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Oxygen sensor histidine kinase NreB

Member of the two-component regulatory system NreB/NreC involved in the control of dissimilatory nitrate/nitrite reduction in response to oxygen. NreB functions as a direct oxygen sensor histidine kinase which is autophosphorylated, in the absence of oxygen, probably at the conserved histidine residue, and transfers its phosphate group probably to a conserved aspartate residue of NreC. NreB/NreC activates the expression of the nitrate (narGHJI) and nitrite (nir) reductase operons, as well as the putative nitrate transporter gene narT (By similarity).

AlphaFold DB (Q2FVM6), UniProt , Accession Q99RN7, Species STAAN (Staphylococcus aureus (strain N315)), Gene nreB, Length 344 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
1M40Very low64.9Low238 Ų238138.5 Ų138.5100%1.17273%0.726SS**  0105.60-67.4173.294.800106.4N3M1-N3 PolarHBondContact O-N 3.32Å
2I56.9Low67Low168 Ų168134.6 Ų134.686%0.86271%0.705SS**  trans-76.2118.1173.4-61.2173000105E4I2-E4 PolarHBondContact O-N 3.25Å
3N47.6Very low68.9Low152 Ų152131.7 Ų131.781%0.81369%0.69SS**  trans-57.3131.1-176.7-116.4-1.5000110.7M1 D5M1-N3 PolarHBondContact O-N 3.32Å; N3-D5 PolarHBondContact O-N 3.1Å
4E50.5Low70.5Confident188 Ų188131.9 Ų131.988%0.87968%0.682SS**  trans-75.644.4-174.4-66.9176.7145.700114.1I2 S6I2-E4 PolarHBondContact O-N 3.25Å; E4-S6 VanDerWaalsContact C-N 3.29Å; E4-S6 PolarHBondContact O-N 3.49Å
5D55.1Low71.8Confident147 Ų147130.6 Ų130.679%0.78667%0.669SS**  trans-82.788.3154.5-87.2-24.9000106.2N3 I7N3-D5 PolarHBondContact O-N 3.1Å; D5-I7 VanDerWaalsContact C-N 3.29Å; D5-I7 PolarHBondContact O-N 2.87Å
6S54.3Low73.1Confident105 Ų105130.6 Ų130.673%0.73466%0.659SS**  trans-65.980.7-167.967.10000112.2E4 Q8E4-S6 VanDerWaalsContact C-N 3.29Å; E4-S6 PolarHBondContact O-N 3.49Å; S6-Q8 PolarHBondContact O-N 3.07Å
7I64.4Low74.3Confident101 Ų101125.6 Ų125.652%0.51863%0.631SS.*  trans-62110160.8-56.4177.3000105.8D5 L9 T11 L12D5-I7 VanDerWaalsContact C-N 3.29Å; D5-I7 PolarHBondContact O-N 2.87Å; I7-L9 PolarHBondContact O-N 3.3Å; I7-T11 HydrophobicContact CG2-CG2 4.03Å; I7-L12 HydrophobicContact CB-CG 4.47Å; I7-L12 HydrophobicContact CG2-CD1 4.48Å; I7-L12 HydrophobicContact CG2-CD2 3.82Å; I7-L12 HydrophobicContact CG2-CG 3.74Å
8Q82.5Confident75.3Confident133 Ų133123.1 Ų123.162%0.62162%0.617SS**  trans-57.3137177.1-68.2-176.1-21.900109.4S6 D10 T11 L12S6-Q8 PolarHBondContact O-N 3.07Å; Q8-D10 PolarHBondContact O-N 3.48Å; Q8-D10 VanDerWaalsContact O-N 3.09Å; Q8-T11 WeakPolarHBondContact O-CA 3.43Å; Q8-T11 VanDerWaalsContact O-CB 3.31Å; Q8-T11 WeakPolarHBondContact O-CB 3.34Å; Q8-T11 PolarHBondContact O-N 2.97Å; Q8-L12 PolarHBondContact O-N 3.17Å
9L86.4Confident76.2Confident115 Ų115124.2 Ų124.260%0.60262%0.619SS**Hα-helixtrans-48.9-39.6-178.8177.661.6000112.2I7 T11 L12 L13I7-L9 PolarHBondContact O-N 3.3Å; L9-T11 PolarHBondContact O-N 3.21Å; L9-L12 WeakPolarHBondContact O-CA 3.44Å; L9-L12 WeakPolarHBondContact O-CB 3.44Å; L9-L12 PolarHBondContact O-N 3.05Å; L9-L13 HydrophobicContact CD1-CD1 4.33Å; L9-L13 HydrophobicContact CD1-CG 4.13Å; L9-L13 HydrophobicContact CD2-CD1 4.49Å; L9-L13 HydrophobicContact CG-CD1 3.97Å; L9-L13 HydrophobicContact CG-CG 4.22Å; L9-L13 WeakPolarHBondContact O-CG 3.45Å; L9-L13 PolarHBondContact O-N 2.92Å
10D87.4Confident77Confident117 Ų117118.7 Ų118.763%0.62659%0.593SS**Hα-helixtrans-58.1-36.4177.8-59.6-19.6000112.7Q8 K14Q8-D10 PolarHBondContact O-N 3.48Å; Q8-D10 VanDerWaalsContact O-N 3.09Å; D10-K14 VanDerWaalsContact O-CB 3.27Å; D10-K14 WeakPolarHBondContact O-CB 3.3Å; D10-K14 PolarHBondContact O-N 3.26Å
11T88.4Confident77.6Confident60 Ų60120.3 Ų120.337%0.36860%0.603SS.*Hα-helixtrans-69.5-38.5175.7-57.40000111.1I7 Q8 L9 K15I7-T11 HydrophobicContact CG2-CG2 4.03Å; Q8-T11 WeakPolarHBondContact O-CA 3.43Å; Q8-T11 VanDerWaalsContact O-CB 3.31Å; Q8-T11 WeakPolarHBondContact O-CB 3.34Å; Q8-T11 PolarHBondContact O-N 2.97Å; L9-T11 PolarHBondContact O-N 3.21Å; T11-K15 WeakPolarHBondContact O-CB 3.31Å; T11-K15 WeakPolarHBondContact O-CG 3.32Å; T11-K15 PolarHBondContact O-N 2.95Å
12L90.2Very high80.1Confident91 Ų91111.3 Ų111.348%0.47656%0.558SS.*Hα-helixtrans-67.7-44.2176.1-68.1174.2000111.5I7 Q8 L9 K15 Y16I7-L12 HydrophobicContact CB-CG 4.47Å; I7-L12 HydrophobicContact CG2-CD1 4.48Å; I7-L12 HydrophobicContact CG2-CD2 3.82Å; I7-L12 HydrophobicContact CG2-CG 3.74Å; Q8-L12 PolarHBondContact O-N 3.17Å; L9-L12 WeakPolarHBondContact O-CA 3.44Å; L9-L12 WeakPolarHBondContact O-CB 3.44Å; L9-L12 PolarHBondContact O-N 3.05Å; L12-K15 PolarHBondContact O-N 3.46Å; L12-Y16 WeakPolarHBondContact O-CB 3.26Å; L12-Y16 PolarHBondContact O-N 3.44Å
13L91.7Very high81.7Confident97 Ų97104.4 Ų104.451%0.50852%0.521SS..Hα-helixtrans-64.8-40.8177.8-69.8176.3000111.9L9 Y16 Y17L9-L13 HydrophobicContact CD1-CD1 4.33Å; L9-L13 HydrophobicContact CD1-CG 4.13Å; L9-L13 HydrophobicContact CD2-CD1 4.49Å; L9-L13 HydrophobicContact CG-CD1 3.97Å; L9-L13 HydrophobicContact CG-CG 4.22Å; L9-L13 WeakPolarHBondContact O-CG 3.45Å; L9-L13 PolarHBondContact O-N 2.92Å; L13-Y16 WeakPolarHBondContact O-CB 3.46Å; L13-Y16 PolarHBondContact O-N 3.25Å; L13-Y17 WeakPolarHBondContact O-CB 3.3Å; L13-Y17 PolarHBondContact O-N 3.49Å
14K91.1Very high83.9Confident134 Ų13497.8 Ų97.858%0.58349%0.486SS*.Hα-helixtrans-62.8-44.8174.4-174.2173179177.60111.7D10 Y16 Y17 E18D10-K14 VanDerWaalsContact O-CB 3.27Å; D10-K14 WeakPolarHBondContact O-CB 3.3Å; D10-K14 PolarHBondContact O-N 3.26Å; K14-Y16 PolarHBondContact O-N 3.02Å; K14-Y17 PolarHBondContact O-N 2.91Å; K14-E18 WeakPolarHBondContact CE-OE1 3.44Å; K14-E18 WeakPolarHBondContact O-CG 3.46Å; K14-E18 PolarHBondContact O-N 3.47Å
15K91.2Very high85.8Confident113 Ų11388.9 Ų88.949%0.49145%0.445SS..Hα-helixtrans-63-41174.6-76.2-177.8178.3-173.90112.2T11 L12 E18 H19T11-K15 WeakPolarHBondContact O-CB 3.31Å; T11-K15 WeakPolarHBondContact O-CG 3.32Å; T11-K15 PolarHBondContact O-N 2.95Å; L12-K15 PolarHBondContact O-N 3.46Å; K15-E18 PolarHBondContact O-N 3.02Å; K15-H19 WeakPolarHBondContact O-CB 3.41Å; K15-H19 PolarHBondContact O-N 3.39Å; K15-H19 PolarHBondContact O-ND1 3.32Å
16Y92.1Very high87.4Confident130 Ų13084.3 Ų84.351%0.5142%0.418SS..Hα-helixtrans-59.3-49.3174.8175.6-97.8000110.8L12 L13 K14 E18 H19 S20 E22 I24L12-Y16 WeakPolarHBondContact O-CB 3.26Å; L12-Y16 PolarHBondContact O-N 3.44Å; L13-Y16 WeakPolarHBondContact O-CB 3.46Å; L13-Y16 PolarHBondContact O-N 3.25Å; K14-Y16 PolarHBondContact O-N 3.02Å; Y16-E18 PolarHBondContact O-N 2.86Å; Y16-H19 PolarHBondContact O-N 3.28Å; Y16-S20 WeakPolarHBondContact O-CA 3.14Å; Y16-S20 WeakPolarHBondContact O-CB 3.36Å; Y16-S20 PolarHBondContact O-N 3.06Å; Y16-E22 PolarHBondContact OH-OE2 3.36Å; Y16-I24 HydrophobicContact CE1-CD1 4.32Å
17Y93.4Very high88.9Confident47 Ų4779.3 Ų79.318%0.18438%0.383CS..Hα-helixtrans-56.8-47.9177172.1-103.4000112.5L13 K14 I24 F26 A35 M36 N37L13-Y17 WeakPolarHBondContact O-CB 3.3Å; L13-Y17 PolarHBondContact O-N 3.49Å; K14-Y17 PolarHBondContact O-N 2.91Å; Y17-I24 HydrophobicContact CD2-CB 4.22Å; Y17-I24 HydrophobicContact CD2-CD1 4.37Å; Y17-I24 HydrophobicContact CD2-CG2 4.1Å; Y17-I24 HydrophobicContact CE2-CB 4.15Å; Y17-I24 HydrophobicContact CE2-CG2 4Å; Y17-F26 AromaticContact CD2-CE2 3.85Å; Y17-F26 HydrophobicContact CD2-CE2 3.85Å; Y17-F26 HydrophobicContact CD2-CZ 4.44Å; Y17-F26 HydrophobicContact CE2-CD2 4.04Å; Y17-F26 AromaticContact CE2-CE2 3.43Å; Y17-F26 HydrophobicContact CE2-CE2 3.43Å; Y17-F26 VanDerWaalsContact CE2-CE2 3.43Å; Y17-F26 HydrophobicContact CE2-CZ 4.35Å; Y17-A35 WeakPolarHBondContact OH-CB 3.28Å; Y17-M36 WeakPolarHBondContact OH-CA 3.44Å; Y17-M36 PolarHBondContact OH-N 2.66Å; Y17-M36 PolarHBondContact OH-O 2.65Å; Y17-M36 VanDerWaalsContact OH-O 3.08Å; Y17-N37 HydrophobicContact CD1-CB 4.21Å; Y17-N37 HydrophobicContact CD2-CB 3.92Å; Y17-N37 HydrophobicContact CE1-CB 4Å; Y17-N37 HydrophobicContact CE2-CB 3.69Å; Y17-N37 HydrophobicContact CG-CB 4.21Å; Y17-N37 WeakPolarHBondContact O-CB 3.4Å; Y17-N37 PolarHBondContact O-ND2 3.06Å; Y17-N37 PolarHBondContact OH-N 2.69Å; Y17-N37 VanDerWaalsContact OH-N 3.17Å
18E92.4Very high89.8Confident80 Ų8076.2 Ų76.237%0.37437%0.367SS..Hα-helixtrans-68.2-37.7-178.8-71.8170.3177.300113.3K14 K15 Y16K14-E18 WeakPolarHBondContact CE-OE1 3.44Å; K14-E18 WeakPolarHBondContact O-CG 3.46Å; K14-E18 PolarHBondContact O-N 3.47Å; K15-E18 PolarHBondContact O-N 3.02Å; Y16-E18 PolarHBondContact O-N 2.86Å
19H92.2Very high89.7Confident143 Ų14374.5 Ų74.566%0.66236%0.362SS*.Hα-helixtrans-102.72-174-59.879.8000113.9K15 Y16K15-H19 WeakPolarHBondContact O-CB 3.41Å; K15-H19 PolarHBondContact O-N 3.39Å; K15-H19 PolarHBondContact O-ND1 3.32Å; Y16-H19 PolarHBondContact O-N 3.28Å
20S92Very high89Confident14 Ų1475 Ų7510%0.09837%0.366CS..  trans-66.7138.6176.9-174.20000110.5Y16 E22 A39Y16-S20 WeakPolarHBondContact O-CA 3.14Å; Y16-S20 WeakPolarHBondContact O-CB 3.36Å; Y16-S20 PolarHBondContact O-N 3.06Å; S20-E22 WeakPolarHBondContact OG-CB 2.99Å; S20-E22 PolarHBondContact OG-N 3.01Å; S20-A39 WeakPolarHBondContact O-CB 3.42Å
21I89.6Confident88.2Confident154 Ų15469.8 Ų69.879%0.7934%0.34SS*.SBendtrans-74.6-20168.459.2169.3000111.8
22E92.1Very high87.7Confident49 Ų4973.6 Ų73.623%0.22935%0.351CS..SBendtrans-71139.9173.7-58.4178.7160.400108.7Y16 S20 I24 N37Y16-E22 PolarHBondContact OH-OE2 3.36Å; S20-E22 WeakPolarHBondContact OG-CB 2.99Å; S20-E22 PolarHBondContact OG-N 3.01Å; E22-I24 HydrophobicContact CB-CG1 4.29Å; E22-I24 PolarHBondContact O-N 3.32Å; E22-N37 PolarHBondContact O-ND2 3.11Å
23K91.9Very high87.3Confident22 Ų2271.8 Ų71.810%0.09634%0.341CS..EExtended strand (participates in β ladder)trans-87.5114.9176.6-55.4-176.9-178-66.80107.1A39 A40 D42 I43 F102 T119 L120K23-A39 HydrophobicContact CG-CB 4.15Å; K23-A39 WeakPolarHBondContact CG-O 3.17Å; K23-A39 PolarHBondContact NZ-O 3.2Å; K23-A40 HydrophobicContact CB-CB 3.92Å; K23-D42 IonicContact NZ-OD2 3.99Å; K23-D42 PolarHBondContact NZ-OD2 2.86Å; K23-I43 HydrophobicContact CD-CB 4.31Å; K23-I43 HydrophobicContact CD-CD1 3.22Å; K23-I43 HydrophobicContact CD-CG1 3.58Å; K23-I43 VanDerWaalsContact CE-CD1 3.4Å; K23-F102 HydrophobicContact CD-CE1 4.12Å; K23-T119 CarbonylContact O-C 3.6Å; K23-T119 VanDerWaalsContact O-CA 3.27Å; K23-T119 WeakPolarHBondContact O-CA 3.35Å; K23-L120 HydrophobicContact CB-CB 4.09Å; K23-L120 PolarHBondContact N-O 3.23Å; K23-L120 PolarHBondContact O-N 3.33Å
24I92.6Very high87.1Confident13 Ų1371.5 Ų71.57%0.06734%0.34CS..EExtended strand (participates in β ladder)trans-116.7126.4-173.1-56.3172.1000108.8Y16 Y17 E22 F26 M36 N37 T119Y16-I24 HydrophobicContact CE1-CD1 4.32Å; Y17-I24 HydrophobicContact CD2-CB 4.22Å; Y17-I24 HydrophobicContact CD2-CD1 4.37Å; Y17-I24 HydrophobicContact CD2-CG2 4.1Å; Y17-I24 HydrophobicContact CE2-CB 4.15Å; Y17-I24 HydrophobicContact CE2-CG2 4Å; E22-I24 HydrophobicContact CB-CG1 4.29Å; E22-I24 PolarHBondContact O-N 3.32Å; I24-F26 HydrophobicContact CG2-CE1 4.2Å; I24-F26 HydrophobicContact CG2-CE2 4Å; I24-F26 HydrophobicContact CG2-CZ 3.76Å; I24-M36 VanDerWaalsContact O-CA 3.28Å; I24-M36 WeakPolarHBondContact O-CA 3.18Å; I24-N37 PolarHBondContact N-OD1 3.06Å; I24-N37 PolarHBondContact O-N 3.44Å; I24-N37 PolarHBondContact O-OD1 3.32Å; I24-T119 HydrophobicContact CG1-CG2 4.2Å; I24-T119 HydrophobicContact CG2-CG2 4.42Å
25V90.1Very high87Confident2 Ų267 Ų671%0.01233%0.327CS..EExtended strand (participates in β ladder)trans-129.2131.5179.5-177.30000108.5I33 M36 A40 L44 V53 A117 F118V25-I33 HydrophobicContact CG1-CG1 4.33Å; V25-I33 HydrophobicContact CG1-CG2 4.22Å; V25-M36 HydrophobicContact CG2-CB 4.13Å; V25-A40 HydrophobicContact CG2-CB 3.87Å; V25-L44 HydrophobicContact CG1-CD1 4.35Å; V25-L44 HydrophobicContact CG2-CD1 3.61Å; V25-V53 HydrophobicContact CG1-CG2 4.47Å; V25-A117 WeakPolarHBondContact O-CA 2.96Å; V25-F118 HydrophobicContact CB-CB 4.31Å; V25-F118 PolarHBondContact N-O 2.94Å; V25-F118 PolarHBondContact O-N 2.97Å
26F89.6Confident87Confident50 Ų5062.3 Ų62.322%0.21931%0.307CS..EExtended strand (participates in β ladder)trans-105.9133.2172.1-60.2-67.4000109.7Y17 I24 I33 I34 A35 I109 I115 H116 A117Y17-F26 AromaticContact CD2-CE2 3.85Å; Y17-F26 HydrophobicContact CD2-CE2 3.85Å; Y17-F26 HydrophobicContact CD2-CZ 4.44Å; Y17-F26 HydrophobicContact CE2-CD2 4.04Å; Y17-F26 AromaticContact CE2-CE2 3.43Å; Y17-F26 HydrophobicContact CE2-CE2 3.43Å; Y17-F26 VanDerWaalsContact CE2-CE2 3.43Å; Y17-F26 HydrophobicContact CE2-CZ 4.35Å; I24-F26 HydrophobicContact CG2-CE1 4.2Å; I24-F26 HydrophobicContact CG2-CE2 4Å; I24-F26 HydrophobicContact CG2-CZ 3.76Å; F26-I33 WeakPolarHBondContact O-CA 3.41Å; F26-I34 HydrophobicContact CB-CB 4.35Å; F26-I34 PolarHBondContact O-N 2.98Å; F26-A35 HydrophobicContact CD2-CB 4.13Å; F26-A35 PolarHBondContact N-O 3.21Å; F26-A35 PolarHBondContact O-N 2.88Å; F26-I109 HydrophobicContact CD1-CD1 3.52Å; F26-I109 HydrophobicContact CE1-CD1 3.46Å; F26-I109 VanDerWaalsContact CE1-CD1 3.46Å; F26-I115 HydrophobicContact CB-CG2 4.17Å; F26-I115 HydrophobicContact CD1-CG2 4.48Å; F26-H116 CarbonylContact C-O 3.57Å; F26-H116 VanDerWaalsContact CA-O 3.29Å; F26-H116 WeakPolarHBondContact CA-O 3.32Å; F26-A117 HydrophobicContact CD1-CB 3.85Å; F26-A117 HydrophobicContact CE1-CB 3.71Å
27A85.5Confident87.1Confident0 Ų056.2 Ų56.20%028%0.283CS..EExtended strand (participates in β ladder)trans-132.9146-176.800000110.9K32 V53 I115 H116A27-K32 CarbonylContact C-O 3.59Å; A27-K32 VanDerWaalsContact CA-O 3.25Å; A27-K32 WeakPolarHBondContact CA-O 3.49Å; A27-V53 HydrophobicContact CB-CB 4.07Å; A27-V53 HydrophobicContact CB-CG1 4.21Å; A27-V53 HydrophobicContact CB-CG2 3.68Å; A27-I115 CarbonylContact O-C 3.4Å; A27-I115 WeakPolarHBondContact O-CA 3.39Å; A27-H116 PolarHBondContact N-O 3.42Å; A27-H116 PolarHBondContact O-N 3.36Å
28D83.8Confident86.9Confident36 Ų3659 Ų5919%0.19330%0.301CS..  trans-78.3177.4166.872.215000112N30 G31 K32 I34 G114D28-N30 PolarHBondContact O-N 2.98Å; D28-N30 VanDerWaalsContact OD1-CA 3.32Å; D28-N30 WeakPolarHBondContact OD1-CA 3.3Å; D28-N30 VanDerWaalsContact OD1-CB 3.31Å; D28-N30 WeakPolarHBondContact OD1-CB 3.3Å; D28-N30 PolarHBondContact OD1-N 2.92Å; D28-G31 WeakPolarHBondContact O-CA 3.44Å; D28-G31 PolarHBondContact O-N 3.42Å; D28-G31 PolarHBondContact OD1-N 3.5Å; D28-K32 PolarHBondContact N-O 3.2Å; D28-K32 WeakPolarHBondContact OD1-CB 3.29Å; D28-K32 PolarHBondContact OD1-N 3.47Å; D28-K32 WeakPolarHBondContact OD2-CB 3.41Å; D28-I34 HydrophobicContact CB-CD1 4.08Å; D28-G114 CarbonylContact C-O 3.28Å; D28-G114 VanDerWaalsContact C-O 3.28Å; D28-G114 VanDerWaalsContact CA-O 3.3Å; D28-G114 WeakPolarHBondContact CA-O 3.32Å
