å; D142-V159 HydrophobicContact CB-CG2 4.11Å; D142-V159 WeakPolarHBondContact O-CG2 3.2Å; D142-V159 PolarHBondContact O-N 3.28Å; C144-V159 HydrophobicContact CB-CG2 3.85Å
160R82.8Confident85.5Confident117 Ų11768.1 Ų68.144%0.44231%0.307SS..SBendtrans-116.5148.7-175.6-56.4179.269.688.11.6112.6F158 E162 D163 M164F158-R160 VanDerWaalsContact C-N 3.32Å; F158-R160 WeakPolarHBondContact CB-O 3.49Å; R160-E162 VanDerWaalsContact C-N 3.3Å; R160-E162 IonicContact CZ-OE2 3.23Å; R160-E162 VanDerWaalsContact CZ-OE2 3.26Å; R160-E162 IonicContact NE-OE2 3.75Å; R160-E162 PolarHBondContact NE-OE2 2.73Å; R160-E162 IonicContact NH2-OE1 3.26Å; R160-E162 PolarHBondContact NH2-OE1 3.42Å; R160-E162 IonicContact NH2-OE2 3.02Å; R160-E162 PolarHBondContact NH2-OE2 3.28Å; R160-E162 PolarHBondContact O-N 3.33Å; R160-D163 HydrophobicContact CB-CB 4.43Å; R160-M164 PolarHBondContact O-N 3.31Å
161K80.5Confident85.9Confident128 Ų12856 Ų5656%0.55726%0.261SS*.Hα-helixtrans-64.8-34.6173.1-169.6-178174.1-177.30112.6Y117 M164 T165Y117-K161 HydrophobicContact CD1-CB 3.62Å; Y117-K161 HydrophobicContact CD1-CG 3.88Å; Y117-K161 HydrophobicContact CE1-CB 3.52Å; Y117-K161 HydrophobicContact CE1-CD 4.18Å; Y117-K161 HydrophobicContact CE1-CG 3.89Å; Y117-K161 HydrophobicContact CE2-CB 4.42Å; Y117-K161 HydrophobicContact CG-CB 4.13Å; K161-M164 HydrophobicContact CG-CE 3.86Å; K161-M164 PolarHBondContact O-N 3.23Å; K161-T165 WeakPolarHBondContact O-CB 3.44Å; K161-T165 PolarHBondContact O-N 3.43Å; K161-T165 PolarHBondContact O-OG1 3.07Å
162E85.8Confident86.1Confident118 Ų11853.3 Ų53.355%0.55125%0.246SC*.Hα-helixtrans-60.3-52.1179.1-68.2144.9-161.700110.2R160 M164 T165 Y166R160-E162 VanDerWaalsContact C-N 3.3Å; R160-E162 IonicContact CZ-OE2 3.23Å; R160-E162 VanDerWaalsContact CZ-OE2 3.26Å; R160-E162 IonicContact NE-OE2 3.75Å; R160-E162 PolarHBondContact NE-OE2 2.73Å; R160-E162 IonicContact NH2-OE1 3.26Å; R160-E162 PolarHBondContact NH2-OE1 3.42Å; R160-E162 IonicContact NH2-OE2 3.02Å; R160-E162 PolarHBondContact NH2-OE2 3.28Å; R160-E162 PolarHBondContact O-N 3.33Å; E162-M164 PolarHBondContact O-N 3.06Å; E162-T165 PolarHBondContact O-N 2.9Å; E162-T165 VanDerWaalsContact O-N 3.13Å; E162-Y166 WeakPolarHBondContact O-CB 3.2Å; E162-Y166 PolarHBondContact O-N 3.31Å
163D89.4Confident86.5Confident25 Ų2556.8 Ų56.813%0.13426%0.262CS..Hα-helixtrans-57.8-45176.8-57.75.7000111.7D142 F158 R160 T165 Y166 A167D142-D163 PolarHBondContact N-OD2 2.89Å; F158-D163 HydrophobicContact CB-CB 4.16Å; F158-D163 HydrophobicContact CD1-CB 3.74Å; F158-D163 HydrophobicContact CE1-CB 4.42Å; F158-D163 HydrophobicContact CG-CB 4.11Å; R160-D163 HydrophobicContact CB-CB 4.43Å; D163-T165 PolarHBondContact O-N 3.38Å; D163-Y166 PolarHBondContact O-N 2.83Å; D163-A167 VanDerWaalsContact O-CB 3.31Å; D163-A167 WeakPolarHBondContact O-CB 3.25Å; D163-A167 PolarHBondContact O-N 3.49Å
