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Dolichol-phosphate mannosyltransferase subunit 1

Transfers mannose from GDP-mannose to dolichol monophosphate to form dolichol phosphate mannose (Dol-P-Man) which is the mannosyl donor in pathways leading to N-glycosylation, glycosyl phosphatidylinositol membrane anchoring, and O-mannosylation of proteins.

AlphaFold DB , UniProt , Accession A0A077ZBS5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 244 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
1M34.5Very low63.1Low254 Ų254109.1 Ų109.1100%1.25158%0.579SS**  0980-62.3177.2170.600105.7
2S33.9Very low66.1Low109 Ų109100 Ų10076%0.76253%0.531SS*.  cis-137.8134.935.2-179.60000110.8
3S31.9Very low68.6Low94 Ų9492.4 Ų92.466%0.65749%0.49SS*.  trans28.5116.2155.165.90000120.5R5S3-R5 PolarHBondContact O-N 3.2Å; S3-R5 VanDerWaalsContact O-N 3.14Å
4D32.8Very low70.6Confident166 Ų16685.8 Ų85.889%0.88846%0.455SS*.  trans20.879146.7-63.6-20.1000116.2A6D4-A6 PolarHBondContact O-N 2.84Å
5R39.8Very low72.3Confident240 Ų24081.4 Ų81.491%0.90643%0.434SS*.  trans-72.293.2150.6-74.3-172.8-173.91802.3105.6S3 E7S3-R5 PolarHBondContact O-N 3.2Å; S3-R5 VanDerWaalsContact O-N 3.14Å; R5-E7 PolarHBondContact O-N 3.4Å; R5-E7 VanDerWaalsContact O-N 3.1Å
6A56.1Low73.8Confident75 Ų7576.5 Ų76.562%0.6241%0.408SS*.  trans-46.1123.8158.300000106.8D4 T8D4-A6 PolarHBondContact O-N 2.84Å; A6-T8 PolarHBondContact O-N 3.14Å; A6-T8 VanDerWaalsContact O-N 3.09Å
7E77.9Confident74.9Confident161 Ų16176.4 Ų76.475%0.75240%0.401SS*.  trans-57.8117.5-169.2-164.5165.9-164.800109.4R5 K9R5-E7 PolarHBondContact O-N 3.4Å; R5-E7 VanDerWaalsContact O-N 3.1Å; E7-K9 PolarHBondContact O-N 3.04Å
8T93.3Very high76Confident55 Ų5576.1 Ų76.134%0.33740%0.4SS..  trans-73.7113-175.6-59.40000109.3A6 Y10 F96A6-T8 PolarHBondContact O-N 3.14Å; A6-T8 VanDerWaalsContact O-N 3.09Å; T8-Y10 HydrophobicContact CG2-CE1 4.35Å; T8-Y10 HydrophobicContact CG2-CE2 3.83Å; T8-F96 HydrophobicContact CG2-CD2 3.6Å; T8-F96 HydrophobicContact CG2-CE2 3.66Å
9K97.1Very high76.9Confident40 Ų4073.1 Ų73.117%0.17438%0.384CS..EExtended strand (participates in β ladder)trans-107.3141.2175.1-174.7175.4-176.2-168.80112.2E7 D40 E42 T93 G94 N95 F96E7-K9 PolarHBondContact O-N 3.04Å; K9-D40 WeakPolarHBondContact CA-O 3.12Å; K9-D40 HydrophobicContact CB-CB 4.46Å; K9-D40 WeakPolarHBondContact CB-OD2 3.5Å; K9-D40 WeakPolarHBondContact CD-OD2 3.41Å; K9-D40 HydrophobicContact CG-CB 4.48Å; K9-D40 VanDerWaalsContact CG-OD2 3.28Å; K9-D40 WeakPolarHBondContact CG-OD2 3.4Å; K9-E42 WeakPolarHBondContact CE-OE2 3.48Å; K9-E42 IonicContact NZ-OE2 2.73Å; K9-E42 PolarHBondContact NZ-OE2 3.26Å; K9-T93 WeakPolarHBondContact CE-OG1 3.33Å; K9-T93 PolarHBondContact NZ-OG1 3.1Å; K9-G94 CarbonylContact O-C 3.5Å; K9-G94 WeakPolarHBondContact O-CA 3.4Å; K9-N95 PolarHBondContact O-N 2.88Å; K9-F96 PolarHBondContact O-N 3.21Å
10Y98.5Very high77.8Confident6 Ų675.3 Ų75.32%0.02439%0.387CS..EExtended strand (participates in β ladder)trans-109.8121.6178.4-60.8-87000111.5T8 M34 L39 D40 Y41 E42 F96 F98 I115 L172T8-Y10 HydrophobicContact CG2-CE1 4.35Å; T8-Y10 HydrophobicContact CG2-CE2 3.83Å; Y10-M34 HydrophobicContact CD2-CE 3.94Å; Y10-M34 HydrophobicContact CG-CE 4.13Å; Y10-L39 HydrophobicContact CE2-CD2 4.07Å; Y10-D40 WeakPolarHBondContact CD2-O 3.41Å; Y10-D40 PolarHBondContact N-O 3.2Å; Y10-Y41 CarbonylContact O-C 3.57Å; Y10-Y41 WeakPolarHBondContact O-CA 3.36Å; Y10-Y41 WeakPolarHBondContact O-CB 3.24Å; Y10-E42 PolarHBondContact O-N 3.08Å; Y10-F96 WeakPolarHBondContact CA-O 3.42Å; Y10-F96 HydrophobicContact CD1-CB 3.51Å; Y10-F96 HydrophobicContact CD1-CD2 4.32Å; Y10-F96 HydrophobicContact CD1-CG 4.17Å; Y10-F96 HydrophobicContact CE1-CB 3.71Å; Y10-F96 AromaticContact CE1-CD2 3.76Å; Y10-F96 HydrophobicContact CE1-CD2 3.76Å; Y10-F96 AromaticContact CE1-CG 3.84Å; Y10-F96 HydrophobicContact CE1-CG 3.84Å; Y10-F98 HydrophobicContact CD1-CD2 4.44Å; Y10-F98 AromaticContact CD1-CE2 3.91Å; Y10-F98 HydrophobicContact CD1-CE2 3.91Å; Y10-F98 HydrophobicContact CG-CE2 4.4Å; Y10-I115 HydrophobicContact CD1-CD1 3.99Å; Y10-I115 HydrophobicContact CD1-CG1 4.06Å; Y10-I115 HydrophobicContact CD2-CD1 4.02Å; Y10-I115 HydrophobicContact CE1-CD1 3.8Å; Y10-I115 HydrophobicContact CE1-CG1 3.55Å; Y10-I115 HydrophobicContact CE1-CG2 4.38Å; Y10-I115 HydrophobicContact CE2-CD1 3.81Å; Y10-I115 HydrophobicContact CE2-CG1 4.34Å; Y10-I115 HydrophobicContact CE2-CG2 4.49Å; Y10-I115 HydrophobicContact CG-CD1 4.12Å; Y10-I115 VanDerWaalsContact OH-CG2 3.24Å; Y10-I115 WeakPolarHBondContact OH-CG2 3.22Å; Y10-L172 HydrophobicContact CD1-CD1 4.26Å
11S98.7Very high78.5Confident0 Ų077.7 Ų77.70%040%0.396CS..EExtended strand (participates in β ladder)trans-94.9125.7172.4-55.70000110.2E42 T93 G94 F96 V97 F98S11-E42 WeakPolarHBondContact CB-OE1 3.5Å; S11-E42 PolarHBondContact OG-OE1 3.11Å; S11-T93 PolarHBondContact OG-N 2.71Å; S11-G94 WeakPolarHBondContact OG-CA 3.29Å; S11-G94 PolarHBondContact OG-N 2.98Å; S11-F96 PolarHBondContact N-O 2.9Å; S11-V97 CarbonylContact O-C 3.52Å; S11-V97 VanDerWaalsContact O-CA 3.29Å; S11-V97 WeakPolarHBondContact O-CA 3.32Å; S11-F98 PolarHBondContact O-N 3.2Å
12I98.7Very high81.4Confident0 Ų065.7 Ų65.70%034%0.337CS..EExtended strand (participates in β ladder)trans-108.5108.7-178.3-56.9165.3000109L14 I30 M34 Y41 E42 V43 I44 F98 M100 L111I12-L14 HydrophobicContact CG2-CD2 4.11Å; I12-L14 HydrophobicContact CG2-CG 4.35Å; I12-I30 HydrophobicContact CD1-CG2 3.38Å; I12-I30 HydrophobicContact CG2-CD1 4.16Å; I12-M34 HydrophobicContact CD1-CG 4.42Å; I12-Y41 HydrophobicContact CD1-CD2 4.42Å; I12-E42 PolarHBondContact N-O 3.24Å; I12-V43 HydrophobicContact CB-CG2 4.46Å; I12-V43 HydrophobicContact CD1-CG2 4.45Å; I12-V43 WeakPolarHBondContact O-CA 3.36Å; I12-I44 PolarHBondContact O-N 3.41Å; I12-F98 HydrophobicContact CB-CB 4.31Å; I12-F98 HydrophobicContact CG1-CB 4.03Å; I12-F98 HydrophobicContact CG1-CD2 4.03Å; I12-F98 HydrophobicContact CG1-CG 4.4Å; I12-F98 HydrophobicContact CG2-CB 4.19Å; I12-M100 HydrophobicContact CG2-CG 4.07Å; I12-M100 HydrophobicContact CG2-SD 3.79Å; I12-L111 HydrophobicContact CD1-CD1 4Å
13L98.3Very high84.3Confident1 Ų160.5 Ų60.51%0.00530%0.301CS..EExtended strand (participates in β ladder)trans-86.3119179.9-52.9-170.9000110.3I44 Y85 V97 F98 I99 M100L13-I44 HydrophobicContact CD2-CB 3.74Å; L13-I44 HydrophobicContact CD2-CD1 3.78Å; L13-I44 HydrophobicContact CD2-CG1 4.21Å; L13-I44 HydrophobicContact CD2-CG2 4.19Å; L13-Y85 HydrophobicContact CB-CD1 4.17Å; L13-Y85 HydrophobicContact CD1-CD1 4.26Å; L13-V97 HydrophobicContact CD1-CG1 3.7Å; L13-V97 HydrophobicContact CD2-CG1 4.38Å; L13-V97 HydrophobicContact CG-CG1 3.66Å; L13-F98 PolarHBondContact N-O 3.37Å; L13-I99 HydrophobicContact CD1-CG1 4.42Å; L13-M100 PolarHBondContact O-N 3.1Å
14L97.7Very high87.4Confident0 Ų058 Ų580%029%0.285CS..EExtended strand (participates in β ladder)trans-115.297.7176.8-62.7-174.9000109.8I12 T16 L23 I27 I30 V43 I44 V45 V46 M100 A102I12-L14 HydrophobicContact CG2-CD2 4.11Å; I12-L14 HydrophobicContact CG2-CG 4.35Å; L14-T16 PolarHBondContact O-N 2.95Å; L14-L23 HydrophobicContact CD1-CD1 4.01Å; L14-I27 HydrophobicContact CD1-CG1 4.15Å; L14-I30 HydrophobicContact CD1-CD1 3.89Å; L14-I30 HydrophobicContact CD2-CD1 4.41Å; L14-V43 HydrophobicContact CD1-CG1 3.48Å; L14-V43 VanDerWaalsContact CD1-CG1 3.48Å; L14-V43 HydrophobicContact CG-CG1 3.91Å; L14-I44 PolarHBondContact N-O 3.24Å; L14-V45 WeakPolarHBondContact O-CA 3.4Å; L14-V46 PolarHBondContact O-N 3.27Å; L14-M100 HydrophobicContact CD2-CG 3.38Å; L14-M100 HydrophobicContact CD2-SD 4.07Å; L14-A102 HydrophobicContact CB-CB 4.43Å
15P95.6Very high90.4Very high20 Ų2053 Ų5313%0.1326%0.261CS..EExtended strand (participates in β ladder)trans-74.1125.8172.631.6-31.3000109.1V46 L81 A84 Y85 M100P15-V46 WeakPolarHBondContact CA-O 3.34Å; P15-L81 HydrophobicContact CB-CD1 3.96Å; P15-L81 HydrophobicContact CG-CD1 3.72Å; P15-A84 HydrophobicContact CB-CB 3.92Å; P15-Y85 HydrophobicContact CB-CE1 4.32Å; P15-Y85 HydrophobicContact CG-CE1 3.58Å; P15-M100 VanDerWaalsContact CD-O 3.3Å; P15-M100 WeakPolarHBondContact CD-O 3.38Å
16T95.5Very high93.2Very high3 Ų341.5 Ų41.52%0.01822%0.217CC..EExtended strand (participates in β ladder)trans-122.8140.8-176.158.10000112.3L14 E19 L23 V45 V46 D47 D48 T54 A102L14-T16 PolarHBondContact O-N 2.95Å; T16-E19 HydrophobicContact CG2-CB 4.14Å; T16-E19 HydrophobicContact CG2-CG 4.34Å; T16-L23 HydrophobicContact CG2-CD1 4.13Å; T16-L23 HydrophobicContact CG2-CD2 4.4Å; T16-V45 HydrophobicContact CG2-CG1 3.75Å; T16-V46 PolarHBondContact N-O 3.28Å; T16-D47 VanDerWaalsContact OG1-CA 3.28Å; T16-D47 WeakPolarHBondContact OG1-CA 3.45Å; T16-D47 WeakPolarHBondContact OG1-CB 3.49Å; T16-D47 PolarHBondContact OG1-OD1 3.36Å; T16-D48 PolarHBondContact O-N 3.17Å; T16-T54 HydrophobicContact CG2-CG2 4.42Å; T16-A102 HydrophobicContact CG2-CB 3.81Å
17Y94Very high95.2Very high74 Ų7438 Ų3829%0.2919%0.188SC..SBendtrans-152.3118.2158.9-177-89.1000110.3D48 S50 K78Y17-D48 HydrophobicContact CD2-CB 3.76Å; Y17-D48 WeakPolarHBondContact CD2-O 3.5Å; Y17-D48 HydrophobicContact CG-CB 4.5Å; Y17-S50 VanDerWaalsContact CA-OG 3.27Å; Y17-S50 WeakPolarHBondContact CA-OG 3.44Å; Y17-K78 HydrophobicContact CD1-CD 4.48Å; Y17-K78 HydrophobicContact CD2-CD 4.15Å; Y17-K78 HydrophobicContact CD2-CG 3.87Å; Y17-K78 HydrophobicContact CE2-CD 4.25Å; Y17-K78 VanDerWaalsContact CE2-CE 3.4Å; Y17-K78 HydrophobicContact CE2-CG 4.03Å; Y17-K78 HydrophobicContact CG-CD 4.23Å; Y17-K78 HydrophobicContact CG-CG 4.36Å; Y17-K78 VanDerWaalsContact CG-NZ 3.27Å
18N94.1Very high96.1Very high72 Ų7235.5 Ų35.539%0.38518%0.175SC..SBendtrans55.952.1-172.4-64.5-7.7000112.9S50 P51 D52N18-S50 PolarHBondContact N-OG 2.86Å; N18-P51 WeakPolarHBondContact OD1-CD 3.43Å; N18-D52 VanDerWaalsContact CA-CG 3.48Å; N18-D52 WeakPolarHBondContact CA-OD2 3.47Å
19E93.6Very high96.3Very high19 Ų1934.2 Ų34.29%0.08917%0.166CC..  trans-115.319.8-176.7-63.7-64.7167.400112.2T16 E21 N22 L23 D52 T54 A102T16-E19 HydrophobicContact CG2-CB 4.14Å; T16-E19 HydrophobicContact CG2-CG 4.34Å; E19-E21 VanDerWaalsContact C-N 3.25Å; E19-E21 PolarHBondContact O-N 2.83Å; E19-E21 VanDerWaalsContact O-N 3.14Å; E19-N22 PolarHBondContact O-N 2.91Å; E19-N22 VanDerWaalsContact O-N 3.11Å; E19-N22 PolarHBondContact OE2-ND2 3.42Å; E19-L23 VanDerWaalsContact O-CB 3.27Å; E19-L23 WeakPolarHBondContact O-CB 3.17Å; E19-L23 PolarHBondContact O-N 3.38Å; E19-D52 PolarHBondContact N-OD2 3.13Å; E19-T54 PolarHBondContact N-OG1 3.43Å; E19-T54 VanDerWaalsContact N-OG1 3.11Å; E19-A102 HydrophobicContact CB-CB 4.49Å; E19-A102 HydrophobicContact CG-CB 4.39Å
20R94Very high96.4Very high117 Ų11732.3 Ų32.344%0.44216%0.158SC..Hα-helixtrans-48.8-45.1-175.8-175.1-154.4-175.596.13.3112.9D52 T54 V57R20-D52 HydrophobicContact CB-CB 4.48Å; R20-D52 WeakPolarHBondContact CB-OD2 3.38Å; R20-D52 VanDerWaalsContact CD-O 3.27Å; R20-D52 WeakPolarHBondContact CD-O 3.29Å; R20-D52 PolarHBondContact N-OD2 3.21Å; R20-D52 PolarHBondContact NH1-O 3.13Å; R20-T54 PolarHBondContact N-OG1 3.31Å; R20-V57 HydrophobicContact CB-CG2 4.48Å; R20-V57 HydrophobicContact CG-CG2 3.52Å
21E92.9Very high96.4Very high125 Ų12533.8 Ų33.858%0.58417%0.166SC*.Hα-helixtrans-74.2-35.1-175.6-63.7-179.3156.700112.8E19 F219E19-E21 VanDerWaalsContact C-N 3.25Å; E19-E21 PolarHBondContact O-N 2.83Å; E19-E21 VanDerWaalsContact O-N 3.14Å; E21-F219 HydrophobicContact CB-CB 4.1Å; E21-F219 HydrophobicContact CB-CD2 3.85Å; E21-F219 HydrophobicContact CB-CE2 4.5Å; E21-F219 HydrophobicContact CB-CG 3.98Å; E21-F219 VanDerWaalsContact OE2-CB 3.3Å; E21-F219 WeakPolarHBondContact OE2-CB 3.36Å; E21-F219 WeakPolarHBondContact OE2-CG 3.5Å
22N94.9Very high96.3Very high3 Ų337.8 Ų37.82%0.01618%0.183CC..Hα-helixtrans-83.1-36.1-177.1-64.4-52.1000112.2E19 A24 V25 C26 A102 F219E19-N22 PolarHBondContact O-N 2.91Å; E19-N22 VanDerWaalsContact O-N 3.11Å; E19-N22 PolarHBondContact OE2-ND2 3.42Å; N22-A24 PolarHBondContact O-N 3.48Å; N22-V25 PolarHBondContact O-N 3.36Å; N22-C26 WeakPolarHBondContact O-CB 3.37Å; N22-C26 PolarHBondContact O-N 2.96Å; N22-A102 VanDerWaalsContact CB-O 3.31Å; N22-A102 WeakPolarHBondContact CB-O 3.49Å; N22-F219 PolarHBondContact ND2-O 3.4Å; N22-F219 VanDerWaalsContact OD1-CD2 3.27Å; N22-F219 WeakPolarHBondContact OD1-CD2 3.42Å; N22-F219 PolarHBondContact OD1-N 2.84Å
23L95.9Very high96.3Very high0 Ų039 Ų390%019%0.189CC..Hα-helixtrans-63-42-164.3-175.360.5000113.6L14 T16 E19 V25 C26 I27 V45 T54 V57 V58 A102L14-L23 HydrophobicContact CD1-CD1 4.01Å; T16-L23 HydrophobicContact CG2-CD1 4.13Å; T16-L23 HydrophobicContact CG2-CD2 4.4Å; E19-L23 VanDerWaalsContact O-CB 3.27Å; E19-L23 WeakPolarHBondContact O-CB 3.17Å; E19-L23 PolarHBondContact O-N 3.38Å; L23-V25 PolarHBondContact O-N 2.98Å; L23-C26 PolarHBondContact O-N 3.23Å; L23-I27 HydrophobicContact CD1-CD1 3.78Å; L23-I27 HydrophobicContact CD1-CG1 4.17Å; L23-I27 HydrophobicContact CG-CD1 4.02Å; L23-I27 PolarHBondContact O-N 3.34Å; L23-V45 HydrophobicContact CD1-CG2 4.28Å; L23-V45 HydrophobicContact CD2-CG1 4.08Å; L23-T54 HydrophobicContact CD2-CG2 3.67Å; L23-V57 HydrophobicContact CB-CG1 4.48Å; L23-V58 HydrophobicContact CD2-CG2 3.5Å; L23-A102 HydrophobicContact CD1-CB 4.34Å
24A95.7Very high96.3Very high40 Ų4038.9 Ų38.933%0.33119%0.188SC..Hα-helixtrans-62.4-43.5178.300000112N22 F28 V57 L61N22-A24 PolarHBondContact O-N 3.48Å; A24-F28 WeakPolarHBondContact O-CB 3.49Å; A24-F28 PolarHBondContact O-N 2.72Å; A24-V57 HydrophobicContact CB-CG1 4.09Å; A24-L61 HydrophobicContact CB-CD2 4.43Å
25V96.5Very high96.2Very high61 Ų6141.7 Ų41.737%0.3721%0.208SC..Hα-helixtrans-67.8-41.3177.3-176.90000110.6N22 L23 F28 L29 L104N22-V25 PolarHBondContact O-N 3.36Å; L23-V25 PolarHBondContact O-N 2.98Å; V25-F28 PolarHBondContact O-N 2.74Å; V25-L29 HydrophobicContact CG1-CD1 4.06Å; V25-L29 HydrophobicContact CG1-CG 4.43Å; V25-L29 WeakPolarHBondContact O-CB 3.4Å; V25-L29 VanDerWaalsContact O-CG 3.31Å; V25-L29 WeakPolarHBondContact O-CG 3.5Å; V25-L29 PolarHBondContact O-N 3.06Å; V25-L104 HydrophobicContact CB-CD1 4.14Å; V25-L104 HydrophobicContact CG1-CD1 3.82Å
26C97.3Very high96.3Very high0 Ų046.1 Ų46.10%023%0.227CC..Hα-helixtrans-59.7-51.2177.2-171.20000111.6N22 L23 F28 L29 I30 L104N22-C26 WeakPolarHBondContact O-CB 3.37Å; N22-C26 PolarHBondContact O-N 2.96Å; L23-C26 PolarHBondContact O-N 3.23Å; C26-F28 PolarHBondContact O-N 2.6Å; C26-L29 PolarHBondContact O-N 2.94Å; C26-I30 VanDerWaalsContact O-CG1 3.31Å; C26-I30 WeakPolarHBondContact O-CG1 3.4Å; C26-I30 PolarHBondContact O-N 2.71Å; C26-L104 HydrophobicContact CB-CD2 3.81Å; C26-L104 HydrophobicContact CB-CG 4.49Å
27I98Very high96.3Very high1 Ų150.9 Ų50.91%0.00525%0.249CC..Hα-helixtrans-64.9-39.2179-73.2175.3000111.6L14 L23 L29 I30 N31 V43 V45 L61 Y65 I70L14-I27 HydrophobicContact CD1-CG1 4.15Å; L23-I27 HydrophobicContact CD1-CD1 3.78Å; L23-I27 HydrophobicContact CD1-CG1 4.17Å; L23-I27 HydrophobicContact CG-CD1 4.02Å; L23-I27 PolarHBondContact O-N 3.34Å; I27-L29 VanDerWaalsContact C-N 3.35Å; I27-L29 PolarHBondContact O-N 3.05Å; I27-I30 PolarHBondContact O-N 2.87Å; I27-N31 WeakPolarHBondContact O-CB 3.49Å; I27-N31 PolarHBondContact O-N 3.48Å; I27-V43 HydrophobicContact CD1-CG1 4.22Å; I27-V43 HydrophobicContact CG1-CG1 4.16Å; I27-V45 HydrophobicContact CD1-CG2 3.98Å; I27-L61 HydrophobicContact CB-CD1 4.11Å; I27-L61 HydrophobicContact CD1-CD1 3.55Å; I27-L61 HydrophobicContact CG1-CD1 4.33Å; I27-L61 HydrophobicContact CG2-CD1 4.29Å; I27-L61 HydrophobicContact CG2-CD2 4.39Å; I27-Y65 HydrophobicContact CG2-CD2 3.94Å; I27-Y65 HydrophobicContact CG2-CE2 3.79Å; I27-I70 HydrophobicContact CD1-CD1 4.46Å; I27-I70 HydrophobicContact CD1-CG2 4.27Å; I27-I70 HydrophobicContact CG2-CD1 3.64Å
28F97.7Very high96.4Very high109 Ų10954.8 Ų54.848%0.47828%0.275SS..Hα-helixtrans-57.3-47.5172.9167.8-97.8000111.9A24 V25 C26 N31 K32A24-F28 WeakPolarHBondContact O-CB 3.49Å; A24-F28 PolarHBondContact O-N 2.72Å; V25-F28 PolarHBondContact O-N 2.74Å; C26-F28 PolarHBondContact O-N 2.6Å; F28-N31 PolarHBondContact O-N 3.07Å; F28-K32 WeakPolarHBondContact O-CB 3.5Å; F28-K32 PolarHBondContact O-N 3.45Å
29L98Very high96.5Very high27 Ų2753.1 Ų53.114%0.14127%0.265CS..Hα-helixtrans-68.2-36.8179.6-71174.3000112.3V25 C26 I27 K32 H33 L104 P108V25-L29 HydrophobicContact CG1-CD1 4.06Å; V25-L29 HydrophobicContact CG1-CG 4.43Å; V25-L29 WeakPolarHBondContact O-CB 3.4Å; V25-L29 VanDerWaalsContact O-CG 3.31Å; V25-L29 WeakPolarHBondContact O-CG 3.5Å; V25-L29 PolarHBondContact O-N 3.06Å; C26-L29 PolarHBondContact O-N 2.94Å; I27-L29 VanDerWaalsContact C-N 3.35Å; I27-L29 PolarHBondContact O-N 3.05Å; L29-K32 PolarHBondContact O-N 3.07Å; L29-H33 PolarHBondContact O-CD2 2.77Å; L29-H33 PolarHBondContact O-N 3.02Å; L29-L104 HydrophobicContact CD1-CD2 3.9Å; L29-P108 HydrophobicContact CB-CB 4.06Å; L29-P108 HydrophobicContact CB-CG 3.8Å
30I98.4Very high96.7Very high0 Ų055 Ų550%028%0.276CS..Hα-helixtrans-58.7-55.4171.4-70.9165.1000109.5I12 L14 C26 I27 K32 H33 M34 Y41 V43 M100 P108 L111I12-I30 HydrophobicContact CD1-CG2 3.38Å; I12-I30 HydrophobicContact CG2-CD1 4.16Å; L14-I30 HydrophobicContact CD1-CD1 3.89Å; L14-I30 HydrophobicContact CD2-CD1 4.41Å; C26-I30 VanDerWaalsContact O-CG1 3.31Å; C26-I30 WeakPolarHBondContact O-CG1 3.4Å; C26-I30 PolarHBondContact O-N 2.71Å; I27-I30 PolarHBondContact O-N 2.87Å; I30-K32 VanDerWaalsContact C-N 3.29Å; I30-K32 PolarHBondContact O-N 3.04Å; I30-H33 PolarHBondContact O-N 3.42Å; I30-M34 HydrophobicContact CG2-CG 4.15Å; I30-M34 WeakPolarHBondContact O-CB 3.16Å; I30-M34 VanDerWaalsContact O-CG 3.29Å; I30-M34 WeakPolarHBondContact O-CG 3.43Å; I30-M34 PolarHBondContact O-N 2.96Å; I30-Y41 HydrophobicContact CG2-CD2 4.25Å; I30-Y41 HydrophobicContact CG2-CE2 4.15Å; I30-V43 HydrophobicContact CD1-CG2 4.38Å; I30-V43 HydrophobicContact CG2-CG2 3.81Å; I30-M100 HydrophobicContact CD1-SD 4.35Å; I30-P108 HydrophobicContact CB-CB 4.49Å; I30-P108 HydrophobicContact CG1-CB 3.76Å; I30-P108 HydrophobicContact CG1-CG 3.72Å; I30-L111 HydrophobicContact CG1-CD1 4.14Å; I30-L111 HydrophobicContact CG2-CD1 4.29Å
31N98.1Very high96.9Very high37 Ų3750.1 Ų50.120%0.19826%0.258CS..Hα-helixtrans-55.5-45.7179.6173.595.5000111.5I27 F28 S35 Y41 Y65I27-N31 WeakPolarHBondContact O-CB 3.49Å; I27-N31 PolarHBondContact O-N 3.48Å; F28-N31 PolarHBondContact O-N 3.07Å; N31-S35 WeakPolarHBondContact O-CB 3.35Å; N31-S35 PolarHBondContact O-N 3.37Å; N31-S35 PolarHBondContact O-OG 3.41Å; N31-Y41 WeakPolarHBondContact CA-OH 2.95Å; N31-Y41 VanDerWaalsContact CB-OH 3.31Å; N31-Y41 WeakPolarHBondContact CB-OH 3.19Å; N31-Y41 VanDerWaalsContact CG-OH 3.3Å; N31-Y41 PolarHBondContact OD1-OH 3.1Å; N31-Y65 HydrophobicContact CB-CD1 4.26Å; N31-Y65 HydrophobicContact CB-CE1 3.76Å; N31-Y65 VanDerWaalsContact OD1-CD1 3.32Å; N31-Y65 WeakPolarHBondContact OD1-CD1 3.46Å; N31-Y65 WeakPolarHBondContact OD1-CE1 3.37Å
32K98.1Very high97.1Very high84 Ų8444.3 Ų44.337%0.36523%0.231SC..Hα-helixtrans-54-57.6177.4178.3-176.2176-178.40111.1F28 L29 I30 S35 E36F28-K32 WeakPolarHBondContact O-CB 3.5Å; F28-K32 PolarHBondContact O-N 3.45Å; L29-K32 PolarHBondContact O-N 3.07Å; I30-K32 VanDerWaalsContact C-N 3.29Å; I30-K32 PolarHBondContact O-N 3.04Å; K32-S35 PolarHBondContact O-N 3.21Å; K32-E36 WeakPolarHBondContact CE-OE1 3.35Å; K32-E36 HydrophobicContact CG-CG 4.42Å; K32-E36 WeakPolarHBondContact CG-OE1 3.32Å; K32-E36 VanDerWaalsContact O-CB 3.31Å; K32-E36 WeakPolarHBondContact O-CB 3.49Å; K32-E36 WeakPolarHBondContact O-CG 3.31Å; K32-E36 PolarHBondContact O-N 2.96Å
33H98.2Very high97.3Very high25 Ų2544.1 Ų44.112%0.11623%0.23CC..Hα-helixtrans-72.3-31.4-173.7-70.1-56.5000113.6L29 I30 E36 H37 H107 K109 P112L29-H33 PolarHBondContact O-CD2 2.77Å; L29-H33 PolarHBondContact O-N 3.02Å; I30-H33 PolarHBondContact O-N 3.42Å; H33-E36 IonicContact ND1-OE2 3.33Å; H33-H37 PolarHBondContact O-CD2 2.87Å; H33-H107 AromaticContact NE2-CE1 3.92Å; H33-K109 VanDerWaalsContact CD2-CA 3.41Å; H33-K109 WeakPolarHBondContact CD2-CA 3.28Å; H33-K109 PolarHBondContact CD2-N 3.38Å; H33-K109 WeakPolarHBondContact NE2-CA 3.34Å; H33-K109 WeakPolarHBondContact NE2-CB 3.5Å; H33-P112 HydrophobicContact CB-CG 4.38Å