29D80Confident86.9Confident98 Ų9856.3 Ų56.352%0.52429%0.293SS..THydrogen-bonded Turntrans-61.5-20.1177.9-75.3-30.5000114.2G114 H116D29-G114 PolarHBondContact N-O 3.43Å; D29-G114 WeakPolarHBondContact OD2-CA 3.26Å; D29-H116 IonicContact OD1-CD2 2.73Å; D29-H116 IonicContact OD1-CE1 2.95Å; D29-H116 IonicContact OD1-NE2 3.05Å; D29-H116 PolarHBondContact OD1-NE2 2.93Å
30N72.2Confident86.8Confident125 Ų12549.5 Ų49.567%0.66826%0.262SS*.THydrogen-bonded Turntrans-85.30.9172.5-53.7-64000111.7D28 K32 A52D28-N30 PolarHBondContact O-N 2.98Å; D28-N30 VanDerWaalsContact OD1-CA 3.32Å; D28-N30 WeakPolarHBondContact OD1-CA 3.3Å; D28-N30 VanDerWaalsContact OD1-CB 3.31Å; D28-N30 WeakPolarHBondContact OD1-CB 3.3Å; D28-N30 PolarHBondContact OD1-N 2.92Å; N30-K32 VanDerWaalsContact C-N 3.29Å; N30-A52 VanDerWaalsContact O-CB 3.29Å; N30-A52 WeakPolarHBondContact O-CB 3.33Å
31G70.5Confident86.5Confident8 Ų852.3 Ų52.38%0.08227%0.272CS..  trans7413-171.300000112.8D28 I33 A52 V53D28-G31 WeakPolarHBondContact O-CA 3.44Å; D28-G31 PolarHBondContact O-N 3.42Å; D28-G31 PolarHBondContact OD1-N 3.5Å; G31-I33 PolarHBondContact O-N 3.32Å; G31-A52 CarbonylContact O-C 3.57Å; G31-A52 WeakPolarHBondContact O-CA 3.41Å; G31-V53 WeakPolarHBondContact O-CA 3.34Å; G31-V53 WeakPolarHBondContact O-CB 3.35Å; G31-V53 WeakPolarHBondContact O-CG2 3.47Å; G31-V53 PolarHBondContact O-N 3.29Å
32K77.8Confident86.1Confident139 Ų13947.8 Ų47.860%0.60425%0.249SC*.  trans-70126.9178-172.8-178.7174.5-177.60109.9A27 D28 N30 I34A27-K32 CarbonylContact C-O 3.59Å; A27-K32 VanDerWaalsContact CA-O 3.25Å; A27-K32 WeakPolarHBondContact CA-O 3.49Å; D28-K32 PolarHBondContact N-O 3.2Å; D28-K32 WeakPolarHBondContact OD1-CB 3.29Å; D28-K32 PolarHBondContact OD1-N 3.47Å; D28-K32 WeakPolarHBondContact OD2-CB 3.41Å; N30-K32 VanDerWaalsContact C-N 3.29Å; K32-I34 PolarHBondContact O-N 3.19Å
33I82.1Confident85.4Confident54 Ų5445.5 Ų45.528%0.27724%0.239SC..EExtended strand (participates in β ladder)trans-62120.7174.9-57.8178.5000109V25 F26 G31 M36 V53V25-I33 HydrophobicContact CG1-CG1 4.33Å; V25-I33 HydrophobicContact CG1-CG2 4.22Å; F26-I33 WeakPolarHBondContact O-CA 3.41Å; G31-I33 PolarHBondContact O-N 3.32Å; I33-M36 HydrophobicContact CD1-CE 3.52Å; I33-M36 HydrophobicContact CG2-CE 3.85Å; I33-V53 HydrophobicContact CB-CG2 4.3Å; I33-V53 HydrophobicContact CD1-CG2 4.08Å; I33-V53 HydrophobicContact CG1-CG2 3.2Å
34I86.8Confident84.6Confident91 Ų9144.7 Ų44.747%0.46724%0.235SC..EExtended strand (participates in β ladder)trans-89.7-43.2174.2-62.7169.6000109.8F26 D28 K32 I115F26-I34 HydrophobicContact CB-CB 4.35Å; F26-I34 PolarHBondContact O-N 2.98Å; D28-I34 HydrophobicContact CB-CD1 4.08Å; K32-I34 PolarHBondContact O-N 3.19Å; I34-I115 HydrophobicContact CD1-CB 4.31Å; I34-I115 HydrophobicContact CD1-CD1 3.84Å; I34-I115 HydrophobicContact CD1-CG1 3.62Å; I34-I115 HydrophobicContact CD1-CG2 3.93Å
35A89.4Confident83.4Confident38 Ų3845.1 Ų45.131%0.31424%0.24SC..EExtended strand (participates in β ladder)trans-161.4151178.400000111Y17 F26Y17-A35 WeakPolarHBondContact OH-CB 3.28Å; F26-A35 HydrophobicContact CD2-CB 4.13Å; F26-A35 PolarHBondContact N-O 3.21Å; F26-A35 PolarHBondContact O-N 2.88Å
36M91.1Very high81.9Confident16 Ų1652.3 Ų52.38%0.07927%0.273CS..EExtended strand (participates in β ladder)trans-141.3145.1170.472.9175.67300111Y17 I24 V25 I33 A40 K41 L44Y17-M36 WeakPolarHBondContact OH-CA 3.44Å; Y17-M36 PolarHBondContact OH-N 2.66Å; Y17-M36 PolarHBondContact OH-O 2.65Å; Y17-M36 VanDerWaalsContact OH-O 3.08Å; I24-M36 VanDerWaalsContact O-CA 3.28Å; I24-M36 WeakPolarHBondContact O-CA 3.18Å; V25-M36 HydrophobicContact CG2-CB 4.13Å; I33-M36 HydrophobicContact CD1-CE 3.52Å; I33-M36 HydrophobicContact CG2-CE 3.85Å; M36-A40 HydrophobicContact CB-CB 3.97Å; M36-A40 HydrophobicContact CG-CB 4.45Å; M36-A40 HydrophobicContact SD-CB 4.46Å; M36-K41 HydrophobicContact CG-CG 4.18Å; M36-K41 HydrophobicContact SD-CG 3.88Å; M36-L44 HydrophobicContact CE-CB 3.98Å; M36-L44 HydrophobicContact SD-CB 4.13Å
37N93.2Very high80.2Confident2 Ų258.5 Ų58.51%0.01130%0.303CS..  trans-77.5168.3178.471.5-14.4000111.9Y17 E22 I24 A39 A40 K41Y17-N37 HydrophobicContact CD1-CB 4.21Å; Y17-N37 HydrophobicContact CD2-CB 3.92Å; Y17-N37 HydrophobicContact CE1-CB 4Å; Y17-N37 HydrophobicContact CE2-CB 3.69Å; Y17-N37 HydrophobicContact CG-CB 4.21Å; Y17-N37 WeakPolarHBondContact O-CB 3.4Å; Y17-N37 PolarHBondContact O-ND2 3.06Å; Y17-N37 PolarHBondContact OH-N 2.69Å; Y17-N37 VanDerWaalsContact OH-N 3.17Å; E22-N37 PolarHBondContact O-ND2 3.11Å; I24-N37 PolarHBondContact N-OD1 3.06Å; I24-N37 PolarHBondContact O-N 3.44Å; I24-N37 PolarHBondContact O-OD1 3.32Å; N37-A39 PolarHBondContact O-N 3.3Å; N37-A40 WeakPolarHBondContact O-CB 3.39Å; N37-A40 PolarHBondContact O-N 2.9Å; N37-A40 VanDerWaalsContact OD1-CB 3.31Å; N37-A40 WeakPolarHBondContact OD1-CB 3.35Å; N37-A40 PolarHBondContact OD1-N 2.98Å; N37-K41 PolarHBondContact O-N 2.88Å
38D90.7Very high78.8Confident104 Ų10460.7 Ų60.756%0.55631%0.314SS*.THydrogen-bonded Turntrans-61.2-33.5-178.5-73.6-24.3000112.5A40 K41D38-A40 VanDerWaalsContact C-N 3.32Å; D38-A40 PolarHBondContact O-N 3.2Å; D38-K41 WeakPolarHBondContact O-CB 3.16Å; D38-K41 PolarHBondContact O-N 3.02Å; D38-K41 WeakPolarHBondContact OD1-CE 3.14Å; D38-K41 IonicContact OD1-NZ 3.56Å; D38-K41 PolarHBondContact OD1-NZ 3.49Å
39A91.7Very high77.1Confident24 Ų2466.6 Ų66.620%0.19835%0.346CS..THydrogen-bonded Turntrans-61.7-38.9173.700000112.2S20 K23 N37 K41 D42S20-A39 WeakPolarHBondContact O-CB 3.42Å; K23-A39 HydrophobicContact CG-CB 4.15Å; K23-A39 WeakPolarHBondContact CG-O 3.17Å; K23-A39 PolarHBondContact NZ-O 3.2Å; N37-A39 PolarHBondContact O-N 3.3Å; A39-K41 VanDerWaalsContact C-N 3.27Å; A39-K41 PolarHBondContact O-N 3.43Å; A39-D42 PolarHBondContact O-N 2.84Å
40A89.7Confident75.8Confident1 Ų167 Ų671%0.00834%0.341CS..G310 helixtrans-67.9-25177.900000113.6K23 V25 M36 N37 D38 D42 I43 L44K23-A40 HydrophobicContact CB-CB 3.92Å; V25-A40 HydrophobicContact CG2-CB 3.87Å; M36-A40 HydrophobicContact CB-CB 3.97Å; M36-A40 HydrophobicContact CG-CB 4.45Å; M36-A40 HydrophobicContact SD-CB 4.46Å; N37-A40 WeakPolarHBondContact O-CB 3.39Å; N37-A40 PolarHBondContact O-N 2.9Å; N37-A40 VanDerWaalsContact OD1-CB 3.31Å; N37-A40 WeakPolarHBondContact OD1-CB 3.35Å; N37-A40 PolarHBondContact OD1-N 2.98Å; D38-A40 VanDerWaalsContact C-N 3.32Å; D38-A40 PolarHBondContact O-N 3.2Å; A40-D42 PolarHBondContact O-N 3.15Å; A40-D42 VanDerWaalsContact O-N 3.1Å; A40-I43 PolarHBondContact O-N 3.09Å; A40-L44 PolarHBondContact O-N 2.64Å
41K85.8Confident74.9Confident73 Ų7366 Ų6632%0.31734%0.344SS..G310 helixtrans-63.3-16.9179-66.7178.1-177.3161.80114.4M36 N37 D38 A39 I43 L44 K95M36-K41 HydrophobicContact CG-CG 4.18Å; M36-K41 HydrophobicContact SD-CG 3.88Å; N37-K41 PolarHBondContact O-N 2.88Å; D38-K41 WeakPolarHBondContact O-CB 3.16Å; D38-K41 PolarHBondContact O-N 3.02Å; D38-K41 WeakPolarHBondContact OD1-CE 3.14Å; D38-K41 IonicContact OD1-NZ 3.56Å; D38-K41 PolarHBondContact OD1-NZ 3.49Å; A39-K41 VanDerWaalsContact C-N 3.27Å; A39-K41 PolarHBondContact O-N 3.43Å; K41-I43 VanDerWaalsContact C-N 3.31Å; K41-L44 CarbonylContact C-O 3.5Å; K41-L44 VanDerWaalsContact CA-O 3.22Å; K41-L44 WeakPolarHBondContact CA-O 3.45Å; K41-K95 WeakPolarHBondContact O-CD 3.39Å; K41-K95 WeakPolarHBondContact O-CE 3.31Å; K41-K95 PolarHBondContact O-NZ 3.04Å
42D81.4Confident74.3Confident59 Ų5966.4 Ų66.432%0.31635%0.347SS..G310 helixtrans-74.9-21.8173.5167.353.2000112.6K23 A39 A40 K95K23-D42 IonicContact NZ-OD2 3.99Å; K23-D42 PolarHBondContact NZ-OD2 2.86Å; A39-D42 PolarHBondContact O-N 2.84Å; A40-D42 PolarHBondContact O-N 3.15Å; A40-D42 VanDerWaalsContact O-N 3.1Å; D42-K95 WeakPolarHBondContact O-CG 3.3Å; D42-K95 PolarHBondContact O-N 2.93Å
43I77.2Confident73.4Confident1 Ų159.9 Ų59.91%0.00532%0.318CS..THydrogen-bonded Turntrans-108.6-35.8175.4-60.9-174.6000112K23 A40 K41 R60 M92 F102 L120K23-I43 HydrophobicContact CD-CB 4.31Å; K23-I43 HydrophobicContact CD-CD1 3.22Å; K23-I43 HydrophobicContact CD-CG1 3.58Å; K23-I43 VanDerWaalsContact CE-CD1 3.4Å; A40-I43 PolarHBondContact O-N 3.09Å; K41-I43 VanDerWaalsContact C-N 3.31Å; I43-R60 WeakPolarHBondContact O-CD 3.41Å; I43-R60 PolarHBondContact O-NE 3.31Å; I43-R60 PolarHBondContact O-NH1 3.47Å; I43-M92 HydrophobicContact CD1-CB 3.92Å; I43-M92 HydrophobicContact CD1-CG 4.42Å; I43-M92 HydrophobicContact CG2-CB 4.24Å; I43-M92 HydrophobicContact CG2-CE 3.67Å; I43-F102 HydrophobicContact CD1-CD2 4.35Å; I43-F102 HydrophobicContact CD1-CE1 3.99Å; I43-F102 HydrophobicContact CD1-CE2 3.7Å; I43-F102 HydrophobicContact CD1-CZ 3.53Å; I43-L120 HydrophobicContact CD1-CD1 3.78Å
44L74.7Confident72.3Confident4 Ų458.8 Ų58.82%0.02132%0.318CS..  trans-119.8136.5-178.5-63.4169000109.2V25 M36 A40 K41 A56V25-L44 HydrophobicContact CG1-CD1 4.35Å; V25-L44 HydrophobicContact CG2-CD1 3.61Å; M36-L44 HydrophobicContact CE-CB 3.98Å; M36-L44 HydrophobicContact SD-CB 4.13Å; A40-L44 PolarHBondContact O-N 2.64Å; K41-L44 CarbonylContact C-O 3.5Å; K41-L44 VanDerWaalsContact CA-O 3.22Å; K41-L44 WeakPolarHBondContact CA-O 3.45Å; L44-A56 HydrophobicContact CD2-CB 4.05Å
45S67.2Low71.1Confident23 Ų2357.8 Ų57.816%0.16131%0.313CS..  trans-103.2149.4172.472.80000110.7E47 D48S45-E47 PolarHBondContact O-N 3.28Å; S45-D48 WeakPolarHBondContact CB-OD2 3.2Å; S45-D48 PolarHBondContact N-OD2 2.98Å; S45-D48 WeakPolarHBondContact O-CB 3.25Å; S45-D48 PolarHBondContact O-N 2.88Å; S45-D48 PolarHBondContact OG-N 3.28Å; S45-D48 PolarHBondContact OG-OD1 3.42Å; S45-D48 PolarHBondContact OG-OD2 2.97Å
46E59.1Low69.8Low153 Ų15356.2 Ų56.272%0.71530%0.3SS*.THydrogen-bonded Turntrans-66.2-19.9172.2-69.4176.8-16900111.8D48E46-D48 VanDerWaalsContact C-N 3.34Å
47E55.2Low68.7Low179 Ų17955.5 Ų55.584%0.83630%0.296SS*.THydrogen-bonded Turntrans-82.2-10.5176.2-65-176.9-179.800113.5S45 N49S45-E47 PolarHBondContact O-N 3.28Å; E47-N49 PolarHBondContact O-N 3.13Å
48D54.4Low67.4Low46 Ų4658.5 Ų58.525%0.24632%0.317CS..  trans-69.775.9169.4-70.1-43.2000107.5S45 E46 Y50S45-D48 WeakPolarHBondContact CB-OD2 3.2Å; S45-D48 PolarHBondContact N-OD2 2.98Å; S45-D48 WeakPolarHBondContact O-CB 3.25Å; S45-D48 PolarHBondContact O-N 2.88Å; S45-D48 PolarHBondContact OG-N 3.28Å; S45-D48 PolarHBondContact OG-OD1 3.42Å; S45-D48 PolarHBondContact OG-OD2 2.97Å; E46-D48 VanDerWaalsContact C-N 3.34Å; D48-Y50 HydrophobicContact CB-CD2 3.83Å; D48-Y50 HydrophobicContact CB-CE2 4.11Å; D48-Y50 PolarHBondContact O-N 3.02Å
49N49.3Very low66.3Low161 Ų16159 Ų5986%0.86132%0.315SS*.  trans-74.754.2-175.2-153.59.6000110.5E47E47-N49 PolarHBondContact O-N 3.13Å
50Y53.1Low65.5Low105 Ų10559.5 Ų59.541%0.41231%0.312SS..  trans-94.1130175.6-68-82.8000108.3D48 A52 N55 H59D48-Y50 HydrophobicContact CB-CD2 3.83Å; D48-Y50 HydrophobicContact CB-CE2 4.11Å; D48-Y50 PolarHBondContact O-N 3.02Å; Y50-A52 PolarHBondContact O-N 3.06Å; Y50-N55 HydrophobicContact CD1-CB 4.17Å; Y50-N55 HydrophobicContact CG-CB 4.29Å; Y50-H59 AromaticContact CD1-CD2 3.52Å; Y50-H59 AromaticContact CD1-NE2 3.56Å; Y50-H59 AromaticContact CE1-CD2 3.19Å; Y50-H59 WeakPolarHBondContact CE1-CD2 3.11Å; Y50-H59 AromaticContact CE1-NE2 3.1Å; Y50-H59 WeakPolarHBondContact CE1-NE2 3.42Å; Y50-H59 AromaticContact CZ-CD2 3.47Å; Y50-H59 VanDerWaalsContact CZ-CD2 3.47Å; Y50-H59 AromaticContact CZ-NE2 3.76Å
51S51.8Low64.7Low104 Ų10460.2 Ų60.273%0.72732%0.317SS*.SBendtrans-57.9-6-176.851.50000115.3
52A59.3Low64.2Low18 Ų1860.6 Ų60.615%0.14932%0.32CS..SBendtrans-156.4145.9177.600000111.5N30 G31 Y50 A54 N55 A56N30-A52 VanDerWaalsContact O-CB 3.29Å; N30-A52 WeakPolarHBondContact O-CB 3.33Å; G31-A52 CarbonylContact O-C 3.57Å; G31-A52 WeakPolarHBondContact O-CA 3.41Å; Y50-A52 PolarHBondContact O-N 3.06Å; A52-A54 HydrophobicContact CB-CB 4.36Å; A52-A54 PolarHBondContact O-N 3.26Å; A52-N55 WeakPolarHBondContact O-CA 3.32Å; A52-N55 WeakPolarHBondContact O-CB 3.44Å; A52-N55 PolarHBondContact O-N 3.08Å; A52-A56 PolarHBondContact O-N 3.38Å
53V58.3Low63.7Low1 Ų157.8 Ų57.81%0.00631%0.305CS..Hα-helixtrans-57.2-34.4171157.30000109.9V25 A27 G31 I33 N55 A56 I57V25-V53 HydrophobicContact CG1-CG2 4.47Å; A27-V53 HydrophobicContact CB-CB 4.07Å; A27-V53 HydrophobicContact CB-CG1 4.21Å; A27-V53 HydrophobicContact CB-CG2 3.68Å; G31-V53 WeakPolarHBondContact O-CA 3.34Å; G31-V53 WeakPolarHBondContact O-CB 3.35Å; G31-V53 WeakPolarHBondContact O-CG2 3.47Å; G31-V53 PolarHBondContact O-N 3.29Å; I33-V53 HydrophobicContact CB-CG2 4.3Å; I33-V53 HydrophobicContact CD1-CG2 4.08Å; I33-V53 HydrophobicContact CG1-CG2 3.2Å; V53-N55 VanDerWaalsContact C-N 3.28Å; V53-N55 PolarHBondContact O-N 3.06Å; V53-A56 PolarHBondContact O-N 2.97Å; V53-I57 HydrophobicContact CG1-CD1 3.29Å; V53-I57 HydrophobicContact CG1-CG1 3.98Å; V53-I57 VanDerWaalsContact O-CB 3.25Å; V53-I57 WeakPolarHBondContact O-CB 3.25Å; V53-I57 VanDerWaalsContact O-CG1 3.23Å; V53-I57 WeakPolarHBondContact O-CG1 3.34Å; V53-I57 PolarHBondContact O-N 3.37Å
54A59.7Low63.3Low32 Ų3259.1 Ų59.126%0.26431%0.31SS..Hα-helixtrans-55.4-45.1170.600000111.5A52 C58 L78A52-A54 HydrophobicContact CB-CB 4.36Å; A52-A54 PolarHBondContact O-N 3.26Å; A54-C58 WeakPolarHBondContact O-CB 3.34Å; A54-C58 PolarHBondContact O-N 2.94Å; A54-L78 HydrophobicContact CB-CB 4.27Å; A54-L78 HydrophobicContact CB-CD1 4.23Å; A54-L78 HydrophobicContact CB-CD2 4.05Å; A54-L78 HydrophobicContact CB-CG 4.41Å; A54-L78 WeakPolarHBondContact O-CD1 3.28Å
55N61Low63Low70 Ų7061.3 Ų61.337%0.37432%0.324SS..Hα-helixtrans-70.9-44.9177.1-72.2-20.2000111.6Y50 A52 V53 I57 C58 H59Y50-N55 HydrophobicContact CD1-CB 4.17Å; Y50-N55 HydrophobicContact CG-CB 4.29Å; A52-N55 WeakPolarHBondContact O-CA 3.32Å; A52-N55 WeakPolarHBondContact O-CB 3.44Å; A52-N55 PolarHBondContact O-N 3.08Å; V53-N55 VanDerWaalsContact C-N 3.28Å; V53-N55 PolarHBondContact O-N 3.06Å; N55-I57 PolarHBondContact O-N 3.35Å; N55-C58 PolarHBondContact O-N 2.91Å; N55-H59 WeakPolarHBondContact O-CB 3.32Å; N55-H59 PolarHBondContact O-CD2 3.49Å; N55-H59 PolarHBondContact O-N 3.36Å
56A61.4Low62.8Low4 Ų461.9 Ų61.93%0.03333%0.325CS..Hα-helixtrans-63.6-41.1-179.400000112.7L44 A52 V53L44-A56 HydrophobicContact CD2-CB 4.05Å; A52-A56 PolarHBondContact O-N 3.38Å; V53-A56 PolarHBondContact O-N 2.97Å