164M86.5Confident86.6Confident18 Ų1856.5 Ų56.59%0.08926%0.26CS..Hα-helixtrans-58.7-46.4175.2178.4-154.362.900111.9Y117 V119 F158 R160 K161 E162 Y166 A167 V168 L190Y117-M164 WeakPolarHBondContact CA-SD 3.3Å; V119-M164 HydrophobicContact CG1-CG 3.46Å; V119-M164 VanDerWaalsContact CG1-CG 3.46Å; F158-M164 HydrophobicContact CB-CB 4.22Å; F158-M164 HydrophobicContact CD2-CB 3.78Å; F158-M164 HydrophobicContact CD2-CG 4.25Å; F158-M164 HydrophobicContact CG-CB 4.24Å; R160-M164 PolarHBondContact O-N 3.31Å; K161-M164 HydrophobicContact CG-CE 3.86Å; K161-M164 PolarHBondContact O-N 3.23Å; E162-M164 PolarHBondContact O-N 3.06Å; M164-Y166 VanDerWaalsContact C-N 3.34Å; M164-A167 PolarHBondContact O-N 3.14Å; M164-V168 WeakPolarHBondContact O-CG2 3.27Å; M164-V168 PolarHBondContact O-N 2.67Å; M164-V168 VanDerWaalsContact O-N 3.12Å; M164-L190 HydrophobicContact CE-CD2 3.51Å; M164-L190 HydrophobicContact CG-CD2 3.86Å; M164-L190 HydrophobicContact SD-CD2 3.57Å; M164-L190 VanDerWaalsContact SD-CD2 3.57Å
165T87.1Confident86.6Confident57 Ų5762.3 Ų62.335%0.3529%0.286SS..Hα-helixtrans-67.9-38.6-179.8-53.10000110.8K161 E162 D163 R169K161-T165 WeakPolarHBondContact O-CB 3.44Å; K161-T165 PolarHBondContact O-N 3.43Å; K161-T165 PolarHBondContact O-OG1 3.07Å; E162-T165 PolarHBondContact O-N 2.9Å; E162-T165 VanDerWaalsContact O-N 3.13Å; D163-T165 PolarHBondContact O-N 3.38Å; T165-R169 VanDerWaalsContact O-CG 3.28Å; T165-R169 WeakPolarHBondContact O-CG 3.28Å; T165-R169 PolarHBondContact O-N 3.08Å
166Y88.1Confident86.6Confident110 Ų11062.2 Ų62.243%0.43129%0.285SS..Hα-helixtrans-65.7-42.6175.1-173.9-98.9000111.4A140 E162 D163 M164 V168 R169 K170A140-Y166 HydrophobicContact CB-CD1 3.82Å; A140-Y166 HydrophobicContact CB-CE1 4.46Å; E162-Y166 WeakPolarHBondContact O-CB 3.2Å; E162-Y166 PolarHBondContact O-N 3.31Å; D163-Y166 PolarHBondContact O-N 2.83Å; M164-Y166 VanDerWaalsContact C-N 3.34Å; Y166-V168 PolarHBondContact O-N 3.05Å; Y166-R169 PolarHBondContact O-N 2.78Å; Y166-R169 VanDerWaalsContact O-N 3.12Å; Y166-K170 HydrophobicContact CD1-CB 4.23Å; Y166-K170 HydrophobicContact CE1-CB 3.93Å; Y166-K170 HydrophobicContact CE1-CG 3.95Å; Y166-K170 HydrophobicContact CE2-CB 4.32Å; Y166-K170 HydrophobicContact CE2-CG 4.48Å; Y166-K170 VanDerWaalsContact O-CB 3.25Å; Y166-K170 WeakPolarHBondContact O-CB 3.27Å; Y166-K170 PolarHBondContact O-N 3.12Å
167A87.5Confident86.4Confident0 Ų071 Ų710%032%0.318CS..Hα-helixtrans-57.3-4717600000112M137 A140 F158 D163 M164 R169 L171M137-A167 HydrophobicContact CE-CB 4.18Å; A140-A167 VanDerWaalsContact CB-CA 3.46Å; A140-A167 HydrophobicContact CB-CB 3.45Å; A140-A167 VanDerWaalsContact CB-CB 3.45Å; F158-A167 HydrophobicContact CE1-CB 4.29Å; F158-A167 HydrophobicContact CE2-CB 3.63Å; F158-A167 HydrophobicContact CZ-CB 3.38Å; D163-A167 VanDerWaalsContact O-CB 3.31Å; D163-A167 WeakPolarHBondContact O-CB 3.25Å; D163-A167 PolarHBondContact O-N 3.49Å; M164-A167 PolarHBondContact O-N 3.14Å; A167-R169 VanDerWaalsContact C-N 3.29Å; A167-R169 PolarHBondContact O-N 3.38Å; A167-L171 HydrophobicContact CB-CD1 4.24Å; A167-L171 WeakPolarHBondContact O-CA 3.46Å; A167-L171 VanDerWaalsContact O-CB 3.22Å; A167-L171 WeakPolarHBondContact O-CB 3.2Å; A167-L171 PolarHBondContact O-N 3.07Å
168V88.1Confident86.3Confident33 Ų3370.2 Ų70.220%0.232%0.315CS..Hα-helixtrans-64.4-35.3178173.10000111.7V119 M164 Y166 D172 V188 L190V119-V168 HydrophobicContact CG1-CG2 3.71Å; M164-V168 WeakPolarHBondContact O-CG2 3.27Å; M164-V168 PolarHBondContact O-N 2.67Å; M164-V168 VanDerWaalsContact O-N 3.12Å; Y166-V168 PolarHBondContact O-N 3.05Å; V168-D172 VanDerWaalsContact O-CB 3.24Å; V168-D172 WeakPolarHBondContact O-CB 3.22Å; V168-V188 HydrophobicContact CG2-CG1 3.94Å; V168-L190 HydrophobicContact CG1-CG 4.38Å; V168-L190 HydrophobicContact CG2-CD2 3.72Å; V168-L190 HydrophobicContact CG2-CG 3.88Å