34M97.6Very high97.4Very high0 Ų044.1 Ų44.10%023%0.23CC..Hα-helixtrans-73.1-42175.1-62.8-59.3-76.600111.4Y10 I12 I30 H37 N38 L39 Y41 L111 I115Y10-M34 HydrophobicContact CD2-CE 3.94Å; Y10-M34 HydrophobicContact CG-CE 4.13Å; I12-M34 HydrophobicContact CD1-CG 4.42Å; I30-M34 HydrophobicContact CG2-CG 4.15Å; I30-M34 WeakPolarHBondContact O-CB 3.16Å; I30-M34 VanDerWaalsContact O-CG 3.29Å; I30-M34 WeakPolarHBondContact O-CG 3.43Å; I30-M34 PolarHBondContact O-N 2.96Å; M34-H37 CarbonylContact O-C 3.27Å; M34-H37 PolarHBondContact O-N 2.73Å; M34-N38 PolarHBondContact O-N 3.09Å; M34-L39 HydrophobicContact CB-CB 4.47Å; M34-L39 HydrophobicContact CE-CB 3.59Å; M34-L39 HydrophobicContact CE-CD1 3.97Å; M34-L39 HydrophobicContact CE-CG 4.42Å; M34-L39 PolarHBondContact O-N 3.4Å; M34-L39 HydrophobicContact SD-CB 4.32Å; M34-L39 HydrophobicContact SD-CD1 3.85Å; M34-Y41 HydrophobicContact CB-CD1 3.35Å; M34-Y41 HydrophobicContact CB-CE1 3.55Å; M34-Y41 HydrophobicContact CB-CG 3.93Å; M34-Y41 HydrophobicContact CE-CD1 4.45Å; M34-Y41 HydrophobicContact CE-CG 4.22Å; M34-Y41 HydrophobicContact CG-CD1 3.93Å; M34-Y41 HydrophobicContact CG-CD2 4.42Å; M34-Y41 HydrophobicContact CG-CE1 4.36Å; M34-Y41 HydrophobicContact CG-CG 3.96Å; M34-L111 HydrophobicContact CG-CD1 4.35Å; M34-L111 HydrophobicContact SD-CB 4.08Å; M34-L111 HydrophobicContact SD-CD1 4.11Å; M34-I115 HydrophobicContact CE-CD1 4.14Å; M34-I115 HydrophobicContact SD-CD1 4.38Å
35S96.2Very high97.6Very high59 Ų5942.2 Ų42.241%0.41321%0.214SC..Hα-helixtrans-69.8-42.4179.8-56.50000112.6N31 K32 H37 N38N31-S35 WeakPolarHBondContact O-CB 3.35Å; N31-S35 PolarHBondContact O-N 3.37Å; N31-S35 PolarHBondContact O-OG 3.41Å; K32-S35 PolarHBondContact O-N 3.21Å; S35-H37 PolarHBondContact O-N 2.97Å; S35-H37 VanDerWaalsContact O-N 3.1Å; S35-N38 PolarHBondContact O-N 2.75Å
36E97.1Very high97.6Very high113 Ų11339.4 Ų39.453%0.52820%0.197SC..Hα-helixtrans-56.6-26.8175.8-78.4171.8172.100112.4K32 H33K32-E36 WeakPolarHBondContact CE-OE1 3.35Å; K32-E36 HydrophobicContact CG-CG 4.42Å; K32-E36 WeakPolarHBondContact CG-OE1 3.32Å; K32-E36 VanDerWaalsContact O-CB 3.31Å; K32-E36 WeakPolarHBondContact O-CB 3.49Å; K32-E36 WeakPolarHBondContact O-CG 3.31Å; K32-E36 PolarHBondContact O-N 2.96Å; H33-E36 IonicContact ND1-OE2 3.33Å
37H96.5Very high97.7Very high102 Ų10239.4 Ų39.447%0.47220%0.197SC..THydrogen-bonded Turntrans-1035.2179.6-73.6-97.2000114H33 M34 S35 L39H33-H37 PolarHBondContact O-CD2 2.87Å; M34-H37 CarbonylContact O-C 3.27Å; M34-H37 PolarHBondContact O-N 2.73Å; S35-H37 PolarHBondContact O-N 2.97Å; S35-H37 VanDerWaalsContact O-N 3.1Å; H37-L39 VanDerWaalsContact C-N 3.32Å; H37-L39 HydrophobicContact CB-CD1 3.69Å; H37-L39 HydrophobicContact CB-CG 3.87Å; H37-L39 PolarHBondContact O-N 2.99Å
38N95.9Very high97.6Very high156 Ų15640 Ų4083%0.83420%0.2SC*.THydrogen-bonded Turntrans52.744.2-176.8-54.9-71.4000113.5M34 S35M34-N38 PolarHBondContact O-N 3.09Å; S35-N38 PolarHBondContact O-N 2.75Å
39L96.1Very high97.5Very high37 Ų3739.4 Ų39.419%0.19420%0.202CC..  trans-98.9131.4179.8-62.7165.5000110Y10 M34 H37 Y41 I115Y10-L39 HydrophobicContact CE2-CD2 4.07Å; M34-L39 HydrophobicContact CB-CB 4.47Å; M34-L39 HydrophobicContact CE-CB 3.59Å; M34-L39 HydrophobicContact CE-CD1 3.97Å; M34-L39 HydrophobicContact CE-CG 4.42Å; M34-L39 PolarHBondContact O-N 3.4Å; M34-L39 HydrophobicContact SD-CB 4.32Å; M34-L39 HydrophobicContact SD-CD1 3.85Å; H37-L39 VanDerWaalsContact C-N 3.32Å; H37-L39 HydrophobicContact CB-CD1 3.69Å; H37-L39 HydrophobicContact CB-CG 3.87Å; H37-L39 PolarHBondContact O-N 2.99Å; L39-Y41 WeakPolarHBondContact O-CD1 3.32Å; L39-I115 HydrophobicContact CD1-CD1 3.5Å; L39-I115 HydrophobicContact CD2-CD1 4.26Å; L39-I115 HydrophobicContact CD2-CG2 4.38Å; L39-I115 HydrophobicContact CG-CD1 4.42Å
40D96.9Very high97.4Very high59 Ų5938.5 Ų38.532%0.31620%0.198SC..EExtended strand (participates in β ladder)trans-76.8132.9173.3-176.627.5000111K9 Y10K9-D40 WeakPolarHBondContact CA-O 3.12Å; K9-D40 HydrophobicContact CB-CB 4.46Å; K9-D40 WeakPolarHBondContact CB-OD2 3.5Å; K9-D40 WeakPolarHBondContact CD-OD2 3.41Å; K9-D40 HydrophobicContact CG-CB 4.48Å; K9-D40 VanDerWaalsContact CG-OD2 3.28Å; K9-D40 WeakPolarHBondContact CG-OD2 3.4Å; Y10-D40 WeakPolarHBondContact CD2-O 3.41Å; Y10-D40 PolarHBondContact N-O 3.2Å
41Y98Very high97.2Very high14 Ų1443.4 Ų43.46%0.05523%0.23CC..EExtended strand (participates in β ladder)trans-153.7161.7-17475.1-81.1000114Y10 I12 I30 N31 M34 L39 V43 N69Y10-Y41 CarbonylContact O-C 3.57Å; Y10-Y41 WeakPolarHBondContact O-CA 3.36Å; Y10-Y41 WeakPolarHBondContact O-CB 3.24Å; I12-Y41 HydrophobicContact CD1-CD2 4.42Å; I30-Y41 HydrophobicContact CG2-CD2 4.25Å; I30-Y41 HydrophobicContact CG2-CE2 4.15Å; N31-Y41 WeakPolarHBondContact CA-OH 2.95Å; N31-Y41 VanDerWaalsContact CB-OH 3.31Å; N31-Y41 WeakPolarHBondContact CB-OH 3.19Å; N31-Y41 VanDerWaalsContact CG-OH 3.3Å; N31-Y41 PolarHBondContact OD1-OH 3.1Å; M34-Y41 HydrophobicContact CB-CD1 3.35Å; M34-Y41 HydrophobicContact CB-CE1 3.55Å; M34-Y41 HydrophobicContact CB-CG 3.93Å; M34-Y41 HydrophobicContact CE-CD1 4.45Å; M34-Y41 HydrophobicContact CE-CG 4.22Å; M34-Y41 HydrophobicContact CG-CD1 3.93Å; M34-Y41 HydrophobicContact CG-CD2 4.42Å; M34-Y41 HydrophobicContact CG-CE1 4.36Å; M34-Y41 HydrophobicContact CG-CG 3.96Å; L39-Y41 WeakPolarHBondContact O-CD1 3.32Å; Y41-V43 HydrophobicContact CD2-CG2 4.08Å; Y41-V43 HydrophobicContact CE2-CG2 4.06Å; Y41-N69 PolarHBondContact O-ND2 3.02Å
42E98.4Very high97.1Very high3 Ų343.9 Ų43.91%0.01423%0.232CC..EExtended strand (participates in β ladder)trans-136.2151.2163.566-168.9-179.400109.9K9 Y10 S11 I12 I44 N69 L71 A92 T93K9-E42 WeakPolarHBondContact CE-OE2 3.48Å; K9-E42 IonicContact NZ-OE2 2.73Å; K9-E42 PolarHBondContact NZ-OE2 3.26Å; Y10-E42 PolarHBondContact O-N 3.08Å; S11-E42 WeakPolarHBondContact CB-OE1 3.5Å; S11-E42 PolarHBondContact OG-OE1 3.11Å; I12-E42 PolarHBondContact N-O 3.24Å; E42-I44 HydrophobicContact CG-CD1 4.4Å; E42-I44 HydrophobicContact CG-CG1 4.3Å; E42-N69 CarbonylContact C-O 3.44Å; E42-N69 WeakPolarHBondContact CA-O 3.49Å; E42-L71 HydrophobicContact CB-CD1 4.11Å; E42-A92 WeakPolarHBondContact OE1-CA 3.09Å; E42-T93 PolarHBondContact OE1-N 2.89Å; E42-T93 PolarHBondContact OE1-OG1 3.46Å; E42-T93 VanDerWaalsContact OE1-OG1 3.05Å; E42-T93 PolarHBondContact OE2-OG1 3.41Å
43V98.7Very high97Very high0 Ų040.4 Ų40.40%022%0.22CC..EExtended strand (participates in β ladder)trans-111.6125.1173.4-176.20000108.1I12 L14 I27 I30 Y41 V45 N69 I70 L71I12-V43 HydrophobicContact CB-CG2 4.46Å; I12-V43 HydrophobicContact CD1-CG2 4.45Å; I12-V43 WeakPolarHBondContact O-CA 3.36Å; L14-V43 HydrophobicContact CD1-CG1 3.48Å; L14-V43 VanDerWaalsContact CD1-CG1 3.48Å; L14-V43 HydrophobicContact CG-CG1 3.91Å; I27-V43 HydrophobicContact CD1-CG1 4.22Å; I27-V43 HydrophobicContact CG1-CG1 4.16Å; I30-V43 HydrophobicContact CD1-CG2 4.38Å; I30-V43 HydrophobicContact CG2-CG2 3.81Å; Y41-V43 HydrophobicContact CD2-CG2 4.08Å; Y41-V43 HydrophobicContact CE2-CG2 4.06Å; V43-V45 HydrophobicContact CG1-CG2 4.19Å; V43-N69 PolarHBondContact N-O 3.42Å; V43-I70 HydrophobicContact CB-CD1 3.83Å; V43-I70 HydrophobicContact CG2-CD1 3.98Å; V43-I70 WeakPolarHBondContact O-CA 3.28Å; V43-L71 PolarHBondContact O-N 3.49Å
44I98.7Very high97Very high0 Ų039.2 Ų39.20%022%0.215CC..EExtended strand (participates in β ladder)trans-112.4105.2-179.5-56.4175.1000107.4I12 L13 L14 E42 V46 L71 C73 H91 A92I12-I44 PolarHBondContact O-N 3.41Å; L13-I44 HydrophobicContact CD2-CB 3.74Å; L13-I44 HydrophobicContact CD2-CD1 3.78Å; L13-I44 HydrophobicContact CD2-CG1 4.21Å; L13-I44 HydrophobicContact CD2-CG2 4.19Å; L14-I44 PolarHBondContact N-O 3.24Å; E42-I44 HydrophobicContact CG-CD1 4.4Å; E42-I44 HydrophobicContact CG-CG1 4.3Å; I44-V46 HydrophobicContact CG2-CG2 4.21Å; I44-L71 HydrophobicContact CG1-CB 4.3Å; I44-C73 HydrophobicContact CG2-CB 4.33Å; I44-C73 VanDerWaalsContact CG2-SG 3.56Å; I44-H91 HydrophobicContact CD1-CB 4.24Å; I44-H91 HydrophobicContact CG2-CB 4.34Å; I44-A92 VanDerWaalsContact CD1-CA 3.48Å; I44-A92 HydrophobicContact CD1-CB 3.86Å
45V98.5Very high97Very high0 Ų040.8 Ų40.80%022%0.222CC..EExtended strand (participates in β ladder)trans-88.3111.5179.1-175.60000108.9L14 T16 L23 I27 V43 V58 L71 C73L14-V45 WeakPolarHBondContact O-CA 3.4Å; T16-V45 HydrophobicContact CG2-CG1 3.75Å; L23-V45 HydrophobicContact CD1-CG2 4.28Å; L23-V45 HydrophobicContact CD2-CG1 4.08Å; I27-V45 HydrophobicContact CD1-CG2 3.98Å; V43-V45 HydrophobicContact CG1-CG2 4.19Å; V45-V58 HydrophobicContact CB-CG1 4.41Å; V45-V58 HydrophobicContact CB-CG2 3.99Å; V45-V58 HydrophobicContact CG1-CG2 3.72Å; V45-V58 HydrophobicContact CG2-CG1 4.35Å; V45-V58 HydrophobicContact CG2-CG2 4.07Å; V45-L71 PolarHBondContact N-O 2.89Å; V45-C73 PolarHBondContact O-N 3.33Å
46V98Very high97.1Very high1 Ų142.4 Ų42.41%0.00622%0.223CC..EExtended strand (participates in β ladder)trans-98.994.4178.8-176.50000109.5L14 P15 T16 I44 C73 R75 A84L14-V46 PolarHBondContact O-N 3.27Å; P15-V46 WeakPolarHBondContact CA-O 3.34Å; T16-V46 PolarHBondContact N-O 3.28Å; I44-V46 HydrophobicContact CG2-CG2 4.21Å; V46-C73 WeakPolarHBondContact CA-O 3.22Å; V46-C73 HydrophobicContact CG2-CB 4.21Å; V46-R75 HydrophobicContact CG1-CG 4.12Å; V46-R75 VanDerWaalsContact CG1-NE 3.33Å; V46-A84 HydrophobicContact CG1-CB 4.11Å
47D97.8Very high97.1Very high0 Ų037.5 Ų37.50%020%0.201CC..EExtended strand (participates in β ladder)trans-94.7127-172.3-172.270.1000113.1T16 N49 S50 T54 Q55 L72 C73 R75T16-D47 VanDerWaalsContact OG1-CA 3.28Å; T16-D47 WeakPolarHBondContact OG1-CA 3.45Å; T16-D47 WeakPolarHBondContact OG1-CB 3.49Å; T16-D47 PolarHBondContact OG1-OD1 3.36Å; D47-N49 PolarHBondContact O-N 3.3Å; D47-N49 WeakPolarHBondContact OD2-CA 3.42Å; D47-N49 PolarHBondContact OD2-N 3.01Å; D47-S50 WeakPolarHBondContact OD1-CB 3.49Å; D47-S50 PolarHBondContact OD1-OG 3.23Å; D47-S50 PolarHBondContact OD2-N 2.82Å; D47-T54 WeakPolarHBondContact OD1-CG2 3.25Å; D47-Q55 HydrophobicContact CB-CG 4.09Å; D47-Q55 VanDerWaalsContact OD2-CG 3.24Å; D47-Q55 WeakPolarHBondContact OD2-CG 3.27Å; D47-Q55 PolarHBondContact OD2-NE2 2.9Å; D47-L72 HydrophobicContact CB-CD1 4.25Å; D47-C73 PolarHBondContact N-O 3.14Å; D47-R75 PolarHBondContact O-N 2.9Å
48D96.2Very high97.2Very high15 Ų1532.6 Ų32.68%0.0818%0.178CC..  trans-83.542.2-179.8-91.9-27.7000114.3T16 Y17 R75 K78T16-D48 PolarHBondContact O-N 3.17Å; Y17-D48 HydrophobicContact CD2-CB 3.76Å; Y17-D48 WeakPolarHBondContact CD2-O 3.5Å; Y17-D48 HydrophobicContact CG-CB 4.5Å; D48-R75 IonicContact OD1-CZ 3.33Å; D48-R75 IonicContact OD1-NE 3.28Å; D48-R75 PolarHBondContact OD1-NE 3.27Å; D48-R75 IonicContact OD1-NH1 3.91Å; D48-R75 IonicContact OD1-NH2 3.44Å; D48-R75 PolarHBondContact OD1-NH2 2.83Å; D48-R75 IonicContact OD2-CZ 3.08Å; D48-R75 IonicContact OD2-NH2 3.53Å; D48-R75 PolarHBondContact OD2-NH2 2.87Å; D48-K78 HydrophobicContact CB-CG 3.82Å; D48-K78 VanDerWaalsContact CG-CA 3.5Å; D48-K78 WeakPolarHBondContact OD2-CA 3.26Å
49N96Very high97.3Very high95 Ų9530.9 Ų30.951%0.50816%0.163SC..  trans56.857.9-175.8-167.728.2000112.1D47 P51 R75 P76D47-N49 PolarHBondContact O-N 3.3Å; D47-N49 WeakPolarHBondContact OD2-CA 3.42Å; D47-N49 PolarHBondContact OD2-N 3.01Å; N49-P51 WeakPolarHBondContact O-CD 3.24Å; N49-R75 WeakPolarHBondContact CB-O 3.47Å; N49-R75 PolarHBondContact N-O 2.86Å; N49-P76 WeakPolarHBondContact CB-O 3.42Å; N49-P76 PolarHBondContact ND2-O 2.83Å
50S96.1Very high97.4Very high9 Ų935.3 Ų35.36%0.06318%0.183CC..  trans-64.5123.7-178.6-66.10000112.2Y17 N18 D47 D52Y17-S50 VanDerWaalsContact CA-OG 3.27Å; Y17-S50 WeakPolarHBondContact CA-OG 3.44Å; N18-S50 PolarHBondContact N-OG 2.86Å; D47-S50 WeakPolarHBondContact OD1-CB 3.49Å; D47-S50 PolarHBondContact OD1-OG 3.23Å; D47-S50 PolarHBondContact OD2-N 2.82Å; S50-D52 VanDerWaalsContact C-N 3.28Å; S50-D52 WeakPolarHBondContact CB-OD1 3.46Å; S50-D52 PolarHBondContact O-N 3.45Å
51P95Very high97.4Very high102 Ų10233.3 Ų33.366%0.66217%0.172SC*.THydrogen-bonded Turntrans-76.4-9.7175.931-39.5000114.5N18 N49 G53N18-P51 WeakPolarHBondContact OD1-CD 3.43Å; N49-P51 WeakPolarHBondContact O-CD 3.24Å; P51-G53 VanDerWaalsContact C-N 3.26Å; P51-G53 PolarHBondContact O-N 3.32Å
52D95.5Very high97.4Very high48 Ų4834.2 Ų34.226%0.25718%0.177SC..THydrogen-bonded Turntrans-83.1-1.3-176.475.7-22.4000113.7N18 E19 R20 S50 T54N18-D52 VanDerWaalsContact CA-CG 3.48Å; N18-D52 WeakPolarHBondContact CA-OD2 3.47Å; E19-D52 PolarHBondContact N-OD2 3.13Å; R20-D52 HydrophobicContact CB-CB 4.48Å; R20-D52 WeakPolarHBondContact CB-OD2 3.38Å; R20-D52 VanDerWaalsContact CD-O 3.27Å; R20-D52 WeakPolarHBondContact CD-O 3.29Å; R20-D52 PolarHBondContact N-OD2 3.21Å; R20-D52 PolarHBondContact NH1-O 3.13Å; S50-D52 VanDerWaalsContact C-N 3.28Å; S50-D52 WeakPolarHBondContact CB-OD1 3.46Å; S50-D52 PolarHBondContact O-N 3.45Å; D52-T54 WeakPolarHBondContact OD1-CB 3.13Å; D52-T54 PolarHBondContact OD1-N 3.5Å; D52-T54 PolarHBondContact OD1-OG1 3.2Å; D52-T54 PolarHBondContact OD2-OG1 3.35Å
53G96.4Very high97.4Very high10 Ų1037.5 Ų37.510%0.10321%0.212CC..SBendtrans84.126.6-17700000114.8P51 Q55 E56 V57P51-G53 VanDerWaalsContact C-N 3.26Å; P51-G53 PolarHBondContact O-N 3.32Å; G53-Q55 VanDerWaalsContact C-N 3.25Å; G53-Q55 PolarHBondContact O-N 3.25Å; G53-E56 WeakPolarHBondContact CA-OE2 3.31Å; G53-E56 PolarHBondContact O-N 2.86Å; G53-V57 PolarHBondContact O-N 2.84Å
54T97.5Very high97.3Very high0 Ų042.5 Ų42.50%024%0.242CC..Hα-helixtrans-55.1-39.8172.8-64.50000111.8T16 E19 R20 L23 D47 D52 E56 V57 V58T16-T54 HydrophobicContact CG2-CG2 4.42Å; E19-T54 PolarHBondContact N-OG1 3.43Å; E19-T54 VanDerWaalsContact N-OG1 3.11Å; R20-T54 PolarHBondContact N-OG1 3.31Å; L23-T54 HydrophobicContact CD2-CG2 3.67Å; D47-T54 WeakPolarHBondContact OD1-CG2 3.25Å; D52-T54 WeakPolarHBondContact OD1-CB 3.13Å; D52-T54 PolarHBondContact OD1-N 3.5Å; D52-T54 PolarHBondContact OD1-OG1 3.2Å; D52-T54 PolarHBondContact OD2-OG1 3.35Å; T54-E56 VanDerWaalsContact C-N 3.35Å; T54-E56 PolarHBondContact O-N 2.82Å; T54-V57 WeakPolarHBondContact O-CB 2.89Å; T54-V57 PolarHBondContact O-N 3.41Å; T54-V58 WeakPolarHBondContact O-CG2 3.35Å; T54-V58 PolarHBondContact O-N 3.34Å; T54-V58 VanDerWaalsContact O-N 3.13Å
55Q97.9Very high97.2Very high34 Ų3444.9 Ų44.916%0.15925%0.251CS..Hα-helixtrans-66.7-34.7-179.2-61.9-171.816.900112.7D47 G53 V57 V58 K59 L72D47-Q55 HydrophobicContact CB-CG 4.09Å; D47-Q55 VanDerWaalsContact OD2-CG 3.24Å; D47-Q55 WeakPolarHBondContact OD2-CG 3.27Å; D47-Q55 PolarHBondContact OD2-NE2 2.9Å; G53-Q55 VanDerWaalsContact C-N 3.25Å; G53-Q55 PolarHBondContact O-N 3.25Å; Q55-V57 VanDerWaalsContact C-N 3.31Å; Q55-V58 WeakPolarHBondContact O-CB 3.44Å; Q55-V58 PolarHBondContact O-N 3.45Å; Q55-K59 WeakPolarHBondContact O-CG 3.31Å; Q55-K59 PolarHBondContact O-N 2.92Å; Q55-L72 HydrophobicContact CB-CD2 4.09Å; Q55-L72 HydrophobicContact CG-CD1 4.23Å; Q55-L72 HydrophobicContact CG-CD2 4.4Å
56E97.9Very high97.2Very high93 Ų9346.3 Ų46.344%0.43527%0.266SS..Hα-helixtrans-64.1-39.3174.8-70.866.2-15400110.9G53 T54 V58 K59 Q60G53-E56 WeakPolarHBondContact CA-OE2 3.31Å; G53-E56 PolarHBondContact O-N 2.86Å; T54-E56 VanDerWaalsContact C-N 3.35Å; T54-E56 PolarHBondContact O-N 2.82Å; E56-V58 VanDerWaalsContact C-N 3.32Å; E56-V58 PolarHBondContact O-N 2.89Å; E56-K59 PolarHBondContact O-N 3.39Å; E56-Q60 WeakPolarHBondContact O-CG 3.2Å; E56-Q60 PolarHBondContact O-N 3.49Å
57V97.7Very high97Very high9 Ų953.1 Ų53.16%0.05530%0.298CS..Hα-helixtrans-61.4-42.81731740000110.5R20 L23 A24 G53 T54 Q55 K59 Q60 L61R20-V57 HydrophobicContact CB-CG2 4.48Å; R20-V57 HydrophobicContact CG-CG2 3.52Å; L23-V57 HydrophobicContact CB-CG1 4.48Å; A24-V57 HydrophobicContact CB-CG1 4.09Å; G53-V57 PolarHBondContact O-N 2.84Å; T54-V57 WeakPolarHBondContact O-CB 2.89Å; T54-V57 PolarHBondContact O-N 3.41Å; Q55-V57 VanDerWaalsContact C-N 3.31Å; V57-K59 PolarHBondContact O-N 3.24Å; V57-Q60 WeakPolarHBondContact O-CB 3.35Å; V57-Q60 PolarHBondContact O-N 3.34Å; V57-L61 HydrophobicContact CG1-CD1 3.81Å; V57-L61 HydrophobicContact CG1-CG 4.34Å; V57-L61 VanDerWaalsContact O-CG 3.25Å; V57-L61 WeakPolarHBondContact O-CG 3.21Å; V57-L61 PolarHBondContact O-N 3.32Å
58V98.2Very high96.8Very high0 Ų061.7 Ų61.70%034%0.335CS..Hα-helixtrans-60.2-45.5176.2-175.90000111.3L23 V45 T54 Q55 E56 Q60 L61 Q62 I70 L72L23-V58 HydrophobicContact CD2-CG2 3.5Å; V45-V58 HydrophobicContact CB-CG1 4.41Å; V45-V58 HydrophobicContact CB-CG2 3.99Å; V45-V58 HydrophobicContact CG1-CG2 3.72Å; V45-V58 HydrophobicContact CG2-CG1 4.35Å; V45-V58 HydrophobicContact CG2-CG2 4.07Å; T54-V58 WeakPolarHBondContact O-CG2 3.35Å; T54-V58 PolarHBondContact O-N 3.34Å; T54-V58 VanDerWaalsContact O-N 3.13Å; Q55-V58 WeakPolarHBondContact O-CB 3.44Å; Q55-V58 PolarHBondContact O-N 3.45Å; E56-V58 VanDerWaalsContact C-N 3.32Å; E56-V58 PolarHBondContact O-N 2.89Å; V58-Q60 VanDerWaalsContact C-N 3.3Å; V58-Q60 PolarHBondContact O-N 2.94Å; V58-L61 PolarHBondContact O-N 2.9Å; V58-L61 VanDerWaalsContact O-N 3.13Å; V58-Q62 WeakPolarHBondContact O-CG 3.44Å; V58-Q62 PolarHBondContact O-N 3.47Å; V58-I70 HydrophobicContact CG1-CG2 3.88Å; V58-L72 HydrophobicContact CB-CD1 4.12Å; V58-L72 HydrophobicContact CB-CD2 4.49Å; V58-L72 HydrophobicContact CG1-CB 3.73Å; V58-L72 HydrophobicContact CG1-CD1 4.08Å; V58-L72 HydrophobicContact CG1-CG 4.31Å; V58-L72 HydrophobicContact CG2-CD1 4.07Å
59K98Very high96.8Very high119 Ų11963.5 Ų63.552%0.51735%0.345SS..Hα-helixtrans-61.6-36.9177.3-67.5175.7-172.7173.90112.7Q55 E56 V57 Q62 G63Q55-K59 WeakPolarHBondContact O-CG 3.31Å; Q55-K59 PolarHBondContact O-N 2.92Å; E56-K59 PolarHBondContact O-N 3.39Å; V57-K59 PolarHBondContact O-N 3.24Å; K59-Q62 WeakPolarHBondContact O-CB 3.5Å; K59-Q62 PolarHBondContact O-N 3.31Å; K59-G63 PolarHBondContact O-N 2.89Å
60Q97.7Very high96.9Very high130 Ų13059 Ų5961%0.60732%0.32SS*.Hα-helixtrans-65.2-43.9173.5-71.3173-700111.4E56 V57 V58 Q62 G63 V64E56-Q60 WeakPolarHBondContact O-CG 3.2Å; E56-Q60 PolarHBondContact O-N 3.49Å; V57-Q60 WeakPolarHBondContact O-CB 3.35Å; V57-Q60 PolarHBondContact O-N 3.34Å; V58-Q60 VanDerWaalsContact C-N 3.3Å; V58-Q60 PolarHBondContact O-N 2.94Å; Q60-Q62 VanDerWaalsContact C-N 3.31Å; Q60-Q62 PolarHBondContact O-N 3.24Å; Q60-G63 PolarHBondContact O-N 3.07Å; Q60-G63 VanDerWaalsContact O-N 3.07Å; Q60-V64 PolarHBondContact O-N 3.16Å
61L97.7Very high97Very high17 Ų1760.2 Ų60.29%0.08933%0.326CS..Hα-helixtrans-66.5-32.4178.2-65.8166.4000112.2A24 I27 V57 V58 G63 V64 Y65 I70A24-L61 HydrophobicContact CB-CD2 4.43Å; I27-L61 HydrophobicContact CB-CD1 4.11Å; I27-L61 HydrophobicContact CD1-CD1 3.55Å; I27-L61 HydrophobicContact CG1-CD1 4.33Å; I27-L61 HydrophobicContact CG2-CD1 4.29Å; I27-L61 HydrophobicContact CG2-CD2 4.39Å; V57-L61 HydrophobicContact CG1-CD1 3.81Å; V57-L61 HydrophobicContact CG1-CG 4.34Å; V57-L61 VanDerWaalsContact O-CG 3.25Å; V57-L61 WeakPolarHBondContact O-CG 3.21Å; V57-L61 PolarHBondContact O-N 3.32Å; V58-L61 PolarHBondContact O-N 2.9Å; V58-L61 VanDerWaalsContact O-N 3.13Å; L61-G63 VanDerWaalsContact C-N 3.27Å; L61-G63 PolarHBondContact O-N 3.08Å; L61-V64 PolarHBondContact O-N 2.77Å; L61-V64 VanDerWaalsContact O-N 3.07Å; L61-Y65 HydrophobicContact CB-CD2 4.29Å; L61-Y65 HydrophobicContact CD2-CD2 4.29Å; L61-Y65 HydrophobicContact CD2-CE2 3.82Å; L61-Y65 WeakPolarHBondContact O-CD2 3.48Å; L61-Y65 PolarHBondContact O-N 3.26Å; L61-I70 HydrophobicContact CB-CG2 4.48Å
62Q98.1Very high97.2Very high33 Ų3357.1 Ų57.115%0.15430%0.304CS..Hα-helixtrans-59.4-37.4169.8-75.2178.3-44.700112.1V58 K59 Q60 V64 G66 E67 I70V58-Q62 WeakPolarHBondContact O-CG 3.44Å; V58-Q62 PolarHBondContact O-N 3.47Å; K59-Q62 WeakPolarHBondContact O-CB 3.5Å; K59-Q62 PolarHBondContact O-N 3.31Å; Q60-Q62 VanDerWaalsContact C-N 3.31Å; Q60-Q62 PolarHBondContact O-N 3.24Å; Q62-V64 VanDerWaalsContact C-N 3.26Å; Q62-V64 PolarHBondContact O-N 3.23Å; Q62-G66 CarbonylContact O-C 3.51Å; Q62-G66 WeakPolarHBondContact O-CA 3.44Å; Q62-G66 PolarHBondContact O-N 3.47Å; Q62-E67 HydrophobicContact CB-CG 3.99Å; Q62-E67 HydrophobicContact CG-CG 4.27Å; Q62-I70 HydrophobicContact CG-CB 4.01Å; Q62-I70 HydrophobicContact CG-CG2 4.13Å; Q62-I70 VanDerWaalsContact CG-O 3.22Å; Q62-I70 WeakPolarHBondContact CG-O 3.27Å; Q62-I70 PolarHBondContact NE2-O 3.33Å
63G97.5Very high97.3Very high73 Ų7355 Ų5575%0.75329%0.293SS*.Hα-helixtrans-67.1-24.3173.700000114.2K59 Q60 L61K59-G63 PolarHBondContact O-N 2.89Å; Q60-G63 PolarHBondContact O-N 3.07Å; Q60-G63 VanDerWaalsContact O-N 3.07Å; L61-G63 VanDerWaalsContact C-N 3.27Å; L61-G63 PolarHBondContact O-N 3.08Å
64V97.2Very high97.3Very high105 Ų10557.9 Ų57.964%0.63631%0.31SS*.Hα-helixtrans-90.1-44.7-179.8178.50000111.9Q60 L61 Q62Q60-V64 PolarHBondContact O-N 3.16Å; L61-V64 PolarHBondContact O-N 2.77Å; L61-V64 VanDerWaalsContact O-N 3.07Å; Q62-V64 VanDerWaalsContact C-N 3.26Å; Q62-V64 PolarHBondContact O-N 3.23Å
65Y97.2Very high97.3Very high49 Ų4958.6 Ų58.619%0.19231%0.313CS..Hα-helixtrans-108.4-10.6-170.7-61.2-68.3000113.9I27 N31 L61 N69 I70I27-Y65 HydrophobicContact CG2-CD2 3.94Å; I27-Y65 HydrophobicContact CG2-CE2 3.79Å; N31-Y65 HydrophobicContact CB-CD1 4.26Å; N31-Y65 HydrophobicContact CB-CE1 3.76Å; N31-Y65 VanDerWaalsContact OD1-CD1 3.32Å; N31-Y65 WeakPolarHBondContact OD1-CD1 3.46Å; N31-Y65 WeakPolarHBondContact OD1-CE1 3.37Å; L61-Y65 HydrophobicContact CB-CD2 4.29Å; L61-Y65 HydrophobicContact CD2-CD2 4.29Å; L61-Y65 HydrophobicContact CD2-CE2 3.82Å; L61-Y65 WeakPolarHBondContact O-CD2 3.48Å; L61-Y65 PolarHBondContact O-N 3.26Å; Y65-N69 WeakPolarHBondContact O-CB 3.36Å; Y65-I70 HydrophobicContact CD2-CD1 4.45Å; Y65-I70 HydrophobicContact CD2-CG1 4.23Å; Y65-I70 HydrophobicContact CG-CG1 4.34Å