57I67.7Low62.6Low1 Ų159.1 Ų59.11%0.00533%0.328CS..Hα-helixtrans-68.7-47.3173.8-66.3171.4000109.7V53 N55 H59 R60 C61 F77 L78 M92 F118V53-I57 HydrophobicContact CG1-CD1 3.29Å; V53-I57 HydrophobicContact CG1-CG1 3.98Å; V53-I57 VanDerWaalsContact O-CB 3.25Å; V53-I57 WeakPolarHBondContact O-CB 3.25Å; V53-I57 VanDerWaalsContact O-CG1 3.23Å; V53-I57 WeakPolarHBondContact O-CG1 3.34Å; V53-I57 PolarHBondContact O-N 3.37Å; N55-I57 PolarHBondContact O-N 3.35Å; I57-H59 VanDerWaalsContact C-N 3.33Å; I57-H59 PolarHBondContact O-N 3.36Å; I57-R60 CarbonylContact O-C 3.6Å; I57-R60 PolarHBondContact O-N 2.85Å; I57-C61 HydrophobicContact CG2-CB 4.46Å; I57-C61 WeakPolarHBondContact O-CB 3.48Å; I57-C61 PolarHBondContact O-N 2.86Å; I57-F77 HydrophobicContact CG2-CZ 4.27Å; I57-L78 HydrophobicContact CB-CD1 4.24Å; I57-L78 HydrophobicContact CG2-CD1 4.14Å; I57-M92 HydrophobicContact CG2-CE 4.06Å; I57-M92 HydrophobicContact CG2-SD 4.44Å; I57-F118 HydrophobicContact CD1-CD1 3.48Å; I57-F118 VanDerWaalsContact CD1-CD1 3.48Å; I57-F118 HydrophobicContact CD1-CD2 4.28Å; I57-F118 HydrophobicContact CD1-CE1 3.41Å; I57-F118 VanDerWaalsContact CD1-CE1 3.41Å; I57-F118 HydrophobicContact CD1-CE2 4.21Å; I57-F118 HydrophobicContact CD1-CG 3.91Å; I57-F118 HydrophobicContact CD1-CZ 3.79Å; I57-F118 HydrophobicContact CG1-CD1 4.34Å; I57-F118 HydrophobicContact CG1-CE1 3.99Å; I57-F118 HydrophobicContact CG2-CE1 4.36Å; I57-F118 HydrophobicContact CG2-CZ 4.16Å
58C66.6Low62.6Low66 Ų6660.3 Ų60.345%0.44633%0.327SS..Hα-helixtrans-60.8-39.7-178.9-174.20000112.3A54 N55 R60 C61 L78A54-C58 WeakPolarHBondContact O-CB 3.34Å; A54-C58 PolarHBondContact O-N 2.94Å; N55-C58 PolarHBondContact O-N 2.91Å; C58-R60 PolarHBondContact O-N 2.93Å; C58-R60 VanDerWaalsContact O-N 3.13Å; C58-C61 PolarHBondContact O-N 2.92Å; C58-L78 HydrophobicContact CB-CD1 4.3Å
59H68.9Low62.7Low113 Ų11362 Ų6252%0.52334%0.336SS..THydrogen-bonded Turntrans-63.3-19.5176.8-79.8-56000114.2Y50 N55 I57Y50-H59 AromaticContact CD1-CD2 3.52Å; Y50-H59 AromaticContact CD1-NE2 3.56Å; Y50-H59 AromaticContact CE1-CD2 3.19Å; Y50-H59 WeakPolarHBondContact CE1-CD2 3.11Å; Y50-H59 AromaticContact CE1-NE2 3.1Å; Y50-H59 WeakPolarHBondContact CE1-NE2 3.42Å; Y50-H59 AromaticContact CZ-CD2 3.47Å; Y50-H59 VanDerWaalsContact CZ-CD2 3.47Å; Y50-H59 AromaticContact CZ-NE2 3.76Å; N55-H59 WeakPolarHBondContact O-CB 3.32Å; N55-H59 PolarHBondContact O-CD2 3.49Å; N55-H59 PolarHBondContact O-N 3.36Å; I57-H59 VanDerWaalsContact C-N 3.33Å; I57-H59 PolarHBondContact O-N 3.36Å
60R72.8Confident63.2Low36 Ų3659.3 Ų59.314%0.13633%0.325CS..THydrogen-bonded Turntrans-116.7-10-178.6-58.3-166.771.3147.2-1.6113.5I43 I57 C58 M92 K93 T94I43-R60 WeakPolarHBondContact O-CD 3.41Å; I43-R60 PolarHBondContact O-NE 3.31Å; I43-R60 PolarHBondContact O-NH1 3.47Å; I57-R60 CarbonylContact O-C 3.6Å; I57-R60 PolarHBondContact O-N 2.85Å; C58-R60 PolarHBondContact O-N 2.93Å; C58-R60 VanDerWaalsContact O-N 3.13Å; R60-M92 HydrophobicContact CB-CE 4.05Å; R60-M92 WeakPolarHBondContact O-CA 3.38Å; R60-K93 PolarHBondContact NE-O 3.49Å; R60-K93 PolarHBondContact NH2-O 3.22Å; R60-K93 PolarHBondContact O-N 3.38Å; R60-T94 PolarHBondContact NH2-O 2.93Å
61C74.1Confident63.8Low15 Ų1559 Ų5910%0.10133%0.327CS..EExtended strand (participates in β ladder)trans-81.1113.8172.2-174.50000107.4I57 C58 G63 F91 M92I57-C61 HydrophobicContact CG2-CB 4.46Å; I57-C61 WeakPolarHBondContact O-CB 3.48Å; I57-C61 PolarHBondContact O-N 2.86Å; C58-C61 PolarHBondContact O-N 2.92Å; C61-G63 PolarHBondContact O-N 3.38Å; C61-G63 PolarHBondContact SG-N 3.26Å; C61-F91 WeakPolarHBondContact CA-O 3.32Å; C61-M92 HydrophobicContact CB-SD 3.81Å
62E75Confident64.3Low81 Ų8154.7 Ų54.738%0.37930%0.297SS..EExtended strand (participates in β ladder)trans-85.46.6174.9-63.9-78.3177.500110.8Q71 F91 K93 V99E62-Q71 VanDerWaalsContact O-CD 3.31Å; E62-Q71 WeakPolarHBondContact O-CG 3.41Å; E62-Q71 PolarHBondContact O-NE2 3.24Å; E62-F91 PolarHBondContact N-O 3.29Å; E62-K93 HydrophobicContact CG-CB 4.35Å; E62-K93 IonicContact OE1-NZ 2.68Å; E62-V99 HydrophobicContact CB-CG1 4.29Å; E62-V99 HydrophobicContact CG-CG1 4.36Å; E62-V99 HydrophobicContact CG-CG2 3.95Å
63G70.7Confident64.5Low0 Ų057.4 Ų57.40%031%0.314CS..EExtended strand (participates in β ladder)trans132.1167.8177.300000112.8C61 S72 F91C61-G63 PolarHBondContact O-N 3.38Å; C61-G63 PolarHBondContact SG-N 3.26Å; G63-S72 WeakPolarHBondContact CA-O 3.37Å; G63-F91 PolarHBondContact O-N 2.97Å
64Y70.1Confident64.5Low29 Ų2964.6 Ų64.611%0.11435%0.345CS..EExtended strand (participates in β ladder)trans-124.1157.4175.578-81.8000110.6N66 S72 K74 D75 C76 Q89Y64-N66 HydrophobicContact CD2-CB 4.29Å; Y64-N66 HydrophobicContact CE2-CB 3.63Å; Y64-S72 WeakPolarHBondContact CD1-O 3.47Å; Y64-S72 WeakPolarHBondContact CE1-O 3.37Å; Y64-S72 PolarHBondContact N-O 3.16Å; Y64-S72 PolarHBondContact O-N 3.27Å; Y64-K74 VanDerWaalsContact CE1-O 3.27Å; Y64-K74 WeakPolarHBondContact CE1-O 3.44Å; Y64-K74 PolarHBondContact OH-O 3.05Å; Y64-D75 VanDerWaalsContact OH-C 3.28Å; Y64-D75 PolarHBondContact OH-O 3.21Å; Y64-C76 HydrophobicContact CE1-CB 4.36Å; Y64-Q89 VanDerWaalsContact CA-O 3.28Å; Y64-Q89 WeakPolarHBondContact CA-O 3.24Å; Y64-Q89 WeakPolarHBondContact CB-O 3.24Å
65T66.7Low64.3Low50 Ų5069.8 Ų69.831%0.30737%0.369SS..  trans-79.8123.7176.5-55.70000109.6V70 Q89T65-V70 VanDerWaalsContact CA-O 3.26Å; T65-V70 WeakPolarHBondContact CA-O 3.26Å; T65-V70 PolarHBondContact N-O 2.91Å; T65-V70 PolarHBondContact OG1-O 3.43Å; T65-Q89 PolarHBondContact N-O 3.27Å
66N64.3Low64.4Low36 Ų3667.2 Ų67.219%0.19336%0.356CS..  trans-125.3-173.4173.57028.8000110.8Y64 Y68 D69Y64-N66 HydrophobicContact CD2-CB 4.29Å; Y64-N66 HydrophobicContact CE2-CB 3.63Å; N66-Y68 PolarHBondContact O-N 3.35Å; N66-Y68 PolarHBondContact OD1-N 3.1Å; N66-D69 PolarHBondContact N-O 2.79Å; N66-D69 PolarHBondContact OD1-N 2.75Å; N66-D69 PolarHBondContact OD1-O 2.82Å
67A54.7Low64.3Low95 Ų9568 Ų6879%0.78536%0.359SS*.SBendtrans-67.2-15.4-177.100000114.1
68Y53.6Low63.9Low203 Ų20370 Ų7080%0.79637%0.369SS*.SBendtrans-112.2-35.7-171.6-56.9-70.4000112.7N66N66-Y68 PolarHBondContact O-N 3.35Å; N66-Y68 PolarHBondContact OD1-N 3.1Å
69D57.4Low63.3Low83 Ų8375 Ų7544%0.44439%0.386SS..  trans-138.9143.7-173.5-69.4-47.6000110.7N66 Q71N66-D69 PolarHBondContact N-O 2.79Å; N66-D69 PolarHBondContact OD1-N 2.75Å; N66-D69 PolarHBondContact OD1-O 2.82Å; D69-Q71 PolarHBondContact O-N 2.81Å
70V60.4Low62.5Low103 Ų10372.3 Ų72.362%0.62438%0.38SS*.SBendtrans-65.7-30.4175.2-179.10000111.1T65 F91T65-V70 VanDerWaalsContact CA-O 3.26Å; T65-V70 WeakPolarHBondContact CA-O 3.26Å; T65-V70 PolarHBondContact N-O 2.91Å; T65-V70 PolarHBondContact OG1-O 3.43Å; V70-F91 HydrophobicContact CG1-CE2 4.22Å; V70-F91 HydrophobicContact CG1-CZ 4.05Å; V70-F91 VanDerWaalsContact O-CE2 3.29Å; V70-F91 WeakPolarHBondContact O-CE2 3.39Å
71Q64.9Low61.3Low98 Ų9879.6 Ų79.646%0.45842%0.418SS..SBendtrans-144.398.6-175.1-173175.7200109.8E62 D69 F91E62-Q71 VanDerWaalsContact O-CD 3.31Å; E62-Q71 WeakPolarHBondContact O-CG 3.41Å; E62-Q71 PolarHBondContact O-NE2 3.24Å; D69-Q71 PolarHBondContact O-N 2.81Å; Q71-F91 HydrophobicContact CG-CD2 4.4Å
72S62.1Low60Low15 Ų1587.6 Ų87.611%0.10545%0.454CS..BIsolated β-bridgetrans-140.9154.3178.5-175.40000111.3G63 Y64 K74G63-S72 WeakPolarHBondContact CA-O 3.37Å; Y64-S72 WeakPolarHBondContact CD1-O 3.47Å; Y64-S72 WeakPolarHBondContact CE1-O 3.37Å; Y64-S72 PolarHBondContact N-O 3.16Å; Y64-S72 PolarHBondContact O-N 3.27Å; S72-K74 PolarHBondContact OG-N 3.33Å
73C65Low58.9Low75 Ų7585.5 Ų85.551%0.50745%0.447SS..  trans-107.90.9171.9-62.80000112.5C76C73-C76 WeakPolarHBondContact O-CB 3.28Å; C73-C76 PolarHBondContact O-N 3.42Å
74K57.3Low57.8Low151 Ų15194.1 Ų94.166%0.65749%0.487SS*.THydrogen-bonded Turntrans-65.7135.6174.6-70.7-177.4177.3173.90109.3Y64 S72 C76Y64-K74 VanDerWaalsContact CE1-O 3.27Å; Y64-K74 WeakPolarHBondContact CE1-O 3.44Å; Y64-K74 PolarHBondContact OH-O 3.05Å; S72-K74 PolarHBondContact OG-N 3.33Å; K74-C76 VanDerWaalsContact C-N 3.26Å; K74-C76 PolarHBondContact O-N 2.85Å
75D56.3Low57Low141 Ų14196.6 Ų96.675%0.75451%0.513SS*.THydrogen-bonded Turntrans57.634.2-177.1-54.6-40.9000114Y64 F77Y64-D75 VanDerWaalsContact OH-C 3.28Å; Y64-D75 PolarHBondContact OH-O 3.21Å; D75-F77 PolarHBondContact O-N 3.32Å
76C61.7Low56.9Low16 Ų1697.5 Ų97.511%0.10852%0.519CS..  trans-54133.1-178.9-174.20000111.9Y64 C73 K74 L78 E79Y64-C76 HydrophobicContact CE1-CB 4.36Å; C73-C76 WeakPolarHBondContact O-CB 3.28Å; C73-C76 PolarHBondContact O-N 3.42Å; K74-C76 VanDerWaalsContact C-N 3.26Å; K74-C76 PolarHBondContact O-N 2.85Å; C76-L78 PolarHBondContact O-N 2.83Å; C76-E79 PolarHBondContact O-N 2.76Å
77F60.8Low57.5Low21 Ų21101.6 Ų101.69%0.09254%0.541CS..THydrogen-bonded Turntrans-54.3-26.6-176.170.7-83.8000114I57 D75 E79 S80 F88 V90 F118I57-F77 HydrophobicContact CG2-CZ 4.27Å; D75-F77 PolarHBondContact O-N 3.32Å; F77-E79 VanDerWaalsContact C-N 3.27Å; F77-E79 PolarHBondContact O-N 2.9Å; F77-S80 PolarHBondContact O-N 2.79Å; F77-S80 PolarHBondContact O-OG 3.42Å; F77-F88 HydrophobicContact CB-CE1 4.45Å; F77-F88 HydrophobicContact CB-CZ 4.3Å; F77-F88 HydrophobicContact CD1-CD2 4.03Å; F77-F88 AromaticContact CD1-CE2 3.31Å; F77-F88 HydrophobicContact CD1-CE2 3.31Å; F77-F88 AromaticContact CD1-CZ 3.63Å; F77-F88 HydrophobicContact CD1-CZ 3.63Å; F77-F88 HydrophobicContact CD2-CE1 4.02Å; F77-F88 AromaticContact CD2-CE2 4Å; F77-F88 HydrophobicContact CD2-CE2 4Å; F77-F88 AromaticContact CD2-CZ 3.39Å; F77-F88 HydrophobicContact CD2-CZ 3.39Å; F77-F88 HydrophobicContact CE1-CD2 4.27Å; F77-F88 AromaticContact CE1-CE2 3.27Å; F77-F88 HydrophobicContact CE1-CE2 3.27Å; F77-F88 AromaticContact CE1-CZ 3.69Å; F77-F88 HydrophobicContact CE1-CZ 3.69Å; F77-F88 HydrophobicContact CE2-CE1 4.41Å; F77-F88 AromaticContact CE2-CE2 3.94Å; F77-F88 HydrophobicContact CE2-CE2 3.94Å; F77-F88 AromaticContact CE2-CZ 3.42Å; F77-F88 HydrophobicContact CE2-CZ 3.42Å; F77-F88 VanDerWaalsContact CE2-CZ 3.42Å; F77-F88 HydrophobicContact CG-CD2 4.46Å; F77-F88 HydrophobicContact CG-CE1 4.07Å; F77-F88 AromaticContact CG-CE2 3.69Å; F77-F88 HydrophobicContact CG-CE2 3.69Å; F77-F88 AromaticContact CG-CZ 3.48Å; F77-F88 HydrophobicContact CG-CZ 3.48Å; F77-F88 VanDerWaalsContact CG-CZ 3.48Å; F77-F88 AromaticContact CZ-CE2 3.59Å; F77-F88 HydrophobicContact CZ-CE2 3.59Å; F77-F88 AromaticContact CZ-CZ 3.57Å; F77-F88 HydrophobicContact CZ-CZ 3.57Å; F77-V90 HydrophobicContact CE1-CG1 4.26Å; F77-F118 HydrophobicContact CE2-CE2 4.07Å; F77-F118 HydrophobicContact CZ-CE2 4.04Å; F77-F118 HydrophobicContact CZ-CZ 4.35Å
78L58.3Low58.6Low42 Ų4298.4 Ų98.422%0.2251%0.509CS..THydrogen-bonded Turntrans-69.5-22.5178.6-68.7168.5000113.4A54 I57 C58 C76A54-L78 HydrophobicContact CB-CB 4.27Å; A54-L78 HydrophobicContact CB-CD1 4.23Å; A54-L78 HydrophobicContact CB-CD2 4.05Å; A54-L78 HydrophobicContact CB-CG 4.41Å; A54-L78 WeakPolarHBondContact O-CD1 3.28Å; I57-L78 HydrophobicContact CB-CD1 4.24Å; I57-L78 HydrophobicContact CG2-CD1 4.14Å; C58-L78 HydrophobicContact CB-CD1 4.3Å; C76-L78 PolarHBondContact O-N 2.83Å
79E53.9Low60Low172 Ų17291.5 Ų91.580%0.80448%0.484SS*.THydrogen-bonded Turntrans-88.3-17.4176-67.1-172.6163.800112.5C76 F77C76-E79 PolarHBondContact O-N 2.76Å; F77-E79 VanDerWaalsContact C-N 3.27Å; F77-E79 PolarHBondContact O-N 2.9Å
80S51.8Low61.3Low57 Ų5787.6 Ų87.640%0.39946%0.463SS..  trans-98.895.8178.560.40000111.1F77 Q82 V83F77-S80 PolarHBondContact O-N 2.79Å; F77-S80 PolarHBondContact O-OG 3.42Å; S80-Q82 PolarHBondContact O-N 2.72Å; S80-V83 WeakPolarHBondContact O-CG2 3.49Å
81M47.4Very low62.6Low189 Ų18984 Ų8493%0.93144%0.439SS*.THydrogen-bonded Turntrans-64.112173.2-83.5-173.9158.300114.9
82Q48.6Very low63.5Low182 Ų18279.4 Ų79.485%0.8542%0.418SS*.THydrogen-bonded Turntrans-105.411.2-177.1-93.4-175.8-12.600114.5S80 Q84S80-Q82 PolarHBondContact O-N 2.72Å; Q82-Q84 PolarHBondContact O-N 3.04Å
83V50.2Low64.6Low38 Ų3881.5 Ų81.523%0.2343%0.425CS..  trans-77.985.1-174.3-1770000111.5S80 A85 T86S80-V83 WeakPolarHBondContact O-CG2 3.49Å; V83-A85 PolarHBondContact O-N 3.07Å; V83-T86 HydrophobicContact CG1-CG2 4.38Å; V83-T86 WeakPolarHBondContact CG1-OG1 3.44Å
84Q48.2Very low65.6Low181 Ų18178.1 Ų78.185%0.84640%0.402SS*.SBendtrans-70.9104.5158-76.4-179.4-18.600108.6Q82 T86Q82-Q84 PolarHBondContact O-N 3.04Å; Q84-T86 PolarHBondContact O-N 3.32Å
85A53.4Low66.7Low80 Ų8075.9 Ų75.966%0.66139%0.392SS*.SBendtrans49.653.8160.200000116.6V83V83-A85 PolarHBondContact O-N 3.07Å
86T65Low68Low70 Ų7075.9 Ų75.943%0.42939%0.392SS..  trans-102.1129170.661.50000111.2V83 Q84 F88V83-T86 HydrophobicContact CG1-CG2 4.38Å; V83-T86 WeakPolarHBondContact CG1-OG1 3.44Å; Q84-T86 PolarHBondContact O-N 3.32Å; T86-F88 WeakPolarHBondContact O-CD1 3.39Å
87N75.9Confident68.9Low122 Ų12281.2 Ų81.265%0.65242%0.415SS*.EExtended strand (participates in β ladder)trans-82.6131165.2-63.7-7.9000107.4T103 A104 T105N87-T103 HydrophobicContact CB-CG2 4.24Å; N87-A104 WeakPolarHBondContact CA-O 3.48Å; N87-T105 HydrophobicContact CB-CG2 4.48Å; N87-T105 WeakPolarHBondContact OD1-CG2 3.39Å
88F78.9Confident70.1Confident27 Ų2786.3 Ų86.312%0.11844%0.437CS..EExtended strand (participates in β ladder)trans-140155.3178.953.8-85.2000110.7F77 T86 V90 T103 A104 F118F77-F88 HydrophobicContact CB-CE1 4.45Å; F77-F88 HydrophobicContact CB-CZ 4.3Å; F77-F88 HydrophobicContact CD1-CD2 4.03Å; F77-F88 AromaticContact CD1-CE2 3.31Å; F77-F88 HydrophobicContact CD1-CE2 3.31Å; F77-F88 AromaticContact CD1-CZ 3.63Å; F77-F88 HydrophobicContact CD1-CZ 3.63Å; F77-F88 HydrophobicContact CD2-CE1 4.02Å; F77-F88 AromaticContact CD2-CE2 4Å; F77-F88 HydrophobicContact CD2-CE2 4Å; F77-F88 AromaticContact CD2-CZ 3.39Å; F77-F88 HydrophobicContact CD2-CZ 3.39Å; F77-F88 HydrophobicContact CE1-CD2 4.27Å; F77-F88 AromaticContact CE1-CE2 3.27Å; F77-F88 HydrophobicContact CE1-CE2 3.27Å; F77-F88 AromaticContact CE1-CZ 3.69Å; F77-F88 HydrophobicContact CE1-CZ 3.69Å; F77-F88 HydrophobicContact CE2-CE1 4.41Å; F77-F88 AromaticContact CE2-CE2 3.94Å; F77-F88 HydrophobicContact CE2-CE2 3.94Å; F77-F88 AromaticContact CE2-CZ 3.42Å; F77-F88 HydrophobicContact CE2-CZ 3.42Å; F77-F88 VanDerWaalsContact CE2-CZ 3.42Å; F77-F88 HydrophobicContact CG-CD2 4.46Å; F77-F88 HydrophobicContact CG-CE1 4.07Å; F77-F88 AromaticContact CG-CE2 3.69Å; F77-F88 HydrophobicContact CG-CE2 3.69Å; F77-F88 AromaticContact CG-CZ 3.48Å; F77-F88 HydrophobicContact CG-CZ 3.48Å; F77-F88 VanDerWaalsContact CG-CZ 3.48Å; F77-F88 AromaticContact CZ-CE2 3.59Å; F77-F88 HydrophobicContact CZ-CE2 3.59Å; F77-F88 AromaticContact CZ-CZ 3.57Å; F77-F88 HydrophobicContact CZ-CZ 3.57Å; T86-F88 WeakPolarHBondContact O-CD1 3.39Å; F88-V90 HydrophobicContact CD2-CG1 3.42Å; F88-V90 VanDerWaalsContact CD2-CG1 3.42Å; F88-V90 HydrophobicContact CE2-CG1 3.35Å; F88-T103 CarbonylContact O-C 3.5Å; F88-A104 HydrophobicContact CD2-CB 3.91Å; F88-A104 HydrophobicContact CE1-CB 4.24Å; F88-A104 HydrophobicContact CE2-CB 3.42Å; F88-A104 VanDerWaalsContact CE2-CB 3.42Å; F88-A104 HydrophobicContact CG-CB 4.48Å; F88-A104 HydrophobicContact CZ-CB 3.59Å; F88-A104 PolarHBondContact N-O 2.71Å; F88-A104 PolarHBondContact O-N 2.91Å; F88-F118 HydrophobicContact CZ-CE2 4.21Å