169R85.1Confident86Confident208 Ų20876.1 Ų76.179%0.78534%0.342SS*.Hα-helixtrans-80.5-35.3-178.6-70.4175.469.9-169.52.1113.4T165 Y166 A167T165-R169 VanDerWaalsContact O-CG 3.28Å; T165-R169 WeakPolarHBondContact O-CG 3.28Å; T165-R169 PolarHBondContact O-N 3.08Å; Y166-R169 PolarHBondContact O-N 2.78Å; Y166-R169 VanDerWaalsContact O-N 3.12Å; A167-R169 VanDerWaalsContact C-N 3.29Å; A167-R169 PolarHBondContact O-N 3.38Å
170K86.4Confident85.8Confident115 Ų11579.7 Ų79.750%0.536%0.355SS..Hα-helixtrans-105-35.8-169-170.967.9177.8-1780113.1Y166 T174Y166-K170 HydrophobicContact CD1-CB 4.23Å; Y166-K170 HydrophobicContact CE1-CB 3.93Å; Y166-K170 HydrophobicContact CE1-CG 3.95Å; Y166-K170 HydrophobicContact CE2-CB 4.32Å; Y166-K170 HydrophobicContact CE2-CG 4.48Å; Y166-K170 VanDerWaalsContact O-CB 3.25Å; Y166-K170 WeakPolarHBondContact O-CB 3.27Å; Y166-K170 PolarHBondContact O-N 3.12Å; K170-T174 WeakPolarHBondContact O-CG2 3.31Å
171L86.1Confident85.6Confident0 Ų076.5 Ų76.50%036%0.358CS..SBendtrans-94.3-6.3-176.7-56.6-178.7000113.4M137 E139 A140 A167 T174 V188M137-L171 HydrophobicContact SD-CB 4.37Å; M137-L171 HydrophobicContact SD-CD1 3.58Å; M137-L171 VanDerWaalsContact SD-CD1 3.58Å; E139-L171 HydrophobicContact CB-CD2 4.11Å; E139-L171 HydrophobicContact CG-CD2 4.2Å; A140-L171 HydrophobicContact CB-CD1 3.42Å; A140-L171 VanDerWaalsContact CB-CD1 3.42Å; A140-L171 HydrophobicContact CB-CG 4.03Å; A167-L171 HydrophobicContact CB-CD1 4.24Å; A167-L171 WeakPolarHBondContact O-CA 3.46Å; A167-L171 VanDerWaalsContact O-CB 3.22Å; A167-L171 WeakPolarHBondContact O-CB 3.2Å; A167-L171 PolarHBondContact O-N 3.07Å; L171-T174 HydrophobicContact CD2-CG2 4.41Å; L171-T174 WeakPolarHBondContact O-CB 3.34Å; L171-T174 WeakPolarHBondContact O-CG2 3.44Å; L171-T174 PolarHBondContact O-N 3.41Å; L171-T174 PolarHBondContact O-OG1 2.78Å; L171-V188 HydrophobicContact CB-CG2 4.14Å
172D87.7Confident85.7Confident57 Ų5774.8 Ų74.831%0.30535%0.353SS..THydrogen-bonded Turntrans-66.1135.5170.7-171.960.8000111.7V168 T174 R187 V188V168-D172 VanDerWaalsContact O-CB 3.24Å; V168-D172 WeakPolarHBondContact O-CB 3.22Å; D172-T174 PolarHBondContact O-N 3.1Å; D172-R187 VanDerWaalsContact OD1-CA 3.24Å; D172-R187 WeakPolarHBondContact OD1-CA 3.38Å; D172-V188 HydrophobicContact CB-CB 4.5Å; D172-V188 PolarHBondContact OD1-N 3.17Å
173N87.7Confident85.8Confident85 Ų8572.6 Ų72.646%0.45535%0.347SS..THydrogen-bonded Turntrans56.526.9-172.4-54.5-62000114.6I186N173-I186 WeakPolarHBondContact CA-O 3.49Å; N173-I186 PolarHBondContact N-O 2.91Å
174T88.3Confident85.7Confident32 Ų3272.5 Ų72.520%0.19635%0.35CS..EExtended strand (participates in β ladder)trans-82.115217257.90000111.9H136 K170 L171 D172 F176 Y185 I186H136-T174 PolarHBondContact NE2-OG1 2.91Å; K170-T174 WeakPolarHBondContact O-CG2 3.31Å; L171-T174 HydrophobicContact CD2-CG2 4.41Å; L171-T174 WeakPolarHBondContact O-CB 3.34Å; L171-T174 WeakPolarHBondContact O-CG2 3.44Å; L171-T174 PolarHBondContact O-N 3.41Å; L171-T174 PolarHBondContact O-OG1 2.78Å; D172-T174 PolarHBondContact O-N 3.1Å; T174-F176 PolarHBondContact O-N 2.78Å; T174-Y185 WeakPolarHBondContact O-CA 3.46Å; T174-I186 WeakPolarHBondContact O-CG1 3.35Å; T174-I186 PolarHBondContact O-N 2.91Å