66G96.9Very high97.2Very high30 Ų3061.7 Ų61.731%0.30934%0.336SS..  trans92141.7-176.600000113.6Q62 K68 N69 I70Q62-G66 CarbonylContact O-C 3.51Å; Q62-G66 WeakPolarHBondContact O-CA 3.44Å; Q62-G66 PolarHBondContact O-N 3.47Å; G66-K68 PolarHBondContact O-N 3.29Å; G66-N69 PolarHBondContact O-N 2.96Å; G66-I70 PolarHBondContact O-N 2.83Å
67E95.5Very high96.9Very high144 Ų14463.6 Ų63.667%0.67334%0.342SS*.THydrogen-bonded Turntrans-63.5-21.5179.7-67.2-178.8-177.300113.9Q62Q62-E67 HydrophobicContact CB-CG 3.99Å; Q62-E67 HydrophobicContact CG-CG 4.27Å
68K93.1Very high96.4Very high180 Ų18068 Ų6878%0.78336%0.361SS*.THydrogen-bonded Turntrans-76.7-24.6174.9-66.5-174.7179.3-179.30113G66 L71G66-K68 PolarHBondContact O-N 3.29Å; K68-L71 WeakPolarHBondContact O-CD1 3.45Å
69N95.9Very high95.9Very high53 Ų5371.8 Ų71.828%0.28338%0.381SS..THydrogen-bonded Turntrans-97.5-30.8-178.9-68.976.9000111.3Y41 E42 V43 Y65 G66Y41-N69 PolarHBondContact O-ND2 3.02Å; E42-N69 CarbonylContact C-O 3.44Å; E42-N69 WeakPolarHBondContact CA-O 3.49Å; V43-N69 PolarHBondContact N-O 3.42Å; Y65-N69 WeakPolarHBondContact O-CB 3.36Å; G66-N69 PolarHBondContact O-N 2.96Å
70I98.3Very high95.3Very high0 Ų067.5 Ų67.50%037%0.37CS..EExtended strand (participates in β ladder)trans-119.2108.8177.2-49.9-60.7000109.2I27 V43 V58 L61 Q62 Y65 G66I27-I70 HydrophobicContact CD1-CD1 4.46Å; I27-I70 HydrophobicContact CD1-CG2 4.27Å; I27-I70 HydrophobicContact CG2-CD1 3.64Å; V43-I70 HydrophobicContact CB-CD1 3.83Å; V43-I70 HydrophobicContact CG2-CD1 3.98Å; V43-I70 WeakPolarHBondContact O-CA 3.28Å; V58-I70 HydrophobicContact CG1-CG2 3.88Å; L61-I70 HydrophobicContact CB-CG2 4.48Å; Q62-I70 HydrophobicContact CG-CB 4.01Å; Q62-I70 HydrophobicContact CG-CG2 4.13Å; Q62-I70 VanDerWaalsContact CG-O 3.22Å; Q62-I70 WeakPolarHBondContact CG-O 3.27Å; Q62-I70 PolarHBondContact NE2-O 3.33Å; Y65-I70 HydrophobicContact CD2-CD1 4.45Å; Y65-I70 HydrophobicContact CD2-CG1 4.23Å; Y65-I70 HydrophobicContact CG-CG1 4.34Å; G66-I70 PolarHBondContact O-N 2.83Å
71L98.3Very high94.7Very high36 Ų3663.7 Ų63.719%0.18835%0.354CS..EExtended strand (participates in β ladder)trans-102.8135.1179.6-69.178.4000109.9E42 V43 I44 V45 K68 H91E42-L71 HydrophobicContact CB-CD1 4.11Å; V43-L71 PolarHBondContact O-N 3.49Å; I44-L71 HydrophobicContact CG1-CB 4.3Å; V45-L71 PolarHBondContact N-O 2.89Å; K68-L71 WeakPolarHBondContact O-CD1 3.45Å; L71-H91 HydrophobicContact CD2-CB 4.46Å
72L98.2Very high94.2Very high37 Ų3763.3 Ų63.319%0.19435%0.354CS..EExtended strand (participates in β ladder)trans-102.5119.5171.3179.457.9000109.6D47 Q55 V58 P74D47-L72 HydrophobicContact CB-CD1 4.25Å; Q55-L72 HydrophobicContact CB-CD2 4.09Å; Q55-L72 HydrophobicContact CG-CD1 4.23Å; Q55-L72 HydrophobicContact CG-CD2 4.4Å; V58-L72 HydrophobicContact CB-CD1 4.12Å; V58-L72 HydrophobicContact CB-CD2 4.49Å; V58-L72 HydrophobicContact CG1-CB 3.73Å; V58-L72 HydrophobicContact CG1-CD1 4.08Å; V58-L72 HydrophobicContact CG1-CG 4.31Å; V58-L72 HydrophobicContact CG2-CD1 4.07Å; L72-P74 WeakPolarHBondContact O-CD 3.46Å
73C97.7Very high93.9Very high4 Ų464.6 Ų64.63%0.02736%0.364CS..EExtended strand (participates in β ladder)trans-118.982.6178.4-64.70000109.6I44 V45 V46 D47 H91I44-C73 HydrophobicContact CG2-CB 4.33Å; I44-C73 VanDerWaalsContact CG2-SG 3.56Å; V45-C73 PolarHBondContact O-N 3.33Å; V46-C73 WeakPolarHBondContact CA-O 3.22Å; V46-C73 HydrophobicContact CG2-CB 4.21Å; D47-C73 PolarHBondContact N-O 3.14Å; C73-H91 PolarHBondContact SG-CD2 3.47Å
74P97.1Very high93.7Very high69 Ų6961.1 Ų61.145%0.44833%0.328SS..EExtended strand (participates in β ladder)trans-75.6141.2-174.831.6-33.1000111.5L72L72-P74 WeakPolarHBondContact O-CD 3.46Å
75R97Very high93.6Very high16 Ų1656.2 Ų56.26%0.0630%0.298CS..  trans-115.8152.1172.4-66.1-171-62.8158.8-2.6109.9V46 D47 D48 N49 K77 G80 T83V46-R75 HydrophobicContact CG1-CG 4.12Å; V46-R75 VanDerWaalsContact CG1-NE 3.33Å; D47-R75 PolarHBondContact O-N 2.9Å; D48-R75 IonicContact OD1-CZ 3.33Å; D48-R75 IonicContact OD1-NE 3.28Å; D48-R75 PolarHBondContact OD1-NE 3.27Å; D48-R75 IonicContact OD1-NH1 3.91Å; D48-R75 IonicContact OD1-NH2 3.44Å; D48-R75 PolarHBondContact OD1-NH2 2.83Å; D48-R75 IonicContact OD2-CZ 3.08Å; D48-R75 IonicContact OD2-NH2 3.53Å; D48-R75 PolarHBondContact OD2-NH2 2.87Å; N49-R75 WeakPolarHBondContact CB-O 3.47Å; N49-R75 PolarHBondContact N-O 2.86Å; R75-K77 VanDerWaalsContact C-N 3.29Å; R75-K77 PolarHBondContact O-N 2.6Å; R75-G80 PolarHBondContact NH1-O 2.98Å; R75-G80 VanDerWaalsContact NH1-O 3.12Å; R75-T83 PolarHBondContact NH1-OG1 3.16Å; R75-T83 VanDerWaalsContact NH1-OG1 3.12Å
76P95.1Very high93.4Very high99 Ų9955.7 Ų55.764%0.64330%0.304SS*.SBendtrans-67.5-25.1-172.524.8-35.1000114.6N49 L79N49-P76 WeakPolarHBondContact CB-O 3.42Å; N49-P76 PolarHBondContact ND2-O 2.83Å; P76-L79 HydrophobicContact CG-CD1 4.47Å
77K91.5Very high93.3Very high133 Ų13356.4 Ų56.458%0.57830%0.299SS*.SBendtrans-169.2173.7-178.762-177.9178.4-175.60109.8R75 L79R75-K77 VanDerWaalsContact C-N 3.29Å; R75-K77 PolarHBondContact O-N 2.6Å; K77-L79 HydrophobicContact CD-CD2 4.22Å; K77-L79 VanDerWaalsContact CE-CD2 3.46Å; K77-L79 HydrophobicContact CG-CD2 3.77Å; K77-L79 HydrophobicContact CG-CG 4.14Å; K77-L79 WeakPolarHBondContact O-CG 3.34Å; K77-L79 PolarHBondContact O-N 3.39Å
78K88.4Confident93.4Very high100 Ų10049.5 Ų49.544%0.43527%0.267SS..  trans-58.3102.1167.2-66.5-168.1175.8-165.70113.3Y17 D48Y17-K78 HydrophobicContact CD1-CD 4.48Å; Y17-K78 HydrophobicContact CD2-CD 4.15Å; Y17-K78 HydrophobicContact CD2-CG 3.87Å; Y17-K78 HydrophobicContact CE2-CD 4.25Å; Y17-K78 VanDerWaalsContact CE2-CE 3.4Å; Y17-K78 HydrophobicContact CE2-CG 4.03Å; Y17-K78 HydrophobicContact CG-CD 4.23Å; Y17-K78 HydrophobicContact CG-CG 4.36Å; Y17-K78 VanDerWaalsContact CG-NZ 3.27Å; D48-K78 HydrophobicContact CB-CG 3.82Å; D48-K78 VanDerWaalsContact CG-CA 3.5Å; D48-K78 WeakPolarHBondContact OD2-CA 3.26Å
79L86.3Confident93.6Very high81 Ų8142 Ų4242%0.42424%0.235SC..  trans-102.30.6176.4-63.8175.9000113.6P76 K77 T83P76-L79 HydrophobicContact CG-CD1 4.47Å; K77-L79 HydrophobicContact CD-CD2 4.22Å; K77-L79 VanDerWaalsContact CE-CD2 3.46Å; K77-L79 HydrophobicContact CG-CD2 3.77Å; K77-L79 HydrophobicContact CG-CG 4.14Å; K77-L79 WeakPolarHBondContact O-CG 3.34Å; K77-L79 PolarHBondContact O-N 3.39Å; L79-T83 VanDerWaalsContact C-OG1 3.24Å; L79-T83 PolarHBondContact O-OG1 3.27Å; L79-T83 VanDerWaalsContact O-OG1 3.06Å
80G85.4Confident93.6Very high29 Ų2946.4 Ų46.430%0.29925%0.254SS..  trans108.8161.2-177.800000113.1R75 T83 A84R75-G80 PolarHBondContact NH1-O 2.98Å; R75-G80 VanDerWaalsContact NH1-O 3.12Å; G80-T83 PolarHBondContact O-OG1 2.95Å; G80-A84 PolarHBondContact O-N 3.47Å
81L86Confident93.6Very high49 Ų4950.1 Ų50.126%0.25727%0.271SS..Hα-helixtrans-72.4-46.1-172.6-169.565.4000112.6P15 T83 A84 Y85P15-L81 HydrophobicContact CB-CD1 3.96Å; P15-L81 HydrophobicContact CG-CD1 3.72Å; L81-T83 VanDerWaalsContact C-N 3.29Å; L81-T83 PolarHBondContact O-N 2.82Å; L81-A84 WeakPolarHBondContact O-CA 3.27Å; L81-A84 WeakPolarHBondContact O-CB 3.44Å; L81-A84 PolarHBondContact O-N 2.99Å; L81-Y85 HydrophobicContact CD1-CE2 3.91Å; L81-Y85 HydrophobicContact CD2-CE2 3.89Å; L81-Y85 HydrophobicContact CG-CD2 4.21Å; L81-Y85 HydrophobicContact CG-CE2 3.45Å; L81-Y85 VanDerWaalsContact CG-CE2 3.45Å; L81-Y85 WeakPolarHBondContact O-CD2 3.29Å; L81-Y85 PolarHBondContact O-N 3.37Å; L81-Y85 VanDerWaalsContact O-N 3.14Å
82G88.2Confident93.5Very high9 Ų948.8 Ų48.89%0.09327%0.266CS..Hα-helixtrans-58-39.8176.200000113A84 Y85 A86 M182G82-A84 VanDerWaalsContact C-N 3.26Å; G82-A84 PolarHBondContact O-N 3.41Å; G82-Y85 PolarHBondContact O-N 3.44Å; G82-A86 PolarHBondContact O-N 3.34Å; G82-M182 VanDerWaalsContact O-CE 3.23Å; G82-M182 WeakPolarHBondContact O-CE 3.28Å
83T91Very high93.5Very high61 Ų6150.7 Ų50.737%0.37428%0.279SS..Hα-helixtrans-71.6-22.3176.361.60000112.7R75 L79 G80 L81 H87R75-T83 PolarHBondContact NH1-OG1 3.16Å; R75-T83 VanDerWaalsContact NH1-OG1 3.12Å; L79-T83 VanDerWaalsContact C-OG1 3.24Å; L79-T83 PolarHBondContact O-OG1 3.27Å; L79-T83 VanDerWaalsContact O-OG1 3.06Å; G80-T83 PolarHBondContact O-OG1 2.95Å; L81-T83 VanDerWaalsContact C-N 3.29Å; L81-T83 PolarHBondContact O-N 2.82Å; T83-H87 WeakPolarHBondContact O-CB 3.31Å; T83-H87 PolarHBondContact O-N 2.88Å; T83-H87 VanDerWaalsContact O-N 3.14Å
84A93.4Very high93.5Very high0 Ų050.5 Ų50.50%028%0.278CS..Hα-helixtrans-67.3-50.7172.100000110.2P15 V46 G80 L81 G82 A86 H87 G88P15-A84 HydrophobicContact CB-CB 3.92Å; V46-A84 HydrophobicContact CG1-CB 4.11Å; G80-A84 PolarHBondContact O-N 3.47Å; L81-A84 WeakPolarHBondContact O-CA 3.27Å; L81-A84 WeakPolarHBondContact O-CB 3.44Å; L81-A84 PolarHBondContact O-N 2.99Å; G82-A84 VanDerWaalsContact C-N 3.26Å; G82-A84 PolarHBondContact O-N 3.41Å; A84-A86 VanDerWaalsContact C-N 3.28Å; A84-A86 PolarHBondContact O-N 3.04Å; A84-H87 PolarHBondContact O-N 2.91Å; A84-G88 PolarHBondContact O-N 3.33Å
85Y94.3Very high93.5Very high1 Ų150.2 Ų50.20%0.00427%0.272CS..Hα-helixtrans-64.5-36178.2-59.9-47.6000111.6L13 P15 L81 G82 H87 G88 L89 I99 F192L13-Y85 HydrophobicContact CB-CD1 4.17Å; L13-Y85 HydrophobicContact CD1-CD1 4.26Å; P15-Y85 HydrophobicContact CB-CE1 4.32Å; P15-Y85 HydrophobicContact CG-CE1 3.58Å; L81-Y85 HydrophobicContact CD1-CE2 3.91Å; L81-Y85 HydrophobicContact CD2-CE2 3.89Å; L81-Y85 HydrophobicContact CG-CD2 4.21Å; L81-Y85 HydrophobicContact CG-CE2 3.45Å; L81-Y85 VanDerWaalsContact CG-CE2 3.45Å; L81-Y85 WeakPolarHBondContact O-CD2 3.29Å; L81-Y85 PolarHBondContact O-N 3.37Å; L81-Y85 VanDerWaalsContact O-N 3.14Å; G82-Y85 PolarHBondContact O-N 3.44Å; Y85-H87 VanDerWaalsContact C-N 3.35Å; Y85-H87 PolarHBondContact O-N 3.45Å; Y85-G88 PolarHBondContact O-N 2.91Å; Y85-L89 WeakPolarHBondContact O-CB 3.45Å; Y85-L89 PolarHBondContact O-N 3.44Å; Y85-I99 HydrophobicContact CD1-CD1 4.01Å; Y85-I99 HydrophobicContact CD1-CG1 3.93Å; Y85-I99 HydrophobicContact CD1-CG2 4.02Å; Y85-I99 HydrophobicContact CD2-CD1 3.94Å; Y85-I99 HydrophobicContact CD2-CG2 4.31Å; Y85-I99 HydrophobicContact CE1-CB 4.19Å; Y85-I99 HydrophobicContact CE1-CD1 4.4Å; Y85-I99 HydrophobicContact CE1-CG1 4.1Å; Y85-I99 HydrophobicContact CE1-CG2 3.33Å; Y85-I99 HydrophobicContact CE2-CD1 4.3Å; Y85-I99 HydrophobicContact CE2-CG2 3.64Å; Y85-I99 HydrophobicContact CG-CD1 3.78Å; Y85-I99 HydrophobicContact CG-CG1 4.24Å; Y85-I99 HydrophobicContact CG-CG2 4.48Å; Y85-I99 WeakPolarHBondContact OH-CG2 3.5Å; Y85-F192 HydrophobicContact CD2-CD1 4.18Å; Y85-F192 AromaticContact CD2-CE1 3.63Å; Y85-F192 HydrophobicContact CD2-CE1 3.63Å; Y85-F192 HydrophobicContact CD2-CZ 4.31Å; Y85-F192 HydrophobicContact CE2-CD1 4.39Å; Y85-F192 HydrophobicContact CE2-CE1 4.17Å
86A93.7Very high93.6Very high38 Ų3850.5 Ų50.531%0.31427%0.274SS..Hα-helixtrans-61.2-48.8177.800000110.1G82 A84 L89 E90 M182G82-A86 PolarHBondContact O-N 3.34Å; A84-A86 VanDerWaalsContact C-N 3.28Å; A84-A86 PolarHBondContact O-N 3.04Å; A86-L89 WeakPolarHBondContact O-CB 3.31Å; A86-L89 PolarHBondContact O-N 3.44Å; A86-E90 WeakPolarHBondContact O-CG 3.33Å; A86-E90 PolarHBondContact O-N 3.19Å; A86-M182 HydrophobicContact CB-CE 3.51Å
87H95.4Very high93.7Very high45 Ų4545.8 Ų45.821%0.20824%0.243CC..Hα-helixtrans-64-44.5177.6-171.648.6000111.8T83 A84 Y85 L89 E90 H91T83-H87 WeakPolarHBondContact O-CB 3.31Å; T83-H87 PolarHBondContact O-N 2.88Å; T83-H87 VanDerWaalsContact O-N 3.14Å; A84-H87 PolarHBondContact O-N 2.91Å; Y85-H87 VanDerWaalsContact C-N 3.35Å; Y85-H87 PolarHBondContact O-N 3.45Å; H87-L89 VanDerWaalsContact C-N 3.29Å; H87-L89 PolarHBondContact O-N 3.48Å; H87-E90 IonicContact CE1-OE2 3.13Å; H87-E90 IonicContact ND1-OE2 3.91Å; H87-E90 PolarHBondContact ND1-OE2 2.81Å; H87-E90 VanDerWaalsContact ND1-OE2 3.08Å; H87-E90 WeakPolarHBondContact O-CB 3.47Å; H87-E90 PolarHBondContact O-N 3.11Å; H87-H91 AromaticContact CE1-NE2 3.62Å; H87-H91 PolarHBondContact O-CD2 2.91Å; H87-H91 VanDerWaalsContact O-CD2 3.27Å
88G97.2Very high94.1Very high0 Ų039.4 Ų39.40%022%0.216CC..Hα-helixtrans-61-37.2175.800000113.2A84 Y85 E90 H91 A92A84-G88 PolarHBondContact O-N 3.33Å; Y85-G88 PolarHBondContact O-N 2.91Å; G88-E90 VanDerWaalsContact C-N 3.3Å; G88-E90 PolarHBondContact O-N 3.17Å; G88-H91 PolarHBondContact O-N 2.78Å; G88-H91 VanDerWaalsContact O-N 3.11Å; G88-A92 PolarHBondContact O-N 3.32Å
89L96.9Very high94.5Very high21 Ų2134.7 Ų34.711%0.1120%0.195CC..Hα-helixtrans-65.4-31178.8-175.562.7000112.6Y85 A86 H87 H91 A92 V97 R175 L178 Q179 M182Y85-L89 WeakPolarHBondContact O-CB 3.45Å; Y85-L89 PolarHBondContact O-N 3.44Å; A86-L89 WeakPolarHBondContact O-CB 3.31Å; A86-L89 PolarHBondContact O-N 3.44Å; H87-L89 VanDerWaalsContact C-N 3.29Å; H87-L89 PolarHBondContact O-N 3.48Å; L89-H91 PolarHBondContact O-N 2.86Å; L89-A92 HydrophobicContact CD1-CB 4.21Å; L89-A92 PolarHBondContact O-N 3.49Å; L89-A92 VanDerWaalsContact O-N 3.17Å; L89-V97 HydrophobicContact CD1-CG2 3.93Å; L89-R175 HydrophobicContact CD1-CG 3.82Å; L89-L178 HydrophobicContact CD1-CD2 4.15Å; L89-L178 HydrophobicContact CD2-CD2 4.4Å; L89-L178 HydrophobicContact CD2-CG 4.18Å; L89-Q179 HydrophobicContact CD2-CB 4.03Å; L89-Q179 HydrophobicContact CD2-CG 4.36Å; L89-M182 HydrophobicContact CD2-SD 4.01Å
90E96.6Very high95Very high147 Ų14730.8 Ų30.869%0.68718%0.175SC*.Hα-helixtrans-60.8-26.1173.6-66.5165.4173.300112.4A86 H87 G88A86-E90 WeakPolarHBondContact O-CG 3.33Å; A86-E90 PolarHBondContact O-N 3.19Å; H87-E90 IonicContact CE1-OE2 3.13Å; H87-E90 IonicContact ND1-OE2 3.91Å; H87-E90 PolarHBondContact ND1-OE2 2.81Å; H87-E90 VanDerWaalsContact ND1-OE2 3.08Å; H87-E90 WeakPolarHBondContact O-CB 3.47Å; H87-E90 PolarHBondContact O-N 3.11Å; G88-E90 VanDerWaalsContact C-N 3.3Å; G88-E90 PolarHBondContact O-N 3.17Å
91H97.3Very high95.4Very high77 Ų7731.1 Ų31.136%0.35617%0.17SC..THydrogen-bonded Turntrans-100.1-5.4179.3-63.3-84000113.4I44 L71 C73 H87 G88 L89 T93I44-H91 HydrophobicContact CD1-CB 4.24Å; I44-H91 HydrophobicContact CG2-CB 4.34Å; L71-H91 HydrophobicContact CD2-CB 4.46Å; C73-H91 PolarHBondContact SG-CD2 3.47Å; H87-H91 AromaticContact CE1-NE2 3.62Å; H87-H91 PolarHBondContact O-CD2 2.91Å; H87-H91 VanDerWaalsContact O-CD2 3.27Å; G88-H91 PolarHBondContact O-N 2.78Å; G88-H91 VanDerWaalsContact O-N 3.11Å; L89-H91 PolarHBondContact O-N 2.86Å; H91-T93 PolarHBondContact O-N 2.86Å
92A97.7Very high95.7Very high8 Ų828.9 Ų28.97%0.06616%0.158CC..  trans-76.7117.1-176.500000112.5E42 I44 G88 L89 V97 R175E42-A92 WeakPolarHBondContact OE1-CA 3.09Å; I44-A92 VanDerWaalsContact CD1-CA 3.48Å; I44-A92 HydrophobicContact CD1-CB 3.86Å; G88-A92 PolarHBondContact O-N 3.32Å; L89-A92 HydrophobicContact CD1-CB 4.21Å; L89-A92 PolarHBondContact O-N 3.49Å; L89-A92 VanDerWaalsContact O-N 3.17Å; A92-V97 HydrophobicContact CB-CG2 4.36Å; A92-R175 PolarHBondContact O-NH1 3.35Å
93T97.1Very high95.9Very high77 Ų7728.8 Ų28.847%0.47216%0.156SC..  trans-92.8-20178.267.30000113.3K9 S11 E42 H91 R175K9-T93 WeakPolarHBondContact CE-OG1 3.33Å; K9-T93 PolarHBondContact NZ-OG1 3.1Å; S11-T93 PolarHBondContact OG-N 2.71Å; E42-T93 PolarHBondContact OE1-N 2.89Å; E42-T93 PolarHBondContact OE1-OG1 3.46Å; E42-T93 VanDerWaalsContact OE1-OG1 3.05Å; E42-T93 PolarHBondContact OE2-OG1 3.41Å; H91-T93 PolarHBondContact O-N 2.86Å; T93-R175 VanDerWaalsContact C-NH1 3.3Å; T93-R175 PolarHBondContact O-NH1 3.18Å
94G97.4Very high96Very high0 Ų027 Ų270%014%0.143CC..SBendtrans-68.3155.1-178.900000114.7K9 S11 F96 R175K9-G94 CarbonylContact O-C 3.5Å; K9-G94 WeakPolarHBondContact O-CA 3.4Å; S11-G94 WeakPolarHBondContact OG-CA 3.29Å; S11-G94 PolarHBondContact OG-N 2.98Å; G94-F96 VanDerWaalsContact C-N 3.26Å; G94-R175 WeakPolarHBondContact O-CD 3.05Å; G94-R175 VanDerWaalsContact O-CZ 3.26Å; G94-R175 PolarHBondContact O-NE 3.42Å; G94-R175 PolarHBondContact O-NH1 3.38Å
95N97.5Very high95.9Very high63 Ų6327 Ų2734%0.33714%0.144SC..SBendtrans-76.8-20.9173.8-63-38.4000111.6K9 R175K9-N95 PolarHBondContact O-N 2.88Å; N95-R175 WeakPolarHBondContact O-CB 3.35Å; N95-R175 PolarHBondContact O-N 2.9Å
96F98.6Very high96Very high22 Ų2227.1 Ų27.110%0.09615%0.145CC..EExtended strand (participates in β ladder)trans-123.9145.4176.3-66.9-83.6000110.6T8 K9 Y10 S11 G94 Q118 L172 Y173 K174T8-F96 HydrophobicContact CG2-CD2 3.6Å; T8-F96 HydrophobicContact CG2-CE2 3.66Å; K9-F96 PolarHBondContact O-N 3.21Å; Y10-F96 WeakPolarHBondContact CA-O 3.42Å; Y10-F96 HydrophobicContact CD1-CB 3.51Å; Y10-F96 HydrophobicContact CD1-CD2 4.32Å; Y10-F96 HydrophobicContact CD1-CG 4.17Å; Y10-F96 HydrophobicContact CE1-CB 3.71Å; Y10-F96 AromaticContact CE1-CD2 3.76Å; Y10-F96 HydrophobicContact CE1-CD2 3.76Å; Y10-F96 AromaticContact CE1-CG 3.84Å; Y10-F96 HydrophobicContact CE1-CG 3.84Å; S11-F96 PolarHBondContact N-O 2.9Å; G94-F96 VanDerWaalsContact C-N 3.26Å; F96-Q118 HydrophobicContact CD1-CG 4.25Å; F96-Q118 HydrophobicContact CE1-CG 3.71Å; F96-Q118 VanDerWaalsContact CZ-CD 3.48Å; F96-Q118 HydrophobicContact CZ-CG 4.36Å; F96-L172 HydrophobicContact CB-CD1 3.77Å; F96-L172 HydrophobicContact CD1-CD1 4.44Å; F96-L172 HydrophobicContact CG-CD1 4.48Å; F96-Y173 CarbonylContact C-O 3.58Å; F96-Y173 VanDerWaalsContact CA-O 3.26Å; F96-Y173 WeakPolarHBondContact CA-O 3.42Å; F96-K174 HydrophobicContact CD1-CG 4.06Å; F96-K174 HydrophobicContact CE1-CG 3.55Å; F96-K174 HydrophobicContact CZ-CG 4.38Å
97V98.7Very high96.1Very high0 Ų028.2 Ų28.20%014%0.143CC..EExtended strand (participates in β ladder)trans-125.3119.9-177.3-175.70000109.8S11 L13 L89 A92 Y173 R175 L178S11-V97 CarbonylContact O-C 3.52Å; S11-V97 VanDerWaalsContact O-CA 3.29Å; S11-V97 WeakPolarHBondContact O-CA 3.32Å; L13-V97 HydrophobicContact CD1-CG1 3.7Å; L13-V97 HydrophobicContact CD2-CG1 4.38Å; L13-V97 HydrophobicContact CG-CG1 3.66Å; L89-V97 HydrophobicContact CD1-CG2 3.93Å; A92-V97 HydrophobicContact CB-CG2 4.36Å; V97-Y173 PolarHBondContact N-O 3.31Å; V97-Y173 PolarHBondContact O-N 2.97Å; V97-R175 HydrophobicContact CG2-CB 3.89Å; V97-R175 HydrophobicContact CG2-CG 3.89Å; V97-L178 HydrophobicContact CB-CD2 3.87Å; V97-L178 HydrophobicContact CG1-CD2 3.63Å; V97-L178 HydrophobicContact CG2-CD2 4.44Å
98F98.7Very high96.2Very high0 Ų026 Ų260%013%0.133CC..EExtended strand (participates in β ladder)trans-84.9135.4165.4-80.5-77000110.4Y10 S11 I12 L13 L111 F114 I115 F170 R171 L172Y10-F98 HydrophobicContact CD1-CD2 4.44Å; Y10-F98 AromaticContact CD1-CE2 3.91Å; Y10-F98 HydrophobicContact CD1-CE2 3.91Å; Y10-F98 HydrophobicContact CG-CE2 4.4Å; S11-F98 PolarHBondContact O-N 3.2Å; I12-F98 HydrophobicContact CB-CB 4.31Å; I12-F98 HydrophobicContact CG1-CB 4.03Å; I12-F98 HydrophobicContact CG1-CD2 4.03Å; I12-F98 HydrophobicContact CG1-CG 4.4Å; I12-F98 HydrophobicContact CG2-CB 4.19Å; L13-F98 PolarHBondContact N-O 3.37Å; F98-L111 HydrophobicContact CB-CD2 4.48Å; F98-L111 HydrophobicContact CD1-CD2 3.57Å; F98-L111 HydrophobicContact CD2-CD2 3.87Å; F98-L111 HydrophobicContact CE1-CD2 3.54Å; F98-L111 HydrophobicContact CE2-CD2 3.86Å; F98-L111 HydrophobicContact CG-CD2 3.71Å; F98-L111 HydrophobicContact CZ-CB 4.34Å; F98-L111 HydrophobicContact CZ-CD2 3.68Å; F98-F114 HydrophobicContact CE1-CB 3.51Å; F98-F114 HydrophobicContact CE1-CD1 4.17Å; F98-F114 HydrophobicContact CE1-CD2 4.01Å; F98-F114 AromaticContact CE1-CG 3.68Å; F98-F114 HydrophobicContact CE1-CG 3.68Å; F98-F114 HydrophobicContact CZ-CB 3.69Å; F98-F114 HydrophobicContact CZ-CG 4.36Å; F98-I115 HydrophobicContact CE2-CD1 4.11Å; F98-I115 HydrophobicContact CE2-CG1 4.09Å; F98-I115 HydrophobicContact CZ-CD1 4.31Å; F98-I115 HydrophobicContact CZ-CG1 3.94Å; F98-F170 HydrophobicContact CD1-CD2 4.49Å; F98-F170 AromaticContact CD1-CE2 3.89Å; F98-F170 HydrophobicContact CD1-CE2 3.89Å; F98-F170 HydrophobicContact CE1-CE2 4.27Å; F98-R171 WeakPolarHBondContact CA-O 3.45Å; F98-L172 HydrophobicContact CD1-CB 3.99Å; F98-L172 HydrophobicContact CD1-CD1 4.01Å; F98-L172 HydrophobicContact CD2-CD1 3.74Å; F98-L172 HydrophobicContact CE1-CB 3.66Å; F98-L172 HydrophobicContact CE1-CD1 3.89Å; F98-L172 HydrophobicContact CE1-CD2 4.26Å; F98-L172 HydrophobicContact CE1-CG 4.15Å; F98-L172 HydrophobicContact CE2-CD1 3.59Å; F98-L172 HydrophobicContact CE2-CD2 4.42Å; F98-L172 HydrophobicContact CE2-CG 4.49Å; F98-L172 HydrophobicContact CG-CD1 3.96Å; F98-L172 HydrophobicContact CZ-CB 4.13Å; F98-L172 HydrophobicContact CZ-CD1 3.68Å; F98-L172 HydrophobicContact CZ-CD2 3.88Å; F98-L172 HydrophobicContact CZ-CG 4.12Å