89Q83.3Confident71.4Confident59 Ų5987.2 Ų87.228%0.27645%0.445SS..EExtended strand (participates in β ladder)trans-94.2127.6179.5-173.3175.9-42.800110.2Y64 T65 F102Y64-Q89 VanDerWaalsContact CA-O 3.28Å; Y64-Q89 WeakPolarHBondContact CA-O 3.24Å; Y64-Q89 WeakPolarHBondContact CB-O 3.24Å; T65-Q89 PolarHBondContact N-O 3.27Å; Q89-F102 CarbonylContact C-O 3.58Å; Q89-F102 WeakPolarHBondContact CA-O 3.47Å
90V84.8Confident73Confident0 Ų080.5 Ų80.50%041%0.414CS..EExtended strand (participates in β ladder)trans-124.1151.5177.9-63.40000111.4F77 F88 M92 P101 F102 A104 L120F77-V90 HydrophobicContact CE1-CG1 4.26Å; F88-V90 HydrophobicContact CD2-CG1 3.42Å; F88-V90 VanDerWaalsContact CD2-CG1 3.42Å; F88-V90 HydrophobicContact CE2-CG1 3.35Å; V90-M92 HydrophobicContact CB-SD 4.43Å; V90-M92 HydrophobicContact CG2-CG 3.85Å; V90-M92 HydrophobicContact CG2-SD 4.11Å; V90-P101 CarbonylContact O-C 3.43Å; V90-P101 WeakPolarHBondContact O-CA 3.48Å; V90-F102 HydrophobicContact CG2-CB 4.02Å; V90-F102 PolarHBondContact N-O 2.97Å; V90-F102 PolarHBondContact O-N 2.89Å; V90-A104 HydrophobicContact CG1-CB 4.15Å; V90-A104 HydrophobicContact CG2-CB 3.83Å; V90-L120 HydrophobicContact CG2-CD2 3.73Å
91F86.4Confident74.8Confident29 Ų2978.6 Ų78.613%0.12740%0.4CS..EExtended strand (participates in β ladder)trans-105.9112.2173.4-67.9-92.5000108.9C61 E62 G63 V70 Q71 V99 M100 P101C61-F91 WeakPolarHBondContact CA-O 3.32Å; E62-F91 PolarHBondContact N-O 3.29Å; G63-F91 PolarHBondContact O-N 2.97Å; V70-F91 HydrophobicContact CG1-CE2 4.22Å; V70-F91 HydrophobicContact CG1-CZ 4.05Å; V70-F91 VanDerWaalsContact O-CE2 3.29Å; V70-F91 WeakPolarHBondContact O-CE2 3.39Å; Q71-F91 HydrophobicContact CG-CD2 4.4Å; F91-V99 HydrophobicContact CB-CG1 3.76Å; F91-V99 HydrophobicContact CD1-CG1 4.31Å; F91-M100 WeakPolarHBondContact CA-O 3.46Å; F91-P101 HydrophobicContact CD1-CB 4.08Å; F91-P101 HydrophobicContact CE1-CB 3.8Å; F91-P101 HydrophobicContact CZ-CB 4.4Å
92M84.9Confident76.9Confident1 Ų169.7 Ų69.71%0.00536%0.356CS..EExtended strand (participates in β ladder)trans-110.3136.1-176.2-59-63.8-66.800110.6I43 I57 R60 C61 V90 M100 F102 L120I43-M92 HydrophobicContact CD1-CB 3.92Å; I43-M92 HydrophobicContact CD1-CG 4.42Å; I43-M92 HydrophobicContact CG2-CB 4.24Å; I43-M92 HydrophobicContact CG2-CE 3.67Å; I57-M92 HydrophobicContact CG2-CE 4.06Å; I57-M92 HydrophobicContact CG2-SD 4.44Å; R60-M92 HydrophobicContact CB-CE 4.05Å; R60-M92 WeakPolarHBondContact O-CA 3.38Å; C61-M92 HydrophobicContact CB-SD 3.81Å; V90-M92 HydrophobicContact CB-SD 4.43Å; V90-M92 HydrophobicContact CG2-CG 3.85Å; V90-M92 HydrophobicContact CG2-SD 4.11Å; M92-M100 PolarHBondContact N-O 2.64Å; M92-M100 PolarHBondContact O-N 3.1Å; M92-F102 HydrophobicContact CB-CD2 3.71Å; M92-F102 HydrophobicContact CB-CE2 3.75Å; M92-F102 HydrophobicContact CG-CD2 3.81Å; M92-F102 HydrophobicContact CG-CE2 4.32Å; M92-L120 HydrophobicContact CG-CD1 4.15Å
93K85.8Confident78.8Confident58 Ų5863 Ų6325%0.25233%0.328SS..EExtended strand (participates in β ladder)trans-83.3115.3173.7-161.9-178.8-145.4-1790110.8R60 E62 K98 V99R60-K93 PolarHBondContact NE-O 3.49Å; R60-K93 PolarHBondContact NH2-O 3.22Å; R60-K93 PolarHBondContact O-N 3.38Å; E62-K93 HydrophobicContact CG-CB 4.35Å; E62-K93 IonicContact OE1-NZ 2.68Å; K93-K98 WeakPolarHBondContact CA-O 3.25Å; K93-V99 HydrophobicContact CG-CG2 4.44Å
94T84Confident80.6Confident5 Ų561.1 Ų61.13%0.03132%0.317CS..  trans-71.7168.8176.3700000111.8R60 D96 Q97 K98 M100R60-T94 PolarHBondContact NH2-O 2.93Å; T94-D96 PolarHBondContact O-N 2.88Å; T94-Q97 PolarHBondContact O-N 3.04Å; T94-K98 PolarHBondContact N-O 3.06Å; T94-K98 PolarHBondContact OG1-N 2.89Å; T94-K98 PolarHBondContact OG1-O 3.18Å; T94-M100 HydrophobicContact CG2-CG 4.22Å; T94-M100 HydrophobicContact CG2-SD 3.8Å
95K82Confident82.4Confident104 Ų10454 Ų5445%0.45229%0.286SS..THydrogen-bonded Turntrans-56.6-30.4177.2-86.3177.6170.5172.40112.8K41 D42 Q97K41-K95 WeakPolarHBondContact O-CD 3.39Å; K41-K95 WeakPolarHBondContact O-CE 3.31Å; K41-K95 PolarHBondContact O-NZ 3.04Å; D42-K95 WeakPolarHBondContact O-CG 3.3Å; D42-K95 PolarHBondContact O-N 2.93Å; K95-Q97 PolarHBondContact O-N 3.2Å
96D82.7Confident83.8Confident140 Ų14052.5 Ų52.575%0.74926%0.263SS*.THydrogen-bonded Turntrans-79.514.7175.6-59.5-27.9000113.6T94 K98T94-D96 PolarHBondContact O-N 2.88Å; D96-K98 PolarHBondContact O-N 2.72Å; D96-K98 VanDerWaalsContact O-N 3.11Å
97Q81.6Confident84.8Confident128 Ų12854.5 Ų54.560%0.59827%0.267SS*.SBendtrans62.713.4-179.6-56.3-73.1-25.900114.4T94 K95T94-Q97 PolarHBondContact O-N 3.04Å; K95-Q97 PolarHBondContact O-N 3.2Å
98K85Confident85.2Confident128 Ų12852.1 Ų52.156%0.55725%0.254SS*.  trans-85128.8176-170.9178.7178.8-178.20110K93 T94 D96 M100K93-K98 WeakPolarHBondContact CA-O 3.25Å; T94-K98 PolarHBondContact N-O 3.06Å; T94-K98 PolarHBondContact OG1-N 2.89Å; T94-K98 PolarHBondContact OG1-O 3.18Å; D96-K98 PolarHBondContact O-N 2.72Å; D96-K98 VanDerWaalsContact O-N 3.11Å; K98-M100 HydrophobicContact CD-CG 4.12Å; K98-M100 HydrophobicContact CD-SD 4.14Å; K98-M100 HydrophobicContact CG-CG 4.01Å
99V86.2Confident85.8Confident62 Ų6255 Ų5538%0.37627%0.27SS..EExtended strand (participates in β ladder)trans-83.2126.8172.4-175.90000108.6E62 F91 K93E62-V99 HydrophobicContact CB-CG1 4.29Å; E62-V99 HydrophobicContact CG-CG1 4.36Å; E62-V99 HydrophobicContact CG-CG2 3.95Å; F91-V99 HydrophobicContact CB-CG1 3.76Å; F91-V99 HydrophobicContact CD1-CG1 4.31Å; K93-V99 HydrophobicContact CG-CG2 4.44Å
100M87.4Confident86.1Confident30 Ų3054.3 Ų54.315%0.14827%0.268CS..EExtended strand (participates in β ladder)trans-132.8143.3-178.7-63.7-175.966.800111.1F91 M92 T94 K98 F102 N122 S124F91-M100 WeakPolarHBondContact CA-O 3.46Å; M92-M100 PolarHBondContact N-O 2.64Å; M92-M100 PolarHBondContact O-N 3.1Å; T94-M100 HydrophobicContact CG2-CG 4.22Å; T94-M100 HydrophobicContact CG2-SD 3.8Å; K98-M100 HydrophobicContact CD-CG 4.12Å; K98-M100 HydrophobicContact CD-SD 4.14Å; K98-M100 HydrophobicContact CG-CG 4.01Å; M100-F102 HydrophobicContact CB-CD2 4.49Å; M100-F102 HydrophobicContact CB-CE2 3.65Å; M100-F102 HydrophobicContact CB-CZ 4.08Å; M100-F102 WeakPolarHBondContact O-CD2 3.44Å; M100-F102 VanDerWaalsContact O-CE2 3.31Å; M100-F102 WeakPolarHBondContact O-CE2 3.29Å; M100-N122 WeakPolarHBondContact CE-ND2 3.45Å; M100-S124 VanDerWaalsContact CE-OG 3.28Å; M100-S124 WeakPolarHBondContact CE-OG 3.27Å
101P89.8Confident86.2Confident18 Ų1862.3 Ų62.312%0.11731%0.306CS..EExtended strand (participates in β ladder)trans-79135.9176.731.6-34.9000111.5V90 F91 V123 S124 I127V90-P101 CarbonylContact O-C 3.43Å; V90-P101 WeakPolarHBondContact O-CA 3.48Å; F91-P101 HydrophobicContact CD1-CB 4.08Å; F91-P101 HydrophobicContact CE1-CB 3.8Å; F91-P101 HydrophobicContact CZ-CB 4.4Å; P101-V123 HydrophobicContact CB-CG2 3.88Å; P101-V123 HydrophobicContact CG-CG2 4.23Å; P101-V123 PolarHBondContact O-N 3.34Å; P101-V123 VanDerWaalsContact O-N 3.14Å; P101-S124 WeakPolarHBondContact CD-OG 3.25Å; P101-I127 HydrophobicContact CB-CD1 3.66Å; P101-I127 HydrophobicContact CG-CD1 3.64Å
102F90Very high86.4Confident2 Ų268.7 Ų68.71%0.00934%0.341CS..EExtended strand (participates in β ladder)trans-131.3145.4174.8-63.6-94.1000110.6K23 I43 Q89 V90 M92 M100 L120 Q121 N122K23-F102 HydrophobicContact CD-CE1 4.12Å; I43-F102 HydrophobicContact CD1-CD2 4.35Å; I43-F102 HydrophobicContact CD1-CE1 3.99Å; I43-F102 HydrophobicContact CD1-CE2 3.7Å; I43-F102 HydrophobicContact CD1-CZ 3.53Å; Q89-F102 CarbonylContact C-O 3.58Å; Q89-F102 WeakPolarHBondContact CA-O 3.47Å; V90-F102 HydrophobicContact CG2-CB 4.02Å; V90-F102 PolarHBondContact N-O 2.97Å; V90-F102 PolarHBondContact O-N 2.89Å; M92-F102 HydrophobicContact CB-CD2 3.71Å; M92-F102 HydrophobicContact CB-CE2 3.75Å; M92-F102 HydrophobicContact CG-CD2 3.81Å; M92-F102 HydrophobicContact CG-CE2 4.32Å; M100-F102 HydrophobicContact CB-CD2 4.49Å; M100-F102 HydrophobicContact CB-CE2 3.65Å; M100-F102 HydrophobicContact CB-CZ 4.08Å; M100-F102 WeakPolarHBondContact O-CD2 3.44Å; M100-F102 VanDerWaalsContact O-CE2 3.31Å; M100-F102 WeakPolarHBondContact O-CE2 3.29Å; F102-L120 HydrophobicContact CB-CB 4.05Å; F102-L120 HydrophobicContact CB-CD2 3.98Å; F102-L120 HydrophobicContact CD1-CB 3.77Å; F102-L120 HydrophobicContact CG-CB 4.08Å; F102-Q121 CarbonylContact C-O 3.45Å; F102-Q121 WeakPolarHBondContact CA-O 3.24Å; F102-N122 HydrophobicContact CD1-CB 4Å; F102-N122 HydrophobicContact CE1-CB 3.67Å; F102-N122 HydrophobicContact CZ-CB 4.47Å
103T90Very high86.6Confident40 Ų4077.8 Ų77.825%0.24538%0.376CS..EExtended strand (participates in β ladder)trans-84.2120.6158.3-60.40000107.8N87 F88 L120 Q121 V123N87-T103 HydrophobicContact CB-CG2 4.24Å; F88-T103 CarbonylContact O-C 3.5Å; T103-L120 WeakPolarHBondContact O-CA 3.38Å; T103-Q121 PolarHBondContact N-O 2.87Å; T103-Q121 PolarHBondContact O-N 3.39Å; T103-V123 VanDerWaalsContact OG1-CG1 3.31Å; T103-V123 WeakPolarHBondContact OG1-CG1 3.28Å
104A87.1Confident86.7Confident0 Ų075.2 Ų75.20%037%0.365CS..EExtended strand (participates in β ladder)trans-101.3143.717800000111N87 F88 V90 F118 T119 L120N87-A104 WeakPolarHBondContact CA-O 3.48Å; F88-A104 HydrophobicContact CD2-CB 3.91Å; F88-A104 HydrophobicContact CE1-CB 4.24Å; F88-A104 HydrophobicContact CE2-CB 3.42Å; F88-A104 VanDerWaalsContact CE2-CB 3.42Å; F88-A104 HydrophobicContact CG-CB 4.48Å; F88-A104 HydrophobicContact CZ-CB 3.59Å; F88-A104 PolarHBondContact N-O 2.71Å; F88-A104 PolarHBondContact O-N 2.91Å; V90-A104 HydrophobicContact CG1-CB 4.15Å; V90-A104 HydrophobicContact CG2-CB 3.83Å; A104-F118 HydrophobicContact CB-CE2 3.84Å; A104-F118 HydrophobicContact CB-CZ 4.04Å; A104-T119 CarbonylContact C-O 3.56Å; A104-T119 VanDerWaalsContact CA-O 3.22Å; A104-T119 WeakPolarHBondContact CA-O 3.4Å; A104-L120 HydrophobicContact CB-CD2 3.61Å
105T86.2Confident86.9Confident32 Ų3276 Ų7620%0.19637%0.369CS..EExtended strand (participates in β ladder)trans-129.7142.5165.881.40000109.1N87 F118 T119N87-T105 HydrophobicContact CB-CG2 4.48Å; N87-T105 WeakPolarHBondContact OD1-CG2 3.39Å; T105-F118 CarbonylContact O-C 3.54Å; T105-F118 VanDerWaalsContact O-CA 3.29Å; T105-F118 WeakPolarHBondContact O-CA 3.27Å; T105-F118 VanDerWaalsContact O-CD2 3.31Å; T105-F118 WeakPolarHBondContact O-CD2 3.37Å; T105-T119 PolarHBondContact N-O 3.08Å; T105-T119 PolarHBondContact O-N 3.32Å; T105-T119 PolarHBondContact OG1-OG1 3.39Å
106Y82.9Confident87.1Confident47 Ų4772.4 Ų72.418%0.18435%0.354CS..EExtended strand (participates in β ladder)trans-130.1115.9175.6-170.4-102.8000108.7H116 A117 F118Y106-H116 HydrophobicContact CD2-CB 4.38Å; Y106-H116 HydrophobicContact CE1-CB 3.92Å; Y106-H116 AromaticContact CE1-CE1 4Å; Y106-H116 AromaticContact CE1-CG 3.68Å; Y106-H116 AromaticContact CE1-ND1 3.29Å; Y106-H116 VanDerWaalsContact CE1-ND1 3.29Å; Y106-H116 WeakPolarHBondContact CE1-ND1 3.44Å; Y106-H116 HydrophobicContact CE2-CB 3.63Å; Y106-H116 AromaticContact CZ-CG 3.46Å; Y106-H116 VanDerWaalsContact CZ-CG 3.46Å; Y106-H116 AromaticContact CZ-ND1 3.63Å; Y106-H116 VanDerWaalsContact OH-CB 3.31Å; Y106-H116 WeakPolarHBondContact OH-CB 3.48Å; Y106-H116 PolarHBondContact OH-CD2 2.89Å; Y106-A117 WeakPolarHBondContact CA-O 3.35Å; Y106-F118 HydrophobicContact CD2-CB 3.97Å; Y106-F118 AromaticContact CD2-CD2 3.85Å; Y106-F118 HydrophobicContact CD2-CD2 3.85Å; Y106-F118 HydrophobicContact CD2-CG 4.34Å; Y106-F118 HydrophobicContact CE2-CB 4.46Å
107Q85.1Confident87.4Confident112 Ų11266.3 Ų66.352%0.52332%0.323SS..EExtended strand (participates in β ladder)trans-139.8132.6-171.5-178.8179.8-5.400111.6I109 H116 A117Q107-I109 PolarHBondContact O-N 3.2Å; Q107-H116 CarbonylContact O-C 3.47Å; Q107-H116 VanDerWaalsContact O-CA 3.24Å; Q107-H116 WeakPolarHBondContact O-CA 3.36Å; Q107-A117 PolarHBondContact N-O 3.26Å; Q107-A117 PolarHBondContact O-N 3.35Å
108L86.2Confident87.7Confident72 Ų7260.2 Ų60.238%0.37729%0.294SS..EExtended strand (participates in β ladder)trans-67.8117.1167.2-177.159.4000110.1D110 Q111 I115L108-D110 WeakPolarHBondContact CD1-O 3.44Å; L108-Q111 HydrophobicContact CD2-CG 3.9Å; L108-Q111 HydrophobicContact CG-CG 4.25Å; L108-I115 WeakPolarHBondContact CD1-O 3.39Å
109I90Very high87.9Confident89 Ų8955.5 Ų55.546%0.45628%0.276SS..EExtended strand (participates in β ladder)trans-106.8-22.7-178.259.5155.1000113.5F26 Q107 I115 A117F26-I109 HydrophobicContact CD1-CD1 3.52Å; F26-I109 HydrophobicContact CE1-CD1 3.46Å; F26-I109 VanDerWaalsContact CE1-CD1 3.46Å; Q107-I109 PolarHBondContact O-N 3.2Å; I109-I115 HydrophobicContact CD1-CG2 3.98Å; I109-I115 HydrophobicContact CG1-CB 4.23Å; I109-I115 HydrophobicContact CG1-CG2 3.93Å; I109-I115 WeakPolarHBondContact CG1-O 3.26Å; I109-I115 PolarHBondContact N-O 3.5Å; I109-A117 HydrophobicContact CD1-CB 4.32Å; I109-A117 HydrophobicContact CG1-CB 4.35Å; I109-A117 HydrophobicContact CG2-CB 3.61Å
110D90.3Very high88.1Confident44 Ų4452.7 Ų52.724%0.23526%0.259CS..EExtended strand (participates in β ladder)trans-133.7104.7176-171.7-31.6000108.3L108 D112 R113 G114 I115L108-D110 WeakPolarHBondContact CD1-O 3.44Å; D110-D112 PolarHBondContact OD1-N 2.95Å; D110-R113 HydrophobicContact CB-CB 4.43Å; D110-R113 PolarHBondContact OD1-N 2.91Å; D110-R113 WeakPolarHBondContact OD2-CD 3.4Å; D110-R113 IonicContact OD2-NE 3.97Å; D110-G114 WeakPolarHBondContact O-CA 3.38Å; D110-G114 PolarHBondContact O-N 3.39Å; D110-I115 HydrophobicContact CB-CB 3.83Å; D110-I115 HydrophobicContact CB-CD1 4.17Å; D110-I115 HydrophobicContact CB-CG1 4.1Å; D110-I115 PolarHBondContact N-O 3.22Å; D110-I115 PolarHBondContact O-N 2.9Å
111Q87.9Confident88.3Confident167 Ų16755.1 Ų55.178%0.7827%0.27SS*.THydrogen-bonded Turntrans-71.6-32.4-178.6-67-177.6-3.500112.3L108 R113L108-Q111 HydrophobicContact CD2-CG 3.9Å; L108-Q111 HydrophobicContact CG-CG 4.25Å; Q111-R113 VanDerWaalsContact C-N 3.34Å
112D89.6Confident88.4Confident164 Ų16457.6 Ų57.688%0.87728%0.282SS*.THydrogen-bonded Turntrans-72.8-33.2-176.1-66.6-30000111.2D110D110-D112 PolarHBondContact OD1-N 2.95Å
113R89.4Confident88.4Confident192 Ų19257.7 Ų57.773%0.72528%0.283SS*.THydrogen-bonded Turntrans-103.6-6.1-179.3-62.2-176.5-177.1172.62.2114.5D110 Q111 I115D110-R113 HydrophobicContact CB-CB 4.43Å; D110-R113 PolarHBondContact OD1-N 2.91Å; D110-R113 WeakPolarHBondContact OD2-CD 3.4Å; D110-R113 IonicContact OD2-NE 3.97Å; Q111-R113 VanDerWaalsContact C-N 3.34Å; R113-I115 HydrophobicContact CB-CD1 3.89Å; R113-I115 HydrophobicContact CB-CG1 3.79Å
114G86.6Confident88.4Confident3 Ų356.6 Ų56.63%0.03128%0.277CS..THydrogen-bonded Turntrans65.940.2-176.500000112.9D28 D29 D110D28-G114 CarbonylContact C-O 3.28Å; D28-G114 VanDerWaalsContact C-O 3.28Å; D28-G114 VanDerWaalsContact CA-O 3.3Å; D28-G114 WeakPolarHBondContact CA-O 3.32Å; D29-G114 PolarHBondContact N-O 3.43Å; D29-G114 WeakPolarHBondContact OD2-CA 3.26Å; D110-G114 WeakPolarHBondContact O-CA 3.38Å; D110-G114 PolarHBondContact O-N 3.39Å