175K88.8Confident85.9Confident123 Ų12379.4 Ų79.454%0.53538%0.376SS..EExtended strand (participates in β ladder)trans-78.6108.1176.2-173.7176.8-179.4179.50109.1H136 T183 Y185H136-K175 PolarHBondContact CE1-O 3.14Å; K175-T183 WeakPolarHBondContact CE-OG1 3.18Å; K175-Y185 HydrophobicContact CB-CD1 4.4Å; K175-Y185 HydrophobicContact CB-CE1 4.13Å
176F87.6Confident86.1Confident1 Ų176.7 Ų76.70%0.00436%0.36CS..EExtended strand (participates in β ladder)trans-83.2142.5171.4-179.7-97.2000110.3L124 P125 D132 L133 H136 T174 T183 A184 I186L124-F176 HydrophobicContact CD2-CD1 4.07Å; L124-F176 HydrophobicContact CD2-CD2 4.22Å; L124-F176 HydrophobicContact CD2-CE1 4.01Å; L124-F176 HydrophobicContact CD2-CE2 4.19Å; L124-F176 HydrophobicContact CD2-CG 4.13Å; L124-F176 HydrophobicContact CD2-CZ 4.04Å; P125-F176 HydrophobicContact CG-CD1 3.62Å; P125-F176 HydrophobicContact CG-CE1 3.64Å; D132-F176 HydrophobicContact CB-CE1 4.37Å; D132-F176 HydrophobicContact CB-CE2 4.05Å; D132-F176 HydrophobicContact CB-CZ 3.47Å; D132-F176 VanDerWaalsContact CB-CZ 3.47Å; D132-F176 WeakPolarHBondContact O-CE2 3.5Å; L133-F176 HydrophobicContact CB-CE2 4.41Å; H136-F176 HydrophobicContact CB-CD2 3.84Å; H136-F176 HydrophobicContact CB-CE2 3.93Å; H136-F176 AromaticContact CG-CD2 3.75Å; H136-F176 AromaticContact ND1-CD2 3.97Å; T174-F176 PolarHBondContact O-N 2.78Å; F176-T183 CarbonylContact O-C 3.52Å; F176-T183 WeakPolarHBondContact O-CA 3.46Å; F176-T183 WeakPolarHBondContact O-CB 3.38Å; F176-A184 WeakPolarHBondContact CB-O 3.28Å; F176-A184 PolarHBondContact N-O 3.32Å; F176-A184 PolarHBondContact O-N 2.82Å; F176-I186 HydrophobicContact CB-CB 4.4Å; F176-I186 HydrophobicContact CB-CD1 4.45Å; F176-I186 HydrophobicContact CB-CG1 4.22Å; F176-I186 HydrophobicContact CB-CG2 3.42Å; F176-I186 VanDerWaalsContact CB-CG2 3.42Å; F176-I186 HydrophobicContact CD2-CG2 4.46Å; F176-I186 HydrophobicContact CG-CG2 3.93Å
177R86.8Confident86.1Confident185 Ų18578.1 Ų78.170%0.69836%0.364SS*.EExtended strand (participates in β ladder)trans-124.4124.1174.6-176.217873.31603.1109.3E182 T183R177-E182 CarbonylContact C-O 3.42Å; R177-E182 WeakPolarHBondContact CA-O 3.43Å; R177-T183 HydrophobicContact CB-CG2 4.03Å; R177-T183 HydrophobicContact CG-CG2 3.9Å
178S83.5Confident86.2Confident3 Ų378.2 Ų78.22%0.02137%0.365CS..  trans-77.9162.6171.871.10000111.6S127 E180 G181 E182S127-S178 VanDerWaalsContact OG-CB 3.28Å; S127-S178 WeakPolarHBondContact OG-CB 3.29Å; S127-S178 PolarHBondContact OG-OG 3.35Å; S178-E180 PolarHBondContact O-N 2.67Å; S178-E180 PolarHBondContact OG-N 3.37Å; S178-G181 PolarHBondContact O-N 2.71Å; S178-E182 PolarHBondContact N-O 2.75Å; S178-E182 WeakPolarHBondContact OG-CB 3.49Å; S178-E182 PolarHBondContact OG-N 2.98Å; S178-E182 PolarHBondContact OG-O 3.24Å