99I97Very high96.2Very high0 Ų030.8 Ų30.80%015%0.154CC..EExtended strand (participates in β ladder)trans-111.4123.1163-71.4179.8000107.2L13 Y85 S169 F170 R171 Y173 L178L13-I99 HydrophobicContact CD1-CG1 4.42Å; Y85-I99 HydrophobicContact CD1-CD1 4.01Å; Y85-I99 HydrophobicContact CD1-CG1 3.93Å; Y85-I99 HydrophobicContact CD1-CG2 4.02Å; Y85-I99 HydrophobicContact CD2-CD1 3.94Å; Y85-I99 HydrophobicContact CD2-CG2 4.31Å; Y85-I99 HydrophobicContact CE1-CB 4.19Å; Y85-I99 HydrophobicContact CE1-CD1 4.4Å; Y85-I99 HydrophobicContact CE1-CG1 4.1Å; Y85-I99 HydrophobicContact CE1-CG2 3.33Å; Y85-I99 HydrophobicContact CE2-CD1 4.3Å; Y85-I99 HydrophobicContact CE2-CG2 3.64Å; Y85-I99 HydrophobicContact CG-CD1 3.78Å; Y85-I99 HydrophobicContact CG-CG1 4.24Å; Y85-I99 HydrophobicContact CG-CG2 4.48Å; Y85-I99 WeakPolarHBondContact OH-CG2 3.5Å; I99-S169 VanDerWaalsContact O-O 3.09Å; I99-F170 WeakPolarHBondContact O-CA 3.42Å; I99-R171 PolarHBondContact N-O 3.25Å; I99-R171 PolarHBondContact O-N 2.8Å; I99-Y173 HydrophobicContact CB-CE2 4.49Å; I99-Y173 HydrophobicContact CD1-CD2 4.4Å; I99-Y173 HydrophobicContact CD1-CE2 3.93Å; I99-Y173 HydrophobicContact CG1-CE2 4.38Å; I99-L178 HydrophobicContact CD1-CD1 3.91Å; I99-L178 HydrophobicContact CD1-CD2 3.95Å; I99-L178 HydrophobicContact CG1-CD2 4.43Å
100M96.1Very high96.3Very high0 Ų031.2 Ų31.20%015%0.154CC..  trans-151.1169.6176.470.1-179.3-6800112I12 L13 L14 P15 I30 H106 P108 L111 F170I12-M100 HydrophobicContact CG2-CG 4.07Å; I12-M100 HydrophobicContact CG2-SD 3.79Å; L13-M100 PolarHBondContact O-N 3.1Å; L14-M100 HydrophobicContact CD2-CG 3.38Å; L14-M100 HydrophobicContact CD2-SD 4.07Å; P15-M100 VanDerWaalsContact CD-O 3.3Å; P15-M100 WeakPolarHBondContact CD-O 3.38Å; I30-M100 HydrophobicContact CD1-SD 4.35Å; M100-H106 HydrophobicContact CB-CB 4.15Å; M100-H106 HydrophobicContact CE-CB 3.87Å; M100-H106 WeakPolarHBondContact CE-O 3.46Å; M100-P108 HydrophobicContact CE-CG 4.02Å; M100-L111 HydrophobicContact SD-CD2 4.27Å; M100-F170 HydrophobicContact CB-CD2 3.65Å; M100-F170 HydrophobicContact CB-CE2 3.75Å; M100-F170 HydrophobicContact CB-CG 4.34Å; M100-F170 HydrophobicContact CB-CZ 4.48Å; M100-F170 HydrophobicContact CE-CE2 4.45Å; M100-F170 HydrophobicContact CE-CZ 4.17Å; M100-F170 HydrophobicContact CG-CE2 4.46Å; M100-F170 HydrophobicContact SD-CE2 4.06Å; M100-F170 HydrophobicContact SD-CZ 4.22Å
101D93.9Very high96.4Very high35 Ų3524.2 Ų24.219%0.18712%0.121CC..  trans-94.3144.2-179.5-63.4-14.4000109.3D103 H106D101-D103 VanDerWaalsContact C-N 3.33Å; D101-H106 WeakPolarHBondContact CB-ND1 3.39Å; D101-H106 VanDerWaalsContact CG-CE1 3.44Å; D101-H106 PolarHBondContact N-ND1 3.32Å; D101-H106 IonicContact OD1-CE1 2.69Å; D101-H106 IonicContact OD1-ND1 3.6Å; D101-H106 IonicContact OD2-CE1 2.8Å; D101-H106 PolarHBondContact OD2-CE1 3.06Å; D101-H106 IonicContact OD2-ND1 2.96Å; D101-H106 PolarHBondContact OD2-ND1 3.12Å
102A94.1Very high96.4Very high2 Ų221.4 Ų21.42%0.01711%0.11CC..THydrogen-bonded Turntrans-82.1-7.6-178.200000114.1L14 T16 E19 N22 L23 L104L14-A102 HydrophobicContact CB-CB 4.43Å; T16-A102 HydrophobicContact CG2-CB 3.81Å; E19-A102 HydrophobicContact CB-CB 4.49Å; E19-A102 HydrophobicContact CG-CB 4.39Å; N22-A102 VanDerWaalsContact CB-O 3.31Å; N22-A102 WeakPolarHBondContact CB-O 3.49Å; L23-A102 HydrophobicContact CD1-CB 4.34Å; A102-L104 VanDerWaalsContact C-N 3.28Å; A102-L104 PolarHBondContact O-N 2.93Å
103D92.2Very high96.4Very high7 Ų724.5 Ų24.54%0.03713%0.125CC..THydrogen-bonded Turntrans-87.612.9-17269.9-1.4000114.7D101 S105 R217 L218D101-D103 VanDerWaalsContact C-N 3.33Å; D103-S105 PolarHBondContact O-N 3.3Å; D103-S105 WeakPolarHBondContact OD1-CB 3.41Å; D103-S105 PolarHBondContact OD1-N 3.41Å; D103-S105 VanDerWaalsContact OD1-N 3.09Å; D103-S105 PolarHBondContact OD1-OG 3.15Å; D103-R217 HydrophobicContact CB-CB 3.91Å; D103-R217 WeakPolarHBondContact OD2-CB 3.42Å; D103-R217 IonicContact OD2-CZ 2.73Å; D103-R217 IonicContact OD2-NE 2.74Å; D103-R217 PolarHBondContact OD2-NE 3.3Å; D103-R217 IonicContact OD2-NH2 3.58Å; D103-R217 PolarHBondContact OD2-NH2 2.88Å; D103-L218 PolarHBondContact O-N 3.42Å
104L92Very high96.5Very high23 Ų2320.9 Ų20.912%0.1210%0.102CC..SBendtrans64.65.3-177.3-60.1171.8000115.6V25 C26 L29 A102 H106 L218V25-L104 HydrophobicContact CB-CD1 4.14Å; V25-L104 HydrophobicContact CG1-CD1 3.82Å; C26-L104 HydrophobicContact CB-CD2 3.81Å; C26-L104 HydrophobicContact CB-CG 4.49Å; L29-L104 HydrophobicContact CD1-CD2 3.9Å; A102-L104 VanDerWaalsContact C-N 3.28Å; A102-L104 PolarHBondContact O-N 2.93Å; L104-H106 PolarHBondContact O-N 3.17Å; L104-L218 HydrophobicContact CD1-CB 4.34Å; L104-L218 HydrophobicContact CD1-CD2 3.79Å
105S92.5Very high96.5Very high2 Ų221.1 Ų21.11%0.01410%0.104CC..SBendtrans-60.3-31.3168.3-74.70000112.1D103 V215 R217D103-S105 PolarHBondContact O-N 3.3Å; D103-S105 WeakPolarHBondContact OD1-CB 3.41Å; D103-S105 PolarHBondContact OD1-N 3.41Å; D103-S105 VanDerWaalsContact OD1-N 3.09Å; D103-S105 PolarHBondContact OD1-OG 3.15Å; S105-V215 WeakPolarHBondContact CA-O 3.41Å; S105-V215 WeakPolarHBondContact CB-O 3.44Å; S105-V215 PolarHBondContact O-N 3.13Å; S105-V215 PolarHBondContact OG-O 3.42Å; S105-R217 PolarHBondContact OG-N 2.84Å
106H95Very high96.6Very high3 Ų320.7 Ų20.71%0.01411%0.109CC..SBendtrans-98.295.8166.3-62.1130.8000109.7M100 D101 L104 P108 S169 F170 F214M100-H106 HydrophobicContact CB-CB 4.15Å; M100-H106 HydrophobicContact CE-CB 3.87Å; M100-H106 WeakPolarHBondContact CE-O 3.46Å; D101-H106 WeakPolarHBondContact CB-ND1 3.39Å; D101-H106 VanDerWaalsContact CG-CE1 3.44Å; D101-H106 PolarHBondContact N-ND1 3.32Å; D101-H106 IonicContact OD1-CE1 2.69Å; D101-H106 IonicContact OD1-ND1 3.6Å; D101-H106 IonicContact OD2-CE1 2.8Å; D101-H106 PolarHBondContact OD2-CE1 3.06Å; D101-H106 IonicContact OD2-ND1 2.96Å; D101-H106 PolarHBondContact OD2-ND1 3.12Å; L104-H106 PolarHBondContact O-N 3.17Å; H106-P108 WeakPolarHBondContact O-CD 3.43Å; H106-S169 PolarHBondContact CE1-OG 3.1Å; H106-F170 HydrophobicContact CB-CB 4.37Å; H106-F170 HydrophobicContact CB-CD1 3.66Å; H106-F170 HydrophobicContact CB-CE1 3.98Å; H106-F170 HydrophobicContact CB-CG 4.02Å; H106-F170 VanDerWaalsContact CD2-CB 3.46Å; H106-F170 WeakPolarHBondContact CD2-CB 3.43Å; H106-F170 AromaticContact CD2-CD1 3.91Å; H106-F170 AromaticContact CG-CD1 3.91Å; H106-F170 AromaticContact CG-CG 3.94Å; H106-F214 AromaticContact CD2-CD2 3.73Å; H106-F214 AromaticContact CD2-CE2 3.92Å; H106-F214 AromaticContact CE1-CE2 3.82Å; H106-F214 AromaticContact NE2-CD2 3.42Å; H106-F214 WeakPolarHBondContact NE2-CD2 3.22Å; H106-F214 AromaticContact NE2-CE2 3.33Å; H106-F214 VanDerWaalsContact NE2-CE2 3.33Å; H106-F214 WeakPolarHBondContact NE2-CE2 3.14Å
107H96.4Very high96.5Very high60 Ų6022.6 Ų22.628%0.27812%0.118SC..  trans-69127.3-178.9-166.6-47000110.6H33 K109 Y110H33-H107 AromaticContact NE2-CE1 3.92Å; H107-K109 HydrophobicContact CB-CD 4.41Å; H107-K109 HydrophobicContact CB-CG 4.12Å; H107-K109 WeakPolarHBondContact ND1-CB 3.23Å; H107-K109 WeakPolarHBondContact ND1-CG 3.11Å; H107-K109 PolarHBondContact ND1-N 3.43Å; H107-K109 VanDerWaalsContact ND1-N 3.11Å; H107-K109 PolarHBondContact O-N 2.92Å; H107-Y110 HydrophobicContact CB-CD2 4.28Å; H107-Y110 HydrophobicContact CB-CE2 4.22Å; H107-Y110 VanDerWaalsContact O-CD2 3.32Å; H107-Y110 WeakPolarHBondContact O-CD2 3.3Å; H107-Y110 PolarHBondContact O-N 3.45Å
108P97.5Very high96.5Very high0 Ų023.1 Ų23.10%012%0.121CC..G310 helixtrans-60.2-8.8-179.5-27.936000116.4L29 I30 M100 H106 Y110 L111L29-P108 HydrophobicContact CB-CB 4.06Å; L29-P108 HydrophobicContact CB-CG 3.8Å; I30-P108 HydrophobicContact CB-CB 4.49Å; I30-P108 HydrophobicContact CG1-CB 3.76Å; I30-P108 HydrophobicContact CG1-CG 3.72Å; M100-P108 HydrophobicContact CE-CG 4.02Å; H106-P108 WeakPolarHBondContact O-CD 3.43Å; P108-Y110 PolarHBondContact O-N 3.33Å; P108-L111 HydrophobicContact CB-CD1 4Å; P108-L111 WeakPolarHBondContact O-CB 3.27Å; P108-L111 VanDerWaalsContact O-CG 3.29Å; P108-L111 WeakPolarHBondContact O-CG 3.32Å; P108-L111 PolarHBondContact O-N 2.94Å; P108-L111 VanDerWaalsContact O-N 3.13Å
109K97.4Very high96.4Very high100 Ų10028 Ų2844%0.43515%0.146SC..G310 helixtrans-64.8-20.1178.771.4-175.9-177.4179.10112.9H33 H107 P112H33-K109 VanDerWaalsContact CD2-CA 3.41Å; H33-K109 WeakPolarHBondContact CD2-CA 3.28Å; H33-K109 PolarHBondContact CD2-N 3.38Å; H33-K109 WeakPolarHBondContact NE2-CA 3.34Å; H33-K109 WeakPolarHBondContact NE2-CB 3.5Å; H107-K109 HydrophobicContact CB-CD 4.41Å; H107-K109 HydrophobicContact CB-CG 4.12Å; H107-K109 WeakPolarHBondContact ND1-CB 3.23Å; H107-K109 WeakPolarHBondContact ND1-CG 3.11Å; H107-K109 PolarHBondContact ND1-N 3.43Å; H107-K109 VanDerWaalsContact ND1-N 3.11Å; H107-K109 PolarHBondContact O-N 2.92Å; K109-P112 WeakPolarHBondContact O-CD 3.41Å
110Y98.2Very high96.5Very high30 Ų3032 Ų3212%0.11818%0.179CC..G310 helixtrans-82.7-15.9179.2-63.3-69.1000112.4H107 P108 L113 F114 F170 I212 V213H107-Y110 HydrophobicContact CB-CD2 4.28Å; H107-Y110 HydrophobicContact CB-CE2 4.22Å; H107-Y110 VanDerWaalsContact O-CD2 3.32Å; H107-Y110 WeakPolarHBondContact O-CD2 3.3Å; H107-Y110 PolarHBondContact O-N 3.45Å; P108-Y110 PolarHBondContact O-N 3.33Å; Y110-L113 WeakPolarHBondContact O-CA 3.44Å; Y110-L113 WeakPolarHBondContact O-CB 3.37Å; Y110-L113 PolarHBondContact O-N 2.91Å; Y110-F114 VanDerWaalsContact O-CD2 3.32Å; Y110-F114 WeakPolarHBondContact O-CD2 3.09Å; Y110-F114 PolarHBondContact O-N 3.12Å; Y110-F170 HydrophobicContact CD2-CE1 4.44Å; Y110-I212 HydrophobicContact CD1-CB 4.5Å; Y110-I212 HydrophobicContact CD1-CG2 3.94Å; Y110-I212 HydrophobicContact CD2-CB 4.19Å; Y110-I212 HydrophobicContact CD2-CG2 4.04Å; Y110-I212 HydrophobicContact CE1-CB 4.4Å; Y110-I212 HydrophobicContact CE1-CG2 4.3Å; Y110-I212 HydrophobicContact CE2-CB 4.11Å; Y110-I212 HydrophobicContact CE2-CG2 4.4Å; Y110-I212 HydrophobicContact CG-CB 4.4Å; Y110-I212 HydrophobicContact CG-CG2 3.8Å; Y110-V213 PolarHBondContact OH-N 3.26Å; Y110-V213 VanDerWaalsContact OH-N 3.11Å
111L98.5Very high96.5Very high0 Ų033.8 Ų33.80%020%0.198CC..Hα-helixtrans-51.9-47.2-177.8-65169.5000112.8I12 I30 M34 F98 M100 P108 L113 F114 I115 F170I12-L111 HydrophobicContact CD1-CD1 4Å; I30-L111 HydrophobicContact CG1-CD1 4.14Å; I30-L111 HydrophobicContact CG2-CD1 4.29Å; M34-L111 HydrophobicContact CG-CD1 4.35Å; M34-L111 HydrophobicContact SD-CB 4.08Å; M34-L111 HydrophobicContact SD-CD1 4.11Å; F98-L111 HydrophobicContact CB-CD2 4.48Å; F98-L111 HydrophobicContact CD1-CD2 3.57Å; F98-L111 HydrophobicContact CD2-CD2 3.87Å; F98-L111 HydrophobicContact CE1-CD2 3.54Å; F98-L111 HydrophobicContact CE2-CD2 3.86Å; F98-L111 HydrophobicContact CG-CD2 3.71Å; F98-L111 HydrophobicContact CZ-CB 4.34Å; F98-L111 HydrophobicContact CZ-CD2 3.68Å; M100-L111 HydrophobicContact SD-CD2 4.27Å; P108-L111 HydrophobicContact CB-CD1 4Å; P108-L111 WeakPolarHBondContact O-CB 3.27Å; P108-L111 VanDerWaalsContact O-CG 3.29Å; P108-L111 WeakPolarHBondContact O-CG 3.32Å; P108-L111 PolarHBondContact O-N 2.94Å; P108-L111 VanDerWaalsContact O-N 3.13Å; L111-L113 VanDerWaalsContact C-N 3.27Å; L111-L113 PolarHBondContact O-N 3.36Å; L111-F114 PolarHBondContact O-N 3.06Å; L111-I115 WeakPolarHBondContact O-CG1 3.36Å; L111-I115 PolarHBondContact O-N 3.12Å; L111-I115 VanDerWaalsContact O-N 3.15Å; L111-F170 HydrophobicContact CD2-CE2 3.73Å; L111-F170 HydrophobicContact CD2-CZ 3.69Å; L111-F170 HydrophobicContact CG-CZ 4.19Å
112P98.1Very high96.7Very high17 Ų1739.9 Ų39.911%0.1122%0.222CC..Hα-helixtrans-63.9-30.5177.2-22.335.7000113.5H33 K109 I115 A116H33-P112 HydrophobicContact CB-CG 4.38Å; K109-P112 WeakPolarHBondContact O-CD 3.41Å; P112-I115 PolarHBondContact O-N 2.99Å; P112-A116 WeakPolarHBondContact O-CB 3.44Å; P112-A116 PolarHBondContact O-N 3.43Å
113L97.8Very high96.9Very high74 Ų7441.8 Ų41.839%0.38723%0.23SC..Hα-helixtrans-71.6-40.5178.1-175.558.9000111.6Y110 L111 I115 A116 E117 I210Y110-L113 WeakPolarHBondContact O-CA 3.44Å; Y110-L113 WeakPolarHBondContact O-CB 3.37Å; Y110-L113 PolarHBondContact O-N 2.91Å; L111-L113 VanDerWaalsContact C-N 3.27Å; L111-L113 PolarHBondContact O-N 3.36Å; L113-I115 VanDerWaalsContact C-N 3.27Å; L113-I115 PolarHBondContact O-N 2.69Å; L113-A116 PolarHBondContact O-N 2.86Å; L113-E117 WeakPolarHBondContact O-CB 3.21Å; L113-E117 PolarHBondContact O-N 3.39Å; L113-I210 HydrophobicContact CB-CD1 3.95Å; L113-I210 HydrophobicContact CD2-CB 4.22Å; L113-I210 HydrophobicContact CD2-CD1 3.92Å; L113-I210 HydrophobicContact CG-CB 4.19Å; L113-I210 HydrophobicContact CG-CD1 3.76Å; L113-I210 HydrophobicContact CG-CG2 4.11Å
114F98.7Very high97.2Very high0 Ų042.6 Ų42.60%024%0.235CC..Hα-helixtrans-57.9-43.7171.5-83.5-91000111.1F98 Y110 L111 E117 Q118 V126 I127 G128 F170 L172 I210 I212F98-F114 HydrophobicContact CE1-CB 3.51Å; F98-F114 HydrophobicContact CE1-CD1 4.17Å; F98-F114 HydrophobicContact CE1-CD2 4.01Å; F98-F114 AromaticContact CE1-CG 3.68Å; F98-F114 HydrophobicContact CE1-CG 3.68Å; F98-F114 HydrophobicContact CZ-CB 3.69Å; F98-F114 HydrophobicContact CZ-CG 4.36Å; Y110-F114 VanDerWaalsContact O-CD2 3.32Å; Y110-F114 WeakPolarHBondContact O-CD2 3.09Å; Y110-F114 PolarHBondContact O-N 3.12Å; L111-F114 PolarHBondContact O-N 3.06Å; F114-E117 PolarHBondContact O-N 2.91Å; F114-Q118 WeakPolarHBondContact O-CB 3.3Å; F114-Q118 PolarHBondContact O-N 3.23Å; F114-V126 HydrophobicContact CD1-CB 3.93Å; F114-V126 HydrophobicContact CD1-CG1 3.62Å; F114-V126 HydrophobicContact CE1-CG1 4.25Å; F114-V126 WeakPolarHBondContact CE1-O 3.32Å; F114-V126 HydrophobicContact CG-CG1 4.42Å; F114-I127 VanDerWaalsContact CE1-C 3.5Å; F114-G128 VanDerWaalsContact CE1-N 3.26Å; F114-G128 VanDerWaalsContact CZ-CA 3.45Å; F114-G128 VanDerWaalsContact CZ-N 3.31Å; F114-F170 HydrophobicContact CD2-CE1 4.42Å; F114-F170 HydrophobicContact CD2-CE2 4.29Å; F114-F170 HydrophobicContact CD2-CZ 4.18Å; F114-F170 WeakPolarHBondContact CE1-O 3.44Å; F114-F170 AromaticContact CE2-CD1 3.61Å; F114-F170 HydrophobicContact CE2-CD1 3.61Å; F114-F170 AromaticContact CE2-CD2 3.83Å; F114-F170 HydrophobicContact CE2-CD2 3.83Å; F114-F170 AromaticContact CE2-CE1 3.61Å; F114-F170 HydrophobicContact CE2-CE1 3.61Å; F114-F170 AromaticContact CE2-CE2 3.81Å; F114-F170 HydrophobicContact CE2-CE2 3.81Å; F114-F170 AromaticContact CE2-CG 3.74Å; F114-F170 HydrophobicContact CE2-CG 3.74Å; F114-F170 AromaticContact CE2-CZ 3.71Å; F114-F170 HydrophobicContact CE2-CZ 3.71Å; F114-F170 HydrophobicContact CZ-CB 4.06Å; F114-F170 AromaticContact CZ-CD1 3.9Å; F114-F170 HydrophobicContact CZ-CD1 3.9Å; F114-F170 AromaticContact CZ-CD2 3.8Å; F114-F170 HydrophobicContact CZ-CD2 3.8Å; F114-F170 HydrophobicContact CZ-CE1 4.34Å; F114-F170 HydrophobicContact CZ-CE2 4.24Å; F114-F170 AromaticContact CZ-CG 3.62Å; F114-F170 HydrophobicContact CZ-CG 3.62Å; F114-F170 HydrophobicContact CZ-CZ 4.5Å; F114-F170 WeakPolarHBondContact CZ-O 3.35Å; F114-L172 HydrophobicContact CB-CB 4.3Å; F114-L172 HydrophobicContact CB-CD2 4.13Å; F114-L172 HydrophobicContact CD1-CB 3.97Å; F114-I210 HydrophobicContact CB-CD1 4.36Å; F114-I210 HydrophobicContact CD1-CD1 4.12Å; F114-I210 HydrophobicContact CD1-CG1 4.3Å; F114-I210 HydrophobicContact CD2-CD1 3.31Å; F114-I210 HydrophobicContact CD2-CG1 4.25Å; F114-I210 HydrophobicContact CE1-CD1 4.27Å; F114-I210 HydrophobicContact CE1-CG1 4.21Å; F114-I210 HydrophobicContact CE2-CD1 3.48Å; F114-I210 VanDerWaalsContact CE2-CD1 3.48Å; F114-I210 HydrophobicContact CE2-CG1 4.14Å; F114-I210 HydrophobicContact CG-CD1 3.63Å; F114-I210 HydrophobicContact CG-CG1 4.31Å; F114-I210 HydrophobicContact CZ-CD1 3.97Å; F114-I210 HydrophobicContact CZ-CG1 4.12Å; F114-I212 HydrophobicContact CE2-CG2 4.27Å; F114-I212 HydrophobicContact CZ-CG2 4.49Å
115I98.4Very high97.5Very high5 Ų541.6 Ų41.63%0.02623%0.229CC..Hα-helixtrans-65.7-45.6180-68.7168.5000110.9Y10 M34 L39 F98 L111 P112 L113 E117 Q118 L119 L172Y10-I115 HydrophobicContact CD1-CD1 3.99Å; Y10-I115 HydrophobicContact CD1-CG1 4.06Å; Y10-I115 HydrophobicContact CD2-CD1 4.02Å; Y10-I115 HydrophobicContact CE1-CD1 3.8Å; Y10-I115 HydrophobicContact CE1-CG1 3.55Å; Y10-I115 HydrophobicContact CE1-CG2 4.38Å; Y10-I115 HydrophobicContact CE2-CD1 3.81Å; Y10-I115 HydrophobicContact CE2-CG1 4.34Å; Y10-I115 HydrophobicContact CE2-CG2 4.49Å; Y10-I115 HydrophobicContact CG-CD1 4.12Å; Y10-I115 VanDerWaalsContact OH-CG2 3.24Å; Y10-I115 WeakPolarHBondContact OH-CG2 3.22Å; M34-I115 HydrophobicContact CE-CD1 4.14Å; M34-I115 HydrophobicContact SD-CD1 4.38Å; L39-I115 HydrophobicContact CD1-CD1 3.5Å; L39-I115 HydrophobicContact CD2-CD1 4.26Å; L39-I115 HydrophobicContact CD2-CG2 4.38Å; L39-I115 HydrophobicContact CG-CD1 4.42Å; F98-I115 HydrophobicContact CE2-CD1 4.11Å; F98-I115 HydrophobicContact CE2-CG1 4.09Å; F98-I115 HydrophobicContact CZ-CD1 4.31Å; F98-I115 HydrophobicContact CZ-CG1 3.94Å; L111-I115 WeakPolarHBondContact O-CG1 3.36Å; L111-I115 PolarHBondContact O-N 3.12Å; L111-I115 VanDerWaalsContact O-N 3.15Å; P112-I115 PolarHBondContact O-N 2.99Å; L113-I115 VanDerWaalsContact C-N 3.27Å; L113-I115 PolarHBondContact O-N 2.69Å; I115-E117 VanDerWaalsContact C-N 3.34Å; I115-E117 PolarHBondContact O-N 2.96Å; I115-Q118 PolarHBondContact O-N 3.24Å; I115-L119 HydrophobicContact CG2-CD1 3.81Å; I115-L119 HydrophobicContact CG2-CG 4.34Å; I115-L119 WeakPolarHBondContact O-CB 3.13Å; I115-L119 VanDerWaalsContact O-CG 3.27Å; I115-L119 WeakPolarHBondContact O-CG 3.44Å; I115-L119 PolarHBondContact O-N 3.36Å; I115-L172 HydrophobicContact CG1-CD2 4.33Å
116A97.9Very high97.8Very high54 Ų5441.5 Ų41.545%0.44623%0.229SC..Hα-helixtrans-59.2-45.2177.100000111.7P112 L113 L119 A120P112-A116 WeakPolarHBondContact O-CB 3.44Å; P112-A116 PolarHBondContact O-N 3.43Å; L113-A116 PolarHBondContact O-N 2.86Å; A116-L119 PolarHBondContact O-N 3.4Å; A116-A120 VanDerWaalsContact O-CB 3.32Å; A116-A120 WeakPolarHBondContact O-CB 3.01Å; A116-A120 PolarHBondContact O-N 2.95Å
117E98.2Very high98Very high62 Ų6241.4 Ų41.429%0.2923%0.228SC..Hα-helixtrans-63.5-44.8177.4-171.164.6-161.200111.7L113 F114 I115 L119 A120 G121 F123 V126 I210L113-E117 WeakPolarHBondContact O-CB 3.21Å; L113-E117 PolarHBondContact O-N 3.39Å; F114-E117 PolarHBondContact O-N 2.91Å; I115-E117 VanDerWaalsContact C-N 3.34Å; I115-E117 PolarHBondContact O-N 2.96Å; E117-L119 VanDerWaalsContact C-N 3.34Å; E117-L119 PolarHBondContact O-N 3.2Å; E117-A120 PolarHBondContact O-N 3.35Å; E117-G121 PolarHBondContact O-N 3.39Å; E117-F123 HydrophobicContact CG-CD2 4.23Å; E117-F123 HydrophobicContact CG-CE2 4.05Å; E117-F123 WeakPolarHBondContact O-CD2 3.31Å; E117-F123 WeakPolarHBondContact OE1-CE2 3.42Å; E117-V126 HydrophobicContact CB-CG1 4.05Å; E117-V126 HydrophobicContact CB-CG2 4.46Å; E117-V126 HydrophobicContact CG-CG1 3.94Å; E117-V126 HydrophobicContact CG-CG2 4.37Å; E117-I210 HydrophobicContact CB-CG2 3.54Å; E117-I210 HydrophobicContact CG-CG2 3.66Å
118Q98.3Very high98Very high11 Ų1138.6 Ų38.65%0.05122%0.216CC..Hα-helixtrans-58.6-46.7176.8-170.1-70.5-46.200110.8F96 F114 I115 K122 F123 V126 L172F96-Q118 HydrophobicContact CD1-CG 4.25Å; F96-Q118 HydrophobicContact CE1-CG 3.71Å; F96-Q118 VanDerWaalsContact CZ-CD 3.48Å; F96-Q118 HydrophobicContact CZ-CG 4.36Å; F114-Q118 WeakPolarHBondContact O-CB 3.3Å; F114-Q118 PolarHBondContact O-N 3.23Å; I115-Q118 PolarHBondContact O-N 3.24Å; Q118-K122 WeakPolarHBondContact O-CA 3.4Å; Q118-K122 PolarHBondContact O-N 3.14Å; Q118-F123 PolarHBondContact NE2-O 3.32Å; Q118-F123 VanDerWaalsContact NE2-O 3.1Å; Q118-F123 PolarHBondContact O-N 2.98Å; Q118-V126 HydrophobicContact CB-CG2 3.74Å; Q118-V126 HydrophobicContact CG-CG2 4.29Å; Q118-L172 HydrophobicContact CB-CD2 3.77Å; Q118-L172 HydrophobicContact CG-CD2 4Å
119L96.8Very high98Very high104 Ų10438.6 Ų38.655%0.54522%0.216SC..Hα-helixtrans-66.9-40.7-179.5-71.4171.6000112I115 A116 E117I115-L119 HydrophobicContact CG2-CD1 3.81Å; I115-L119 HydrophobicContact CG2-CG 4.34Å; I115-L119 WeakPolarHBondContact O-CB 3.13Å; I115-L119 VanDerWaalsContact O-CG 3.27Å; I115-L119 WeakPolarHBondContact O-CG 3.44Å; I115-L119 PolarHBondContact O-N 3.36Å; A116-L119 PolarHBondContact O-N 3.4Å; E117-L119 VanDerWaalsContact C-N 3.34Å; E117-L119 PolarHBondContact O-N 3.2Å
120A97.8Very high97.9Very high84 Ų8435.1 Ų35.169%0.69420%0.2SC*.Hα-helixtrans-66.7-47.6-178.800000112.2A116 E117A116-A120 VanDerWaalsContact O-CB 3.32Å; A116-A120 WeakPolarHBondContact O-CB 3.01Å; A116-A120 PolarHBondContact O-N 2.95Å; E117-A120 PolarHBondContact O-N 3.35Å
121G97.5Very high97.6Very high37 Ų3736.6 Ų36.638%0.38121%0.212SC..Hα-helixtrans-92.4-8.3-178.500000115.1E117 F123E117-G121 PolarHBondContact O-N 3.39Å; G121-F123 PolarHBondContact O-N 3.22Å
122K97.4Very high97.4Very high162 Ų16238.7 Ų38.770%0.70422%0.223SC*.THydrogen-bonded Turntrans54.629.6-170.6-59.8179.11791770113.3Q118Q118-K122 WeakPolarHBondContact O-CA 3.4Å; Q118-K122 PolarHBondContact O-N 3.14Å