115I88.8Confident88.5Confident23 Ų2360.3 Ų60.312%0.11830%0.303CS..EExtended strand (participates in β ladder)trans-95.8122.6-177.9-54.7176.2000110.3F26 A27 I34 L108 I109 D110 R113F26-I115 HydrophobicContact CB-CG2 4.17Å; F26-I115 HydrophobicContact CD1-CG2 4.48Å; A27-I115 CarbonylContact O-C 3.4Å; A27-I115 WeakPolarHBondContact O-CA 3.39Å; I34-I115 HydrophobicContact CD1-CB 4.31Å; I34-I115 HydrophobicContact CD1-CD1 3.84Å; I34-I115 HydrophobicContact CD1-CG1 3.62Å; I34-I115 HydrophobicContact CD1-CG2 3.93Å; L108-I115 WeakPolarHBondContact CD1-O 3.39Å; I109-I115 HydrophobicContact CD1-CG2 3.98Å; I109-I115 HydrophobicContact CG1-CB 4.23Å; I109-I115 HydrophobicContact CG1-CG2 3.93Å; I109-I115 WeakPolarHBondContact CG1-O 3.26Å; I109-I115 PolarHBondContact N-O 3.5Å; D110-I115 HydrophobicContact CB-CB 3.83Å; D110-I115 HydrophobicContact CB-CD1 4.17Å; D110-I115 HydrophobicContact CB-CG1 4.1Å; D110-I115 PolarHBondContact N-O 3.22Å; D110-I115 PolarHBondContact O-N 2.9Å; R113-I115 HydrophobicContact CB-CD1 3.89Å; R113-I115 HydrophobicContact CB-CG1 3.79Å
116H86.8Confident88.5Confident28 Ų2863.2 Ų63.213%0.1331%0.314CS..EExtended strand (participates in β ladder)trans-102.8141.9173.8-58.3-102.2000110.6F26 A27 D29 Y106 Q107F26-H116 CarbonylContact C-O 3.57Å; F26-H116 VanDerWaalsContact CA-O 3.29Å; F26-H116 WeakPolarHBondContact CA-O 3.32Å; A27-H116 PolarHBondContact N-O 3.42Å; A27-H116 PolarHBondContact O-N 3.36Å; D29-H116 IonicContact OD1-CD2 2.73Å; D29-H116 IonicContact OD1-CE1 2.95Å; D29-H116 IonicContact OD1-NE2 3.05Å; D29-H116 PolarHBondContact OD1-NE2 2.93Å; Y106-H116 HydrophobicContact CD2-CB 4.38Å; Y106-H116 HydrophobicContact CE1-CB 3.92Å; Y106-H116 AromaticContact CE1-CE1 4Å; Y106-H116 AromaticContact CE1-CG 3.68Å; Y106-H116 AromaticContact CE1-ND1 3.29Å; Y106-H116 VanDerWaalsContact CE1-ND1 3.29Å; Y106-H116 WeakPolarHBondContact CE1-ND1 3.44Å; Y106-H116 HydrophobicContact CE2-CB 3.63Å; Y106-H116 AromaticContact CZ-CG 3.46Å; Y106-H116 VanDerWaalsContact CZ-CG 3.46Å; Y106-H116 AromaticContact CZ-ND1 3.63Å; Y106-H116 VanDerWaalsContact OH-CB 3.31Å; Y106-H116 WeakPolarHBondContact OH-CB 3.48Å; Y106-H116 PolarHBondContact OH-CD2 2.89Å; Q107-H116 CarbonylContact O-C 3.47Å; Q107-H116 VanDerWaalsContact O-CA 3.24Å; Q107-H116 WeakPolarHBondContact O-CA 3.36Å
117A89.2Confident88.7Confident11 Ų1162.8 Ų62.89%0.09132%0.315CS..EExtended strand (participates in β ladder)trans-100.4123.716800000109V25 F26 Y106 Q107 I109V25-A117 WeakPolarHBondContact O-CA 2.96Å; F26-A117 HydrophobicContact CD1-CB 3.85Å; F26-A117 HydrophobicContact CE1-CB 3.71Å; Y106-A117 WeakPolarHBondContact CA-O 3.35Å; Q107-A117 PolarHBondContact N-O 3.26Å; Q107-A117 PolarHBondContact O-N 3.35Å; I109-A117 HydrophobicContact CD1-CB 4.32Å; I109-A117 HydrophobicContact CG1-CB 4.35Å; I109-A117 HydrophobicContact CG2-CB 3.61Å
118F86.9Confident88.8Confident1 Ų163.3 Ų63.30%0.00432%0.317CS..EExtended strand (participates in β ladder)trans-106.4118.9169.2-175.3-115000108.9V25 I57 F77 F88 A104 T105 Y106 L120V25-F118 HydrophobicContact CB-CB 4.31Å; V25-F118 PolarHBondContact N-O 2.94Å; V25-F118 PolarHBondContact O-N 2.97Å; I57-F118 HydrophobicContact CD1-CD1 3.48Å; I57-F118 VanDerWaalsContact CD1-CD1 3.48Å; I57-F118 HydrophobicContact CD1-CD2 4.28Å; I57-F118 HydrophobicContact CD1-CE1 3.41Å; I57-F118 VanDerWaalsContact CD1-CE1 3.41Å; I57-F118 HydrophobicContact CD1-CE2 4.21Å; I57-F118 HydrophobicContact CD1-CG 3.91Å; I57-F118 HydrophobicContact CD1-CZ 3.79Å; I57-F118 HydrophobicContact CG1-CD1 4.34Å; I57-F118 HydrophobicContact CG1-CE1 3.99Å; I57-F118 HydrophobicContact CG2-CE1 4.36Å; I57-F118 HydrophobicContact CG2-CZ 4.16Å; F77-F118 HydrophobicContact CE2-CE2 4.07Å; F77-F118 HydrophobicContact CZ-CE2 4.04Å; F77-F118 HydrophobicContact CZ-CZ 4.35Å; F88-F118 HydrophobicContact CZ-CE2 4.21Å; A104-F118 HydrophobicContact CB-CE2 3.84Å; A104-F118 HydrophobicContact CB-CZ 4.04Å; T105-F118 CarbonylContact O-C 3.54Å; T105-F118 VanDerWaalsContact O-CA 3.29Å; T105-F118 WeakPolarHBondContact O-CA 3.27Å; T105-F118 VanDerWaalsContact O-CD2 3.31Å; T105-F118 WeakPolarHBondContact O-CD2 3.37Å; Y106-F118 HydrophobicContact CD2-CB 3.97Å; Y106-F118 AromaticContact CD2-CD2 3.85Å; Y106-F118 HydrophobicContact CD2-CD2 3.85Å; Y106-F118 HydrophobicContact CD2-CG 4.34Å; Y106-F118 HydrophobicContact CE2-CB 4.46Å; F118-L120 HydrophobicContact CD1-CG 4.26Å; F118-L120 HydrophobicContact CE1-CD1 3.82Å; F118-L120 HydrophobicContact CE1-CD2 3.6Å; F118-L120 HydrophobicContact CE1-CG 3.61Å; F118-L120 HydrophobicContact CE2-CD2 4.36Å; F118-L120 HydrophobicContact CZ-CD2 3.49Å; F118-L120 VanDerWaalsContact CZ-CD2 3.49Å; F118-L120 HydrophobicContact CZ-CG 4.06Å
119T90.2Very high88.8Confident28 Ų2865.9 Ų65.917%0.17233%0.327CS..EExtended strand (participates in β ladder)trans-116140.1177.669.60000110.7K23 I24 A104 T105K23-T119 CarbonylContact O-C 3.6Å; K23-T119 VanDerWaalsContact O-CA 3.27Å; K23-T119 WeakPolarHBondContact O-CA 3.35Å; I24-T119 HydrophobicContact CG1-CG2 4.2Å; I24-T119 HydrophobicContact CG2-CG2 4.42Å; A104-T119 CarbonylContact C-O 3.56Å; A104-T119 VanDerWaalsContact CA-O 3.22Å; A104-T119 WeakPolarHBondContact CA-O 3.4Å; T105-T119 PolarHBondContact N-O 3.08Å; T105-T119 PolarHBondContact O-N 3.32Å; T105-T119 PolarHBondContact OG1-OG1 3.39Å
120L90.2Very high88.7Confident4 Ų468.1 Ų68.12%0.02134%0.336CS..EExtended strand (participates in β ladder)trans-123.2123.1172.2-57167.4000109.9K23 I43 V90 M92 F102 T103 A104 F118K23-L120 HydrophobicContact CB-CB 4.09Å; K23-L120 PolarHBondContact N-O 3.23Å; K23-L120 PolarHBondContact O-N 3.33Å; I43-L120 HydrophobicContact CD1-CD1 3.78Å; V90-L120 HydrophobicContact CG2-CD2 3.73Å; M92-L120 HydrophobicContact CG-CD1 4.15Å; F102-L120 HydrophobicContact CB-CB 4.05Å; F102-L120 HydrophobicContact CB-CD2 3.98Å; F102-L120 HydrophobicContact CD1-CB 3.77Å; F102-L120 HydrophobicContact CG-CB 4.08Å; T103-L120 WeakPolarHBondContact O-CA 3.38Å; A104-L120 HydrophobicContact CB-CD2 3.61Å; F118-L120 HydrophobicContact CD1-CG 4.26Å; F118-L120 HydrophobicContact CE1-CD1 3.82Å; F118-L120 HydrophobicContact CE1-CD2 3.6Å; F118-L120 HydrophobicContact CE1-CG 3.61Å; F118-L120 HydrophobicContact CE2-CD2 4.36Å; F118-L120 HydrophobicContact CZ-CD2 3.49Å; F118-L120 VanDerWaalsContact CZ-CD2 3.49Å; F118-L120 HydrophobicContact CZ-CG 4.06Å
121Q91.8Very high88.3Confident80 Ų8071.3 Ų71.337%0.37435%0.349SS..EExtended strand (participates in β ladder)trans-107.4122.1172.5-172.9179.717.600109.7F102 T103 V123F102-Q121 CarbonylContact C-O 3.45Å; F102-Q121 WeakPolarHBondContact CA-O 3.24Å; T103-Q121 PolarHBondContact N-O 2.87Å; T103-Q121 PolarHBondContact O-N 3.39Å; Q121-V123 PolarHBondContact O-N 2.75Å
122N90.7Very high87.9Confident70 Ų7069.5 Ų69.537%0.37434%0.339SS..EExtended strand (participates in β ladder)trans-67.7122178-177.1-13000110.3M100 F102 S124M100-N122 WeakPolarHBondContact CE-ND2 3.45Å; F102-N122 HydrophobicContact CD1-CB 4Å; F102-N122 HydrophobicContact CE1-CB 3.67Å; F102-N122 HydrophobicContact CZ-CB 4.47Å; N122-S124 VanDerWaalsContact OD1-CB 3.24Å; N122-S124 WeakPolarHBondContact OD1-CB 3.37Å; N122-S124 PolarHBondContact OD1-N 3.08Å; N122-S124 PolarHBondContact OD1-OG 3.41Å
123V90.9Very high87.6Confident4 Ų465.2 Ų65.22%0.02432%0.315CS..  trans-111.112.3-178.6-62.20000113.2P101 T103 Q121 S125 Q126 I127P101-V123 HydrophobicContact CB-CG2 3.88Å; P101-V123 HydrophobicContact CG-CG2 4.23Å; P101-V123 PolarHBondContact O-N 3.34Å; P101-V123 VanDerWaalsContact O-N 3.14Å; T103-V123 VanDerWaalsContact OG1-CG1 3.31Å; T103-V123 WeakPolarHBondContact OG1-CG1 3.28Å; Q121-V123 PolarHBondContact O-N 2.75Å; V123-S125 PolarHBondContact O-N 2.93Å; V123-Q126 WeakPolarHBondContact O-CB 3.28Å; V123-Q126 PolarHBondContact O-N 2.95Å; V123-Q126 VanDerWaalsContact O-N 3.12Å; V123-I127 HydrophobicContact CG2-CD1 3.83Å; V123-I127 HydrophobicContact CG2-CG1 4.44Å; V123-I127 PolarHBondContact O-N 2.82Å
124S89.3Confident87.1Confident18 Ų1861 Ų6113%0.12630%0.304CS..Hα-helixtrans-54.8-48-176.9-53.80000112.3M100 P101 N122 Q126 I127 E128M100-S124 VanDerWaalsContact CE-OG 3.28Å; M100-S124 WeakPolarHBondContact CE-OG 3.27Å; P101-S124 WeakPolarHBondContact CD-OG 3.25Å; N122-S124 VanDerWaalsContact OD1-CB 3.24Å; N122-S124 WeakPolarHBondContact OD1-CB 3.37Å; N122-S124 PolarHBondContact OD1-N 3.08Å; N122-S124 PolarHBondContact OD1-OG 3.41Å; S124-Q126 VanDerWaalsContact C-N 3.29Å; S124-Q126 PolarHBondContact O-N 3.45Å; S124-I127 PolarHBondContact O-N 3.47Å; S124-E128 WeakPolarHBondContact O-CB 3.41Å; S124-E128 WeakPolarHBondContact O-CG 3.29Å; S124-E128 PolarHBondContact O-N 3.1Å
125S89.1Confident86.6Confident77 Ų7766.4 Ų66.454%0.53833%0.328SS..Hα-helixtrans-66.1-31.6-17958.50000113.2V123 Q129V123-S125 PolarHBondContact O-N 2.93Å; S125-Q129 WeakPolarHBondContact O-CB 3.49Å; S125-Q129 PolarHBondContact O-N 3.17Å
126Q87.8Confident85.9Confident93 Ų9369.5 Ų69.544%0.43534%0.342SS..Hα-helixtrans-72.4-43.1178.1-64.6165.8-17.500110.5V123 S124 Q129 Q130V123-Q126 WeakPolarHBondContact O-CB 3.28Å; V123-Q126 PolarHBondContact O-N 2.95Å; V123-Q126 VanDerWaalsContact O-N 3.12Å; S124-Q126 VanDerWaalsContact C-N 3.29Å; S124-Q126 PolarHBondContact O-N 3.45Å; Q126-Q129 PolarHBondContact O-N 3.23Å; Q126-Q130 WeakPolarHBondContact O-CB 3.47Å; Q126-Q130 VanDerWaalsContact O-CG 3.3Å; Q126-Q130 WeakPolarHBondContact O-CG 3.31Å; Q126-Q130 PolarHBondContact O-N 2.81Å
127I87Confident85.5Confident39 Ų3976.4 Ų76.420%0.237%0.367CS..Hα-helixtrans-63.2-50.6175.1-69.1172.5000110.1P101 V123 S124 Q129 Q130 E131P101-I127 HydrophobicContact CB-CD1 3.66Å; P101-I127 HydrophobicContact CG-CD1 3.64Å; V123-I127 HydrophobicContact CG2-CD1 3.83Å; V123-I127 HydrophobicContact CG2-CG1 4.44Å; V123-I127 PolarHBondContact O-N 2.82Å; S124-I127 PolarHBondContact O-N 3.47Å; I127-Q129 VanDerWaalsContact C-N 3.29Å; I127-Q129 PolarHBondContact O-N 2.81Å; I127-Q130 PolarHBondContact O-N 2.63Å; I127-Q130 VanDerWaalsContact O-N 3.07Å; I127-E131 HydrophobicContact CG2-CG 4.43Å; I127-E131 WeakPolarHBondContact O-CG 3.29Å; I127-E131 PolarHBondContact O-N 2.78Å
128E85.3Confident84.8Confident122 Ų12276.6 Ų76.657%0.5737%0.367SS*.Hα-helixtrans-57-41.4176.8-74.1174-169.200112.2S124 K132S124-E128 WeakPolarHBondContact O-CB 3.41Å; S124-E128 WeakPolarHBondContact O-CG 3.29Å; S124-E128 PolarHBondContact O-N 3.1Å; E128-K132 WeakPolarHBondContact O-CB 3.21Å; E128-K132 PolarHBondContact O-N 2.88Å
129Q86.9Confident84Confident126 Ų12682.4 Ų82.459%0.58940%0.395SS*.Hα-helixtrans-67.6-39.8177-175.1176.6-2.600111.9S125 Q126 I127 L133S125-Q129 WeakPolarHBondContact O-CB 3.49Å; S125-Q129 PolarHBondContact O-N 3.17Å; Q126-Q129 PolarHBondContact O-N 3.23Å; I127-Q129 VanDerWaalsContact C-N 3.29Å; I127-Q129 PolarHBondContact O-N 2.81Å; Q129-L133 HydrophobicContact CG-CD1 4.26Å; Q129-L133 WeakPolarHBondContact O-CB 3.36Å; Q129-L133 VanDerWaalsContact O-CG 3.29Å; Q129-L133 WeakPolarHBondContact O-CG 3.11Å; Q129-L133 PolarHBondContact O-N 2.9Å
130Q87.1Confident82.9Confident137 Ų13790.1 Ų90.164%0.6442%0.421SS*.Hα-helixtrans-65.2-44.1176-77.8-176.14.500111.7Q126 I127 L133 H134Q126-Q130 WeakPolarHBondContact O-CB 3.47Å; Q126-Q130 VanDerWaalsContact O-CG 3.3Å; Q126-Q130 WeakPolarHBondContact O-CG 3.31Å; Q126-Q130 PolarHBondContact O-N 2.81Å; I127-Q130 PolarHBondContact O-N 2.63Å; I127-Q130 VanDerWaalsContact O-N 3.07Å; Q130-L133 PolarHBondContact O-N 3.34Å; Q130-H134 WeakPolarHBondContact O-CB 3.46Å; Q130-H134 PolarHBondContact O-N 3.47Å
131E82.6Confident82.1Confident111 Ų11194.2 Ų94.252%0.51944%0.439SS..Hα-helixtrans-59.2-47.9174.7-73.7176.3172.600111.1I127 L133 H134 Q135I127-E131 HydrophobicContact CG2-CG 4.43Å; I127-E131 WeakPolarHBondContact O-CG 3.29Å; I127-E131 PolarHBondContact O-N 2.78Å; E131-L133 PolarHBondContact O-N 2.92Å; E131-H134 WeakPolarHBondContact O-CB 3.28Å; E131-H134 PolarHBondContact O-N 2.84Å; E131-H134 VanDerWaalsContact O-N 3.15Å; E131-Q135 WeakPolarHBondContact O-CB 3.33Å; E131-Q135 WeakPolarHBondContact O-CG 3.32Å; E131-Q135 PolarHBondContact O-N 3.09Å
132K79.7Confident81.2Confident128 Ų12893.1 Ų93.156%0.55744%0.437SS*.Hα-helixtrans-61.3-42.8177.2-174.3176-176.9174.40112.5E128 H134 Q136E128-K132 WeakPolarHBondContact O-CB 3.21Å; E128-K132 PolarHBondContact O-N 2.88Å; K132-H134 VanDerWaalsContact C-N 3.33Å; K132-Q136 WeakPolarHBondContact O-CB 3.48Å; K132-Q136 VanDerWaalsContact O-CG 3.3Å; K132-Q136 WeakPolarHBondContact O-CG 3.42Å; K132-Q136 PolarHBondContact O-N 2.93Å
133L83.5Confident79.8Confident74 Ų7493.8 Ų93.839%0.38744%0.44SS..Hα-helixtrans-65.8-37.6175.6-75.7173.3000111.7Q129 Q130 E131 R137Q129-L133 HydrophobicContact CG-CD1 4.26Å; Q129-L133 WeakPolarHBondContact O-CB 3.36Å; Q129-L133 VanDerWaalsContact O-CG 3.29Å; Q129-L133 WeakPolarHBondContact O-CG 3.11Å; Q129-L133 PolarHBondContact O-N 2.9Å; Q130-L133 PolarHBondContact O-N 3.34Å; E131-L133 PolarHBondContact O-N 2.92Å; L133-R137 WeakPolarHBondContact O-CB 3.37Å; L133-R137 VanDerWaalsContact O-CG 3.25Å; L133-R137 WeakPolarHBondContact O-CG 3.48Å; L133-R137 PolarHBondContact O-N 2.88Å
134H79.2Confident78.5Confident104 Ų10496.5 Ų96.548%0.48146%0.459SS..Hα-helixtrans-62.3-54.1174.4-173.783.5000110.3Q130 E131 K132 Q136 R137 M138Q130-H134 WeakPolarHBondContact O-CB 3.46Å; Q130-H134 PolarHBondContact O-N 3.47Å; E131-H134 WeakPolarHBondContact O-CB 3.28Å; E131-H134 PolarHBondContact O-N 2.84Å; E131-H134 VanDerWaalsContact O-N 3.15Å; K132-H134 VanDerWaalsContact C-N 3.33Å; H134-Q136 VanDerWaalsContact C-N 3.34Å; H134-Q136 PolarHBondContact O-N 3.06Å; H134-R137 WeakPolarHBondContact O-CB 3.28Å; H134-R137 PolarHBondContact O-N 2.94Å; H134-R137 VanDerWaalsContact O-N 3.08Å; H134-M138 VanDerWaalsContact O-CG 3.3Å; H134-M138 WeakPolarHBondContact O-CG 3.06Å; H134-M138 PolarHBondContact O-N 3.43Å
135Q76.6Confident77.6Confident117 Ų11797.8 Ų97.855%0.54747%0.471SS..Hα-helixtrans-52.5-48.1175.1-73.4174.5-9.800112E131 R137 M138 M139E131-Q135 WeakPolarHBondContact O-CB 3.33Å; E131-Q135 WeakPolarHBondContact O-CG 3.32Å; E131-Q135 PolarHBondContact O-N 3.09Å; Q135-R137 PolarHBondContact O-N 3.29Å; Q135-M138 PolarHBondContact O-N 2.82Å; Q135-M139 WeakPolarHBondContact O-CB 3.35Å; Q135-M139 PolarHBondContact O-N 2.83Å
136Q73.5Confident76.7Confident87 Ų8799 Ų9941%0.40747%0.468SS..Hα-helixtrans-62.2-41.4177.6-76.1-178.7-6.700113K132 H134 M138 R140K132-Q136 WeakPolarHBondContact O-CB 3.48Å; K132-Q136 VanDerWaalsContact O-CG 3.3Å; K132-Q136 WeakPolarHBondContact O-CG 3.42Å; K132-Q136 PolarHBondContact O-N 2.93Å; H134-Q136 VanDerWaalsContact C-N 3.34Å; H134-Q136 PolarHBondContact O-N 3.06Å; Q136-M138 VanDerWaalsContact C-N 3.35Å; Q136-R140 WeakPolarHBondContact O-CB 3.34Å; Q136-R140 VanDerWaalsContact O-CG 3.32Å; Q136-R140 WeakPolarHBondContact O-CG 3.37Å; Q136-R140 PolarHBondContact O-N 3.1Å