179H79Confident86.1Confident124 Ų12482.7 Ų82.757%0.57438%0.382SS*.THydrogen-bonded Turntrans-60-25172.670.6-73.9000113.7S127 D132 G181S127-H179 PolarHBondContact O-CE1 3.03Å; D132-H179 PolarHBondContact OD1-N 3.03Å; D132-H179 IonicContact OD2-CG 2.67Å; D132-H179 PolarHBondContact OD2-N 3.31Å; D132-H179 IonicContact OD2-ND1 3.58Å; D132-H179 PolarHBondContact OD2-ND1 3.01Å; H179-G181 PolarHBondContact O-N 3.08Å
180E78.4Confident85.9Confident134 Ų13477.1 Ų77.163%0.62637%0.367SS*.THydrogen-bonded Turntrans-80.60174.7-58.2-162.4140.500113S127 S178 E182S127-E180 WeakPolarHBondContact CB-OE2 3.25Å; S178-E180 PolarHBondContact O-N 2.67Å; S178-E180 PolarHBondContact OG-N 3.37Å; E180-E182 VanDerWaalsContact C-N 3.34Å
181G80.1Confident85Confident50 Ų5074.1 Ų74.152%0.51536%0.356SS..SBendtrans85.61177.300000114.5S178 H179S178-G181 PolarHBondContact O-N 2.71Å; H179-G181 PolarHBondContact O-N 3.08Å
182E82.5Confident83.4Confident93 Ų9376.1 Ų76.144%0.43538%0.377SS..  trans-68.5141.2171.3-60.7-172.4153.100110P125 S127 R177 S178 E180P125-E182 HydrophobicContact CB-CB 4.05Å; S127-E182 WeakPolarHBondContact CB-OE2 3.28Å; S127-E182 WeakPolarHBondContact OG-CB 2.85Å; S127-E182 WeakPolarHBondContact OG-CG 3.37Å; S127-E182 PolarHBondContact OG-OE2 2.73Å; R177-E182 CarbonylContact C-O 3.42Å; R177-E182 WeakPolarHBondContact CA-O 3.43Å; S178-E182 PolarHBondContact N-O 2.75Å; S178-E182 WeakPolarHBondContact OG-CB 3.49Å; S178-E182 PolarHBondContact OG-N 2.98Å; S178-E182 PolarHBondContact OG-O 3.24Å; E180-E182 VanDerWaalsContact C-N 3.34Å
183T87.6Confident81.4Confident71 Ų7179.5 Ų79.544%0.43640%0.402SS..EExtended strand (participates in β ladder)trans-124.3133.9177.765.80000111.2K175 F176 R177K175-T183 WeakPolarHBondContact CE-OG1 3.18Å; F176-T183 CarbonylContact O-C 3.52Å; F176-T183 WeakPolarHBondContact O-CA 3.46Å; F176-T183 WeakPolarHBondContact O-CB 3.38Å; R177-T183 HydrophobicContact CB-CG2 4.03Å; R177-T183 HydrophobicContact CG-CG2 3.9Å
184A87.9Confident79.1Confident24 Ų2485.9 Ų85.920%0.19842%0.42CS..EExtended strand (participates in β ladder)trans-137.9157.3177.500000110.3G123 P125 F176G123-A184 VanDerWaalsContact O-CB 3.32Å; G123-A184 WeakPolarHBondContact O-CB 3.21Å; P125-A184 HydrophobicContact CB-CB 4.32Å; P125-A184 HydrophobicContact CG-CB 4.43Å; F176-A184 WeakPolarHBondContact CB-O 3.28Å; F176-A184 PolarHBondContact N-O 3.32Å; F176-A184 PolarHBondContact O-N 2.82Å
185Y89.9Confident76.5Confident162 Ų16289 Ų8964%0.63544%0.443SS*.EExtended strand (participates in β ladder)trans-88.3121.2172.3-69.7-83.1000109.4T174 K175T174-Y185 WeakPolarHBondContact O-CA 3.46Å; K175-Y185 HydrophobicContact CB-CD1 4.4Å; K175-Y185 HydrophobicContact CB-CE1 4.13Å
186I90.9Very high74.1Confident0 Ų089.1 Ų89.10%046%0.456CS..EExtended strand (participates in β ladder)trans-94147.3179.759.1163.2000110.9V121 S122 L124 N173 T174 F176 V188V121-I186 HydrophobicContact CG1-CB 3.85Å; V121-I186 HydrophobicContact CG1-CD1 4.03Å; V121-I186 HydrophobicContact CG1-CG2 4.14Å; S122-I186 CarbonylContact O-C 3.54Å; S122-I186 WeakPolarHBondContact O-CA 3.34Å; L124-I186 HydrophobicContact CD2-CG2 3.53Å; L124-I186 HydrophobicContact CG-CG2 4.23Å; N173-I186 WeakPolarHBondContact CA-O 3.49Å; N173-I186 PolarHBondContact N-O 2.91Å; T174-I186 WeakPolarHBondContact O-CG1 3.35Å; T174-I186 PolarHBondContact O-N 2.91Å; F176-I186 HydrophobicContact CB-CB 4.4Å; F176-I186 HydrophobicContact CB-CD1 4.45Å; F176-I186 HydrophobicContact CB-CG1 4.22Å; F176-I186 HydrophobicContact CB-CG2 3.42Å; F176-I186 VanDerWaalsContact CB-CG2 3.42Å; F176-I186 HydrophobicContact CD2-CG2 4.46Å; F176-I186 HydrophobicContact CG-CG2 3.93Å; I186-V188 HydrophobicContact CD1-CG2 4.23Å