123F98.4Very high97.2Very high42 Ų4243 Ų4318%0.18425%0.251CS..  trans-61.2147.8-174.8-61.2-66.3000112.2E117 Q118 G121 I125 V126 K174 T206E117-F123 HydrophobicContact CG-CD2 4.23Å; E117-F123 HydrophobicContact CG-CE2 4.05Å; E117-F123 WeakPolarHBondContact O-CD2 3.31Å; E117-F123 WeakPolarHBondContact OE1-CE2 3.42Å; Q118-F123 PolarHBondContact NE2-O 3.32Å; Q118-F123 VanDerWaalsContact NE2-O 3.1Å; Q118-F123 PolarHBondContact O-N 2.98Å; G121-F123 PolarHBondContact O-N 3.22Å; F123-I125 WeakPolarHBondContact CB-O 3.46Å; F123-V126 HydrophobicContact CB-CG2 3.99Å; F123-V126 HydrophobicContact CD2-CG2 4.16Å; F123-V126 HydrophobicContact CG-CG2 4.49Å; F123-K174 WeakPolarHBondContact O-CE 3.46Å; F123-T206 WeakPolarHBondContact CA-OG1 2.99Å
124D98.5Very high96.9Very high25 Ų2545.2 Ų45.213%0.13427%0.271CS..SBendtrans-75.5-33.9171.5-62-53.1000111.2K174 V177 Y205 T206D124-K174 PolarHBondContact O-N 2.73Å; D124-K174 WeakPolarHBondContact OD1-CD 3.2Å; D124-K174 WeakPolarHBondContact OD1-CE 3.06Å; D124-K174 IonicContact OD1-NZ 2.74Å; D124-K174 PolarHBondContact OD1-NZ 2.94Å; D124-V177 HydrophobicContact CB-CG1 4.37Å; D124-V177 HydrophobicContact CB-CG2 4.05Å; D124-Y205 HydrophobicContact CB-CD1 4.14Å; D124-Y205 HydrophobicContact CB-CG 4.37Å; D124-T206 WeakPolarHBondContact CB-O 3.41Å; D124-T206 PolarHBondContact N-O 3.47Å; D124-T206 VanDerWaalsContact N-O 3.09Å; D124-T206 PolarHBondContact N-OG1 3.02Å; D124-T206 PolarHBondContact OD2-N 3.05Å; D124-T206 PolarHBondContact OD2-OG1 2.92Å
125I98.5Very high96.7Very high1 Ų146.2 Ų46.21%0.00528%0.282CS..EExtended strand (participates in β ladder)trans-136138.7179-48.9177.3000108.7F123 I127 L172 Y173 V177 L181 A200 T206 I207 G208F123-I125 WeakPolarHBondContact CB-O 3.46Å; I125-I127 HydrophobicContact CG2-CG2 3.97Å; I125-L172 CarbonylContact C-O 3.45Å; I125-L172 VanDerWaalsContact CA-O 3.27Å; I125-L172 WeakPolarHBondContact CA-O 3.33Å; I125-Y173 HydrophobicContact CB-CD1 4.33Å; I125-Y173 HydrophobicContact CD1-CD1 3.87Å; I125-Y173 HydrophobicContact CD1-CE1 3.76Å; I125-Y173 HydrophobicContact CG1-CD1 3.68Å; I125-Y173 HydrophobicContact CG1-CE1 4.03Å; I125-Y173 HydrophobicContact CG2-CD1 3.89Å; I125-Y173 HydrophobicContact CG2-CE1 3.78Å; I125-Y173 HydrophobicContact CG2-CG 4.47Å; I125-V177 HydrophobicContact CD1-CG1 4.23Å; I125-V177 HydrophobicContact CG1-CG1 4.09Å; I125-L181 HydrophobicContact CD1-CD1 4.01Å; I125-A200 HydrophobicContact CD1-CB 3.36Å; I125-T206 PolarHBondContact N-O 3.17Å; I125-I207 HydrophobicContact CB-CG1 4.33Å; I125-I207 HydrophobicContact CB-CG2 4.38Å; I125-I207 HydrophobicContact CD1-CG1 4.43Å; I125-I207 CarbonylContact O-C 3.53Å; I125-I207 WeakPolarHBondContact O-CA 3.27Å; I125-G208 PolarHBondContact O-N 2.6Å
126V98.6Very high96.4Very high0 Ų047 Ų470%029%0.29CS..EExtended strand (participates in β ladder)trans-121.7129.3164.6-177.40000108.7F114 E117 Q118 F123 R171 L172 G208 I210F114-V126 HydrophobicContact CD1-CB 3.93Å; F114-V126 HydrophobicContact CD1-CG1 3.62Å; F114-V126 HydrophobicContact CE1-CG1 4.25Å; F114-V126 WeakPolarHBondContact CE1-O 3.32Å; F114-V126 HydrophobicContact CG-CG1 4.42Å; E117-V126 HydrophobicContact CB-CG1 4.05Å; E117-V126 HydrophobicContact CB-CG2 4.46Å; E117-V126 HydrophobicContact CG-CG1 3.94Å; E117-V126 HydrophobicContact CG-CG2 4.37Å; Q118-V126 HydrophobicContact CB-CG2 3.74Å; Q118-V126 HydrophobicContact CG-CG2 4.29Å; F123-V126 HydrophobicContact CB-CG2 3.99Å; F123-V126 HydrophobicContact CD2-CG2 4.16Å; F123-V126 HydrophobicContact CG-CG2 4.49Å; V126-R171 CarbonylContact O-C 3.53Å; V126-R171 WeakPolarHBondContact O-CA 3.46Å; V126-L172 HydrophobicContact CB-CB 4.27Å; V126-L172 PolarHBondContact N-O 3.09Å; V126-L172 PolarHBondContact O-N 3.3Å; V126-G208 WeakPolarHBondContact CA-O 3.33Å; V126-I210 HydrophobicContact CG1-CG2 4.01Å
127I98.2Very high96Very high1 Ų146 Ų461%0.00528%0.279CS..EExtended strand (participates in β ladder)trans-108.8144179.469.1170000111.7F114 I125 V163 R171 I197 I207 G208 E209 I210F114-I127 VanDerWaalsContact CE1-C 3.5Å; I125-I127 HydrophobicContact CG2-CG2 3.97Å; I127-V163 HydrophobicContact CD1-CB 3.89Å; I127-V163 HydrophobicContact CD1-CG1 4.38Å; I127-V163 HydrophobicContact CD1-CG2 3.99Å; I127-R171 HydrophobicContact CB-CG 4.28Å; I127-R171 HydrophobicContact CG2-CG 3.9Å; I127-I197 HydrophobicContact CG2-CD1 3.83Å; I127-I207 HydrophobicContact CG1-CG2 4.44Å; I127-I207 HydrophobicContact CG2-CG2 4.08Å; I127-G208 PolarHBondContact N-O 2.96Å; I127-E209 HydrophobicContact CD1-CG 4.06Å; I127-E209 WeakPolarHBondContact CD1-OE1 3.39Å; I127-E209 HydrophobicContact CG1-CB 4.21Å; I127-E209 HydrophobicContact CG1-CG 3.77Å; I127-E209 WeakPolarHBondContact O-CA 3.21Å; I127-I210 PolarHBondContact O-N 3.24Å
128G97.9Very high95.6Very high1 Ų144.9 Ų44.91%0.0128%0.281CS..EExtended strand (participates in β ladder)trans-86108.7169.500000109.8F114 F170F114-G128 VanDerWaalsContact CE1-N 3.26Å; F114-G128 VanDerWaalsContact CZ-CA 3.45Å; F114-G128 VanDerWaalsContact CZ-N 3.31Å; G128-F170 PolarHBondContact N-O 3.27Å
129S97Very high95Very high0 Ų047.7 Ų47.70%031%0.312CS..EExtended strand (participates in β ladder)trans-93128.4-179.5176.10000112.6V131 L132 S164 I210 P211 I212S129-V131 VanDerWaalsContact C-N 3.29Å; S129-V131 PolarHBondContact OG-N 3.04Å; S129-L132 PolarHBondContact OG-N 3.28Å; S129-L132 VanDerWaalsContact OG-N 3.08Å; S129-S164 WeakPolarHBondContact CB-OG 3.2Å; S129-S164 PolarHBondContact OG-OG 3.4Å; S129-I210 PolarHBondContact N-O 3.42Å; S129-P211 WeakPolarHBondContact O-CA 3.33Å; S129-I212 PolarHBondContact O-N 2.98Å
130R94.9Very high94.4Very high27 Ų2743.9 Ų43.910%0.10229%0.29CS..SBendtrans-83.6-8.4170-59.8163.9-65.9-175.92.1112.2G135 G136 V137 D165 T167 I212 F214R130-G135 CarbonylContact O-C 3.6Å; R130-G136 VanDerWaalsContact O-CA 3.29Å; R130-G136 WeakPolarHBondContact O-CA 3.47Å; R130-G136 PolarHBondContact O-N 2.88Å; R130-G136 VanDerWaalsContact O-N 3.16Å; R130-V137 HydrophobicContact CB-CG1 4.12Å; R130-V137 HydrophobicContact CG-CG1 4.22Å; R130-D165 WeakPolarHBondContact CB-OD2 3.49Å; R130-D165 WeakPolarHBondContact CG-OD2 3.3Å; R130-D165 IonicContact CZ-OD1 3.75Å; R130-D165 IonicContact CZ-OD2 3.67Å; R130-D165 PolarHBondContact N-OD2 3.32Å; R130-D165 IonicContact NE-OD1 2.84Å; R130-D165 IonicContact NE-OD2 3.75Å; R130-D165 PolarHBondContact NE-OD2 2.76Å; R130-D165 IonicContact NH2-OD1 3.76Å; R130-D165 PolarHBondContact NH2-OD1 2.97Å; R130-D165 IonicContact NH2-OD2 2.74Å; R130-D165 PolarHBondContact NH2-OD2 2.9Å; R130-T167 PolarHBondContact NH2-OG1 2.73Å; R130-I212 HydrophobicContact CG-CD1 4.47Å; R130-I212 HydrophobicContact CG-CG1 4.22Å; R130-F214 HydrophobicContact CG-CB 3.82Å
131V92.6Very high93.8Very high61 Ų6144.9 Ų44.937%0.3728%0.284SS..SBendtrans-103.1-27.1-170.6-176.60000112.1S129 S164 D165S129-V131 VanDerWaalsContact C-N 3.29Å; S129-V131 PolarHBondContact OG-N 3.04Å; V131-S164 WeakPolarHBondContact CG2-O 3.49Å; V131-D165 HydrophobicContact CG2-CB 4.37Å
132L94.3Very high93.2Very high45 Ų4549.4 Ų49.424%0.23630%0.297CS..SBendtrans-56.4154.9175-77-178.3000112.3S129 C134 G135 E209 P211S129-L132 PolarHBondContact OG-N 3.28Å; S129-L132 VanDerWaalsContact OG-N 3.08Å; L132-C134 PolarHBondContact O-N 3.05Å; L132-G135 WeakPolarHBondContact O-CA 3.36Å; L132-G135 PolarHBondContact O-N 3.04Å; L132-E209 HydrophobicContact CD1-CB 3.73Å; L132-P211 HydrophobicContact CB-CB 4.09Å
133P93Very high92.6Very high107 Ų10749 Ų4970%0.69530%0.295SS*.THydrogen-bonded Turntrans-50.7137.2168.3-24.934.8000111.1G135 P211P133-G135 PolarHBondContact O-N 2.89Å; P133-G135 VanDerWaalsContact O-N 3.17Å; P133-P211 VanDerWaalsContact O-CB 3.31Å; P133-P211 WeakPolarHBondContact O-CB 3.43Å
134C92.4Very high91.9Very high120 Ų12049.7 Ų49.781%0.81130%0.297SS*.THydrogen-bonded Turntrans67.9-4-171.7-52.50000115.9L132 P211L132-C134 PolarHBondContact O-N 3.05Å; C134-P211 HydrophobicContact CB-CB 4.43Å
135G93.2Very high91.3Very high22 Ų2252.3 Ų52.323%0.22731%0.307CS..  trans-79.4169.7164.200000111.8R130 L132 P133 I212R130-G135 CarbonylContact O-C 3.6Å; L132-G135 WeakPolarHBondContact O-CA 3.36Å; L132-G135 PolarHBondContact O-N 3.04Å; P133-G135 PolarHBondContact O-N 2.89Å; P133-G135 VanDerWaalsContact O-N 3.17Å; G135-I212 CarbonylContact C-O 3.57Å; G135-I212 WeakPolarHBondContact CA-O 3.42Å
136G92.2Very high90.8Very high20 Ų2057.6 Ų57.621%0.20633%0.334CS..EExtended strand (participates in β ladder)trans169.9-171171.700000115R130 I212 V213 F214R130-G136 VanDerWaalsContact O-CA 3.29Å; R130-G136 WeakPolarHBondContact O-CA 3.47Å; R130-G136 PolarHBondContact O-N 2.88Å; R130-G136 VanDerWaalsContact O-N 3.16Å; G136-I212 PolarHBondContact N-O 3.3Å; G136-V213 WeakPolarHBondContact O-CA 3.05Å; G136-F214 PolarHBondContact O-N 3.09Å
137V90.5Very high90.2Very high33 Ų3361.4 Ų61.420%0.235%0.353CS..EExtended strand (participates in β ladder)trans-129.7133.9173.3-55.60000110.7R130 W140 K145 F214R130-V137 HydrophobicContact CB-CG1 4.12Å; R130-V137 HydrophobicContact CG-CG1 4.22Å; V137-W140 HydrophobicContact CB-CD2 4.06Å; V137-W140 HydrophobicContact CB-CE3 4.23Å; V137-W140 HydrophobicContact CB-CG 4.27Å; V137-W140 HydrophobicContact CG1-CD2 4.4Å; V137-W140 HydrophobicContact CG1-CE3 4.25Å; V137-W140 HydrophobicContact CG1-CH2 4.48Å; V137-W140 HydrophobicContact CG1-CZ3 4.28Å; V137-W140 HydrophobicContact CG2-CB 4.14Å; V137-W140 HydrophobicContact CG2-CD2 4.05Å; V137-W140 HydrophobicContact CG2-CE3 3.93Å; V137-W140 HydrophobicContact CG2-CG 4.16Å; V137-K145 HydrophobicContact CG2-CD 3.88Å; V137-K145 HydrophobicContact CG2-CG 3.77Å; V137-F214 CarbonylContact C-O 3.52Å; V137-F214 VanDerWaalsContact CA-O 3.25Å; V137-F214 WeakPolarHBondContact CA-O 3.24Å; V137-F214 HydrophobicContact CG1-CB 4.22Å
138A89.7Confident89.6Confident40 Ų4062.2 Ų62.233%0.33136%0.359SS..EExtended strand (participates in β ladder)trans-113.7143.2177.600000110.8W140 V213 F214 V215 D216A138-W140 VanDerWaalsContact C-N 3.3Å; A138-W140 PolarHBondContact O-N 3.34Å; A138-V213 HydrophobicContact CB-CG1 4.3Å; A138-F214 PolarHBondContact N-O 2.9Å; A138-V215 HydrophobicContact CB-CG1 4.43Å; A138-V215 HydrophobicContact CB-CG2 4.32Å; A138-D216 PolarHBondContact O-N 3.21Å; A138-D216 VanDerWaalsContact O-N 3.12Å
139G85.5Confident89.1Confident69 Ų6970.1 Ų70.171%0.71139%0.389SS*.SBendtrans83.3-8.3-179.300000115.8
140W83.6Confident88.8Confident24 Ų2472.1 Ų72.19%0.09141%0.41CS..  trans-84138.4-179.1-70.120.7000112.9V137 A138 R144 K145 F214V137-W140 HydrophobicContact CB-CD2 4.06Å; V137-W140 HydrophobicContact CB-CE3 4.23Å; V137-W140 HydrophobicContact CB-CG 4.27Å; V137-W140 HydrophobicContact CG1-CD2 4.4Å; V137-W140 HydrophobicContact CG1-CE3 4.25Å; V137-W140 HydrophobicContact CG1-CH2 4.48Å; V137-W140 HydrophobicContact CG1-CZ3 4.28Å; V137-W140 HydrophobicContact CG2-CB 4.14Å; V137-W140 HydrophobicContact CG2-CD2 4.05Å; V137-W140 HydrophobicContact CG2-CE3 3.93Å; V137-W140 HydrophobicContact CG2-CG 4.16Å; A138-W140 VanDerWaalsContact C-N 3.3Å; A138-W140 PolarHBondContact O-N 3.34Å; W140-R144 HydrophobicContact CB-CB 4.5Å; W140-R144 HydrophobicContact CD2-CG 3.89Å; W140-R144 HydrophobicContact CE3-CB 4.26Å; W140-R144 HydrophobicContact CE3-CG 3.6Å; W140-R144 HydrophobicContact CG-CG 4.36Å; W140-R144 HydrophobicContact CZ3-CG 4.03Å; W140-R144 VanDerWaalsContact NE1-CZ 3.34Å; W140-K145 HydrophobicContact CB-CG 3.92Å; W140-K145 HydrophobicContact CE3-CG 4.37Å; W140-K145 WeakPolarHBondContact O-CE 3.34Å; W140-F214 AromaticContact CZ2-CD1 3.81Å; W140-F214 HydrophobicContact CZ2-CD1 3.81Å; W140-F214 AromaticContact CZ2-CE1 3.7Å; W140-F214 HydrophobicContact CZ2-CE1 3.7Å; W140-F214 HydrophobicContact CZ2-CZ 4.48Å; W140-F214 AromaticContact NE1-CD1 3.93Å; W140-F214 AromaticContact NE1-CE1 3.93Å
141N84.7Confident88.5Confident106 Ų10671.2 Ų71.257%0.56741%0.408SS*.  trans-69.3156.7167.67037000111.6K143 R144 K145N141-K143 VanDerWaalsContact C-N 3.25Å; N141-K143 PolarHBondContact O-N 2.76Å; N141-K143 PolarHBondContact OD1-N 2.92Å; N141-R144 PolarHBondContact O-N 2.73Å; N141-R144 VanDerWaalsContact O-N 3.14Å; N141-R144 WeakPolarHBondContact OD1-CB 3.44Å; N141-R144 PolarHBondContact OD1-N 3.04Å; N141-K145 PolarHBondContact O-N 3.05Å; N141-K145 VanDerWaalsContact O-N 3.15Å
142M85.4Confident88.4Confident132 Ų13268.7 Ų68.765%0.6539%0.392SS*.Hα-helixtrans-58.3-37.1-175.1-169.161.876.100112.7R144 K145 I146M142-R144 PolarHBondContact O-N 2.84Å; M142-K145 WeakPolarHBondContact O-CB 3.43Å; M142-K145 PolarHBondContact O-N 3.09Å; M142-I146 HydrophobicContact CG-CD1 3.91Å; M142-I146 HydrophobicContact CG-CG1 4.49Å; M142-I146 WeakPolarHBondContact O-CG1 3.43Å; M142-I146 PolarHBondContact O-N 2.82Å
143K85.7Confident88.2Confident154 Ų15470 Ų7067%0.6740%0.402SS*.Hα-helixtrans-59.6-47177.1-178177176.9178.60111.7N141 K145 I146 I147N141-K143 VanDerWaalsContact C-N 3.25Å; N141-K143 PolarHBondContact O-N 2.76Å; N141-K143 PolarHBondContact OD1-N 2.92Å; K143-K145 VanDerWaalsContact C-N 3.34Å; K143-K145 PolarHBondContact O-N 3.11Å; K143-I146 PolarHBondContact O-N 3.14Å; K143-I147 HydrophobicContact CG-CD1 3.87Å; K143-I147 WeakPolarHBondContact O-CG1 3.32Å; K143-I147 PolarHBondContact O-N 2.85Å
144R84Confident88.2Confident56 Ų5668.1 Ų68.121%0.21139%0.386CS..Hα-helixtrans-62.9-40.5177.3-170.8179.6175.7-175.3-3111W140 N141 M142 S148 D216W140-R144 HydrophobicContact CB-CB 4.5Å; W140-R144 HydrophobicContact CD2-CG 3.89Å; W140-R144 HydrophobicContact CE3-CB 4.26Å; W140-R144 HydrophobicContact CE3-CG 3.6Å; W140-R144 HydrophobicContact CG-CG 4.36Å; W140-R144 HydrophobicContact CZ3-CG 4.03Å; W140-R144 VanDerWaalsContact NE1-CZ 3.34Å; N141-R144 PolarHBondContact O-N 2.73Å; N141-R144 VanDerWaalsContact O-N 3.14Å; N141-R144 WeakPolarHBondContact OD1-CB 3.44Å; N141-R144 PolarHBondContact OD1-N 3.04Å; M142-R144 PolarHBondContact O-N 2.84Å; R144-S148 VanDerWaalsContact O-CB 3.3Å; R144-S148 WeakPolarHBondContact O-CB 3.36Å; R144-S148 PolarHBondContact O-N 3.47Å; R144-D216 IonicContact CZ-OD1 3.25Å; R144-D216 IonicContact NH1-OD1 3.6Å; R144-D216 PolarHBondContact NH1-OD1 2.89Å; R144-D216 IonicContact NH1-OD2 2.79Å; R144-D216 IonicContact NH2-OD1 2.86Å
145K85.5Confident88.1Confident80 Ų8062.4 Ų62.435%0.34835%0.347SS..Hα-helixtrans-60.7-47.3175.9-62-171.2-171.7-1670112V137 W140 N141 M142 K143 S148 R149V137-K145 HydrophobicContact CG2-CD 3.88Å; V137-K145 HydrophobicContact CG2-CG 3.77Å; W140-K145 HydrophobicContact CB-CG 3.92Å; W140-K145 HydrophobicContact CE3-CG 4.37Å; W140-K145 WeakPolarHBondContact O-CE 3.34Å; N141-K145 PolarHBondContact O-N 3.05Å; N141-K145 VanDerWaalsContact O-N 3.15Å; M142-K145 WeakPolarHBondContact O-CB 3.43Å; M142-K145 PolarHBondContact O-N 3.09Å; K143-K145 VanDerWaalsContact C-N 3.34Å; K143-K145 PolarHBondContact O-N 3.11Å; K145-S148 PolarHBondContact O-N 3.04Å; K145-R149 WeakPolarHBondContact O-CB 3.44Å; K145-R149 PolarHBondContact O-N 3.3Å
146I87.4Confident87.9Confident112 Ų11263.2 Ų63.257%0.57435%0.346SS*.Hα-helixtrans-64.1-48.8179.6-68.1162.9000110.9M142 K143 S148 R149 G150M142-I146 HydrophobicContact CG-CD1 3.91Å; M142-I146 HydrophobicContact CG-CG1 4.49Å; M142-I146 WeakPolarHBondContact O-CG1 3.43Å; M142-I146 PolarHBondContact O-N 2.82Å; K143-I146 PolarHBondContact O-N 3.14Å; I146-S148 VanDerWaalsContact C-N 3.33Å; I146-S148 PolarHBondContact O-N 2.92Å; I146-R149 PolarHBondContact O-N 2.86Å; I146-G150 PolarHBondContact O-N 3.11Å
147I85.8Confident87.9Confident79 Ų7967.4 Ų67.441%0.40537%0.368SS..Hα-helixtrans-59.3-45.9179.5-68.6169.1000110.6K143 G150 A151 F229K143-I147 HydrophobicContact CG-CD1 3.87Å; K143-I147 WeakPolarHBondContact O-CG1 3.32Å; K143-I147 PolarHBondContact O-N 2.85Å; I147-G150 PolarHBondContact O-N 2.89Å; I147-A151 WeakPolarHBondContact O-CB 3.48Å; I147-A151 PolarHBondContact O-N 3.42Å; I147-F229 HydrophobicContact CG2-CD2 3.95Å; I147-F229 HydrophobicContact CG2-CE2 3.89Å
148S86.3Confident87.9Confident19 Ų1967.9 Ų67.913%0.13337%0.368CS..Hα-helixtrans-65-42.5179.9-171.10000112.3R144 K145 I146 A151 N152R144-S148 VanDerWaalsContact O-CB 3.3Å; R144-S148 WeakPolarHBondContact O-CB 3.36Å; R144-S148 PolarHBondContact O-N 3.47Å; K145-S148 PolarHBondContact O-N 3.04Å; I146-S148 VanDerWaalsContact C-N 3.33Å; I146-S148 PolarHBondContact O-N 2.92Å; S148-A151 PolarHBondContact O-N 2.99Å; S148-N152 WeakPolarHBondContact O-CB 3.46Å; S148-N152 PolarHBondContact O-N 2.99Å
149R87.9Confident88Confident167 Ų16766.2 Ų66.263%0.6335%0.354SS*.Hα-helixtrans-66.4-41.2178.3-170.2168.3-178150.31111.2K145 I146 N152 T153K145-R149 WeakPolarHBondContact O-CB 3.44Å; K145-R149 PolarHBondContact O-N 3.3Å; I146-R149 PolarHBondContact O-N 2.86Å; R149-N152 PolarHBondContact O-N 2.89Å; R149-T153 WeakPolarHBondContact O-CB 3.46Å; R149-T153 PolarHBondContact O-N 2.62Å; R149-T153 PolarHBondContact O-OG1 2.79Å
150G89.9Confident88.2Confident42 Ų4269.2 Ų69.243%0.43335%0.354SS..Hα-helixtrans-61.5-45.817400000112.5I146 I147 N152 T153 L154I146-G150 PolarHBondContact O-N 3.11Å; I147-G150 PolarHBondContact O-N 2.89Å; G150-N152 VanDerWaalsContact C-N 3.32Å; G150-N152 PolarHBondContact O-N 3.41Å; G150-T153 PolarHBondContact O-N 2.86Å; G150-L154 WeakPolarHBondContact O-CB 3.44Å; G150-L154 PolarHBondContact O-N 2.76Å
151A88Confident88.6Confident8 Ų868.1 Ų68.17%0.06635%0.349CS..Hα-helixtrans-60.3-42.2175.900000112.2I147 S148 A155 F229 F232I147-A151 WeakPolarHBondContact O-CB 3.48Å; I147-A151 PolarHBondContact O-N 3.42Å; S148-A151 PolarHBondContact O-N 2.99Å; A151-A155 WeakPolarHBondContact O-CB 3.47Å; A151-A155 PolarHBondContact O-N 3.23Å; A151-F229 HydrophobicContact CB-CE2 4.18Å; A151-F232 HydrophobicContact CB-CD1 4.44Å; A151-F232 HydrophobicContact CB-CE1 3.8Å; A151-F232 HydrophobicContact CB-CZ 4.23Å
152N91.1Very high89Confident8 Ų868.9 Ų68.94%0.04335%0.353CS..Hα-helixtrans-65.2-51.6178.4-173.475.4000112.3S148 R149 G150 L154 A155 D156 S164 D165 V166 T167S148-N152 WeakPolarHBondContact O-CB 3.46Å; S148-N152 PolarHBondContact O-N 2.99Å; R149-N152 PolarHBondContact O-N 2.89Å; G150-N152 VanDerWaalsContact C-N 3.32Å; G150-N152 PolarHBondContact O-N 3.41Å; N152-L154 VanDerWaalsContact C-N 3.31Å; N152-L154 PolarHBondContact O-N 2.88Å; N152-A155 PolarHBondContact O-N 3.34Å; N152-D156 WeakPolarHBondContact O-CB 3.41Å; N152-D156 PolarHBondContact O-N 3.25Å; N152-S164 PolarHBondContact ND2-O 3.36Å; N152-D165 WeakPolarHBondContact OD1-CA 3.32Å; N152-D165 PolarHBondContact OD1-OD1 3.04Å; N152-V166 PolarHBondContact OD1-N 2.71Å; N152-T167 HydrophobicContact CB-CG2 4.06Å; N152-T167 PolarHBondContact OD1-N 3.3Å; N152-T167 VanDerWaalsContact OD1-N 3.13Å; N152-T167 PolarHBondContact OD1-OG1 3Å
153T91.1Very high89.4Confident73 Ų7362.8 Ų62.845%0.44832%0.324SS..Hα-helixtrans-62-39.7178.2-61.80000111.6R149 G150 D156 V157R149-T153 WeakPolarHBondContact O-CB 3.46Å; R149-T153 PolarHBondContact O-N 2.62Å; R149-T153 PolarHBondContact O-OG1 2.79Å; G150-T153 PolarHBondContact O-N 2.86Å; T153-D156 PolarHBondContact O-N 2.9Å; T153-V157 HydrophobicContact CG2-CG2 4.36Å; T153-V157 WeakPolarHBondContact O-CB 2.92Å; T153-V157 VanDerWaalsContact O-CG2 3.32Å; T153-V157 WeakPolarHBondContact O-CG2 3.36Å; T153-V157 PolarHBondContact O-N 3.29Å
154L91.6Very high89.8Confident67 Ų6756.8 Ų56.835%0.35130%0.301SS..Hα-helixtrans-62.9-45.4176.2-176.765.7000111.4G150 N152 M158 L233 L236G150-L154 WeakPolarHBondContact O-CB 3.44Å; G150-L154 PolarHBondContact O-N 2.76Å; N152-L154 VanDerWaalsContact C-N 3.31Å; N152-L154 PolarHBondContact O-N 2.88Å; L154-M158 HydrophobicContact CD1-CG 3.96Å; L154-M158 HydrophobicContact CD1-SD 3.6Å; L154-M158 HydrophobicContact CD2-SD 4.36Å; L154-M158 HydrophobicContact CG-CG 4.34Å; L154-M158 HydrophobicContact CG-SD 3.76Å; L154-M158 VanDerWaalsContact O-CB 3.24Å; L154-M158 WeakPolarHBondContact O-CB 3.36Å; L154-M158 VanDerWaalsContact O-CG 3.22Å; L154-M158 WeakPolarHBondContact O-CG 3.32Å; L154-M158 PolarHBondContact O-N 2.65Å; L154-L233 HydrophobicContact CD2-CD2 3.45Å; L154-L233 VanDerWaalsContact CD2-CD2 3.45Å; L154-L236 HydrophobicContact CD2-CD2 3.98Å; L154-L236 HydrophobicContact CG-CD2 3.81Å
155A90.4Very high90.3Very high0 Ų054.1 Ų54.10%029%0.291CS..Hα-helixtrans-64.7-42.8178.700000112.6A151 N152 L159 V166 V194 F232 L236A151-A155 WeakPolarHBondContact O-CB 3.47Å; A151-A155 PolarHBondContact O-N 3.23Å; N152-A155 PolarHBondContact O-N 3.34Å; A155-L159 WeakPolarHBondContact O-CB 3.19Å; A155-L159 PolarHBondContact O-N 3.47Å; A155-V166 HydrophobicContact CB-CG1 4.28Å; A155-V194 HydrophobicContact CB-CG1 3.93Å; A155-V194 HydrophobicContact CB-CG2 4.33Å; A155-F232 HydrophobicContact CB-CZ 4.14Å; A155-L236 HydrophobicContact CB-CD1 4.15Å; A155-L236 HydrophobicContact CB-CD2 4.29Å