137R78.2Confident75.5Confident173 Ų17398.9 Ų98.965%0.65347%0.468SS*.Hα-helixtrans-64.4-42.5176.3-77.5173.7-178.8-179.32.3110.9L133 H134 Q135 R140 K141L133-R137 WeakPolarHBondContact O-CB 3.37Å; L133-R137 VanDerWaalsContact O-CG 3.25Å; L133-R137 WeakPolarHBondContact O-CG 3.48Å; L133-R137 PolarHBondContact O-N 2.88Å; H134-R137 WeakPolarHBondContact O-CB 3.28Å; H134-R137 PolarHBondContact O-N 2.94Å; H134-R137 VanDerWaalsContact O-N 3.08Å; Q135-R137 PolarHBondContact O-N 3.29Å; R137-R140 PolarHBondContact O-N 3.46Å; R137-K141 WeakPolarHBondContact O-CB 3.25Å; R137-K141 WeakPolarHBondContact O-CG 3.43Å; R137-K141 PolarHBondContact O-N 2.9Å
138M74.9Confident74.8Confident16 Ų16101.4 Ų101.48%0.07948%0.481CS..Hα-helixtrans-68.4-44.5179.5-62.4-54.6-83.800111.3H134 Q135 Q136 R140 K141 T142 L310 Y313H134-M138 VanDerWaalsContact O-CG 3.3Å; H134-M138 WeakPolarHBondContact O-CG 3.06Å; H134-M138 PolarHBondContact O-N 3.43Å; Q135-M138 PolarHBondContact O-N 2.82Å; Q136-M138 VanDerWaalsContact C-N 3.35Å; M138-R140 PolarHBondContact O-N 3.46Å; M138-K141 CarbonylContact O-C 3.54Å; M138-K141 WeakPolarHBondContact O-CB 3.36Å; M138-K141 PolarHBondContact O-N 2.88Å; M138-K141 VanDerWaalsContact O-N 3.08Å; M138-K141 HydrophobicContact SD-CD 4.25Å; M138-T142 PolarHBondContact O-N 2.91Å; M138-T142 PolarHBondContact O-OG1 3.02Å; M138-T142 VanDerWaalsContact O-OG1 3.12Å; M138-L310 HydrophobicContact CE-CD2 4.25Å; M138-Y313 HydrophobicContact CB-CD1 3.98Å; M138-Y313 HydrophobicContact CB-CE1 3.37Å; M138-Y313 HydrophobicContact CB-CE2 3.99Å; M138-Y313 HydrophobicContact CE-CD1 3.57Å; M138-Y313 HydrophobicContact CE-CD2 3.52Å; M138-Y313 HydrophobicContact CE-CE1 4.2Å; M138-Y313 HydrophobicContact CE-CE2 4.17Å; M138-Y313 HydrophobicContact CE-CG 3.17Å; M138-Y313 HydrophobicContact CG-CD1 4.46Å; M138-Y313 HydrophobicContact CG-CD2 4.29Å; M138-Y313 HydrophobicContact CG-CE1 4.16Å; M138-Y313 HydrophobicContact CG-CE2 4Å
139M69.1Low74Confident122 Ų12298.9 Ų98.960%0.60147%0.47SS*.Hα-helixtrans-56.1-46.8173-173.4-174.2-171.200112.1Q135 K141 T142 I143Q135-M139 WeakPolarHBondContact O-CB 3.35Å; Q135-M139 PolarHBondContact O-N 2.83Å; M139-K141 VanDerWaalsContact C-N 3.3Å; M139-K141 PolarHBondContact O-N 3.32Å; M139-T142 PolarHBondContact O-N 3.48Å; M139-I143 HydrophobicContact CE-CD1 4.21Å; M139-I143 HydrophobicContact CG-CD1 4.03Å; M139-I143 WeakPolarHBondContact O-CG1 3.34Å; M139-I143 PolarHBondContact O-N 3.43Å
140R68.3Low73.2Confident190 Ų190100 Ų10072%0.71747%0.469SS*.Hα-helixtrans-60.4-40.9176-77.7179.9-177.1-1662.2112.2Q136 R137 M138 S144Q136-R140 WeakPolarHBondContact O-CB 3.34Å; Q136-R140 VanDerWaalsContact O-CG 3.32Å; Q136-R140 WeakPolarHBondContact O-CG 3.37Å; Q136-R140 PolarHBondContact O-N 3.1Å; R137-R140 PolarHBondContact O-N 3.46Å; M138-R140 PolarHBondContact O-N 3.46Å; R140-S144 VanDerWaalsContact O-CB 3.25Å; R140-S144 WeakPolarHBondContact O-CB 3.4Å; R140-S144 PolarHBondContact O-N 3.02Å
141K72.8Confident72.3Confident91 Ų9199 Ų9940%0.39646%0.462SS..Hα-helixtrans-66.3-41.3176.5-79.5-175.4175.3-176.60111.5R137 M138 M139 S144 A145 S308 L310R137-K141 WeakPolarHBondContact O-CB 3.25Å; R137-K141 WeakPolarHBondContact O-CG 3.43Å; R137-K141 PolarHBondContact O-N 2.9Å; M138-K141 CarbonylContact O-C 3.54Å; M138-K141 WeakPolarHBondContact O-CB 3.36Å; M138-K141 PolarHBondContact O-N 2.88Å; M138-K141 VanDerWaalsContact O-N 3.08Å; M138-K141 HydrophobicContact SD-CD 4.25Å; M139-K141 VanDerWaalsContact C-N 3.3Å; M139-K141 PolarHBondContact O-N 3.32Å; K141-S144 PolarHBondContact O-N 3.48Å; K141-A145 WeakPolarHBondContact O-CB 3.38Å; K141-A145 PolarHBondContact O-N 3.4Å; K141-S308 PolarHBondContact NZ-O 2.86Å; K141-L310 HydrophobicContact CB-CD1 3.68Å; K141-L310 HydrophobicContact CB-CD2 3.27Å; K141-L310 HydrophobicContact CB-CG 3.97Å; K141-L310 HydrophobicContact CD-CD1 4.23Å; K141-L310 HydrophobicContact CD-CD2 3.73Å; K141-L310 HydrophobicContact CD-CG 4.07Å; K141-L310 HydrophobicContact CG-CD1 4.35Å; K141-L310 HydrophobicContact CG-CD2 4.17Å
142T72Confident72Confident56 Ų5697.1 Ų97.134%0.34445%0.45SS..Hα-helixtrans-61.7-47.9175.5-59.70000111.5M138 M139 S144 A145 Q146M138-T142 PolarHBondContact O-N 2.91Å; M138-T142 PolarHBondContact O-OG1 3.02Å; M138-T142 VanDerWaalsContact O-OG1 3.12Å; M139-T142 PolarHBondContact O-N 3.48Å; T142-S144 PolarHBondContact O-N 2.86Å; T142-A145 PolarHBondContact O-N 3.01Å; T142-Q146 PolarHBondContact O-N 3.28Å
143I63Low71.7Confident85 Ų8592.4 Ų92.444%0.43643%0.431SS..Hα-helixtrans-60.5-46.2176.2-67.4168000110.4M139 A145 Q146 E147M139-I143 HydrophobicContact CE-CD1 4.21Å; M139-I143 HydrophobicContact CG-CD1 4.03Å; M139-I143 WeakPolarHBondContact O-CG1 3.34Å; M139-I143 PolarHBondContact O-N 3.43Å; I143-A145 VanDerWaalsContact C-N 3.34Å; I143-A145 PolarHBondContact O-N 3.11Å; I143-Q146 PolarHBondContact O-N 2.91Å; I143-E147 HydrophobicContact CG2-CG 4.43Å; I143-E147 WeakPolarHBondContact O-CB 3.44Å; I143-E147 WeakPolarHBondContact O-CG 3.45Å; I143-E147 PolarHBondContact O-N 3.47Å
144S62.9Low71Confident60 Ų6092.4 Ų92.442%0.4244%0.437SS..Hα-helixtrans-61.9-40.5177.9-175.50000112.2R140 K141 T142 E147 N148R140-S144 VanDerWaalsContact O-CB 3.25Å; R140-S144 WeakPolarHBondContact O-CB 3.4Å; R140-S144 PolarHBondContact O-N 3.02Å; K141-S144 PolarHBondContact O-N 3.48Å; T142-S144 PolarHBondContact O-N 2.86Å; S144-E147 PolarHBondContact O-N 2.92Å; S144-N148 WeakPolarHBondContact O-CB 3.4Å; S144-N148 PolarHBondContact O-N 3.05Å; S144-N148 PolarHBondContact O-ND2 2.93Å; S144-N148 VanDerWaalsContact O-ND2 3.13Å
145A69.8Low70.6Confident46 Ų4695.6 Ų95.638%0.3845%0.445SS..Hα-helixtrans-62.7-44.9174.800000111.4K141 T142 I143 E147 N148 E149 L310K141-A145 WeakPolarHBondContact O-CB 3.38Å; K141-A145 PolarHBondContact O-N 3.4Å; T142-A145 PolarHBondContact O-N 3.01Å; I143-A145 VanDerWaalsContact C-N 3.34Å; I143-A145 PolarHBondContact O-N 3.11Å; A145-E147 PolarHBondContact O-N 2.8Å; A145-N148 PolarHBondContact O-N 3.43Å; A145-E149 VanDerWaalsContact O-CB 3.3Å; A145-E149 WeakPolarHBondContact O-CB 3.46Å; A145-E149 PolarHBondContact O-N 3.18Å; A145-L310 HydrophobicContact CB-CD1 4.31Å
146Q70.1Confident70.4Confident102 Ų10293.1 Ų93.148%0.47743%0.433SS..Hα-helixtrans-63.6-40.2176.7-170.3-179.82.700112.4T142 I143 E149 R150T142-Q146 PolarHBondContact O-N 3.28Å; I143-Q146 PolarHBondContact O-N 2.91Å; Q146-E149 PolarHBondContact O-N 3.28Å; Q146-R150 WeakPolarHBondContact O-CG 3.37Å; Q146-R150 PolarHBondContact O-N 3.45Å
147E63Low70.3Confident90 Ų9092.5 Ų92.542%0.42143%0.432SS..Hα-helixtrans-67.7-41.7176.4-78.5-62.3129.200112.5I143 S144 A145 E149 R150 K151I143-E147 HydrophobicContact CG2-CG 4.43Å; I143-E147 WeakPolarHBondContact O-CB 3.44Å; I143-E147 WeakPolarHBondContact O-CG 3.45Å; I143-E147 PolarHBondContact O-N 3.47Å; S144-E147 PolarHBondContact O-N 2.92Å; A145-E147 PolarHBondContact O-N 2.8Å; E147-E149 VanDerWaalsContact C-N 3.28Å; E147-E149 PolarHBondContact O-N 2.86Å; E147-R150 PolarHBondContact O-N 3.42Å; E147-K151 WeakPolarHBondContact O-CB 3.47Å; E147-K151 WeakPolarHBondContact O-CG 3.19Å; E147-K151 PolarHBondContact O-N 3.23Å
148N71.6Confident69.9Low92 Ų9289 Ų8949%0.49242%0.423SS..Hα-helixtrans-64.1-37.6174.7-71.9-28.6000111.1S144 A145 K151 R152S144-N148 WeakPolarHBondContact O-CB 3.4Å; S144-N148 PolarHBondContact O-N 3.05Å; S144-N148 PolarHBondContact O-ND2 2.93Å; S144-N148 VanDerWaalsContact O-ND2 3.13Å; A145-N148 PolarHBondContact O-N 3.43Å; N148-K151 PolarHBondContact O-N 3.4Å; N148-R152 PolarHBondContact O-N 3.49Å
149E69.9Low69.8Low70 Ų7093.1 Ų93.133%0.32745%0.445SS..Hα-helixtrans-67.7-45.3176.5-177.259.8-17400111.9A145 Q146 E147 K151 R152 I153A145-E149 VanDerWaalsContact O-CB 3.3Å; A145-E149 WeakPolarHBondContact O-CB 3.46Å; A145-E149 PolarHBondContact O-N 3.18Å; Q146-E149 PolarHBondContact O-N 3.28Å; E147-E149 VanDerWaalsContact C-N 3.28Å; E147-E149 PolarHBondContact O-N 2.86Å; E149-K151 VanDerWaalsContact C-N 3.26Å; E149-K151 PolarHBondContact O-N 2.97Å; E149-R152 WeakPolarHBondContact O-CB 3.35Å; E149-R152 PolarHBondContact O-N 2.88Å; E149-R152 VanDerWaalsContact O-N 3.1Å; E149-R152 IonicContact OE1-CZ 3.07Å; E149-R152 IonicContact OE1-NE 2.68Å; E149-R152 PolarHBondContact OE1-NE 2.94Å; E149-R152 IonicContact OE1-NH2 2.8Å; E149-R152 PolarHBondContact OE1-NH2 3.3Å; E149-R152 IonicContact OE2-CZ 2.64Å; E149-R152 IonicContact OE2-NE 3.6Å; E149-R152 PolarHBondContact OE2-NE 3.48Å; E149-R152 IonicContact OE2-NH2 3.5Å; E149-I153 HydrophobicContact CG-CD1 3.95Å; E149-I153 WeakPolarHBondContact O-CG1 3.2Å; E149-I153 PolarHBondContact O-N 2.84Å
150R70.2Confident70Confident150 Ų15089.1 Ų89.157%0.56643%0.43SS*.Hα-helixtrans-56.6-41.2171.9-74.8175.6-175.9-99.32.5111.8Q146 E147 S154Q146-R150 WeakPolarHBondContact O-CG 3.37Å; Q146-R150 PolarHBondContact O-N 3.45Å; E147-R150 PolarHBondContact O-N 3.42Å; R150-S154 VanDerWaalsContact O-CB 3.31Å; R150-S154 WeakPolarHBondContact O-CB 3.36Å; R150-S154 PolarHBondContact O-N 2.87Å
151K66.5Low70.5Confident114 Ų11480.6 Ų80.650%0.49640%0.399SS..Hα-helixtrans-66.6-39.3175.5-75.7175.3-176.2172.50112.5E147 N148 E149 R155E147-K151 WeakPolarHBondContact O-CB 3.47Å; E147-K151 WeakPolarHBondContact O-CG 3.19Å; E147-K151 PolarHBondContact O-N 3.23Å; N148-K151 PolarHBondContact O-N 3.4Å; E149-K151 VanDerWaalsContact C-N 3.26Å; E149-K151 PolarHBondContact O-N 2.97Å; K151-R155 WeakPolarHBondContact O-CG 3.34Å; K151-R155 PolarHBondContact O-N 2.96Å
152R77.7Confident70.6Confident73 Ų7380.1 Ų80.128%0.27540%0.4SS..Hα-helixtrans-61.6-53.8175.4-174.8-170.868.994.2-3.4110.3N148 E149 S154 R155 E156 E208N148-R152 PolarHBondContact O-N 3.49Å; E149-R152 WeakPolarHBondContact O-CB 3.35Å; E149-R152 PolarHBondContact O-N 2.88Å; E149-R152 VanDerWaalsContact O-N 3.1Å; E149-R152 IonicContact OE1-CZ 3.07Å; E149-R152 IonicContact OE1-NE 2.68Å; E149-R152 PolarHBondContact OE1-NE 2.94Å; E149-R152 IonicContact OE1-NH2 2.8Å; E149-R152 PolarHBondContact OE1-NH2 3.3Å; E149-R152 IonicContact OE2-CZ 2.64Å; E149-R152 IonicContact OE2-NE 3.6Å; E149-R152 PolarHBondContact OE2-NE 3.48Å; E149-R152 IonicContact OE2-NH2 3.5Å; R152-S154 VanDerWaalsContact C-N 3.3Å; R152-S154 PolarHBondContact O-N 3.3Å; R152-R155 WeakPolarHBondContact O-CB 3.33Å; R152-R155 PolarHBondContact O-N 2.78Å; R152-E156 WeakPolarHBondContact CG-OE1 3.11Å; R152-E156 IonicContact CZ-OE1 3.83Å; R152-E156 IonicContact CZ-OE2 3.29Å; R152-E156 IonicContact NH1-OE1 3.67Å; R152-E156 PolarHBondContact NH1-OE1 2.97Å; R152-E156 IonicContact NH1-OE2 3.82Å; R152-E156 PolarHBondContact NH1-OE2 3.46Å; R152-E156 PolarHBondContact O-N 2.9Å; R152-E208 IonicContact CZ-OE2 3.87Å; R152-E208 IonicContact NH1-OE2 3.34Å; R152-E208 PolarHBondContact NH1-OE2 2.98Å; R152-E208 IonicContact NH2-OE2 3.7Å; R152-E208 PolarHBondContact NH2-OE2 3.19Å
153I73.8Confident71Confident28 Ų2882.5 Ų82.514%0.14441%0.407CS..Hα-helixtrans-57-44.8177.9-65.5161.1000110.7E149 R155 E156 L157 L209E149-I153 HydrophobicContact CG-CD1 3.95Å; E149-I153 WeakPolarHBondContact O-CG1 3.2Å; E149-I153 PolarHBondContact O-N 2.84Å; I153-R155 VanDerWaalsContact C-N 3.29Å; I153-R155 PolarHBondContact O-N 2.89Å; I153-E156 PolarHBondContact O-N 2.9Å; I153-L157 HydrophobicContact CG2-CD1 3.78Å; I153-L157 HydrophobicContact CG2-CG 4.26Å; I153-L157 WeakPolarHBondContact O-CB 3.35Å; I153-L157 VanDerWaalsContact O-CG 3.29Å; I153-L157 WeakPolarHBondContact O-CG 3.46Å; I153-L157 PolarHBondContact O-N 2.9Å; I153-L209 HydrophobicContact CD1-CD2 3.6Å; I153-L209 HydrophobicContact CD1-CG 4.27Å
154S67Low72Confident75 Ų7580.3 Ų80.352%0.52440%0.395SS..Hα-helixtrans-61.9-36177.4-176.50000112.9R150 R152 H158R150-S154 VanDerWaalsContact O-CB 3.31Å; R150-S154 WeakPolarHBondContact O-CB 3.36Å; R150-S154 PolarHBondContact O-N 2.87Å; R152-S154 VanDerWaalsContact C-N 3.3Å; R152-S154 PolarHBondContact O-N 3.3Å; S154-H158 WeakPolarHBondContact O-CB 3.49Å; S154-H158 PolarHBondContact O-N 2.96Å; S154-H158 VanDerWaalsContact O-N 3.13Å
155R71Confident72.9Confident171 Ų17182.5 Ų82.565%0.64540%0.4SS*.Hα-helixtrans-72.4-43.8176.6-75.3173.4-177.4171.7-0.2111.4K151 R152 I153 H158 D159K151-R155 WeakPolarHBondContact O-CG 3.34Å; K151-R155 PolarHBondContact O-N 2.96Å; R152-R155 WeakPolarHBondContact O-CB 3.33Å; R152-R155 PolarHBondContact O-N 2.78Å; I153-R155 VanDerWaalsContact C-N 3.29Å; I153-R155 PolarHBondContact O-N 2.89Å; R155-H158 PolarHBondContact O-N 3.13Å; R155-D159 WeakPolarHBondContact O-CB 3.45Å; R155-D159 PolarHBondContact O-N 2.93Å
156E72.6Confident73.7Confident64 Ų6484.4 Ų84.430%0.29940%0.403SS..Hα-helixtrans-62-48.7177.3-73.4174.1-169.700111.1R152 I153 H158 D159 S160 M205R152-E156 WeakPolarHBondContact CG-OE1 3.11Å; R152-E156 IonicContact CZ-OE1 3.83Å; R152-E156 IonicContact CZ-OE2 3.29Å; R152-E156 IonicContact NH1-OE1 3.67Å; R152-E156 PolarHBondContact NH1-OE1 2.97Å; R152-E156 IonicContact NH1-OE2 3.82Å; R152-E156 PolarHBondContact NH1-OE2 3.46Å; R152-E156 PolarHBondContact O-N 2.9Å; I153-E156 PolarHBondContact O-N 2.9Å; E156-H158 VanDerWaalsContact C-N 3.26Å; E156-H158 PolarHBondContact O-N 3.33Å; E156-D159 PolarHBondContact O-N 3.37Å; E156-S160 PolarHBondContact O-N 3.01Å; E156-S160 PolarHBondContact O-OG 3.35Å; E156-M205 HydrophobicContact CB-SD 3.81Å
157L72.4Confident74.4Confident74 Ų7483.2 Ų83.239%0.38740%0.4SS..Iπ-helixtrans-56.6-40.8173.7-71.7172.1000112.4I153 V161 I162 M205I153-L157 HydrophobicContact CG2-CD1 3.78Å; I153-L157 HydrophobicContact CG2-CG 4.26Å; I153-L157 WeakPolarHBondContact O-CB 3.35Å; I153-L157 VanDerWaalsContact O-CG 3.29Å; I153-L157 WeakPolarHBondContact O-CG 3.46Å; I153-L157 PolarHBondContact O-N 2.9Å; L157-V161 HydrophobicContact CD2-CG2 4.36Å; L157-V161 WeakPolarHBondContact O-CB 3.43Å; L157-V161 PolarHBondContact O-N 2.92Å; L157-I162 PolarHBondContact O-N 3.27Å; L157-I162 VanDerWaalsContact O-N 3.1Å; L157-M205 HydrophobicContact CD2-CE 3.67Å; L157-M205 HydrophobicContact CD2-SD 4.18Å; L157-M205 HydrophobicContact CG-SD 4.45Å
158H70.3Confident75.6Confident99 Ų9979.6 Ų79.646%0.45838%0.384SS..Iπ-helixtrans-72.9-43.6-178.7-175.9-83.5000113S154 R155 E156 I162S154-H158 WeakPolarHBondContact O-CB 3.49Å; S154-H158 PolarHBondContact O-N 2.96Å; S154-H158 VanDerWaalsContact O-N 3.13Å; R155-H158 PolarHBondContact O-N 3.13Å; E156-H158 VanDerWaalsContact C-N 3.26Å; E156-H158 PolarHBondContact O-N 3.33Å; H158-I162 WeakPolarHBondContact O-CB 3.35Å