187R88.6Confident71.5Confident140 Ų14094.3 Ų94.353%0.52849%0.493SS..EExtended strand (participates in β ladder)trans-113.4128.5171.7-73.3-180176.2175.7-0.4109.8V121 S122 D172V121-R187 CarbonylContact C-O 3.52Å; V121-R187 VanDerWaalsContact CA-O 3.29Å; V121-R187 WeakPolarHBondContact CA-O 3.44Å; S122-R187 PolarHBondContact N-O 2.79Å; S122-R187 PolarHBondContact O-N 2.83Å; S122-R187 PolarHBondContact OG-O 2.81Å; D172-R187 VanDerWaalsContact OD1-CA 3.24Å; D172-R187 WeakPolarHBondContact OD1-CA 3.38Å
188V88.7Confident69.2Low3 Ų396 Ų962%0.01850%0.501CS..EExtended strand (participates in β ladder)trans-112.4114.6-176.4-173.50000108.1V119 V121 M137 V168 L171 D172 I186V119-V188 HydrophobicContact CB-CG1 3.91Å; V119-V188 HydrophobicContact CG1-CG1 4.29Å; V119-V188 HydrophobicContact CG2-CG1 3.89Å; V121-V188 HydrophobicContact CG2-CG1 4.47Å; V121-V188 HydrophobicContact CG2-CG2 4.27Å; M137-V188 HydrophobicContact CE-CG1 3.95Å; M137-V188 HydrophobicContact CE-CG2 4.35Å; M137-V188 HydrophobicContact SD-CG2 4.24Å; V168-V188 HydrophobicContact CG2-CG1 3.94Å; L171-V188 HydrophobicContact CB-CG2 4.14Å; D172-V188 HydrophobicContact CB-CB 4.5Å; D172-V188 PolarHBondContact OD1-N 3.17Å; I186-V188 HydrophobicContact CD1-CG2 4.23Å
189K86.3Confident67.2Low126 Ų12698.4 Ų98.455%0.54853%0.526SS..EExtended strand (participates in β ladder)trans-118.5144.4178.7-65.8-175.9178.2-1790109.8V119 V120 D191V119-K189 CarbonylContact C-O 3.56Å; V119-K189 VanDerWaalsContact CA-O 3.31Å; V119-K189 WeakPolarHBondContact CA-O 3.24Å; V119-K189 WeakPolarHBondContact CB-O 3.15Å; V120-K189 PolarHBondContact N-O 2.91Å; V120-K189 PolarHBondContact O-N 3.1Å; K189-D191 PolarHBondContact O-N 3.11Å
190L80.1Confident65Low92 Ų92102.1 Ų102.148%0.48254%0.535SS..EExtended strand (participates in β ladder)trans-57.5129.5167.8-67.4170.1000108.6M164 V168 G192M164-L190 HydrophobicContact CE-CD2 3.51Å; M164-L190 HydrophobicContact CG-CD2 3.86Å; M164-L190 HydrophobicContact SD-CD2 3.57Å; M164-L190 VanDerWaalsContact SD-CD2 3.57Å; V168-L190 HydrophobicContact CG1-CG 4.38Å; V168-L190 HydrophobicContact CG2-CD2 3.72Å; V168-L190 HydrophobicContact CG2-CG 3.88Å; L190-G192 PolarHBondContact O-N 3.25Å
191D68.9Low63Low51 Ų51101.4 Ų101.427%0.27355%0.545SS..  trans-74.382.1160.9-166.749.6000105.2R118 V120 K189R118-D191 HydrophobicContact CB-CB 4.06Å; R118-D191 WeakPolarHBondContact CD-OD2 3.39Å; R118-D191 HydrophobicContact CG-CB 3.96Å; R118-D191 IonicContact CZ-OD2 3.85Å; R118-D191 IonicContact NE-OD2 3.29Å; R118-D191 IonicContact NH1-OD1 2.67Å; R118-D191 IonicContact NH1-OD2 3.82Å; R118-D191 PolarHBondContact NH1-OD2 2.77Å; R118-D191 WeakPolarHBondContact O-CB 3.44Å; R118-D191 PolarHBondContact O-N 2.65Å; V120-D191 HydrophobicContact CG2-CB 3.83Å; K189-D191 PolarHBondContact O-N 3.11Å
192G52.8Low60.9Low42 Ų42107.9 Ų107.943%0.43355%0.554SS.*  trans-51.7150.4176.500000109.4L190 R194L190-G192 PolarHBondContact O-N 3.25Å; G192-R194 PolarHBondContact O-N 3.4Å