156D90.7Very high90.6Very high39 Ų3950.3 Ų50.321%0.20928%0.275CS..Hα-helixtrans-60.1-51.6177.9-175.647.8000111.9N152 T153 D160 C161 N162 V163 V166N152-D156 WeakPolarHBondContact O-CB 3.41Å; N152-D156 PolarHBondContact O-N 3.25Å; T153-D156 PolarHBondContact O-N 2.9Å; D156-D160 WeakPolarHBondContact O-CA 3.28Å; D156-D160 PolarHBondContact O-N 3.21Å; D156-C161 PolarHBondContact O-N 3.31Å; D156-C161 WeakPolarHBondContact OD1-CB 3.49Å; D156-N162 WeakPolarHBondContact OD1-CA 3.38Å; D156-N162 PolarHBondContact OD1-N 3Å; D156-V163 PolarHBondContact OD1-N 3.34Å; D156-V166 HydrophobicContact CB-CG2 3.65Å
157V91.5Very high90.8Very high108 Ų10845 Ų4566%0.65525%0.247SC*.Hα-helixtrans-68.1-41.3-178.9173.70000111.9T153T153-V157 HydrophobicContact CG2-CG2 4.36Å; T153-V157 WeakPolarHBondContact O-CB 2.92Å; T153-V157 VanDerWaalsContact O-CG2 3.32Å; T153-V157 WeakPolarHBondContact O-CG2 3.36Å; T153-V157 PolarHBondContact O-N 3.29Å
158M91Very high91.1Very high43 Ų4341.4 Ų41.421%0.21223%0.229CC..Hα-helixtrans-68.5-38.2-178.5-75-174.967.300112.2L154 L236 F240L154-M158 HydrophobicContact CD1-CG 3.96Å; L154-M158 HydrophobicContact CD1-SD 3.6Å; L154-M158 HydrophobicContact CD2-SD 4.36Å; L154-M158 HydrophobicContact CG-CG 4.34Å; L154-M158 HydrophobicContact CG-SD 3.76Å; L154-M158 VanDerWaalsContact O-CB 3.24Å; L154-M158 WeakPolarHBondContact O-CB 3.36Å; L154-M158 VanDerWaalsContact O-CG 3.22Å; L154-M158 WeakPolarHBondContact O-CG 3.32Å; L154-M158 PolarHBondContact O-N 2.65Å; M158-L236 HydrophobicContact CB-CD1 4.41Å; M158-L236 HydrophobicContact CE-CG 4.18Å; M158-L236 HydrophobicContact SD-CD2 3.61Å; M158-L236 HydrophobicContact SD-CG 3.88Å; M158-F240 HydrophobicContact CB-CD2 4.37Å; M158-F240 HydrophobicContact CE-CB 3.86Å; M158-F240 HydrophobicContact CE-CD1 4.1Å; M158-F240 HydrophobicContact CE-CG 3.9Å; M158-F240 WeakPolarHBondContact O-CD2 3.25Å; M158-F240 WeakPolarHBondContact O-CE2 3.34Å
159L90.7Very high91.4Very high5 Ų541.2 Ų41.23%0.02623%0.228CC..Hα-helixtrans-102.94-172.6-57.3-180000114A155 C161 V194 A198 L236 L239 F240 Y244A155-L159 WeakPolarHBondContact O-CB 3.19Å; A155-L159 PolarHBondContact O-N 3.47Å; L159-C161 VanDerWaalsContact C-N 3.3Å; L159-C161 PolarHBondContact O-N 3.47Å; L159-V194 HydrophobicContact CD1-CG1 3.46Å; L159-V194 VanDerWaalsContact CD1-CG1 3.46Å; L159-A198 HydrophobicContact CB-CB 3.94Å; L159-A198 HydrophobicContact CD1-CB 3.73Å; L159-A198 HydrophobicContact CG-CB 4.42Å; L159-L236 HydrophobicContact CD1-CD1 3.48Å; L159-L236 VanDerWaalsContact CD1-CD1 3.48Å; L159-L236 HydrophobicContact CD2-CD1 4.01Å; L159-L236 HydrophobicContact CG-CD1 3.6Å; L159-L239 HydrophobicContact CD1-CB 4.47Å; L159-L239 HydrophobicContact CD1-CD1 4.23Å; L159-L239 HydrophobicContact CD2-CB 3.95Å; L159-F240 HydrophobicContact CD2-CB 4.2Å; L159-Y244 HydrophobicContact CB-CE1 4.36Å; L159-Y244 HydrophobicContact CD2-CD1 4.45Å; L159-Y244 HydrophobicContact CD2-CE1 4.07Å; L159-Y244 PolarHBondContact O-OH 3.23Å; L159-Y244 VanDerWaalsContact O-OH 3.08Å
160D91Very high91.8Very high132 Ų13233.3 Ų33.371%0.70620%0.198SC*.THydrogen-bonded Turntrans53.345.4-177.4-163.229.7000112.7D156D156-D160 WeakPolarHBondContact O-CA 3.28Å; D156-D160 PolarHBondContact O-N 3.21Å
161C91.3Very high92.2Very high0 Ų031.3 Ų31.30%018%0.178CC..  trans-73.9-28.2-175.8-68.60000112.6D156 L159 V163 V166 I197 R201D156-C161 PolarHBondContact O-N 3.31Å; D156-C161 WeakPolarHBondContact OD1-CB 3.49Å; L159-C161 VanDerWaalsContact C-N 3.3Å; L159-C161 PolarHBondContact O-N 3.47Å; C161-V163 VanDerWaalsContact C-N 3.26Å; C161-V163 HydrophobicContact CB-CG2 4.19Å; C161-V163 PolarHBondContact O-N 3.17Å; C161-V166 HydrophobicContact CB-CG1 4.3Å; C161-V166 HydrophobicContact CB-CG2 3.62Å; C161-I197 HydrophobicContact CB-CG2 3.85Å; C161-R201 WeakPolarHBondContact O-CD 3.47Å; C161-R201 VanDerWaalsContact O-CG 3.23Å; C161-R201 WeakPolarHBondContact O-CG 3.42Å; C161-R201 PolarHBondContact O-NE 3.3Å
162N92.2Very high92.7Very high122 Ų12231 Ų3165%0.65218%0.175SC*.  trans45.549-179-165.521.9000112.6D156 R201D156-N162 WeakPolarHBondContact OD1-CA 3.38Å; D156-N162 PolarHBondContact OD1-N 3Å; N162-R201 PolarHBondContact O-NH2 2.87Å
163V93.8Very high93.1Very high5 Ų530.6 Ų30.63%0.0317%0.173CC..SBendtrans-138.1152.3172.7-63.40000109.8I127 D156 C161 D165 V166 I197 R201 I207I127-V163 HydrophobicContact CD1-CB 3.89Å; I127-V163 HydrophobicContact CD1-CG1 4.38Å; I127-V163 HydrophobicContact CD1-CG2 3.99Å; D156-V163 PolarHBondContact OD1-N 3.34Å; C161-V163 VanDerWaalsContact C-N 3.26Å; C161-V163 HydrophobicContact CB-CG2 4.19Å; C161-V163 PolarHBondContact O-N 3.17Å; V163-D165 PolarHBondContact O-N 3.25Å; V163-V166 HydrophobicContact CG2-CB 4.39Å; V163-V166 HydrophobicContact CG2-CG2 3.6Å; V163-I197 HydrophobicContact CG1-CG2 4.46Å; V163-I197 HydrophobicContact CG2-CG2 3.69Å; V163-R201 VanDerWaalsContact CG1-NH2 3.29Å; V163-I207 HydrophobicContact CG1-CB 4.26Å; V163-I207 HydrophobicContact CG1-CD1 4.2Å; V163-I207 HydrophobicContact CG1-CG2 3.95Å
164S94.4Very high93.4Very high27 Ų2729.2 Ų29.219%0.18916%0.161CC..THydrogen-bonded Turntrans-71.3-28.4-172.871.90000114.1S129 V131 N152 E209S129-S164 WeakPolarHBondContact CB-OG 3.2Å; S129-S164 PolarHBondContact OG-OG 3.4Å; V131-S164 WeakPolarHBondContact CG2-O 3.49Å; N152-S164 PolarHBondContact ND2-O 3.36Å; S164-E209 VanDerWaalsContact CB-OE1 3.28Å; S164-E209 WeakPolarHBondContact CB-OE1 3.36Å; S164-E209 PolarHBondContact N-OE1 2.86Å; S164-E209 PolarHBondContact N-OE2 3.5Å; S164-E209 PolarHBondContact OG-OE1 3.49Å
165D93.9Very high93.7Very high1 Ų129.6 Ų29.61%0.00516%0.157CC..THydrogen-bonded Turntrans-138.874.8-177.7-161.7-10.8000113.5R130 V131 N152 V163 T167 G168R130-D165 WeakPolarHBondContact CB-OD2 3.49Å; R130-D165 WeakPolarHBondContact CG-OD2 3.3Å; R130-D165 IonicContact CZ-OD1 3.75Å; R130-D165 IonicContact CZ-OD2 3.67Å; R130-D165 PolarHBondContact N-OD2 3.32Å; R130-D165 IonicContact NE-OD1 2.84Å; R130-D165 IonicContact NE-OD2 3.75Å; R130-D165 PolarHBondContact NE-OD2 2.76Å; R130-D165 IonicContact NH2-OD1 3.76Å; R130-D165 PolarHBondContact NH2-OD1 2.97Å; R130-D165 IonicContact NH2-OD2 2.74Å; R130-D165 PolarHBondContact NH2-OD2 2.9Å; V131-D165 HydrophobicContact CG2-CB 4.37Å; N152-D165 WeakPolarHBondContact OD1-CA 3.32Å; N152-D165 PolarHBondContact OD1-OD1 3.04Å; V163-D165 PolarHBondContact O-N 3.25Å; D165-T167 PolarHBondContact O-N 3.38Å; D165-T167 PolarHBondContact OD1-N 3.19Å; D165-T167 PolarHBondContact OD1-OG1 3.24Å; D165-G168 PolarHBondContact O-N 2.9Å; D165-G168 PolarHBondContact OD1-N 2.79Å
166V93.1Very high94Very high0 Ų034.6 Ų34.60%018%0.181CC..THydrogen-bonded Turntrans-57.5-28.6175.8-171.20000112.4N152 A155 D156 C161 V163 R171 V194 I197N152-V166 PolarHBondContact OD1-N 2.71Å; A155-V166 HydrophobicContact CB-CG1 4.28Å; D156-V166 HydrophobicContact CB-CG2 3.65Å; C161-V166 HydrophobicContact CB-CG1 4.3Å; C161-V166 HydrophobicContact CB-CG2 3.62Å; V163-V166 HydrophobicContact CG2-CB 4.39Å; V163-V166 HydrophobicContact CG2-CG2 3.6Å; V166-R171 PolarHBondContact O-NH2 3.44Å; V166-V194 HydrophobicContact CG1-CB 4.19Å; V166-V194 HydrophobicContact CG1-CG1 3.88Å; V166-V194 HydrophobicContact CG1-CG2 4.08Å; V166-I197 HydrophobicContact CG1-CB 4.27Å; V166-I197 HydrophobicContact CG1-CG2 4.43Å
167T91Very high94.4Very high0 Ų033 Ų330%017%0.172CC..THydrogen-bonded Turntrans-95.4-10.1-17267.20000114.2R130 N152 D165 Y190 V194 F232R130-T167 PolarHBondContact NH2-OG1 2.73Å; N152-T167 HydrophobicContact CB-CG2 4.06Å; N152-T167 PolarHBondContact OD1-N 3.3Å; N152-T167 VanDerWaalsContact OD1-N 3.13Å; N152-T167 PolarHBondContact OD1-OG1 3Å; D165-T167 PolarHBondContact O-N 3.38Å; D165-T167 PolarHBondContact OD1-N 3.19Å; D165-T167 PolarHBondContact OD1-OG1 3.24Å; T167-Y190 VanDerWaalsContact CB-OH 3.24Å; T167-Y190 WeakPolarHBondContact CB-OH 3.27Å; T167-Y190 HydrophobicContact CG2-CE1 4.16Å; T167-Y190 PolarHBondContact O-OH 3.21Å; T167-Y190 PolarHBondContact OG1-OH 2.95Å; T167-V194 HydrophobicContact CG2-CG2 3.92Å; T167-F232 HydrophobicContact CG2-CZ 4.28Å
168G92Very high94.7Very high3 Ų327.8 Ų27.83%0.03114%0.141CC..  trans-68.8138176.400000111.8D165 R171D165-G168 PolarHBondContact O-N 2.9Å; D165-G168 PolarHBondContact OD1-N 2.79Å; G168-R171 VanDerWaalsContact O-CZ 3.23Å; G168-R171 PolarHBondContact O-NE 3.13Å; G168-R171 PolarHBondContact O-NH2 3.33Å
169S92.5Very high94.9Very high15 Ų1529.6 Ų29.611%0.10515%0.149CC..  trans-98.8-12.3-176.742.50000114.9I99 H106 R171I99-S169 VanDerWaalsContact O-O 3.09Å; H106-S169 PolarHBondContact CE1-OG 3.1Å; S169-R171 PolarHBondContact O-N 2.84Å
170F96.9Very high95.1Very high1 Ų131.1 Ų31.10%0.00416%0.157CC..  trans-78.9107.6176.2-161.8177.8000111.1F98 I99 M100 H106 Y110 L111 F114 G128 I212F98-F170 HydrophobicContact CD1-CD2 4.49Å; F98-F170 AromaticContact CD1-CE2 3.89Å; F98-F170 HydrophobicContact CD1-CE2 3.89Å; F98-F170 HydrophobicContact CE1-CE2 4.27Å; I99-F170 WeakPolarHBondContact O-CA 3.42Å; M100-F170 HydrophobicContact CB-CD2 3.65Å; M100-F170 HydrophobicContact CB-CE2 3.75Å; M100-F170 HydrophobicContact CB-CG 4.34Å; M100-F170 HydrophobicContact CB-CZ 4.48Å; M100-F170 HydrophobicContact CE-CE2 4.45Å; M100-F170 HydrophobicContact CE-CZ 4.17Å; M100-F170 HydrophobicContact CG-CE2 4.46Å; M100-F170 HydrophobicContact SD-CE2 4.06Å; M100-F170 HydrophobicContact SD-CZ 4.22Å; H106-F170 HydrophobicContact CB-CB 4.37Å; H106-F170 HydrophobicContact CB-CD1 3.66Å; H106-F170 HydrophobicContact CB-CE1 3.98Å; H106-F170 HydrophobicContact CB-CG 4.02Å; H106-F170 VanDerWaalsContact CD2-CB 3.46Å; H106-F170 WeakPolarHBondContact CD2-CB 3.43Å; H106-F170 AromaticContact CD2-CD1 3.91Å; H106-F170 AromaticContact CG-CD1 3.91Å; H106-F170 AromaticContact CG-CG 3.94Å; Y110-F170 HydrophobicContact CD2-CE1 4.44Å; L111-F170 HydrophobicContact CD2-CE2 3.73Å; L111-F170 HydrophobicContact CD2-CZ 3.69Å; L111-F170 HydrophobicContact CG-CZ 4.19Å; F114-F170 HydrophobicContact CD2-CE1 4.42Å; F114-F170 HydrophobicContact CD2-CE2 4.29Å; F114-F170 HydrophobicContact CD2-CZ 4.18Å; F114-F170 WeakPolarHBondContact CE1-O 3.44Å; F114-F170 AromaticContact CE2-CD1 3.61Å; F114-F170 HydrophobicContact CE2-CD1 3.61Å; F114-F170 AromaticContact CE2-CD2 3.83Å; F114-F170 HydrophobicContact CE2-CD2 3.83Å; F114-F170 AromaticContact CE2-CE1 3.61Å; F114-F170 HydrophobicContact CE2-CE1 3.61Å; F114-F170 AromaticContact CE2-CE2 3.81Å; F114-F170 HydrophobicContact CE2-CE2 3.81Å; F114-F170 AromaticContact CE2-CG 3.74Å; F114-F170 HydrophobicContact CE2-CG 3.74Å; F114-F170 AromaticContact CE2-CZ 3.71Å; F114-F170 HydrophobicContact CE2-CZ 3.71Å; F114-F170 HydrophobicContact CZ-CB 4.06Å; F114-F170 AromaticContact CZ-CD1 3.9Å; F114-F170 HydrophobicContact CZ-CD1 3.9Å; F114-F170 AromaticContact CZ-CD2 3.8Å; F114-F170 HydrophobicContact CZ-CD2 3.8Å; F114-F170 HydrophobicContact CZ-CE1 4.34Å; F114-F170 HydrophobicContact CZ-CE2 4.24Å; F114-F170 AromaticContact CZ-CG 3.62Å; F114-F170 HydrophobicContact CZ-CG 3.62Å; F114-F170 HydrophobicContact CZ-CZ 4.5Å; F114-F170 WeakPolarHBondContact CZ-O 3.35Å; G128-F170 PolarHBondContact N-O 3.27Å; F170-I212 HydrophobicContact CB-CD1 4.13Å; F170-I212 HydrophobicContact CD1-CD1 4.2Å
171R97.9Very high95.3Very high0 Ų024.9 Ų24.90%012%0.123CC..EExtended strand (participates in β ladder)trans-144.7148.6-171.9-58.8178.7-175.7176.90.4111.7F98 I99 V126 I127 V166 G168 S169 Y173 Q193 I197F98-R171 WeakPolarHBondContact CA-O 3.45Å; I99-R171 PolarHBondContact N-O 3.25Å; I99-R171 PolarHBondContact O-N 2.8Å; V126-R171 CarbonylContact O-C 3.53Å; V126-R171 WeakPolarHBondContact O-CA 3.46Å; I127-R171 HydrophobicContact CB-CG 4.28Å; I127-R171 HydrophobicContact CG2-CG 3.9Å; V166-R171 PolarHBondContact O-NH2 3.44Å; G168-R171 VanDerWaalsContact O-CZ 3.23Å; G168-R171 PolarHBondContact O-NE 3.13Å; G168-R171 PolarHBondContact O-NH2 3.33Å; S169-R171 PolarHBondContact O-N 2.84Å; R171-Y173 HydrophobicContact CB-CD2 4.11Å; R171-Y173 HydrophobicContact CB-CE2 3.44Å; R171-Y173 VanDerWaalsContact CB-CE2 3.44Å; R171-Y173 WeakPolarHBondContact CD-OH 3.13Å; R171-Y173 HydrophobicContact CG-CE2 4.36Å; R171-Y173 PolarHBondContact NH1-OH 3.31Å; R171-Q193 VanDerWaalsContact CZ-O 3.25Å; R171-Q193 PolarHBondContact NH1-O 3.02Å; R171-Q193 PolarHBondContact NH2-O 2.9Å; R171-I197 VanDerWaalsContact CZ-CG1 3.45Å; R171-I197 VanDerWaalsContact NH1-CG1 3.33Å
172L98.7Very high95.4Very high1 Ų126.1 Ų26.11%0.00513%0.13CC..EExtended strand (participates in β ladder)trans-109.1131167.6179.458.3000108.2Y10 F96 F98 F114 I115 Q118 I125 V126Y10-L172 HydrophobicContact CD1-CD1 4.26Å; F96-L172 HydrophobicContact CB-CD1 3.77Å; F96-L172 HydrophobicContact CD1-CD1 4.44Å; F96-L172 HydrophobicContact CG-CD1 4.48Å; F98-L172 HydrophobicContact CD1-CB 3.99Å; F98-L172 HydrophobicContact CD1-CD1 4.01Å; F98-L172 HydrophobicContact CD2-CD1 3.74Å; F98-L172 HydrophobicContact CE1-CB 3.66Å; F98-L172 HydrophobicContact CE1-CD1 3.89Å; F98-L172 HydrophobicContact CE1-CD2 4.26Å; F98-L172 HydrophobicContact CE1-CG 4.15Å; F98-L172 HydrophobicContact CE2-CD1 3.59Å; F98-L172 HydrophobicContact CE2-CD2 4.42Å; F98-L172 HydrophobicContact CE2-CG 4.49Å; F98-L172 HydrophobicContact CG-CD1 3.96Å; F98-L172 HydrophobicContact CZ-CB 4.13Å; F98-L172 HydrophobicContact CZ-CD1 3.68Å; F98-L172 HydrophobicContact CZ-CD2 3.88Å; F98-L172 HydrophobicContact CZ-CG 4.12Å; F114-L172 HydrophobicContact CB-CB 4.3Å; F114-L172 HydrophobicContact CB-CD2 4.13Å; F114-L172 HydrophobicContact CD1-CB 3.97Å; I115-L172 HydrophobicContact CG1-CD2 4.33Å; Q118-L172 HydrophobicContact CB-CD2 3.77Å; Q118-L172 HydrophobicContact CG-CD2 4Å; I125-L172 CarbonylContact C-O 3.45Å; I125-L172 VanDerWaalsContact CA-O 3.27Å; I125-L172 WeakPolarHBondContact CA-O 3.33Å; V126-L172 HydrophobicContact CB-CB 4.27Å; V126-L172 PolarHBondContact N-O 3.09Å; V126-L172 PolarHBondContact O-N 3.3Å
173Y98.6Very high95.3Very high0 Ų028.3 Ų28.30%013%0.129CC..EExtended strand (participates in β ladder)trans-122149.9174.3-61.7-98.8000109.6F96 V97 I99 I125 R171 L178 L181F96-Y173 CarbonylContact C-O 3.58Å; F96-Y173 VanDerWaalsContact CA-O 3.26Å; F96-Y173 WeakPolarHBondContact CA-O 3.42Å; V97-Y173 PolarHBondContact N-O 3.31Å; V97-Y173 PolarHBondContact O-N 2.97Å; I99-Y173 HydrophobicContact CB-CE2 4.49Å; I99-Y173 HydrophobicContact CD1-CD2 4.4Å; I99-Y173 HydrophobicContact CD1-CE2 3.93Å; I99-Y173 HydrophobicContact CG1-CE2 4.38Å; I125-Y173 HydrophobicContact CB-CD1 4.33Å; I125-Y173 HydrophobicContact CD1-CD1 3.87Å; I125-Y173 HydrophobicContact CD1-CE1 3.76Å; I125-Y173 HydrophobicContact CG1-CD1 3.68Å; I125-Y173 HydrophobicContact CG1-CE1 4.03Å; I125-Y173 HydrophobicContact CG2-CD1 3.89Å; I125-Y173 HydrophobicContact CG2-CE1 3.78Å; I125-Y173 HydrophobicContact CG2-CG 4.47Å; R171-Y173 HydrophobicContact CB-CD2 4.11Å; R171-Y173 HydrophobicContact CB-CE2 3.44Å; R171-Y173 VanDerWaalsContact CB-CE2 3.44Å; R171-Y173 WeakPolarHBondContact CD-OH 3.13Å; R171-Y173 HydrophobicContact CG-CE2 4.36Å; R171-Y173 PolarHBondContact NH1-OH 3.31Å; Y173-L178 HydrophobicContact CD1-CB 4.27Å; Y173-L178 HydrophobicContact CD1-CD1 4.2Å; Y173-L178 HydrophobicContact CD2-CD1 4.12Å; Y173-L178 HydrophobicContact CD2-CD2 4.37Å; Y173-L178 HydrophobicContact CE1-CD1 4.26Å; Y173-L178 HydrophobicContact CE2-CD1 4.15Å; Y173-L178 HydrophobicContact CG-CB 4Å; Y173-L178 HydrophobicContact CG-CD1 4.14Å; Y173-L178 HydrophobicContact CG-CG 4.46Å; Y173-L181 HydrophobicContact CD1-CD1 4.44Å; Y173-L181 HydrophobicContact CE1-CD1 4.22Å
174K98.3Very high94.9Very high44 Ų4432.1 Ų32.119%0.19115%0.146CC..EExtended strand (participates in β ladder)trans-61.4137.8150.4-70.5-179.6-171.11640109F96 F123 D124 E176 V177 L178F96-K174 HydrophobicContact CD1-CG 4.06Å; F96-K174 HydrophobicContact CE1-CG 3.55Å; F96-K174 HydrophobicContact CZ-CG 4.38Å; F123-K174 WeakPolarHBondContact O-CE 3.46Å; D124-K174 PolarHBondContact O-N 2.73Å; D124-K174 WeakPolarHBondContact OD1-CD 3.2Å; D124-K174 WeakPolarHBondContact OD1-CE 3.06Å; D124-K174 IonicContact OD1-NZ 2.74Å; D124-K174 PolarHBondContact OD1-NZ 2.94Å; K174-E176 VanDerWaalsContact C-N 3.33Å; K174-E176 WeakPolarHBondContact CB-OE1 3.47Å; K174-E176 WeakPolarHBondContact CD-OE1 3.23Å; K174-E176 PolarHBondContact O-N 2.77Å; K174-V177 HydrophobicContact CB-CB 4.16Å; K174-V177 HydrophobicContact CB-CG2 3.84Å; K174-V177 HydrophobicContact CD-CG2 4.41Å; K174-V177 PolarHBondContact O-N 3.1Å; K174-L178 PolarHBondContact O-N 3.32Å
175R98Very high94.5Very high76 Ų7632.3 Ų32.329%0.28715%0.147SC..Hα-helixtrans-58.9-45.2-172.6-177.6178.555.7-167.2-11.5112L89 A92 T93 G94 N95 V97 V177 L178 Q179L89-R175 HydrophobicContact CD1-CG 3.82Å; A92-R175 PolarHBondContact O-NH1 3.35Å; T93-R175 VanDerWaalsContact C-NH1 3.3Å; T93-R175 PolarHBondContact O-NH1 3.18Å; G94-R175 WeakPolarHBondContact O-CD 3.05Å; G94-R175 VanDerWaalsContact O-CZ 3.26Å; G94-R175 PolarHBondContact O-NE 3.42Å; G94-R175 PolarHBondContact O-NH1 3.38Å; N95-R175 WeakPolarHBondContact O-CB 3.35Å; N95-R175 PolarHBondContact O-N 2.9Å; V97-R175 HydrophobicContact CG2-CB 3.89Å; V97-R175 HydrophobicContact CG2-CG 3.89Å; R175-V177 VanDerWaalsContact C-N 3.3Å; R175-V177 PolarHBondContact O-N 3.29Å; R175-L178 PolarHBondContact O-N 3.18Å; R175-Q179 WeakPolarHBondContact O-CB 3.39Å; R175-Q179 PolarHBondContact O-N 3.04Å
176E97.2Very high93.9Very high105 Ų10536.8 Ų36.849%0.49117%0.17SC..Hα-helixtrans-63.4-35179.867.8-76.5-173.100112.6K174 Q179 D180K174-E176 VanDerWaalsContact C-N 3.33Å; K174-E176 WeakPolarHBondContact CB-OE1 3.47Å; K174-E176 WeakPolarHBondContact CD-OE1 3.23Å; K174-E176 PolarHBondContact O-N 2.77Å; E176-Q179 PolarHBondContact O-N 2.94Å; E176-D180 WeakPolarHBondContact O-CB 3.48Å; E176-D180 PolarHBondContact O-N 2.97Å
177V97.9Very high93.2Very high4 Ų437.7 Ų37.72%0.02418%0.177CC..Hα-helixtrans-69.5-47.6176.3174.10000109.9D124 I125 K174 R175 Q179 D180 L181 Y205D124-V177 HydrophobicContact CB-CG1 4.37Å; D124-V177 HydrophobicContact CB-CG2 4.05Å; I125-V177 HydrophobicContact CD1-CG1 4.23Å; I125-V177 HydrophobicContact CG1-CG1 4.09Å; K174-V177 HydrophobicContact CB-CB 4.16Å; K174-V177 HydrophobicContact CB-CG2 3.84Å; K174-V177 HydrophobicContact CD-CG2 4.41Å; K174-V177 PolarHBondContact O-N 3.1Å; R175-V177 VanDerWaalsContact C-N 3.3Å; R175-V177 PolarHBondContact O-N 3.29Å; V177-Q179 VanDerWaalsContact C-N 3.28Å; V177-Q179 PolarHBondContact O-N 3.27Å; V177-D180 PolarHBondContact O-N 3.38Å; V177-L181 HydrophobicContact CG1-CD1 3.89Å; V177-L181 HydrophobicContact CG1-CG 4.4Å; V177-L181 VanDerWaalsContact O-CG 3.22Å; V177-L181 WeakPolarHBondContact O-CG 3.4Å; V177-L181 PolarHBondContact O-N 3.08Å; V177-Y205 HydrophobicContact CG1-CD1 4.15Å; V177-Y205 HydrophobicContact CG1-CD2 3.75Å; V177-Y205 HydrophobicContact CG1-CE1 4.25Å; V177-Y205 HydrophobicContact CG1-CE2 3.85Å; V177-Y205 HydrophobicContact CG1-CG 3.92Å; V177-Y205 HydrophobicContact CG2-CD1 4Å; V177-Y205 HydrophobicContact CG2-CE1 3.75Å
178L97.3Very high92.4Very high0 Ų045.7 Ų45.70%021%0.211CC..Hα-helixtrans-58.6-43.7174.7-178.360.1000111L89 V97 I99 Y173 K174 R175 D180 L181 M182L89-L178 HydrophobicContact CD1-CD2 4.15Å; L89-L178 HydrophobicContact CD2-CD2 4.4Å; L89-L178 HydrophobicContact CD2-CG 4.18Å; V97-L178 HydrophobicContact CB-CD2 3.87Å; V97-L178 HydrophobicContact CG1-CD2 3.63Å; V97-L178 HydrophobicContact CG2-CD2 4.44Å; I99-L178 HydrophobicContact CD1-CD1 3.91Å; I99-L178 HydrophobicContact CD1-CD2 3.95Å; I99-L178 HydrophobicContact CG1-CD2 4.43Å; Y173-L178 HydrophobicContact CD1-CB 4.27Å; Y173-L178 HydrophobicContact CD1-CD1 4.2Å; Y173-L178 HydrophobicContact CD2-CD1 4.12Å; Y173-L178 HydrophobicContact CD2-CD2 4.37Å; Y173-L178 HydrophobicContact CE1-CD1 4.26Å; Y173-L178 HydrophobicContact CE2-CD1 4.15Å; Y173-L178 HydrophobicContact CG-CB 4Å; Y173-L178 HydrophobicContact CG-CD1 4.14Å; Y173-L178 HydrophobicContact CG-CG 4.46Å; K174-L178 PolarHBondContact O-N 3.32Å; R175-L178 PolarHBondContact O-N 3.18Å; L178-D180 PolarHBondContact O-N 3.22Å; L178-L181 PolarHBondContact O-N 3.03Å; L178-M182 HydrophobicContact CD1-CG 3.88Å; L178-M182 HydrophobicContact CD1-SD 3.75Å; L178-M182 HydrophobicContact CD2-SD 4.43Å; L178-M182 HydrophobicContact CG-CG 4.27Å; L178-M182 HydrophobicContact CG-SD 3.83Å; L178-M182 VanDerWaalsContact O-CB 3.3Å; L178-M182 WeakPolarHBondContact O-CB 3.36Å; L178-M182 WeakPolarHBondContact O-CG 3.49Å; L178-M182 PolarHBondContact O-N 2.82Å
179Q96Very high91.5Very high81 Ų8147 Ų4738%0.37923%0.225SC..Hα-helixtrans-61.2-44.1178.4-168.6178.613.300112.3L89 R175 E176 V177 M182 R183L89-Q179 HydrophobicContact CD2-CB 4.03Å; L89-Q179 HydrophobicContact CD2-CG 4.36Å; R175-Q179 WeakPolarHBondContact O-CB 3.39Å; R175-Q179 PolarHBondContact O-N 3.04Å; E176-Q179 PolarHBondContact O-N 2.94Å; V177-Q179 VanDerWaalsContact C-N 3.28Å; V177-Q179 PolarHBondContact O-N 3.27Å; Q179-M182 PolarHBondContact O-N 2.87Å; Q179-R183 VanDerWaalsContact CD-NH2 3.32Å; Q179-R183 VanDerWaalsContact O-CG 3.31Å; Q179-R183 WeakPolarHBondContact O-CG 3.17Å; Q179-R183 PolarHBondContact O-N 2.99Å; Q179-R183 VanDerWaalsContact O-N 3.08Å