159D72.1Confident76.4Confident103 Ų10378 Ų7855%0.55138%0.375SS*.Iπ-helixtrans-89.6-32.9-169.8-65.7-15.3000112.6R155 E156 Q163R155-D159 WeakPolarHBondContact O-CB 3.45Å; R155-D159 PolarHBondContact O-N 2.93Å; E156-D159 PolarHBondContact O-N 3.37Å; D159-Q163 VanDerWaalsContact O-CB 3.29Å; D159-Q163 WeakPolarHBondContact O-CB 3.41Å; D159-Q163 WeakPolarHBondContact O-CG 3.39Å
160S72.2Confident77.3Confident38 Ų3878.3 Ų78.327%0.26638%0.382SS..Iπ-helixtrans-92.9-58.417670.10000111.5E156 E164E156-S160 PolarHBondContact O-N 3.01Å; E156-S160 PolarHBondContact O-OG 3.35Å; S160-E164 WeakPolarHBondContact O-CB 3.4Å; S160-E164 WeakPolarHBondContact O-CG 3.46Å; S160-E164 PolarHBondContact O-N 2.82Å
161V78.8Confident78Confident11 Ų1172.7 Ų72.77%0.06736%0.362CS..Iπ-helixtrans-72.7-50.8-169.2178.50000112.4L157 Q163 E164 M165 L198 I202 M205L157-V161 HydrophobicContact CD2-CG2 4.36Å; L157-V161 WeakPolarHBondContact O-CB 3.43Å; L157-V161 PolarHBondContact O-N 2.92Å; V161-Q163 VanDerWaalsContact C-N 3.34Å; V161-Q163 PolarHBondContact O-N 3.37Å; V161-E164 PolarHBondContact O-N 2.79Å; V161-M165 HydrophobicContact CG1-CE 4.26Å; V161-M165 HydrophobicContact CG1-CG 4.38Å; V161-M165 HydrophobicContact CG1-SD 4.23Å; V161-M165 WeakPolarHBondContact O-CB 3.16Å; V161-M165 WeakPolarHBondContact O-CG 3.29Å; V161-M165 PolarHBondContact O-N 3.08Å; V161-L198 HydrophobicContact CB-CD2 4.38Å; V161-L198 HydrophobicContact CG1-CD2 4.23Å; V161-L198 HydrophobicContact CG2-CD2 4.43Å; V161-I202 HydrophobicContact CG1-CD1 3.81Å; V161-I202 HydrophobicContact CG1-CG1 4.1Å; V161-I202 HydrophobicContact CG2-CD1 4.33Å; V161-I202 HydrophobicContact CG2-CG1 3.7Å; V161-M205 HydrophobicContact CG2-CE 3.45Å; V161-M205 VanDerWaalsContact CG2-CE 3.45Å
162I76.5Confident79.1Confident82 Ų8271.2 Ų71.242%0.42136%0.359SS..Iπ-helixtrans-65.1-40.4-178.3-63.9177.8000110.5L157 H158 M165 L166L157-I162 PolarHBondContact O-N 3.27Å; L157-I162 VanDerWaalsContact O-N 3.1Å; H158-I162 WeakPolarHBondContact O-CB 3.35Å; I162-M165 PolarHBondContact O-N 3.21Å; I162-L166 HydrophobicContact CG2-CD1 4.11Å; I162-L166 HydrophobicContact CG2-CG 4.38Å; I162-L166 WeakPolarHBondContact O-CB 3.39Å; I162-L166 VanDerWaalsContact O-CG 3.28Å; I162-L166 WeakPolarHBondContact O-CG 3.23Å; I162-L166 PolarHBondContact O-N 3.41Å
163Q80.4Confident79.6Confident105 Ų10574.8 Ų74.849%0.49137%0.373SS..Hα-helixtrans-65-45.5178.3-68.7-63.7-34.800112.4D159 V161 L166 N167D159-Q163 VanDerWaalsContact O-CB 3.29Å; D159-Q163 WeakPolarHBondContact O-CB 3.41Å; D159-Q163 WeakPolarHBondContact O-CG 3.39Å; V161-Q163 VanDerWaalsContact C-N 3.34Å; V161-Q163 PolarHBondContact O-N 3.37Å; Q163-L166 PolarHBondContact O-N 3.33Å; Q163-N167 PolarHBondContact O-N 2.83Å
164E82.6Confident80.3Confident40 Ų4078.7 Ų78.719%0.18739%0.393CS..Hα-helixtrans-66.8-37.7177-74-171177.300111.3S160 V161 L166 N167 V168 K197 L198S160-E164 WeakPolarHBondContact O-CB 3.4Å; S160-E164 WeakPolarHBondContact O-CG 3.46Å; S160-E164 PolarHBondContact O-N 2.82Å; V161-E164 PolarHBondContact O-N 2.79Å; E164-L166 PolarHBondContact O-N 2.99Å; E164-N167 WeakPolarHBondContact O-CB 3.44Å; E164-N167 PolarHBondContact O-N 3.02Å; E164-V168 WeakPolarHBondContact O-CG2 3.32Å; E164-V168 PolarHBondContact O-N 3.42Å; E164-K197 IonicContact OE1-NZ 2.75Å; E164-K197 PolarHBondContact OE1-NZ 3.11Å; E164-L198 HydrophobicContact CB-CD1 3.86Å; E164-L198 HydrophobicContact CB-CD2 3.49Å; E164-L198 VanDerWaalsContact CB-CD2 3.49Å; E164-L198 HydrophobicContact CB-CG 3.77Å; E164-L198 HydrophobicContact CG-CD2 4.35Å; E164-L198 VanDerWaalsContact OE2-CD2 3.26Å; E164-L198 WeakPolarHBondContact OE2-CD2 3.43Å; E164-L198 VanDerWaalsContact OE2-CG 3.28Å; E164-L198 WeakPolarHBondContact OE2-CG 3.44Å
165M83.1Confident81.2Confident105 Ų10576.7 Ų76.752%0.51738%0.377SS..Hα-helixtrans-63-39.7172.9-79.3-168.5167.700112.9V161 I162 N167 V168 D169 L198V161-M165 HydrophobicContact CG1-CE 4.26Å; V161-M165 HydrophobicContact CG1-CG 4.38Å; V161-M165 HydrophobicContact CG1-SD 4.23Å; V161-M165 WeakPolarHBondContact O-CB 3.16Å; V161-M165 WeakPolarHBondContact O-CG 3.29Å; V161-M165 PolarHBondContact O-N 3.08Å; I162-M165 PolarHBondContact O-N 3.21Å; M165-N167 VanDerWaalsContact C-N 3.31Å; M165-V168 PolarHBondContact O-N 3.27Å; M165-D169 PolarHBondContact O-N 3.24Å; M165-L198 HydrophobicContact CG-CD1 3.96Å
166L85.1Confident81.8Confident87 Ų8776.9 Ų76.946%0.45538%0.382SS..Hα-helixtrans-62.9-39.5173.9-75.3171.2000111.2I162 Q163 E164 D169 V170I162-L166 HydrophobicContact CG2-CD1 4.11Å; I162-L166 HydrophobicContact CG2-CG 4.38Å; I162-L166 WeakPolarHBondContact O-CB 3.39Å; I162-L166 VanDerWaalsContact O-CG 3.28Å; I162-L166 WeakPolarHBondContact O-CG 3.23Å; I162-L166 PolarHBondContact O-N 3.41Å; Q163-L166 PolarHBondContact O-N 3.33Å; E164-L166 PolarHBondContact O-N 2.99Å; L166-D169 PolarHBondContact O-N 3.33Å; L166-V170 WeakPolarHBondContact O-CG2 3.49Å; L166-V170 PolarHBondContact O-N 3.29Å
167N86Confident82.5Confident76 Ų7683 Ų8341%0.40640%0.404SS..Hα-helixtrans-62.3-45.4174.7-173.415.4000111.4Q163 E164 M165 D169 V170 Q171Q163-N167 PolarHBondContact O-N 2.83Å; E164-N167 WeakPolarHBondContact O-CB 3.44Å; E164-N167 PolarHBondContact O-N 3.02Å; M165-N167 VanDerWaalsContact C-N 3.31Å; N167-D169 PolarHBondContact O-N 3.43Å; N167-V170 PolarHBondContact O-N 2.68Å; N167-Q171 PolarHBondContact ND2-NE2 3.05Å; N167-Q171 WeakPolarHBondContact O-CG 3.46Å; N167-Q171 PolarHBondContact O-N 2.68Å; N167-Q171 PolarHBondContact OD1-NE2 2.95Å
168V88.5Confident83.2Confident15 Ų1581.8 Ų81.89%0.09140%0.396CS..Hα-helixtrans-59.5-46174.81710000111.4E164 M165 V170 Q171 L172 I191 I194 V195 L198E164-V168 WeakPolarHBondContact O-CG2 3.32Å; E164-V168 PolarHBondContact O-N 3.42Å; M165-V168 PolarHBondContact O-N 3.27Å; V168-V170 VanDerWaalsContact C-N 3.35Å; V168-V170 PolarHBondContact O-N 3.49Å; V168-Q171 PolarHBondContact O-N 3.12Å; V168-L172 HydrophobicContact CG1-CD1 3.76Å; V168-L172 HydrophobicContact CG1-CG 4.28Å; V168-L172 WeakPolarHBondContact O-CB 3.28Å; V168-L172 VanDerWaalsContact O-CG 3.32Å; V168-L172 WeakPolarHBondContact O-CG 3.49Å; V168-L172 PolarHBondContact O-N 3.03Å; V168-I191 HydrophobicContact CG1-CG2 4.03Å; V168-I194 HydrophobicContact CG2-CB 4.07Å; V168-I194 HydrophobicContact CG2-CG2 3.45Å; V168-I194 VanDerWaalsContact CG2-CG2 3.45Å; V168-V195 HydrophobicContact CG1-CG2 3.99Å; V168-V195 HydrophobicContact CG2-CG2 4.1Å; V168-L198 HydrophobicContact CG2-CD1 4.31Å
169D88Confident84.1Confident58 Ų5886.1 Ų86.131%0.3142%0.416SS..Hα-helixtrans-60.2-42.5177175.254.5000111.9M165 L166 N167 R173M165-D169 PolarHBondContact O-N 3.24Å; L166-D169 PolarHBondContact O-N 3.33Å; N167-D169 PolarHBondContact O-N 3.43Å; D169-R173 VanDerWaalsContact O-CG 3.25Å; D169-R173 WeakPolarHBondContact O-CG 3.46Å; D169-R173 PolarHBondContact O-N 2.91Å; D169-R173 IonicContact OD1-CZ 3.06Å; D169-R173 IonicContact OD1-NE 3.04Å; D169-R173 PolarHBondContact OD1-NE 3.39Å; D169-R173 VanDerWaalsContact OD1-NE 3.07Å; D169-R173 IonicContact OD1-NH2 2.72Å; D169-R173 PolarHBondContact OD1-NH2 2.9Å; D169-R173 IonicContact OD2-CZ 2.79Å; D169-R173 IonicContact OD2-NE 3.42Å; D169-R173 PolarHBondContact OD2-NE 2.81Å; D169-R173 IonicContact OD2-NH2 3.68Å; D169-R173 PolarHBondContact OD2-NH2 3.27Å
170V87.8Confident85Confident76 Ų7685.2 Ų85.246%0.46141%0.412SS..Hα-helixtrans-63.6-47176171.40000111.3L166 N167 V168 L172 R173 L174L166-V170 WeakPolarHBondContact O-CG2 3.49Å; L166-V170 PolarHBondContact O-N 3.29Å; N167-V170 PolarHBondContact O-N 2.68Å; V168-V170 VanDerWaalsContact C-N 3.35Å; V168-V170 PolarHBondContact O-N 3.49Å; V170-L172 PolarHBondContact O-N 3.49Å; V170-R173 PolarHBondContact O-N 3.23Å; V170-L174 HydrophobicContact CG1-CD1 4.09Å; V170-L174 WeakPolarHBondContact O-CG 3.31Å; V170-L174 PolarHBondContact O-N 3.42Å
171Q86.6Confident85.8Confident32 Ų3288.2 Ų88.215%0.1543%0.428CS..Hα-helixtrans-61.6-45.2178.7-71.1-179.745.100111.5N167 V168 R173 L174 L175 N190 I191N167-Q171 PolarHBondContact ND2-NE2 3.05Å; N167-Q171 WeakPolarHBondContact O-CG 3.46Å; N167-Q171 PolarHBondContact O-N 2.68Å; N167-Q171 PolarHBondContact OD1-NE2 2.95Å; V168-Q171 PolarHBondContact O-N 3.12Å; Q171-R173 VanDerWaalsContact C-N 3.29Å; Q171-R173 PolarHBondContact O-N 3.05Å; Q171-L174 PolarHBondContact O-N 3.23Å; Q171-L174 VanDerWaalsContact O-N 3.11Å; Q171-L175 PolarHBondContact O-N 3.43Å; Q171-N190 PolarHBondContact OE1-ND2 2.73Å; Q171-I191 HydrophobicContact CB-CD1 3.85Å; Q171-I191 HydrophobicContact CB-CG1 3.88Å
172L88.7Confident86.3Confident83 Ų8392 Ų9244%0.43545%0.452SS..Hα-helixtrans-59.9-35.8175.3-75.5170.5000112.9V168 V170 L175 I191V168-L172 HydrophobicContact CG1-CD1 3.76Å; V168-L172 HydrophobicContact CG1-CG 4.28Å; V168-L172 WeakPolarHBondContact O-CB 3.28Å; V168-L172 VanDerWaalsContact O-CG 3.32Å; V168-L172 WeakPolarHBondContact O-CG 3.49Å; V168-L172 PolarHBondContact O-N 3.03Å; V170-L172 PolarHBondContact O-N 3.49Å; L172-L175 HydrophobicContact CD2-CD1 4.15Å; L172-I191 HydrophobicContact CD2-CD1 3.89Å; L172-I191 HydrophobicContact CD2-CG2 4.3Å; L172-I191 HydrophobicContact CG-CD1 4.07Å; L172-I191 HydrophobicContact CG-CG2 4.45Å
173R88.1Confident86.9Confident148 Ų14893.2 Ų93.256%0.55845%0.454SS*.Hα-helixtrans-68.5-38.2175.2-73.3172.3-168.4-157.45.5112D169 V170 Q171D169-R173 VanDerWaalsContact O-CG 3.25Å; D169-R173 WeakPolarHBondContact O-CG 3.46Å; D169-R173 PolarHBondContact O-N 2.91Å; D169-R173 IonicContact OD1-CZ 3.06Å; D169-R173 IonicContact OD1-NE 3.04Å; D169-R173 PolarHBondContact OD1-NE 3.39Å; D169-R173 VanDerWaalsContact OD1-NE 3.07Å; D169-R173 IonicContact OD1-NH2 2.72Å; D169-R173 PolarHBondContact OD1-NH2 2.9Å; D169-R173 IonicContact OD2-CZ 2.79Å; D169-R173 IonicContact OD2-NE 3.42Å; D169-R173 PolarHBondContact OD2-NE 2.81Å; D169-R173 IonicContact OD2-NH2 3.68Å; D169-R173 PolarHBondContact OD2-NH2 3.27Å; V170-R173 PolarHBondContact O-N 3.23Å; Q171-R173 VanDerWaalsContact C-N 3.29Å; Q171-R173 PolarHBondContact O-N 3.05Å
174L87.7Confident87.3Confident110 Ų11091.2 Ų91.258%0.57645%0.447SS*.Hα-helixtrans-71-30.9-179.9-68.6173.9000112.7V170 Q171 K176 Y177V170-L174 HydrophobicContact CG1-CD1 4.09Å; V170-L174 WeakPolarHBondContact O-CG 3.31Å; V170-L174 PolarHBondContact O-N 3.42Å; Q171-L174 PolarHBondContact O-N 3.23Å; Q171-L174 VanDerWaalsContact O-N 3.11Å; L174-K176 PolarHBondContact O-N 2.9Å; L174-Y177 PolarHBondContact O-N 2.88Å
175L87.4Confident87.6Confident34 Ų3494.3 Ų94.318%0.17846%0.464CS..G310 helixtrans-53.1-29.5176-76.2-178.6000113.5Q171 L172 Y177 Q178 L184 D187 I191Q171-L175 PolarHBondContact O-N 3.43Å; L172-L175 HydrophobicContact CD2-CD1 4.15Å; L175-Y177 PolarHBondContact O-N 2.97Å; L175-Q178 WeakPolarHBondContact O-CB 3.09Å; L175-Q178 PolarHBondContact O-N 3.27Å; L175-Q178 VanDerWaalsContact O-N 3.17Å; L175-L184 HydrophobicContact CD2-CD1 4.27Å; L175-L184 HydrophobicContact CD2-CG 4.34Å; L175-D187 HydrophobicContact CD2-CB 3.52Å; L175-I191 HydrophobicContact CD1-CD1 3.68Å; L175-I191 HydrophobicContact CG-CD1 4.25Å
176K83.7Confident87.9Confident174 Ų17495 Ų9576%0.75747%0.465SS*.G310 helixtrans-65.8-18.9179.1-63.3-179.6-178.7177.70113.9L174L174-K176 PolarHBondContact O-N 2.9Å
177Y87.5Confident88.1Confident194 Ų19493.1 Ų93.176%0.76146%0.456SS*.G310 helixtrans-1073.7179.9-55.6-75.6000112.2L174 L175L174-Y177 PolarHBondContact O-N 2.88Å; L175-Y177 PolarHBondContact O-N 2.97Å
178Q87.1Confident88.2Confident48 Ų4891.5 Ų91.522%0.22445%0.453CS..  trans-85.4113.5180-174.668.8-84.600110.2L175 K183 L184 D187L175-Q178 WeakPolarHBondContact O-CB 3.09Å; L175-Q178 PolarHBondContact O-N 3.27Å; L175-Q178 VanDerWaalsContact O-N 3.17Å; Q178-K183 HydrophobicContact CG-CB 4.45Å; Q178-L184 HydrophobicContact CB-CD1 4.04Å; Q178-L184 HydrophobicContact CG-CB 3.86Å; Q178-L184 HydrophobicContact CG-CD1 4.23Å; Q178-D187 PolarHBondContact NE2-OD2 3.2Å
179E88.2Confident88.2Confident189 Ų18997.1 Ų97.188%0.88348%0.478SS*.  trans-94.5-24.1177.5-63.6-175.6172.300112.5T181E179-T181 PolarHBondContact O-N 3.09Å
180D90.6Very high88.3Confident85 Ų8597.6 Ų97.646%0.45548%0.481SS..  trans-77.6111.4176.7-172.2-23.4000110.3T182 K183 L184D180-T182 VanDerWaalsContact C-N 3.26Å; D180-T182 PolarHBondContact O-N 3.25Å; D180-T182 WeakPolarHBondContact OD1-CB 3.05Å; D180-T182 PolarHBondContact OD1-N 3.44Å; D180-T182 PolarHBondContact OD1-OG1 3.07Å; D180-K183 HydrophobicContact CB-CB 4.02Å; D180-K183 PolarHBondContact O-N 2.95Å; D180-K183 PolarHBondContact OD1-N 2.97Å; D180-L184 WeakPolarHBondContact O-CB 3.31Å; D180-L184 PolarHBondContact O-N 2.96Å
181T89.2Confident88.4Confident100 Ų10094.8 Ų94.861%0.61346%0.463SS*.Hα-helixtrans-61.6-33-179.2-50.50000112.7E179 L184 L185E179-T181 PolarHBondContact O-N 3.09Å; T181-L184 PolarHBondContact O-N 2.78Å; T181-L185 WeakPolarHBondContact O-CG 3.26Å; T181-L185 PolarHBondContact O-N 2.95Å; T181-L185 VanDerWaalsContact O-N 3.1Å
182T89.7Confident88.4Confident92 Ų92100 Ų10056%0.56449%0.488SS*.Hα-helixtrans-66.7-47.7178.9-43.30000109.7D180 L184 L185 E186D180-T182 VanDerWaalsContact C-N 3.26Å; D180-T182 PolarHBondContact O-N 3.25Å; D180-T182 WeakPolarHBondContact OD1-CB 3.05Å; D180-T182 PolarHBondContact OD1-N 3.44Å; D180-T182 PolarHBondContact OD1-OG1 3.07Å; T182-L184 VanDerWaalsContact C-N 3.34Å; T182-L184 PolarHBondContact O-N 2.88Å; T182-L185 PolarHBondContact O-N 2.99Å; T182-E186 PolarHBondContact O-N 3.45Å; T182-E186 VanDerWaalsContact O-N 3.07Å
183K88.2Confident88.4Confident106 Ų106103.5 Ų103.546%0.46150%0.496SS..Hα-helixtrans-68.4-33.8179.1-163.4172.2170.5-179.10112.4Q178 D180 L185 E186 D187Q178-K183 HydrophobicContact CG-CB 4.45Å; D180-K183 HydrophobicContact CB-CB 4.02Å; D180-K183 PolarHBondContact O-N 2.95Å; D180-K183 PolarHBondContact OD1-N 2.97Å; K183-L185 VanDerWaalsContact C-N 3.35Å; K183-E186 PolarHBondContact O-N 3.29Å; K183-D187 VanDerWaalsContact O-CB 3.31Å; K183-D187 WeakPolarHBondContact O-CB 3.5Å; K183-D187 PolarHBondContact O-N 2.73Å
184L90Very high88.3Confident64 Ų6497.5 Ų97.534%0.33548%0.475SS..Hα-helixtrans-61.9-41.1173-174.1116.9000112L175 Q178 D180 T181 T182 A188L175-L184 HydrophobicContact CD2-CD1 4.27Å; L175-L184 HydrophobicContact CD2-CG 4.34Å; Q178-L184 HydrophobicContact CB-CD1 4.04Å; Q178-L184 HydrophobicContact CG-CB 3.86Å; Q178-L184 HydrophobicContact CG-CD1 4.23Å; D180-L184 WeakPolarHBondContact O-CB 3.31Å; D180-L184 PolarHBondContact O-N 2.96Å; T181-L184 PolarHBondContact O-N 2.78Å; T182-L184 VanDerWaalsContact C-N 3.34Å; T182-L184 PolarHBondContact O-N 2.88Å; L184-A188 VanDerWaalsContact O-CB 3.26Å; L184-A188 WeakPolarHBondContact O-CB 3.32Å; L184-A188 PolarHBondContact O-N 2.91Å
185L89.4Confident88.3Confident104 Ų10494.9 Ų94.955%0.54546%0.463SS..Hα-helixtrans-65.4-46.7174.7-74168.5000111.3T181 T182 K183 D187 A188 E189T181-L185 WeakPolarHBondContact O-CG 3.26Å; T181-L185 PolarHBondContact O-N 2.95Å; T181-L185 VanDerWaalsContact O-N 3.1Å; T182-L185 PolarHBondContact O-N 2.99Å; K183-L185 VanDerWaalsContact C-N 3.35Å; L185-D187 PolarHBondContact O-N 3.16Å; L185-A188 PolarHBondContact O-N 3.1Å; L185-E189 WeakPolarHBondContact O-CG 3.3Å; L185-E189 PolarHBondContact O-N 3.43Å