193P44.3Very low58.7Low128 Ų128108.9 Ų108.983%0.83157%0.571SS**  trans-52.8107.8-17722.5-32.2000106.9S195P193-S195 PolarHBondContact O-N 2.85Å
194R41.1Very low56.2Low219 Ų219116.2 Ų116.283%0.82659%0.591SS**  trans-62.997.1176.2-156.4178.2-167.3-176.66.6102.8G192G192-R194 PolarHBondContact O-N 3.4Å
195S32.8Very low53.7Low98 Ų98121 Ų12169%0.68562%0.623SS**  trans-43.3125.6176.2-54.80000105.4P193 S197P193-S195 PolarHBondContact O-N 2.85Å; S195-S197 PolarHBondContact O-N 3.41Å
196P39.1Very low51.2Low125 Ų125125.2 Ų125.281%0.81264%0.638SS**  trans-59.195.7179.3-21.130.9000106.7Y198P196-Y198 PolarHBondContact O-N 3.33Å
197S33.1Very low48.5Very low111 Ų111129.2 Ų129.278%0.77668%0.678SS**  trans-73.873.5170.3-1770000105.4S195 G199S195-S197 PolarHBondContact O-N 3.41Å; S197-G199 PolarHBondContact O-N 3.39Å
198Y38.5Very low45.9Very low221 Ų221128.3 Ų128.387%0.86769%0.694SS**  trans-44.8120.7147.9120.1-88.8000105.7P196P196-Y198 PolarHBondContact O-N 3.33Å
199G40Very low43.2Very low53 Ų53140.3 Ų140.355%0.54674%0.739SS.*  trans143.547.4-177.600000115S197S197-G199 PolarHBondContact O-N 3.39Å
200R32.7Very low40.7Very low201 Ų201140.1 Ų140.176%0.75875%0.753SS**  trans-136.675.9149-149.4171.2-161.9-150.44.6110.4R202R200-R202 PolarHBondContact O-N 3.21Å
201S38.2Very low38.5Very low120 Ų120147.6 Ų147.684%0.83978%0.775SS**  trans-5197.31641.60000109.2
202R33.9Very low36.7Very low186 Ų186151.1 Ų151.170%0.70280%0.804SS**  trans-107.189.4159.8-87.3-179.2171171.8-4.3107.2R200 R204R200-R202 PolarHBondContact O-N 3.21Å; R202-R204 PolarHBondContact O-N 3.34Å
203S37.6Very low35.8Very low114 Ų114160.9 Ų160.980%0.79783%0.827SS**  trans-52.5113.5166.535.40000109.9
204R35.3Very low35.2Very low224 Ų224160.4 Ų160.485%0.84583%0.827SS**  trans-135.3100.1163.2-74.4-167.4176-178.2-1.2109.7R202R202-R204 PolarHBondContact O-N 3.34Å
205S34.4Very low34.8Very low126 Ų126161.9 Ų161.988%0.88183%0.833SS**  trans-48.3126.5170.5-28.10000111
206R37.1Very low34.8Very low250 Ų250163.2 Ų163.294%0.94384%0.842SS**  trans-108.5105.9171.3-72.6-172.6178-178.70.2109.6
207G34.4Very low34.4Very low83 Ų83162.2 Ų162.286%0.85684%0.844SS**  trans-76.3127.4163.200000110.4
208S34.8Very low34.3Very low122 Ų122162.6 Ų162.685%0.85385%0.847SS**  trans-88.5119.2178.248.40000111.3
209R32.6Very low34.1Very low255 Ų255163.4 Ų163.496%0.96285%0.848SS**  trans-112.3108.8161.7-87.2179.5173.8161.6-1.6109
210S33.9Very low33.5Very low122 Ų122165.8 Ų165.885%0.85386%0.857SS**PPolyproline II helixtrans-80.2127.917548.70000111.3
211R32.6Very low33.4Very low249 Ų249166.9 Ų166.994%0.9486%0.861SS**PPolyproline II helixtrans-102.5125.3166.3-85.6179.8172.6163.4-3109.6
212S31.4Very low33Very low124 Ų124166.7 Ų166.787%0.86786%0.86SS**PPolyproline II helixtrans-67.9137.5-176.743.50000113.9
213R33Very low32.8Very low247 Ų247164.7 Ų164.793%0.93286%0.863SS**  trans-107128.8163.3-85.5-179.9172164.7-2.6109.5
214S32Very low32.5Very low118 Ų118163.1 Ų163.183%0.82585%0.852SS**  trans-74.2132.8175.738.50000112.1
215R33.5Very low32.4Very low250 Ų250164.4 Ų164.494%0.94386%0.856SS**  trans-144.9138153.5-75.1-165173.5165.7-3.8110.4
216S31.8Very low32.3Very low126 Ų126161.7 Ų161.788%0.88185%0.849SS**PPolyproline II helixtrans-66.5145.6-168.227.40000114.8