180D96Very high90.6Very high37 Ų3750.4 Ų50.420%0.19824%0.236CC..Hα-helixtrans-63.7-46.8178.4-175.554.9000112.3E176 V177 L178 M182 R183 H184 Y203 Y205E176-D180 WeakPolarHBondContact O-CB 3.48Å; E176-D180 PolarHBondContact O-N 2.97Å; V177-D180 PolarHBondContact O-N 3.38Å; L178-D180 PolarHBondContact O-N 3.22Å; D180-M182 VanDerWaalsContact C-N 3.32Å; D180-M182 PolarHBondContact O-N 3.13Å; D180-R183 PolarHBondContact O-N 3.43Å; D180-H184 PolarHBondContact O-ND1 3.3Å; D180-H184 IonicContact OD1-CE1 3.44Å; D180-H184 IonicContact OD1-ND1 3.91Å; D180-Y203 WeakPolarHBondContact OD2-CD2 3.35Å; D180-Y203 WeakPolarHBondContact OD2-CE2 3.49Å; D180-Y205 PolarHBondContact OD2-OH 3.41Å
181L95Very high90.1Very high0 Ų050.7 Ų50.70%024%0.238CC..Hα-helixtrans-62-40.9177.9-64171.2000111.8I125 Y173 V177 L178 H184 S185 M196 R199 A200 Y203 Y205I125-L181 HydrophobicContact CD1-CD1 4.01Å; Y173-L181 HydrophobicContact CD1-CD1 4.44Å; Y173-L181 HydrophobicContact CE1-CD1 4.22Å; V177-L181 HydrophobicContact CG1-CD1 3.89Å; V177-L181 HydrophobicContact CG1-CG 4.4Å; V177-L181 VanDerWaalsContact O-CG 3.22Å; V177-L181 WeakPolarHBondContact O-CG 3.4Å; V177-L181 PolarHBondContact O-N 3.08Å; L178-L181 PolarHBondContact O-N 3.03Å; L181-H184 PolarHBondContact O-N 2.79Å; L181-S185 PolarHBondContact O-N 3.18Å; L181-M196 HydrophobicContact CB-SD 3.65Å; L181-R199 HydrophobicContact CD2-CB 3.62Å; L181-A200 HydrophobicContact CD1-CB 4.01Å; L181-A200 HydrophobicContact CD2-CB 4.09Å; L181-Y203 HydrophobicContact CD2-CD2 4.17Å; L181-Y205 HydrophobicContact CD2-CD2 4.19Å; L181-Y205 HydrophobicContact CD2-CE2 4.1Å; L181-Y205 HydrophobicContact CG-CE2 4.36Å
182M92.4Very high89.6Confident26 Ų2650.8 Ų50.813%0.12824%0.238CC..Hα-helixtrans-71-32.4-178.6-72-168.971.400113.5G82 A86 L89 L178 Q179 D180 H184 S185 F192 M196G82-M182 VanDerWaalsContact O-CE 3.23Å; G82-M182 WeakPolarHBondContact O-CE 3.28Å; A86-M182 HydrophobicContact CB-CE 3.51Å; L89-M182 HydrophobicContact CD2-SD 4.01Å; L178-M182 HydrophobicContact CD1-CG 3.88Å; L178-M182 HydrophobicContact CD1-SD 3.75Å; L178-M182 HydrophobicContact CD2-SD 4.43Å; L178-M182 HydrophobicContact CG-CG 4.27Å; L178-M182 HydrophobicContact CG-SD 3.83Å; L178-M182 VanDerWaalsContact O-CB 3.3Å; L178-M182 WeakPolarHBondContact O-CB 3.36Å; L178-M182 WeakPolarHBondContact O-CG 3.49Å; L178-M182 PolarHBondContact O-N 2.82Å; Q179-M182 PolarHBondContact O-N 2.87Å; D180-M182 VanDerWaalsContact C-N 3.32Å; D180-M182 PolarHBondContact O-N 3.13Å; M182-H184 PolarHBondContact O-N 3.18Å; M182-S185 PolarHBondContact O-N 2.87Å; M182-F192 HydrophobicContact CE-CE2 4.2Å; M182-F192 HydrophobicContact CE-CZ 3.93Å; M182-F192 HydrophobicContact CG-CE2 4.31Å; M182-F192 HydrophobicContact CG-CZ 3.99Å; M182-F192 HydrophobicContact SD-CZ 4.23Å; M182-M196 HydrophobicContact CG-SD 4.23Å
183R90.4Very high89.2Confident169 Ų16950.8 Ų50.864%0.63824%0.238SC*.Hα-helixtrans-58.8-30.4175.6-79.6172-174.6168.84.6112.8Q179 D180Q179-R183 VanDerWaalsContact CD-NH2 3.32Å; Q179-R183 VanDerWaalsContact O-CG 3.31Å; Q179-R183 WeakPolarHBondContact O-CG 3.17Å; Q179-R183 PolarHBondContact O-N 2.99Å; Q179-R183 VanDerWaalsContact O-N 3.08Å; D180-R183 PolarHBondContact O-N 3.43Å
184H85.2Confident88.9Confident85 Ų8550.8 Ų50.839%0.39424%0.239SC..Hα-helixtrans-101.1-5.9-177.7-55.994.6000112.9D180 L181 M182 I186 R199D180-H184 PolarHBondContact O-ND1 3.3Å; D180-H184 IonicContact OD1-CE1 3.44Å; D180-H184 IonicContact OD1-ND1 3.91Å; L181-H184 PolarHBondContact O-N 2.79Å; M182-H184 PolarHBondContact O-N 3.18Å; H184-I186 PolarHBondContact O-N 3.27Å; H184-R199 PolarHBondContact O-NH2 3.39Å
185S86.8Confident88.7Confident31 Ų3148.7 Ų48.722%0.21723%0.229CC..  trans-66.9130.4-177.3-173.30000112.2L181 M182 F192 E195 M196L181-S185 PolarHBondContact O-N 3.18Å; M182-S185 PolarHBondContact O-N 2.87Å; S185-F192 WeakPolarHBondContact OG-CD2 3.49Å; S185-E195 WeakPolarHBondContact CA-OE1 3.31Å; S185-E195 PolarHBondContact OG-OE2 2.85Å; S185-M196 VanDerWaalsContact CB-CE 3.46Å; S185-M196 WeakPolarHBondContact OG-CE 3.21Å
186I80.4Confident88.5Confident95 Ų9545.1 Ų45.149%0.48722%0.216SC..  trans-109.5-13.1173.858.3170.2000112.5H184 E195 Y238H184-I186 PolarHBondContact O-N 3.27Å; I186-E195 WeakPolarHBondContact CG1-OE1 3.19Å; I186-E195 PolarHBondContact N-OE1 2.96Å; I186-E195 PolarHBondContact N-OE2 3.28Å; I186-Y238 HydrophobicContact CD1-CD1 3.99Å; I186-Y238 HydrophobicContact CD1-CE1 3.32Å
187S79.3Confident88.4Confident19 Ų1940.1 Ų40.113%0.13319%0.192CC..  trans-80.5151.2-173-560000112.9E195S187-E195 WeakPolarHBondContact CA-OE2 3.4Å; S187-E195 WeakPolarHBondContact CB-OE2 3.34Å; S187-E195 PolarHBondContact N-OE2 2.74Å; S187-E195 VanDerWaalsContact OG-CD 3.28Å; S187-E195 PolarHBondContact OG-OE2 3.17Å
188K74.5Confident88.2Confident168 Ų16839.9 Ų39.973%0.7319%0.191SC*.  trans-119.3157.7171.4-61-176.3-174.1179.70110.1
189G72.2Confident88.1Confident31 Ų3140.1 Ų40.132%0.3219%0.192SC..THydrogen-bonded Turntrans66.1-146.2176.200000112.8V191 F192G189-V191 PolarHBondContact O-N 2.74Å; G189-F192 VanDerWaalsContact O-CB 3.25Å; G189-F192 WeakPolarHBondContact O-CB 3.25Å; G189-F192 PolarHBondContact O-N 3.34Å
190Y74.4Confident88.1Confident86 Ų8636.2 Ų36.234%0.33717%0.174SC..THydrogen-bonded Turntrans-61.9-29.9-173.4-169.1-107.8000113.9T167 F192 Q193 F232T167-Y190 VanDerWaalsContact CB-OH 3.24Å; T167-Y190 WeakPolarHBondContact CB-OH 3.27Å; T167-Y190 HydrophobicContact CG2-CE1 4.16Å; T167-Y190 PolarHBondContact O-OH 3.21Å; T167-Y190 PolarHBondContact OG1-OH 2.95Å; Y190-F192 PolarHBondContact O-N 3.12Å; Y190-Q193 PolarHBondContact O-N 2.6Å; Y190-F232 AromaticContact CD1-CD2 3.74Å; Y190-F232 HydrophobicContact CD1-CD2 3.74Å; Y190-F232 AromaticContact CD1-CE2 3.86Å; Y190-F232 HydrophobicContact CD1-CE2 3.86Å; Y190-F232 HydrophobicContact CE1-CD2 4.29Å; Y190-F232 HydrophobicContact CE1-CE2 4.05Å
191V85Confident88Confident6 Ų638 Ų384%0.03618%0.178CC..Hα-helixtrans-66.5-25.6-177.8-178.70000111.7G189 Q193 V194 E195 F232 L239G189-V191 PolarHBondContact O-N 2.74Å; V191-Q193 PolarHBondContact O-N 3.08Å; V191-V194 PolarHBondContact O-N 3.11Å; V191-E195 PolarHBondContact O-N 2.92Å; V191-F232 HydrophobicContact CG2-CB 4.47Å; V191-F232 HydrophobicContact CG2-CD2 3.86Å; V191-L239 HydrophobicContact CG1-CD1 3.81Å
192F88.4Confident88Confident2 Ų241.1 Ų41.11%0.00920%0.203CC..Hα-helixtrans-49.2-44.8173.3174.7-96.1000111.6Y85 M182 S185 G189 Y190 V194 E195 M196Y85-F192 HydrophobicContact CD2-CD1 4.18Å; Y85-F192 AromaticContact CD2-CE1 3.63Å; Y85-F192 HydrophobicContact CD2-CE1 3.63Å; Y85-F192 HydrophobicContact CD2-CZ 4.31Å; Y85-F192 HydrophobicContact CE2-CD1 4.39Å; Y85-F192 HydrophobicContact CE2-CE1 4.17Å; M182-F192 HydrophobicContact CE-CE2 4.2Å; M182-F192 HydrophobicContact CE-CZ 3.93Å; M182-F192 HydrophobicContact CG-CE2 4.31Å; M182-F192 HydrophobicContact CG-CZ 3.99Å; M182-F192 HydrophobicContact SD-CZ 4.23Å; S185-F192 WeakPolarHBondContact OG-CD2 3.49Å; G189-F192 VanDerWaalsContact O-CB 3.25Å; G189-F192 WeakPolarHBondContact O-CB 3.25Å; G189-F192 PolarHBondContact O-N 3.34Å; Y190-F192 PolarHBondContact O-N 3.12Å; F192-V194 VanDerWaalsContact C-N 3.32Å; F192-V194 PolarHBondContact O-N 2.64Å; F192-E195 PolarHBondContact O-N 2.51Å; F192-M196 HydrophobicContact CD1-CG 4.17Å; F192-M196 HydrophobicContact CD2-CE 4.21Å; F192-M196 HydrophobicContact CD2-CG 4.44Å; F192-M196 HydrophobicContact CE1-CG 3.74Å; F192-M196 HydrophobicContact CE1-SD 4.41Å; F192-M196 HydrophobicContact CE2-CE 3.89Å; F192-M196 HydrophobicContact CE2-CG 4.04Å; F192-M196 HydrophobicContact CE2-SD 3.8Å; F192-M196 HydrophobicContact CZ-CE 4.41Å; F192-M196 HydrophobicContact CZ-CG 3.67Å; F192-M196 HydrophobicContact CZ-SD 3.73Å; F192-M196 VanDerWaalsContact O-CG 3.28Å; F192-M196 WeakPolarHBondContact O-CG 3.47Å; F192-M196 PolarHBondContact O-N 2.85Å
193Q90.2Very high88.1Confident1 Ų144.1 Ų44.11%0.00521%0.214CC..Hα-helixtrans-64.4-38-179.3-62.7-67.68.900112.1R171 Y190 V191R171-Q193 VanDerWaalsContact CZ-O 3.25Å; R171-Q193 PolarHBondContact NH1-O 3.02Å; R171-Q193 PolarHBondContact NH2-O 2.9Å; Y190-Q193 PolarHBondContact O-N 2.6Å; V191-Q193 PolarHBondContact O-N 3.08Å
194V92.1Very high88.4Confident1 Ų139 Ų391%0.00621%0.213CC..Hα-helixtrans-69-46.4176.4172.20000110.9A155 L159 V166 T167 V191 F192 M196 I197 A198 F232 L236A155-V194 HydrophobicContact CB-CG1 3.93Å; A155-V194 HydrophobicContact CB-CG2 4.33Å; L159-V194 HydrophobicContact CD1-CG1 3.46Å; L159-V194 VanDerWaalsContact CD1-CG1 3.46Å; V166-V194 HydrophobicContact CG1-CB 4.19Å; V166-V194 HydrophobicContact CG1-CG1 3.88Å; V166-V194 HydrophobicContact CG1-CG2 4.08Å; T167-V194 HydrophobicContact CG2-CG2 3.92Å; V191-V194 PolarHBondContact O-N 3.11Å; F192-V194 VanDerWaalsContact C-N 3.32Å; F192-V194 PolarHBondContact O-N 2.64Å; V194-M196 VanDerWaalsContact C-N 3.27Å; V194-M196 PolarHBondContact O-N 2.85Å; V194-I197 PolarHBondContact O-N 3.29Å; V194-A198 WeakPolarHBondContact O-CB 3.35Å; V194-A198 PolarHBondContact O-N 3.36Å; V194-F232 HydrophobicContact CG2-CE2 3.73Å; V194-F232 HydrophobicContact CG2-CZ 4.18Å; V194-L236 HydrophobicContact CG1-CD1 4.38Å
195E93.2Very high89Confident0 Ų037.5 Ų37.50%020%0.204CC..Hα-helixtrans-56.9-41.4177.5-175.3-176.6-169.500111.5S185 I186 S187 V191 F192 I197 A198 R199 L239S185-E195 WeakPolarHBondContact CA-OE1 3.31Å; S185-E195 PolarHBondContact OG-OE2 2.85Å; I186-E195 WeakPolarHBondContact CG1-OE1 3.19Å; I186-E195 PolarHBondContact N-OE1 2.96Å; I186-E195 PolarHBondContact N-OE2 3.28Å; S187-E195 WeakPolarHBondContact CA-OE2 3.4Å; S187-E195 WeakPolarHBondContact CB-OE2 3.34Å; S187-E195 PolarHBondContact N-OE2 2.74Å; S187-E195 VanDerWaalsContact OG-CD 3.28Å; S187-E195 PolarHBondContact OG-OE2 3.17Å; V191-E195 PolarHBondContact O-N 2.92Å; F192-E195 PolarHBondContact O-N 2.51Å; E195-I197 VanDerWaalsContact C-N 3.35Å; E195-I197 PolarHBondContact O-N 2.91Å; E195-A198 PolarHBondContact O-N 3.16Å; E195-R199 HydrophobicContact CG-CG 4.12Å; E195-R199 WeakPolarHBondContact O-CB 3.39Å; E195-R199 WeakPolarHBondContact O-CG 3.41Å; E195-R199 PolarHBondContact O-N 2.97Å; E195-R199 IonicContact OE1-CZ 3.88Å; E195-R199 VanDerWaalsContact OE1-CZ 3.25Å; E195-R199 IonicContact OE1-NE 3.64Å; E195-R199 PolarHBondContact OE1-NE 3.24Å; E195-R199 IonicContact OE1-NH2 2.71Å; E195-R199 PolarHBondContact OE1-NH2 3.07Å; E195-L239 HydrophobicContact CB-CD1 3.99Å; E195-L239 HydrophobicContact CB-CD2 4.46Å; E195-L239 HydrophobicContact CG-CD1 4.4Å; E195-L239 HydrophobicContact CG-CD2 4.01Å
196M94.2Very high89.5Confident0 Ų039 Ų390%021%0.212CC..Hα-helixtrans-62.1-40.3-178.8-69.1-53.890.300112.5L181 M182 S185 F192 V194 A200L181-M196 HydrophobicContact CB-SD 3.65Å; M182-M196 HydrophobicContact CG-SD 4.23Å; S185-M196 VanDerWaalsContact CB-CE 3.46Å; S185-M196 WeakPolarHBondContact OG-CE 3.21Å; F192-M196 HydrophobicContact CD1-CG 4.17Å; F192-M196 HydrophobicContact CD2-CE 4.21Å; F192-M196 HydrophobicContact CD2-CG 4.44Å; F192-M196 HydrophobicContact CE1-CG 3.74Å; F192-M196 HydrophobicContact CE1-SD 4.41Å; F192-M196 HydrophobicContact CE2-CE 3.89Å; F192-M196 HydrophobicContact CE2-CG 4.04Å; F192-M196 HydrophobicContact CE2-SD 3.8Å; F192-M196 HydrophobicContact CZ-CE 4.41Å; F192-M196 HydrophobicContact CZ-CG 3.67Å; F192-M196 HydrophobicContact CZ-SD 3.73Å; F192-M196 VanDerWaalsContact O-CG 3.28Å; F192-M196 WeakPolarHBondContact O-CG 3.47Å; F192-M196 PolarHBondContact O-N 2.85Å; V194-M196 VanDerWaalsContact C-N 3.27Å; V194-M196 PolarHBondContact O-N 2.85Å; M196-A200 WeakPolarHBondContact O-CB 3.48Å; M196-A200 PolarHBondContact O-N 2.74Å
197I95.4Very high90.4Very high0 Ų035.2 Ų35.20%019%0.193CC..Hα-helixtrans-72.5-44.2177.4-62.4-52.6000111I127 C161 V163 V166 R171 V194 E195 R199 A200 R201 I207I127-I197 HydrophobicContact CG2-CD1 3.83Å; C161-I197 HydrophobicContact CB-CG2 3.85Å; V163-I197 HydrophobicContact CG1-CG2 4.46Å; V163-I197 HydrophobicContact CG2-CG2 3.69Å; V166-I197 HydrophobicContact CG1-CB 4.27Å; V166-I197 HydrophobicContact CG1-CG2 4.43Å; R171-I197 VanDerWaalsContact CZ-CG1 3.45Å; R171-I197 VanDerWaalsContact NH1-CG1 3.33Å; V194-I197 PolarHBondContact O-N 3.29Å; E195-I197 VanDerWaalsContact C-N 3.35Å; E195-I197 PolarHBondContact O-N 2.91Å; I197-R199 PolarHBondContact O-N 3.17Å; I197-A200 PolarHBondContact O-N 2.94Å; I197-A200 VanDerWaalsContact O-N 3.17Å; I197-R201 PolarHBondContact O-N 2.91Å; I197-I207 HydrophobicContact CD1-CD1 4.34Å; I197-I207 HydrophobicContact CG2-CD1 4.05Å
198A94.2Very high91.3Very high0 Ų034.4 Ų34.40%019%0.188CC..Hα-helixtrans-56.9-53.3178.700000110.3L159 V194 E195 A200 R201 A202 Y244L159-A198 HydrophobicContact CB-CB 3.94Å; L159-A198 HydrophobicContact CD1-CB 3.73Å; L159-A198 HydrophobicContact CG-CB 4.42Å; V194-A198 WeakPolarHBondContact O-CB 3.35Å; V194-A198 PolarHBondContact O-N 3.36Å; E195-A198 PolarHBondContact O-N 3.16Å; A198-A200 VanDerWaalsContact C-N 3.31Å; A198-A200 PolarHBondContact O-N 3.32Å; A198-R201 PolarHBondContact O-N 2.92Å; A198-A202 PolarHBondContact O-N 3.38Å; A198-Y244 HydrophobicContact CB-CD1 4.04Å; A198-Y244 HydrophobicContact CB-CD2 4.32Å; A198-Y244 HydrophobicContact CB-CE1 3.68Å; A198-Y244 HydrophobicContact CB-CE2 3.93Å; A198-Y244 HydrophobicContact CB-CG 4.33Å; A198-Y244 WeakPolarHBondContact O-CE2 3.39Å; A198-Y244 PolarHBondContact O-OH 3.31Å
199R94.6Very high92.4Very high4 Ų428.9 Ų28.92%0.01516%0.164CC..Hα-helixtrans-55.4-45.8173.8-75.2-179.2178-69.7-13.7112.1L181 H184 E195 I197 R201 A202 Y203 Y244L181-R199 HydrophobicContact CD2-CB 3.62Å; H184-R199 PolarHBondContact O-NH2 3.39Å; E195-R199 HydrophobicContact CG-CG 4.12Å; E195-R199 WeakPolarHBondContact O-CB 3.39Å; E195-R199 WeakPolarHBondContact O-CG 3.41Å; E195-R199 PolarHBondContact O-N 2.97Å; E195-R199 IonicContact OE1-CZ 3.88Å; E195-R199 VanDerWaalsContact OE1-CZ 3.25Å; E195-R199 IonicContact OE1-NE 3.64Å; E195-R199 PolarHBondContact OE1-NE 3.24Å; E195-R199 IonicContact OE1-NH2 2.71Å; E195-R199 PolarHBondContact OE1-NH2 3.07Å; I197-R199 PolarHBondContact O-N 3.17Å; R199-R201 VanDerWaalsContact C-N 3.26Å; R199-R201 PolarHBondContact O-N 3.42Å; R199-A202 PolarHBondContact O-N 3.38Å; R199-Y203 PolarHBondContact NH1-OH 2.86Å; R199-Y203 WeakPolarHBondContact O-CB 3.39Å; R199-Y203 PolarHBondContact O-N 3.31Å; R199-Y244 VanDerWaalsContact CA-CD2 3.48Å; R199-Y244 HydrophobicContact CB-CD2 4.12Å; R199-Y244 HydrophobicContact CG-CD2 3.55Å; R199-Y244 HydrophobicContact CG-CE2 4.49Å; R199-Y244 HydrophobicContact CG-CG 4.04Å; R199-Y244 VanDerWaalsContact CZ-C 3.45Å; R199-Y244 PolarHBondContact NH1-OXT 3.49Å; R199-Y244 VanDerWaalsContact NH2-C 3.33Å; R199-Y244 PolarHBondContact NH2-OXT 3.37Å
200A96Very high93.6Very high0 Ų027.5 Ų27.50%015%0.15CC..Hα-helixtrans-59.2-41-178.600000112.5I125 L181 M196 I197 A198 Y203 G204 Y205 I207I125-A200 HydrophobicContact CD1-CB 3.36Å; L181-A200 HydrophobicContact CD1-CB 4.01Å; L181-A200 HydrophobicContact CD2-CB 4.09Å; M196-A200 WeakPolarHBondContact O-CB 3.48Å; M196-A200 PolarHBondContact O-N 2.74Å; I197-A200 PolarHBondContact O-N 2.94Å; I197-A200 VanDerWaalsContact O-N 3.17Å; A198-A200 VanDerWaalsContact C-N 3.31Å; A198-A200 PolarHBondContact O-N 3.32Å; A200-Y203 PolarHBondContact O-N 2.83Å; A200-G204 PolarHBondContact O-N 3.11Å; A200-Y205 HydrophobicContact CB-CD2 4.24Å; A200-Y205 WeakPolarHBondContact O-CB 3.11Å; A200-Y205 PolarHBondContact O-N 3.07Å; A200-I207 HydrophobicContact CB-CD1 4.2Å
201R94.8Very high94.8Very high75 Ų7525.5 Ų25.528%0.28315%0.148SC..Hα-helixtrans-66.5-46.7174.9-72.2-62.2-161-169.93.1112.6C161 N162 V163 I197 A198 R199 Y203 G204 I207C161-R201 WeakPolarHBondContact O-CD 3.47Å; C161-R201 VanDerWaalsContact O-CG 3.23Å; C161-R201 WeakPolarHBondContact O-CG 3.42Å; C161-R201 PolarHBondContact O-NE 3.3Å; N162-R201 PolarHBondContact O-NH2 2.87Å; V163-R201 VanDerWaalsContact CG1-NH2 3.29Å; I197-R201 PolarHBondContact O-N 2.91Å; A198-R201 PolarHBondContact O-N 2.92Å; R199-R201 VanDerWaalsContact C-N 3.26Å; R199-R201 PolarHBondContact O-N 3.42Å; R201-Y203 PolarHBondContact O-N 3.5Å; R201-G204 PolarHBondContact O-N 3.44Å; R201-I207 HydrophobicContact CG-CD1 3.98Å
202A93.6Very high95.3Very high64 Ų6425.4 Ų25.453%0.52915%0.147SC..Hα-helixtrans-62.8-30.8177.600000113.1A198 R199 G204 Y244A198-A202 PolarHBondContact O-N 3.38Å; R199-A202 PolarHBondContact O-N 3.38Å; A202-G204 PolarHBondContact O-N 3.45Å; A202-Y244 HydrophobicContact CB-CD2 4.32Å; A202-Y244 HydrophobicContact CB-CE2 3.45Å; A202-Y244 VanDerWaalsContact CB-CE2 3.45Å
203Y95.5Very high95.7Very high90 Ų9027.6 Ų27.635%0.35316%0.16SC..THydrogen-bonded Turntrans-82.5-2.7176.8-68.27.5000112.8D180 L181 R199 A200 R201 Y205D180-Y203 WeakPolarHBondContact OD2-CD2 3.35Å; D180-Y203 WeakPolarHBondContact OD2-CE2 3.49Å; L181-Y203 HydrophobicContact CD2-CD2 4.17Å; R199-Y203 PolarHBondContact NH1-OH 2.86Å; R199-Y203 WeakPolarHBondContact O-CB 3.39Å; R199-Y203 PolarHBondContact O-N 3.31Å; A200-Y203 PolarHBondContact O-N 2.83Å; R201-Y203 PolarHBondContact O-N 3.5Å; Y203-Y205 HydrophobicContact CD2-CE2 4.02Å; Y203-Y205 HydrophobicContact CG-CE2 4.49Å
204G96.3Very high95.7Very high60 Ų6028.3 Ų28.362%0.61916%0.163SC*.THydrogen-bonded Turntrans7917.3177.500000114.8A200 R201 A202A200-G204 PolarHBondContact O-N 3.11Å; R201-G204 PolarHBondContact O-N 3.44Å; A202-G204 PolarHBondContact O-N 3.45Å
205Y97.9Very high95.5Very high55 Ų5531.5 Ų31.522%0.21618%0.183CC..  trans-69.9145.2175.3-68-54.6000111.9D124 V177 D180 L181 A200 Y203D124-Y205 HydrophobicContact CB-CD1 4.14Å; D124-Y205 HydrophobicContact CB-CG 4.37Å; V177-Y205 HydrophobicContact CG1-CD1 4.15Å; V177-Y205 HydrophobicContact CG1-CD2 3.75Å; V177-Y205 HydrophobicContact CG1-CE1 4.25Å; V177-Y205 HydrophobicContact CG1-CE2 3.85Å; V177-Y205 HydrophobicContact CG1-CG 3.92Å; V177-Y205 HydrophobicContact CG2-CD1 4Å; V177-Y205 HydrophobicContact CG2-CE1 3.75Å; D180-Y205 PolarHBondContact OD2-OH 3.41Å; L181-Y205 HydrophobicContact CD2-CD2 4.19Å; L181-Y205 HydrophobicContact CD2-CE2 4.1Å; L181-Y205 HydrophobicContact CG-CE2 4.36Å; A200-Y205 HydrophobicContact CB-CD2 4.24Å; A200-Y205 WeakPolarHBondContact O-CB 3.11Å; A200-Y205 PolarHBondContact O-N 3.07Å; Y203-Y205 HydrophobicContact CD2-CE2 4.02Å; Y203-Y205 HydrophobicContact CG-CE2 4.49Å
206T98.1Very high94.9Very high62 Ų6234.4 Ų34.438%0.3820%0.198SC..  trans-84.6132.3-179.5590000111.2F123 D124 I125F123-T206 WeakPolarHBondContact CA-OG1 2.99Å; D124-T206 WeakPolarHBondContact CB-O 3.41Å; D124-T206 PolarHBondContact N-O 3.47Å; D124-T206 VanDerWaalsContact N-O 3.09Å; D124-T206 PolarHBondContact N-OG1 3.02Å; D124-T206 PolarHBondContact OD2-N 3.05Å; D124-T206 PolarHBondContact OD2-OG1 2.92Å; I125-T206 PolarHBondContact N-O 3.17Å
207I98.2Very high94Very high15 Ų1537.9 Ų37.98%0.07721%0.211CC..EExtended strand (participates in β ladder)trans-123.4119.6-176.3-48.7-175.9000109.7I125 I127 V163 I197 A200 R201I125-I207 HydrophobicContact CB-CG1 4.33Å; I125-I207 HydrophobicContact CB-CG2 4.38Å; I125-I207 HydrophobicContact CD1-CG1 4.43Å; I125-I207 CarbonylContact O-C 3.53Å; I125-I207 WeakPolarHBondContact O-CA 3.27Å; I127-I207 HydrophobicContact CG1-CG2 4.44Å; I127-I207 HydrophobicContact CG2-CG2 4.08Å; V163-I207 HydrophobicContact CG1-CB 4.26Å; V163-I207 HydrophobicContact CG1-CD1 4.2Å; V163-I207 HydrophobicContact CG1-CG2 3.95Å; I197-I207 HydrophobicContact CD1-CD1 4.34Å; I197-I207 HydrophobicContact CG2-CD1 4.05Å; A200-I207 HydrophobicContact CB-CD1 4.2Å; R201-I207 HydrophobicContact CG-CD1 3.98Å
208G98.1Very high92.7Very high3 Ų343 Ų433%0.03124%0.238CC..EExtended strand (participates in β ladder)trans-96.5161.4168.300000111.6I125 V126 I127I125-G208 PolarHBondContact O-N 2.6Å; V126-G208 WeakPolarHBondContact CA-O 3.33Å; I127-G208 PolarHBondContact N-O 2.96Å
209E98.4Very high91Very high51 Ų5147.2 Ų47.224%0.23826%0.257CS..EExtended strand (participates in β ladder)trans-136.7135.8-177-52.6-166.470.100110.8I127 L132 S164I127-E209 HydrophobicContact CD1-CG 4.06Å; I127-E209 WeakPolarHBondContact CD1-OE1 3.39Å; I127-E209 HydrophobicContact CG1-CB 4.21Å; I127-E209 HydrophobicContact CG1-CG 3.77Å; I127-E209 WeakPolarHBondContact O-CA 3.21Å; L132-E209 HydrophobicContact CD1-CB 3.73Å; S164-E209 VanDerWaalsContact CB-OE1 3.28Å; S164-E209 WeakPolarHBondContact CB-OE1 3.36Å; S164-E209 PolarHBondContact N-OE1 2.86Å; S164-E209 PolarHBondContact N-OE2 3.5Å; S164-E209 PolarHBondContact OG-OE1 3.49Å
210I98.3Very high89.2Confident3 Ų350 Ų502%0.01529%0.286CS..EExtended strand (participates in β ladder)trans-121.3147.9171.167.6160.8000110.5L113 F114 E117 V126 I127 S129 I212L113-I210 HydrophobicContact CB-CD1 3.95Å; L113-I210 HydrophobicContact CD2-CB 4.22Å; L113-I210 HydrophobicContact CD2-CD1 3.92Å; L113-I210 HydrophobicContact CG-CB 4.19Å; L113-I210 HydrophobicContact CG-CD1 3.76Å; L113-I210 HydrophobicContact CG-CG2 4.11Å; F114-I210 HydrophobicContact CB-CD1 4.36Å; F114-I210 HydrophobicContact CD1-CD1 4.12Å; F114-I210 HydrophobicContact CD1-CG1 4.3Å; F114-I210 HydrophobicContact CD2-CD1 3.31Å; F114-I210 HydrophobicContact CD2-CG1 4.25Å; F114-I210 HydrophobicContact CE1-CD1 4.27Å; F114-I210 HydrophobicContact CE1-CG1 4.21Å; F114-I210 HydrophobicContact CE2-CD1 3.48Å; F114-I210 VanDerWaalsContact CE2-CD1 3.48Å; F114-I210 HydrophobicContact CE2-CG1 4.14Å; F114-I210 HydrophobicContact CG-CD1 3.63Å; F114-I210 HydrophobicContact CG-CG1 4.31Å; F114-I210 HydrophobicContact CZ-CD1 3.97Å; F114-I210 HydrophobicContact CZ-CG1 4.12Å; E117-I210 HydrophobicContact CB-CG2 3.54Å; E117-I210 HydrophobicContact CG-CG2 3.66Å; V126-I210 HydrophobicContact CG1-CG2 4.01Å; I127-I210 PolarHBondContact O-N 3.24Å; S129-I210 PolarHBondContact N-O 3.42Å; I210-I212 HydrophobicContact CD1-CG2 4.11Å; I210-I212 HydrophobicContact CG1-CG2 4.16Å
211P97.6Very high87.2Confident44 Ų4458.7 Ų58.729%0.28632%0.324SS..EExtended strand (participates in β ladder)trans-74.3132173.829.3-32.9000111.2S129 L132 P133 C134S129-P211 WeakPolarHBondContact O-CA 3.33Å; L132-P211 HydrophobicContact CB-CB 4.09Å; P133-P211 VanDerWaalsContact O-CB 3.31Å; P133-P211 WeakPolarHBondContact O-CB 3.43Å; C134-P211 HydrophobicContact CB-CB 4.43Å
212I97.3Very high85.5Confident3 Ų357.8 Ų57.82%0.01533%0.329CS..  trans-128.4154.5171.767.4166.4000111.4Y110 F114 S129 R130 G135 G136 F170 I210Y110-I212 HydrophobicContact CD1-CB 4.5Å; Y110-I212 HydrophobicContact CD1-CG2 3.94Å; Y110-I212 HydrophobicContact CD2-CB 4.19Å; Y110-I212 HydrophobicContact CD2-CG2 4.04Å; Y110-I212 HydrophobicContact CE1-CB 4.4Å; Y110-I212 HydrophobicContact CE1-CG2 4.3Å; Y110-I212 HydrophobicContact CE2-CB 4.11Å; Y110-I212 HydrophobicContact CE2-CG2 4.4Å; Y110-I212 HydrophobicContact CG-CB 4.4Å; Y110-I212 HydrophobicContact CG-CG2 3.8Å; F114-I212 HydrophobicContact CE2-CG2 4.27Å; F114-I212 HydrophobicContact CZ-CG2 4.49Å; S129-I212 PolarHBondContact O-N 2.98Å; R130-I212 HydrophobicContact CG-CD1 4.47Å; R130-I212 HydrophobicContact CG-CG1 4.22Å; G135-I212 CarbonylContact C-O 3.57Å; G135-I212 WeakPolarHBondContact CA-O 3.42Å; G136-I212 PolarHBondContact N-O 3.3Å; F170-I212 HydrophobicContact CB-CD1 4.13Å; F170-I212 HydrophobicContact CD1-CD1 4.2Å; I210-I212 HydrophobicContact CD1-CG2 4.11Å; I210-I212 HydrophobicContact CG1-CG2 4.16Å
213V95.5Very high83.6Confident49 Ų4962.4 Ų62.430%0.29734%0.337SS..EExtended strand (participates in β ladder)trans-104.4114.4167.5-179.40000108.6Y110 G136 A138 V215Y110-V213 PolarHBondContact OH-N 3.26Å; Y110-V213 VanDerWaalsContact OH-N 3.11Å; G136-V213 WeakPolarHBondContact O-CA 3.05Å; A138-V213 HydrophobicContact CB-CG1 4.3Å; V213-V215 HydrophobicContact CG1-CG2 4.37Å
214F91.1Very high81.8Confident16 Ų1663.2 Ų63.27%0.0735%0.347CS..EExtended strand (participates in β ladder)trans-85.6119.2174-173.1-75.9000109.3H106 R130 G136 V137 A138 W140H106-F214 AromaticContact CD2-CD2 3.73Å; H106-F214 AromaticContact CD2-CE2 3.92Å; H106-F214 AromaticContact CE1-CE2 3.82Å; H106-F214 AromaticContact NE2-CD2 3.42Å; H106-F214 WeakPolarHBondContact NE2-CD2 3.22Å; H106-F214 AromaticContact NE2-CE2 3.33Å; H106-F214 VanDerWaalsContact NE2-CE2 3.33Å; H106-F214 WeakPolarHBondContact NE2-CE2 3.14Å; R130-F214 HydrophobicContact CG-CB 3.82Å; G136-F214 PolarHBondContact O-N 3.09Å; V137-F214 CarbonylContact C-O 3.52Å; V137-F214 VanDerWaalsContact CA-O 3.25Å; V137-F214 WeakPolarHBondContact CA-O 3.24Å; V137-F214 HydrophobicContact CG1-CB 4.22Å; A138-F214 PolarHBondContact N-O 2.9Å; W140-F214 AromaticContact CZ2-CD1 3.81Å; W140-F214 HydrophobicContact CZ2-CD1 3.81Å; W140-F214 AromaticContact CZ2-CE1 3.7Å; W140-F214 HydrophobicContact CZ2-CE1 3.7Å; W140-F214 HydrophobicContact CZ2-CZ 4.48Å; W140-F214 AromaticContact NE1-CD1 3.93Å; W140-F214 AromaticContact NE1-CE1 3.93Å
215V87.5Confident80.2Confident68 Ų6861.8 Ų61.841%0.41233%0.332SS..EExtended strand (participates in β ladder)trans-99.6145.5178.6-171.10000108.5S105 A138 V213S105-V215 WeakPolarHBondContact CA-O 3.41Å; S105-V215 WeakPolarHBondContact CB-O 3.44Å; S105-V215 PolarHBondContact O-N 3.13Å; S105-V215 PolarHBondContact OG-O 3.42Å; A138-V215 HydrophobicContact CB-CG1 4.43Å; A138-V215 HydrophobicContact CB-CG2 4.32Å; V213-V215 HydrophobicContact CG1-CG2 4.37Å
216D80.4Confident78.6Confident60 Ų6064.1 Ų64.132%0.32135%0.354SS..PPolyproline II helixtrans-59.4148170.7-143.718.3000110.2A138 R144A138-D216 PolarHBondContact O-N 3.21Å; A138-D216 VanDerWaalsContact O-N 3.12Å; R144-D216 IonicContact CZ-OD1 3.25Å; R144-D216 IonicContact NH1-OD1 3.6Å; R144-D216 PolarHBondContact NH1-OD1 2.89Å; R144-D216 IonicContact NH1-OD2 2.79Å; R144-D216 IonicContact NH2-OD1 2.86Å
217R74.8Confident77.3Confident73 Ų7369 Ų6928%0.27537%0.372SS..PPolyproline II helixtrans-50.1141.3-175.558.2179.350.8-149.2-15.6112.4D103 S105 F219 G220D103-R217 HydrophobicContact CB-CB 3.91Å; D103-R217 WeakPolarHBondContact OD2-CB 3.42Å; D103-R217 IonicContact OD2-CZ 2.73Å; D103-R217 IonicContact OD2-NE 2.74Å; D103-R217 PolarHBondContact OD2-NE 3.3Å; D103-R217 IonicContact OD2-NH2 3.58Å; D103-R217 PolarHBondContact OD2-NH2 2.88Å; S105-R217 PolarHBondContact OG-N 2.84Å; R217-F219 WeakPolarHBondContact CD-O 3.3Å; R217-G220 WeakPolarHBondContact CD-O 3.35Å
218L67.9Low76Confident107 Ų10772.9 Ų72.956%0.5639%0.39SS*.SBendtrans-70.5-44.6-178.5-17265.1000111.4D103 L104D103-L218 PolarHBondContact O-N 3.42Å; L104-L218 HydrophobicContact CD1-CB 4.34Å; L104-L218 HydrophobicContact CD1-CD2 3.79Å
219F59.7Low74.9Confident90 Ų9076.7 Ų76.740%0.39541%0.406SS..SBendtrans-125.8147.1175.9-59.4-74000112.1E21 N22 R217E21-F219 HydrophobicContact CB-CB 4.1Å; E21-F219 HydrophobicContact CB-CD2 3.85Å; E21-F219 HydrophobicContact CB-CE2 4.5Å; E21-F219 HydrophobicContact CB-CG 3.98Å; E21-F219 VanDerWaalsContact OE2-CB 3.3Å; E21-F219 WeakPolarHBondContact OE2-CB 3.36Å; E21-F219 WeakPolarHBondContact OE2-CG 3.5Å; N22-F219 PolarHBondContact ND2-O 3.4Å; N22-F219 VanDerWaalsContact OD1-CD2 3.27Å; N22-F219 WeakPolarHBondContact OD1-CD2 3.42Å; N22-F219 PolarHBondContact OD1-N 2.84Å; R217-F219 WeakPolarHBondContact CD-O 3.3Å
220G56.8Low73.9Confident61 Ų6178.6 Ų78.663%0.62942%0.417SS*.SBendtrans97.4176.5177.200000115.8R217R217-G220 WeakPolarHBondContact CD-O 3.35Å
221K53.9Low73.1Confident184 Ų18480 Ų8080%0.843%0.431SS*.  trans-107.4134.7-178.7-67.5-177.6179.5178.40111.8
222S59.5Low72.4Confident56 Ų5678.3 Ų78.339%0.39242%0.42SS..  trans-66.8139.8170.5178.50000111L224S222-L224 PolarHBondContact OG-N 3.41Å
223K53.4Low71.8Confident160 Ų16080.8 Ų80.870%0.69643%0.433SS*.  trans-1040.6179-63.3-168.8179.6-169.10113.9G225K223-G225 PolarHBondContact O-N 3.03Å
224L58Low71.3Confident108 Ų10885.6 Ų85.657%0.56545%0.45SS*.  trans-68.4104.3-171.8-75.8172.2000112.9S222 E228S222-L224 PolarHBondContact OG-N 3.41Å; L224-E228 WeakPolarHBondContact CA-OE2 3.49Å; L224-E228 WeakPolarHBondContact CD2-OE2 3.29Å
225G62.6Low71Confident29 Ų2986.9 Ų86.930%0.29946%0.46SS..  trans-117.1169.2-175.300000114.5K223 H227 E228K223-G225 PolarHBondContact O-N 3.03Å; G225-H227 PolarHBondContact O-N 3.37Å; G225-H227 VanDerWaalsContact O-N 3.17Å; G225-E228 PolarHBondContact N-OE2 3.43Å; G225-E228 PolarHBondContact O-N 3.09Å; G225-E228 VanDerWaalsContact O-N 3.11Å
226P63.5Low70.9Confident105 Ų10583.7 Ų83.768%0.68244%0.441SS*.Hα-helixtrans-55.8-32.3179.2-2634.3000114.6E228 F229 I230P226-E228 VanDerWaalsContact C-N 3.32Å; P226-E228 PolarHBondContact O-N 3.35Å; P226-F229 WeakPolarHBondContact O-CB 3.47Å; P226-F229 PolarHBondContact O-N 3.35Å; P226-I230 PolarHBondContact O-N 2.94Å
227H70.7Confident71.1Confident163 Ų16383.6 Ų83.676%0.75544%0.444SS*.Hα-helixtrans-63.3-36.4178.4-71.5-66.6000112.9G225 F229 I230 G231G225-H227 PolarHBondContact O-N 3.37Å; G225-H227 VanDerWaalsContact O-N 3.17Å; H227-F229 VanDerWaalsContact C-N 3.32Å; H227-I230 PolarHBondContact O-N 3.47Å; H227-G231 PolarHBondContact O-N 3.17Å; H227-G231 VanDerWaalsContact O-N 3.09Å
228E70.2Confident71.7Confident97 Ų9785.7 Ų85.745%0.45345%0.453SS..Hα-helixtrans-71.9-31178-69166132.800111.3L224 G225 P226 G231 F232L224-E228 WeakPolarHBondContact CA-OE2 3.49Å; L224-E228 WeakPolarHBondContact CD2-OE2 3.29Å; G225-E228 PolarHBondContact N-OE2 3.43Å; G225-E228 PolarHBondContact O-N 3.09Å; G225-E228 VanDerWaalsContact O-N 3.11Å; P226-E228 VanDerWaalsContact C-N 3.32Å; P226-E228 PolarHBondContact O-N 3.35Å; E228-G231 PolarHBondContact O-N 2.95Å; E228-F232 WeakPolarHBondContact O-CB 3.5Å; E228-F232 PolarHBondContact O-N 3Å
229F75.4Confident72.6Confident84 Ų8480.7 Ų80.737%0.36843%0.427SS..Hα-helixtrans-66-40.9173.9-173-103.1000112.3I147 A151 P226 H227 F232 L233I147-F229 HydrophobicContact CG2-CD2 3.95Å; I147-F229 HydrophobicContact CG2-CE2 3.89Å; A151-F229 HydrophobicContact CB-CE2 4.18Å; P226-F229 WeakPolarHBondContact O-CB 3.47Å; P226-F229 PolarHBondContact O-N 3.35Å; H227-F229 VanDerWaalsContact C-N 3.32Å; F229-F232 WeakPolarHBondContact O-CB 3.47Å; F229-F232 PolarHBondContact O-N 2.9Å; F229-L233 HydrophobicContact CD1-CD1 4.06Å; F229-L233 HydrophobicContact CE1-CD1 3.61Å; F229-L233 HydrophobicContact CE1-CG 4.17Å; F229-L233 HydrophobicContact CZ-CD1 4.18Å; F229-L233 HydrophobicContact CZ-CD2 4.45Å; F229-L233 HydrophobicContact CZ-CG 4.37Å; F229-L233 WeakPolarHBondContact O-CG 3.22Å; F229-L233 PolarHBondContact O-N 3.49Å
230I78.4Confident73.8Confident91 Ų9182.2 Ų82.247%0.46743%0.433SS..Hα-helixtrans-64.9-42.1174.1-63.4171.4000110.6P226 H227 F232 L233 K234P226-I230 PolarHBondContact O-N 2.94Å; H227-I230 PolarHBondContact O-N 3.47Å; I230-F232 VanDerWaalsContact C-N 3.3Å; I230-F232 PolarHBondContact O-N 3.02Å; I230-L233 PolarHBondContact O-N 3.21Å; I230-K234 HydrophobicContact CG2-CD 4.49Å; I230-K234 WeakPolarHBondContact O-CG 3.24Å; I230-K234 PolarHBondContact O-N 3.24Å
231G81.3Confident75.1Confident31 Ų3184.7 Ų84.732%0.3243%0.431SS..Hα-helixtrans-60.7-40.5174.900000112.4H227 E228 K234 S235H227-G231 PolarHBondContact O-N 3.17Å; H227-G231 VanDerWaalsContact O-N 3.09Å; E228-G231 PolarHBondContact O-N 2.95Å; G231-K234 PolarHBondContact O-N 3.04Å; G231-S235 WeakPolarHBondContact O-CB 3.21Å; G231-S235 PolarHBondContact O-N 3.44Å; G231-S235 PolarHBondContact O-OG 3.42Å
232F83.3Confident76.6Confident9 Ų982.9 Ų82.94%0.03942%0.424CS..Hα-helixtrans-59.1-51.7174.4176.5-98.2000111.7A151 A155 T167 Y190 V191 V194 E228 F229 I230 K234 S235 L236A151-F232 HydrophobicContact CB-CD1 4.44Å; A151-F232 HydrophobicContact CB-CE1 3.8Å; A151-F232 HydrophobicContact CB-CZ 4.23Å; A155-F232 HydrophobicContact CB-CZ 4.14Å; T167-F232 HydrophobicContact CG2-CZ 4.28Å; Y190-F232 AromaticContact CD1-CD2 3.74Å; Y190-F232 HydrophobicContact CD1-CD2 3.74Å; Y190-F232 AromaticContact CD1-CE2 3.86Å; Y190-F232 HydrophobicContact CD1-CE2 3.86Å; Y190-F232 HydrophobicContact CE1-CD2 4.29Å; Y190-F232 HydrophobicContact CE1-CE2 4.05Å; V191-F232 HydrophobicContact CG2-CB 4.47Å; V191-F232 HydrophobicContact CG2-CD2 3.86Å; V194-F232 HydrophobicContact CG2-CE2 3.73Å; V194-F232 HydrophobicContact CG2-CZ 4.18Å; E228-F232 WeakPolarHBondContact O-CB 3.5Å; E228-F232 PolarHBondContact O-N 3Å; F229-F232 WeakPolarHBondContact O-CB 3.47Å; F229-F232 PolarHBondContact O-N 2.9Å; I230-F232 VanDerWaalsContact C-N 3.3Å; I230-F232 PolarHBondContact O-N 3.02Å; F232-K234 PolarHBondContact O-N 2.93Å; F232-S235 PolarHBondContact O-N 2.97Å; F232-L236 HydrophobicContact CE1-CD2 4.33Å; F232-L236 WeakPolarHBondContact O-CB 3.32Å; F232-L236 PolarHBondContact O-N 2.9Å
233L84.6Confident77.4Confident56 Ų5681.7 Ų81.729%0.29342%0.42SS..Hα-helixtrans-60.7-44.6179-70.3176.2000112.6L154 F229 I230 S235 L236 C237L154-L233 HydrophobicContact CD2-CD2 3.45Å; L154-L233 VanDerWaalsContact CD2-CD2 3.45Å; F229-L233 HydrophobicContact CD1-CD1 4.06Å; F229-L233 HydrophobicContact CE1-CD1 3.61Å; F229-L233 HydrophobicContact CE1-CG 4.17Å; F229-L233 HydrophobicContact CZ-CD1 4.18Å; F229-L233 HydrophobicContact CZ-CD2 4.45Å; F229-L233 HydrophobicContact CZ-CG 4.37Å; F229-L233 WeakPolarHBondContact O-CG 3.22Å; F229-L233 PolarHBondContact O-N 3.49Å; I230-L233 PolarHBondContact O-N 3.21Å; L233-S235 VanDerWaalsContact C-N 3.29Å; L233-S235 PolarHBondContact O-N 3.35Å; L233-L236 PolarHBondContact O-N 2.88Å; L233-C237 PolarHBondContact O-N 3.43Å; L233-C237 PolarHBondContact O-SG 2.97Å; L233-C237 VanDerWaalsContact O-SG 3.35Å
234K84.4Confident78.4Confident150 Ų15078 Ų7865%0.65240%0.403SS*.Hα-helixtrans-59.3-42.1177.4-75.4-176.5178.4-174.80112.1I230 G231 F232 Y238I230-K234 HydrophobicContact CG2-CD 4.49Å; I230-K234 WeakPolarHBondContact O-CG 3.24Å; I230-K234 PolarHBondContact O-N 3.24Å; G231-K234 PolarHBondContact O-N 3.04Å; F232-K234 PolarHBondContact O-N 2.93Å; K234-Y238 PolarHBondContact O-N 3Å
235S83.8Confident79.4Confident42 Ų4276.6 Ų76.629%0.29440%0.395SS..Hα-helixtrans-73.6-36.2-178.9-47.20000111.3G231 F232 L233 Y238 L239G231-S235 WeakPolarHBondContact O-CB 3.21Å; G231-S235 PolarHBondContact O-N 3.44Å; G231-S235 PolarHBondContact O-OG 3.42Å; F232-S235 PolarHBondContact O-N 2.97Å; L233-S235 VanDerWaalsContact C-N 3.29Å; L233-S235 PolarHBondContact O-N 3.35Å; S235-Y238 WeakPolarHBondContact O-CB 3.5Å; S235-Y238 PolarHBondContact O-N 3.48Å; S235-L239 WeakPolarHBondContact O-CG 3.38Å; S235-L239 PolarHBondContact O-N 3.15Å
236L85.7Confident80.3Confident2 Ų279.1 Ų79.11%0.0140%0.4CS..Hα-helixtrans-61.1-45.6172.7-177.361000111.5L154 A155 M158 L159 V194 F232 L233 Y238 L239 F240L154-L236 HydrophobicContact CD2-CD2 3.98Å; L154-L236 HydrophobicContact CG-CD2 3.81Å; A155-L236 HydrophobicContact CB-CD1 4.15Å; A155-L236 HydrophobicContact CB-CD2 4.29Å; M158-L236 HydrophobicContact CB-CD1 4.41Å; M158-L236 HydrophobicContact CE-CG 4.18Å; M158-L236 HydrophobicContact SD-CD2 3.61Å; M158-L236 HydrophobicContact SD-CG 3.88Å; L159-L236 HydrophobicContact CD1-CD1 3.48Å; L159-L236 VanDerWaalsContact CD1-CD1 3.48Å; L159-L236 HydrophobicContact CD2-CD1 4.01Å; L159-L236 HydrophobicContact CG-CD1 3.6Å; V194-L236 HydrophobicContact CG1-CD1 4.38Å; F232-L236 HydrophobicContact CE1-CD2 4.33Å; F232-L236 WeakPolarHBondContact O-CB 3.32Å; F232-L236 PolarHBondContact O-N 2.9Å; L233-L236 PolarHBondContact O-N 2.88Å; L236-Y238 VanDerWaalsContact C-N 3.29Å; L236-Y238 PolarHBondContact O-N 3.14Å; L236-L239 PolarHBondContact O-N 2.96Å; L236-F240 WeakPolarHBondContact O-CB 3.5Å; L236-F240 PolarHBondContact O-N 2.97Å
237C86Confident81.2Confident57 Ų5777.6 Ų77.639%0.38538%0.384SS..Hα-helixtrans-61.1-38.7173-67.80000112L233 F240 I241L233-C237 PolarHBondContact O-N 3.43Å; L233-C237 PolarHBondContact O-SG 2.97Å; L233-C237 VanDerWaalsContact O-SG 3.35Å; C237-F240 PolarHBondContact O-N 3.41Å; C237-I241 HydrophobicContact CB-CD1 4.49Å; C237-I241 WeakPolarHBondContact O-CB 3.46Å; C237-I241 WeakPolarHBondContact O-CD1 3.34Å; C237-I241 WeakPolarHBondContact O-CG1 3.37Å; C237-I241 PolarHBondContact O-N 3.49Å
238Y86.6Confident81.8Confident117 Ų11772.6 Ų72.646%0.45936%0.362SS..Hα-helixtrans-61-50.3175.7-176-78000111.2I186 K234 S235 L236 F240 I241 F242I186-Y238 HydrophobicContact CD1-CD1 3.99Å; I186-Y238 HydrophobicContact CD1-CE1 3.32Å; K234-Y238 PolarHBondContact O-N 3Å; S235-Y238 WeakPolarHBondContact O-CB 3.5Å; S235-Y238 PolarHBondContact O-N 3.48Å; L236-Y238 VanDerWaalsContact C-N 3.29Å; L236-Y238 PolarHBondContact O-N 3.14Å; Y238-F240 VanDerWaalsContact C-N 3.26Å; Y238-F240 PolarHBondContact O-N 2.82Å; Y238-I241 PolarHBondContact O-N 3.38Å; Y238-F242 HydrophobicContact CD1-CB 4.39Å; Y238-F242 HydrophobicContact CD1-CD2 4.34Å; Y238-F242 AromaticContact CD2-CD2 3.51Å; Y238-F242 HydrophobicContact CD2-CD2 3.51Å; Y238-F242 AromaticContact CD2-CE2 3.96Å; Y238-F242 HydrophobicContact CD2-CE2 3.96Å; Y238-F242 HydrophobicContact CD2-CG 4.47Å; Y238-F242 HydrophobicContact CE1-CB 3.99Å; Y238-F242 HydrophobicContact CE1-CD2 4.36Å; Y238-F242 AromaticContact CE2-CD2 3.59Å; Y238-F242 HydrophobicContact CE2-CD2 3.59Å; Y238-F242 HydrophobicContact CE2-CE2 4.11Å; Y238-F242 HydrophobicContact CE2-CG 4.22Å; Y238-F242 AromaticContact CG-CD2 3.91Å; Y238-F242 HydrophobicContact CG-CD2 3.91Å; Y238-F242 WeakPolarHBondContact O-CB 3.16Å; Y238-F242 PolarHBondContact O-N 3.15Å
239L85.8Confident82.5Confident2 Ų271.1 Ų71.11%0.0136%0.356CS..Hα-helixtrans-61.9-35.3178.4-65174.6000112L159 V191 E195 S235 L236 G243 Y244L159-L239 HydrophobicContact CD1-CB 4.47Å; L159-L239 HydrophobicContact CD1-CD1 4.23Å; L159-L239 HydrophobicContact CD2-CB 3.95Å; V191-L239 HydrophobicContact CG1-CD1 3.81Å; E195-L239 HydrophobicContact CB-CD1 3.99Å; E195-L239 HydrophobicContact CB-CD2 4.46Å; E195-L239 HydrophobicContact CG-CD1 4.4Å; E195-L239 HydrophobicContact CG-CD2 4.01Å; S235-L239 WeakPolarHBondContact O-CG 3.38Å; S235-L239 PolarHBondContact O-N 3.15Å; L236-L239 PolarHBondContact O-N 2.96Å; L239-G243 CarbonylContact O-C 3.49Å; L239-G243 VanDerWaalsContact O-C 3.27Å; L239-G243 WeakPolarHBondContact O-CA 3.32Å; L239-G243 PolarHBondContact O-N 3.25Å; L239-G243 VanDerWaalsContact O-N 3.1Å; L239-Y244 HydrophobicContact CB-CD1 4.3Å
240F85.7Confident83Confident122 Ų12270.2 Ų70.254%0.53536%0.356SS..Hα-helixtrans-70.4-42.4176.7-177.5-109.5000112.9M158 L159 L236 C237 Y238M158-F240 HydrophobicContact CB-CD2 4.37Å; M158-F240 HydrophobicContact CE-CB 3.86Å; M158-F240 HydrophobicContact CE-CD1 4.1Å; M158-F240 HydrophobicContact CE-CG 3.9Å; M158-F240 WeakPolarHBondContact O-CD2 3.25Å; M158-F240 WeakPolarHBondContact O-CE2 3.34Å; L159-F240 HydrophobicContact CD2-CB 4.2Å; L236-F240 WeakPolarHBondContact O-CB 3.5Å; L236-F240 PolarHBondContact O-N 2.97Å; C237-F240 PolarHBondContact O-N 3.41Å; Y238-F240 VanDerWaalsContact C-N 3.26Å; Y238-F240 PolarHBondContact O-N 2.82Å
241I84.8Confident83.3Confident114 Ų11468.7 Ų68.759%0.58535%0.348SS*.Hα-helixtrans-82.5-46.1-174-66.5167000111.9C237 Y238C237-I241 HydrophobicContact CB-CD1 4.49Å; C237-I241 WeakPolarHBondContact O-CB 3.46Å; C237-I241 WeakPolarHBondContact O-CD1 3.34Å; C237-I241 WeakPolarHBondContact O-CG1 3.37Å; C237-I241 PolarHBondContact O-N 3.49Å; Y238-I241 PolarHBondContact O-N 3.38Å
242F84.5Confident83.5Confident145 Ų14571.6 Ų71.664%0.63635%0.35SS*.Hα-helixtrans-99.1-1.8-174.4-60.6-70.7000112.7Y238Y238-F242 HydrophobicContact CD1-CB 4.39Å; Y238-F242 HydrophobicContact CD1-CD2 4.34Å; Y238-F242 AromaticContact CD2-CD2 3.51Å; Y238-F242 HydrophobicContact CD2-CD2 3.51Å; Y238-F242 AromaticContact CD2-CE2 3.96Å; Y238-F242 HydrophobicContact CD2-CE2 3.96Å; Y238-F242 HydrophobicContact CD2-CG 4.47Å; Y238-F242 HydrophobicContact CE1-CB 3.99Å; Y238-F242 HydrophobicContact CE1-CD2 4.36Å; Y238-F242 AromaticContact CE2-CD2 3.59Å; Y238-F242 HydrophobicContact CE2-CD2 3.59Å; Y238-F242 HydrophobicContact CE2-CE2 4.11Å; Y238-F242 HydrophobicContact CE2-CG 4.22Å; Y238-F242 AromaticContact CG-CD2 3.91Å; Y238-F242 HydrophobicContact CG-CD2 3.91Å; Y238-F242 WeakPolarHBondContact O-CB 3.16Å; Y238-F242 PolarHBondContact O-N 3.15Å
243G77.7Confident83.5Confident31 Ų3176.8 Ų76.832%0.3238%0.376SS..  trans75.8-177.3-176.700000112.7L239L239-G243 CarbonylContact O-C 3.49Å; L239-G243 VanDerWaalsContact O-C 3.27Å; L239-G243 WeakPolarHBondContact O-CA 3.32Å; L239-G243 PolarHBondContact O-N 3.25Å; L239-G243 VanDerWaalsContact O-N 3.1Å
244Y72.4Confident83.4Confident84 Ų8478.7 Ų78.733%0.32938%0.383SS..  trans-129.90171.443.1-94.1000107.3L159 A198 R199 A202 L239L159-Y244 HydrophobicContact CB-CE1 4.36Å; L159-Y244 HydrophobicContact CD2-CD1 4.45Å; L159-Y244 HydrophobicContact CD2-CE1 4.07Å; L159-Y244 PolarHBondContact O-OH 3.23Å; L159-Y244 VanDerWaalsContact O-OH 3.08Å; A198-Y244 HydrophobicContact CB-CD1 4.04Å; A198-Y244 HydrophobicContact CB-CD2 4.32Å; A198-Y244 HydrophobicContact CB-CE1 3.68Å; A198-Y244 HydrophobicContact CB-CE2 3.93Å; A198-Y244 HydrophobicContact CB-CG 4.33Å; A198-Y244 WeakPolarHBondContact O-CE2 3.39Å; A198-Y244 PolarHBondContact O-OH 3.31Å; R199-Y244 VanDerWaalsContact CA-CD2 3.48Å; R199-Y244 HydrophobicContact CB-CD2 4.12Å; R199-Y244 HydrophobicContact CG-CD2 3.55Å; R199-Y244 HydrophobicContact CG-CE2 4.49Å; R199-Y244 HydrophobicContact CG-CG 4.04Å; R199-Y244 VanDerWaalsContact CZ-C 3.45Å; R199-Y244 PolarHBondContact NH1-OXT 3.49Å; R199-Y244 VanDerWaalsContact NH2-C 3.33Å; R199-Y244 PolarHBondContact NH2-OXT 3.37Å; A202-Y244 HydrophobicContact CB-CD2 4.32Å; A202-Y244 HydrophobicContact CB-CE2 3.45Å; A202-Y244 VanDerWaalsContact CB-CE2 3.45Å; L239-Y244 HydrophobicContact CB-CD1 4.3Å

Retrieved 244 of 244 residues in 144.3 ms (Link to these results)

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