217A31.9Very low32.1Very low104 Ų104162 Ų16286%0.8685%0.85SS**PPolyproline II helixtrans-103.8126.4176.900000111.2
218S31Very low31.9Very low119 Ų119161.8 Ų161.883%0.83285%0.848SS**PPolyproline II helixtrans-95124.4165.349.70000110.7
219R32.9Very low31.9Very low238 Ų238168 Ų16890%0.89885%0.853SS**  trans-19.4130.5164-62.3167.6174.2170.1-3.3116.2
220S29.1Very low31.8Very low103 Ų103158.9 Ų158.972%0.7284%0.838SS**  159.3139.297.455.30000114.5
221R29.9Very low31.8Very low225 Ų225158.7 Ų158.785%0.84984%0.837SS**  trans78.8115.7143.6-72.1168.6-179.3-178.60.4122.2
222S30.2Very low32.3Very low116 Ų116152.8 Ų152.881%0.81183%0.831SS**  trans73.5144.8135.672.50000117.3
223N29.8Very low32.4Very low143 Ų143158.5 Ų158.577%0.76583%0.833SS**  cis-160.7145.53.3-158.3-4.9000108.3
224S31.8Very low32.1Very low81 Ų81157.5 Ų157.557%0.56683%0.831SS**  trans29.3128.7150.949.80000123.2
225R33.2Very low32.2Very low251 Ų251156.1 Ų156.195%0.94782%0.821SS**  158.7115.1127.6-83.5161.5-168.4-158.94.7105.6
226G31.4Very low32.7Very low70 Ų70148.7 Ų148.772%0.72281%0.805SS**  cis132.110826.500000106.4
227R32.7Very low32.8Very low256 Ų256153.7 Ų153.797%0.96681%0.805SS**  trans61.6110157.2-61.6-179.2173.3-138.1-2.3117.6
228G31.2Very low32.7Very low79 Ų79156.5 Ų156.581%0.81480%0.8SS**  119.8153.297.100000107.9
229R33.3Very low33Very low252 Ų252155.3 Ų155.395%0.95179%0.792SS**  cis-175.2139.820.3-173.2-179.5-171.2-149.63.2106.4
230G31Very low33.3Very low64 Ų64155 Ų15566%0.6679%0.79SS**  trans73.4105.5148.300000120.6
231S35.1Very low33.6Very low118 Ų118155.5 Ų155.583%0.82579%0.794SS**  34.8161.7111-51.20000121.1
232P43Very low33.9Very low124 Ų124156.7 Ų156.781%0.80580%0.799SS**  cis-135.2165.6-2426.3-4.1000114.3
233R32.3Very low34.3Very low244 Ų244156.9 Ų156.992%0.92180%0.8SS**  trans-61.7137167.2-71.3173.1166.9-142.6-3.7112.1
234Y28.1Very low34.7Very low227 Ų227161.1 Ų161.189%0.8981%0.805SS**  trans-91.4126.7155.5-173.8-101.2000109
235S32.2Very low35.1Very low89 Ų89166.5 Ų166.562%0.62284%0.843SS**  trans-75.6-158176.3-41.60000110.4
236P45.4Very low35.2Very low93 Ų93162.3 Ų162.360%0.60484%0.838SS**  cis-136.5-169.2-23.822.92.4000112.1
237R32.5Very low35.4Very low232 Ų232167.2 Ų167.288%0.87584%0.844SS**  trans89.9140.5153.7-54.9-169.8-178-117.6-0.8114.4
238H31.4Very low35.6Very low162 Ų162162.2 Ų162.275%0.7584%0.837SS**  cis176.9129.8-3.2177.478.5000101.1
239S36Very low35.8Very low95 Ų95167.1 Ų167.166%0.66484%0.839SS**  173.8126.98239.40000105.7
240R38.8Very low36Very low230 Ų230161.8 Ų161.887%0.86883%0.831SS**  25.8121.498.2-68.8-177.9174.9176.8-2.2112.3
241S36.7Very low36.3Very low115 Ų115168.3 Ų168.380%0.80484%0.843SS**  cis-171.3148.34738.50000109.8
242R36.2Very low36.4Very low249 Ų249171.9 Ų171.994%0.9484%0.844SS**  trans-123.8119.8158.8-100.6-176.8171.1-179.5-3.8107.6
243S37.7Very low35.9Very low120 Ų120175.6 Ų175.684%0.83985%0.847SS**  trans-65.6142.4166.2-40.80000109.4
244R39.3Very low36.2Very low233 Ų233169.9 Ų169.988%0.87984%0.841SS**  trans-75.7155.8173.2-84.7175.4156.8-177.4-7.4111.1
245S40.2Very low36.9Very low194 Ų194164.7 Ų164.7100%1.35784%0.837SS**  trans55.90139.8-58.30000119

Retrieved 245 of 245 residues in 634.3 ms (Link to these results)