186E88.9Confident88Confident119 Ų11996 Ų9656%0.55648%0.477SS*.Hα-helixtrans-59.9-46176.8-70.7177.318000112.4T182 K183 A188 E189 N190T182-E186 PolarHBondContact O-N 3.45Å; T182-E186 VanDerWaalsContact O-N 3.07Å; K183-E186 PolarHBondContact O-N 3.29Å; E186-A188 VanDerWaalsContact C-N 3.32Å; E186-A188 PolarHBondContact O-N 2.86Å; E186-E189 PolarHBondContact O-N 3.47Å; E186-N190 WeakPolarHBondContact O-CB 3.35Å; E186-N190 PolarHBondContact O-N 3.02Å
187D87.8Confident88Confident49 Ų4991.8 Ų91.826%0.26246%0.459SS..Hα-helixtrans-63.4-38.1177.8-71.8-28.3000110.9L175 Q178 K183 L185 N190 I191L175-D187 HydrophobicContact CD2-CB 3.52Å; Q178-D187 PolarHBondContact NE2-OD2 3.2Å; K183-D187 VanDerWaalsContact O-CB 3.31Å; K183-D187 WeakPolarHBondContact O-CB 3.5Å; K183-D187 PolarHBondContact O-N 2.73Å; L185-D187 PolarHBondContact O-N 3.16Å; D187-N190 PolarHBondContact O-N 3.38Å; D187-I191 WeakPolarHBondContact O-CD1 3.36Å; D187-I191 VanDerWaalsContact O-CG1 3.3Å; D187-I191 WeakPolarHBondContact O-CG1 3.46Å; D187-I191 PolarHBondContact O-N 3.41Å
188A88.8Confident87.8Confident42 Ų4282.9 Ų82.935%0.34743%0.425SS..Hα-helixtrans-68.7-43.617700000112.8L184 L185 E186 N190 I191 E192L184-A188 VanDerWaalsContact O-CB 3.26Å; L184-A188 WeakPolarHBondContact O-CB 3.32Å; L184-A188 PolarHBondContact O-N 2.91Å; L185-A188 PolarHBondContact O-N 3.1Å; E186-A188 VanDerWaalsContact C-N 3.32Å; E186-A188 PolarHBondContact O-N 2.86Å; A188-N190 VanDerWaalsContact C-N 3.3Å; A188-N190 PolarHBondContact O-N 3.31Å; A188-I191 PolarHBondContact O-N 2.96Å; A188-E192 PolarHBondContact O-N 3.34Å
189E89.7Confident87.4Confident132 Ų13285.3 Ų85.362%0.61744%0.438SS*.Hα-helixtrans-60.9-40173.9-74.1179.5174.700111.2L185 E186 E192 Y193L185-E189 WeakPolarHBondContact O-CG 3.3Å; L185-E189 PolarHBondContact O-N 3.43Å; E186-E189 PolarHBondContact O-N 3.47Å; E189-E192 PolarHBondContact O-N 3.23Å; E189-Y193 WeakPolarHBondContact O-CB 3.36Å; E189-Y193 PolarHBondContact O-N 3.19Å
190N88.3Confident86.8Confident69 Ų6979.9 Ų79.937%0.36942%0.415SS..Hα-helixtrans-64.9-41.4175.6-17556.8000112.3Q171 E186 D187 A188 Y193 I194Q171-N190 PolarHBondContact OE1-ND2 2.73Å; E186-N190 WeakPolarHBondContact O-CB 3.35Å; E186-N190 PolarHBondContact O-N 3.02Å; D187-N190 PolarHBondContact O-N 3.38Å; A188-N190 VanDerWaalsContact C-N 3.3Å; A188-N190 PolarHBondContact O-N 3.31Å; N190-Y193 PolarHBondContact O-N 2.91Å; N190-I194 VanDerWaalsContact O-CG1 3.28Å; N190-I194 WeakPolarHBondContact O-CG1 3.39Å; N190-I194 PolarHBondContact O-N 3.42Å
191I90Very high86Confident16 Ų1677.9 Ų77.98%0.08240%0.404CS..Hα-helixtrans-62.6-45174.3-71.3160.6000110.8V168 Q171 L172 L175 D187 A188 Y193 I194 V195V168-I191 HydrophobicContact CG1-CG2 4.03Å; Q171-I191 HydrophobicContact CB-CD1 3.85Å; Q171-I191 HydrophobicContact CB-CG1 3.88Å; L172-I191 HydrophobicContact CD2-CD1 3.89Å; L172-I191 HydrophobicContact CD2-CG2 4.3Å; L172-I191 HydrophobicContact CG-CD1 4.07Å; L172-I191 HydrophobicContact CG-CG2 4.45Å; L175-I191 HydrophobicContact CD1-CD1 3.68Å; L175-I191 HydrophobicContact CG-CD1 4.25Å; D187-I191 WeakPolarHBondContact O-CD1 3.36Å; D187-I191 VanDerWaalsContact O-CG1 3.3Å; D187-I191 WeakPolarHBondContact O-CG1 3.46Å; D187-I191 PolarHBondContact O-N 3.41Å; A188-I191 PolarHBondContact O-N 2.96Å; I191-Y193 VanDerWaalsContact C-N 3.3Å; I191-Y193 PolarHBondContact O-N 2.93Å; I191-I194 PolarHBondContact O-N 2.92Å; I191-V195 HydrophobicContact CG2-CG2 4.23Å; I191-V195 WeakPolarHBondContact O-CB 3.11Å; I191-V195 VanDerWaalsContact O-CG2 3.3Å; I191-V195 WeakPolarHBondContact O-CG2 3.33Å; I191-V195 PolarHBondContact O-N 2.96Å
192E87.5Confident85.4Confident143 Ų14375.9 Ų75.967%0.66839%0.389SS*.Hα-helixtrans-58.4-44.2176.6-174.3177.4179.800111A188 E189 V195 A196A188-E192 PolarHBondContact O-N 3.34Å; E189-E192 PolarHBondContact O-N 3.23Å; E192-V195 PolarHBondContact O-N 3.12Å; E192-A196 VanDerWaalsContact O-CB 3.3Å; E192-A196 WeakPolarHBondContact O-CB 3.44Å; E192-A196 PolarHBondContact O-N 3.41Å
193Y88.8Confident84.3Confident156 Ų15678.6 Ų78.661%0.61239%0.389SS*.Hα-helixtrans-60.6-48.1175.5177.5-99.7000112.6E189 N190 I191 V195 A196 K197E189-Y193 WeakPolarHBondContact O-CB 3.36Å; E189-Y193 PolarHBondContact O-N 3.19Å; N190-Y193 PolarHBondContact O-N 2.91Å; I191-Y193 VanDerWaalsContact C-N 3.3Å; I191-Y193 PolarHBondContact O-N 2.93Å; Y193-V195 PolarHBondContact O-N 2.79Å; Y193-A196 PolarHBondContact O-N 3.39Å; Y193-K197 WeakPolarHBondContact O-CB 3.4Å; Y193-K197 PolarHBondContact O-N 3.33Å
194I86.1Confident83.3Confident21 Ų2174.9 Ų74.911%0.10838%0.375CS..Hα-helixtrans-63.2-43.4178.8-65.4164.1000110.6V168 N190 I191 K197 L198V168-I194 HydrophobicContact CG2-CB 4.07Å; V168-I194 HydrophobicContact CG2-CG2 3.45Å; V168-I194 VanDerWaalsContact CG2-CG2 3.45Å; N190-I194 VanDerWaalsContact O-CG1 3.28Å; N190-I194 WeakPolarHBondContact O-CG1 3.39Å; N190-I194 PolarHBondContact O-N 3.42Å; I191-I194 PolarHBondContact O-N 2.92Å; I194-K197 PolarHBondContact O-N 2.97Å; I194-L198 HydrophobicContact CG2-CD1 4.22Å; I194-L198 WeakPolarHBondContact O-CB 3.29Å; I194-L198 WeakPolarHBondContact O-CG 3.47Å; I194-L198 PolarHBondContact O-N 3.19Å
195V86.3Confident82.2Confident55 Ų5572.8 Ų72.833%0.33336%0.363SS..Hα-helixtrans-64.8-42.1178.2171.30000111.3V168 I191 E192 Y193 K197 L198 I199V168-V195 HydrophobicContact CG1-CG2 3.99Å; V168-V195 HydrophobicContact CG2-CG2 4.1Å; I191-V195 HydrophobicContact CG2-CG2 4.23Å; I191-V195 WeakPolarHBondContact O-CB 3.11Å; I191-V195 VanDerWaalsContact O-CG2 3.3Å; I191-V195 WeakPolarHBondContact O-CG2 3.33Å; I191-V195 PolarHBondContact O-N 2.96Å; E192-V195 PolarHBondContact O-N 3.12Å; Y193-V195 PolarHBondContact O-N 2.79Å; V195-K197 VanDerWaalsContact C-N 3.34Å; V195-L198 WeakPolarHBondContact O-CB 3.35Å; V195-L198 PolarHBondContact O-N 3.46Å; V195-I199 HydrophobicContact CG1-CD1 3.99Å; V195-I199 VanDerWaalsContact O-CG1 3.3Å; V195-I199 WeakPolarHBondContact O-CG1 3.41Å; V195-I199 PolarHBondContact O-N 3.37Å
196A82.8Confident81.1Confident57 Ų5770.2 Ų70.247%0.47135%0.354SS..Hα-helixtrans-61.7-43.6175.900000111.5E192 Y193 I199 D200E192-A196 VanDerWaalsContact O-CB 3.3Å; E192-A196 WeakPolarHBondContact O-CB 3.44Å; E192-A196 PolarHBondContact O-N 3.41Å; Y193-A196 PolarHBondContact O-N 3.39Å; A196-I199 PolarHBondContact O-N 2.95Å; A196-D200 PolarHBondContact O-N 2.69Å
197K83.5Confident79.7Confident86 Ų8664.9 Ų64.937%0.37433%0.329SS..Hα-helixtrans-62.5-45.7175-172.8-169.5167.5-134.90111.9E164 Y193 I194 V195 I199 D200 D201E164-K197 IonicContact OE1-NZ 2.75Å; E164-K197 PolarHBondContact OE1-NZ 3.11Å; Y193-K197 WeakPolarHBondContact O-CB 3.4Å; Y193-K197 PolarHBondContact O-N 3.33Å; I194-K197 PolarHBondContact O-N 2.97Å; V195-K197 VanDerWaalsContact C-N 3.34Å; K197-I199 VanDerWaalsContact C-N 3.31Å; K197-I199 PolarHBondContact O-N 3.09Å; K197-D200 CarbonylContact O-C 3.52Å; K197-D200 WeakPolarHBondContact O-CA 3.36Å; K197-D200 WeakPolarHBondContact O-CB 3.38Å; K197-D200 PolarHBondContact O-N 3.4Å; K197-D200 VanDerWaalsContact O-N 3.08Å; K197-D201 PolarHBondContact O-N 2.94Å
198L83.5Confident78.5Confident7 Ų765.7 Ų65.74%0.03733%0.332CS..Hα-helixtrans-56.8-42.8175.2-91.2174.1000112.8V161 E164 M165 V168 I194 V195 D200 D201 I202V161-L198 HydrophobicContact CB-CD2 4.38Å; V161-L198 HydrophobicContact CG1-CD2 4.23Å; V161-L198 HydrophobicContact CG2-CD2 4.43Å; E164-L198 HydrophobicContact CB-CD1 3.86Å; E164-L198 HydrophobicContact CB-CD2 3.49Å; E164-L198 VanDerWaalsContact CB-CD2 3.49Å; E164-L198 HydrophobicContact CB-CG 3.77Å; E164-L198 HydrophobicContact CG-CD2 4.35Å; E164-L198 VanDerWaalsContact OE2-CD2 3.26Å; E164-L198 WeakPolarHBondContact OE2-CD2 3.43Å; E164-L198 VanDerWaalsContact OE2-CG 3.28Å; E164-L198 WeakPolarHBondContact OE2-CG 3.44Å; M165-L198 HydrophobicContact CG-CD1 3.96Å; V168-L198 HydrophobicContact CG2-CD1 4.31Å; I194-L198 HydrophobicContact CG2-CD1 4.22Å; I194-L198 WeakPolarHBondContact O-CB 3.29Å; I194-L198 WeakPolarHBondContact O-CG 3.47Å; I194-L198 PolarHBondContact O-N 3.19Å; V195-L198 WeakPolarHBondContact O-CB 3.35Å; V195-L198 PolarHBondContact O-N 3.46Å; L198-D200 VanDerWaalsContact C-N 3.31Å; L198-D201 PolarHBondContact O-N 3.47Å; L198-I202 WeakPolarHBondContact O-CB 3.35Å; L198-I202 VanDerWaalsContact O-CG1 3.24Å; L198-I202 WeakPolarHBondContact O-CG1 3.37Å; L198-I202 PolarHBondContact O-N 2.89Å
199I77.9Confident77.5Confident99 Ų9966.9 Ų66.951%0.50833%0.332SS..Hα-helixtrans-63.6-41.7176.4-71.4166.7000110.2V195 A196 K197 R203V195-I199 HydrophobicContact CG1-CD1 3.99Å; V195-I199 VanDerWaalsContact O-CG1 3.3Å; V195-I199 WeakPolarHBondContact O-CG1 3.41Å; V195-I199 PolarHBondContact O-N 3.37Å; A196-I199 PolarHBondContact O-N 2.95Å; K197-I199 VanDerWaalsContact C-N 3.31Å; K197-I199 PolarHBondContact O-N 3.09Å; I199-R203 VanDerWaalsContact O-CB 3.29Å; I199-R203 WeakPolarHBondContact O-CB 3.35Å; I199-R203 PolarHBondContact O-N 2.78Å
200D76.3Confident76.5Confident76 Ų7664.4 Ų64.441%0.40632%0.317SS..Hα-helixtrans-65.2-45.3176.7-15963.4000111.5A196 K197 L198 I202 R203 N204A196-D200 PolarHBondContact O-N 2.69Å; K197-D200 CarbonylContact O-C 3.52Å; K197-D200 WeakPolarHBondContact O-CA 3.36Å; K197-D200 WeakPolarHBondContact O-CB 3.38Å; K197-D200 PolarHBondContact O-N 3.4Å; K197-D200 VanDerWaalsContact O-N 3.08Å; L198-D200 VanDerWaalsContact C-N 3.31Å; D200-I202 PolarHBondContact O-N 3.4Å; D200-R203 CarbonylContact O-C 3.6Å; D200-R203 WeakPolarHBondContact O-CA 3.37Å; D200-R203 WeakPolarHBondContact O-CB 3.32Å; D200-R203 PolarHBondContact O-N 3.41Å; D200-R203 VanDerWaalsContact O-N 3.08Å; D200-N204 WeakPolarHBondContact O-CB 3.36Å; D200-N204 PolarHBondContact O-N 3.49Å; D200-N204 PolarHBondContact O-ND2 3.23Å; D200-N204 VanDerWaalsContact O-ND2 3.1Å; D200-N204 PolarHBondContact OD2-ND2 2.92Å; D200-N204 VanDerWaalsContact OD2-ND2 3.1Å
201D73.5Confident75.6Confident42 Ų4261.4 Ų61.423%0.22530%0.301CS..Hα-helixtrans-60.2-43.3176-73.3-17.8000112.1K197 L198 R203 N204 M205K197-D201 PolarHBondContact O-N 2.94Å; L198-D201 PolarHBondContact O-N 3.47Å; D201-R203 VanDerWaalsContact C-N 3.34Å; D201-N204 WeakPolarHBondContact O-CB 3.44Å; D201-N204 PolarHBondContact O-N 3.44Å; D201-M205 WeakPolarHBondContact O-CG 3.41Å; D201-M205 PolarHBondContact O-N 3.38Å
202I76.2Confident74.8Confident58 Ų5863.7 Ų63.730%0.29732%0.322SS..Hα-helixtrans-64.1-40.8174-69.2166.4000110.9V161 L198 D200 M205 S206V161-I202 HydrophobicContact CG1-CD1 3.81Å; V161-I202 HydrophobicContact CG1-CG1 4.1Å; V161-I202 HydrophobicContact CG2-CD1 4.33Å; V161-I202 HydrophobicContact CG2-CG1 3.7Å; L198-I202 WeakPolarHBondContact O-CB 3.35Å; L198-I202 VanDerWaalsContact O-CG1 3.24Å; L198-I202 WeakPolarHBondContact O-CG1 3.37Å; L198-I202 PolarHBondContact O-N 2.89Å; D200-I202 PolarHBondContact O-N 3.4Å; I202-M205 HydrophobicContact CG1-CE 4.17Å; I202-M205 PolarHBondContact O-N 2.87Å; I202-S206 VanDerWaalsContact O-CB 3.27Å; I202-S206 WeakPolarHBondContact O-CB 3.36Å; I202-S206 PolarHBondContact O-N 3.24Å; I202-S206 PolarHBondContact O-OG 3.08Å
203R66.6Low74.3Confident150 Ų15058.2 Ų58.257%0.56630%0.3SS*.Hα-helixtrans-65.2-41.3176.6-174.9-177.6-108.2163.8-4110.8I199 D200 D201 S206 V207I199-R203 VanDerWaalsContact O-CB 3.29Å; I199-R203 WeakPolarHBondContact O-CB 3.35Å; I199-R203 PolarHBondContact O-N 2.78Å; D200-R203 CarbonylContact O-C 3.6Å; D200-R203 WeakPolarHBondContact O-CA 3.37Å; D200-R203 WeakPolarHBondContact O-CB 3.32Å; D200-R203 PolarHBondContact O-N 3.41Å; D200-R203 VanDerWaalsContact O-N 3.08Å; D201-R203 VanDerWaalsContact C-N 3.34Å; R203-S206 PolarHBondContact O-N 3.48Å; R203-V207 VanDerWaalsContact O-CG2 3.29Å; R203-V207 WeakPolarHBondContact O-CG2 3.25Å; R203-V207 PolarHBondContact O-N 2.83Å; R203-V207 VanDerWaalsContact O-N 3.08Å
204N66.7Low74Confident28 Ų2850.8 Ų50.815%0.1527%0.271CS..Hα-helixtrans-57.2-51.8174.1-66.2-30.1000110.7D200 D201 S206 V207 E208 Q229D200-N204 WeakPolarHBondContact O-CB 3.36Å; D200-N204 PolarHBondContact O-N 3.49Å; D200-N204 PolarHBondContact O-ND2 3.23Å; D200-N204 VanDerWaalsContact O-ND2 3.1Å; D200-N204 PolarHBondContact OD2-ND2 2.92Å; D200-N204 VanDerWaalsContact OD2-ND2 3.1Å; D201-N204 WeakPolarHBondContact O-CB 3.44Å; D201-N204 PolarHBondContact O-N 3.44Å; N204-S206 VanDerWaalsContact C-N 3.34Å; N204-S206 PolarHBondContact O-N 2.65Å; N204-V207 PolarHBondContact O-N 3.27Å; N204-E208 PolarHBondContact O-N 3.32Å; N204-Q229 VanDerWaalsContact CA-NE2 3.31Å; N204-Q229 WeakPolarHBondContact OD1-CG 3.44Å; N204-Q229 PolarHBondContact OD1-NE2 2.95Å
205M68.2Low73.5Confident20 Ų2053.1 Ų53.110%0.09928%0.283CS..Hα-helixtrans-64-35.9175.3-69.4-175.8-65.200113.3E156 L157 V161 D201 I202 V207 E208 L209E156-M205 HydrophobicContact CB-SD 3.81Å; L157-M205 HydrophobicContact CD2-CE 3.67Å; L157-M205 HydrophobicContact CD2-SD 4.18Å; L157-M205 HydrophobicContact CG-SD 4.45Å; V161-M205 HydrophobicContact CG2-CE 3.45Å; V161-M205 VanDerWaalsContact CG2-CE 3.45Å; D201-M205 WeakPolarHBondContact O-CG 3.41Å; D201-M205 PolarHBondContact O-N 3.38Å; I202-M205 HydrophobicContact CG1-CE 4.17Å; I202-M205 PolarHBondContact O-N 2.87Å; M205-V207 VanDerWaalsContact C-N 3.27Å; M205-V207 PolarHBondContact O-N 2.84Å; M205-E208 PolarHBondContact O-N 3.48Å; M205-L209 PolarHBondContact O-N 3.39Å
206S64.8Low73.3Confident49 Ų4956.5 Ų56.534%0.34330%0.299SS..Hα-helixtrans-68.6-26.6-179.1-62.80000113.1I202 R203 N204 L209I202-S206 VanDerWaalsContact O-CB 3.27Å; I202-S206 WeakPolarHBondContact O-CB 3.36Å; I202-S206 PolarHBondContact O-N 3.24Å; I202-S206 PolarHBondContact O-OG 3.08Å; R203-S206 PolarHBondContact O-N 3.48Å; N204-S206 VanDerWaalsContact C-N 3.34Å; N204-S206 PolarHBondContact O-N 2.65Å; S206-L209 CarbonylContact O-C 3.58Å; S206-L209 VanDerWaalsContact O-C 3.31Å; S206-L209 WeakPolarHBondContact O-CA 3.45Å; S206-L209 VanDerWaalsContact O-CB 3.31Å; S206-L209 WeakPolarHBondContact O-CB 3.36Å; S206-L209 PolarHBondContact O-N 3.12Å
207V59.9Low73.4Confident7 Ų759.4 Ų59.44%0.04231%0.307CS..Hα-helixtrans-78.2-29.1176.4170.60000111.8R203 N204 M205 L209 Y226 Y258 Q262R203-V207 VanDerWaalsContact O-CG2 3.29Å; R203-V207 WeakPolarHBondContact O-CG2 3.25Å; R203-V207 PolarHBondContact O-N 2.83Å; R203-V207 VanDerWaalsContact O-N 3.08Å; N204-V207 PolarHBondContact O-N 3.27Å; M205-V207 VanDerWaalsContact C-N 3.27Å; M205-V207 PolarHBondContact O-N 2.84Å; V207-L209 CarbonylContact C-O 3.52Å; V207-Y226 HydrophobicContact CG1-CD2 3.29Å; V207-Y226 HydrophobicContact CG1-CE2 4.13Å; V207-Y226 HydrophobicContact CG1-CG 4.08Å; V207-Y258 PolarHBondContact O-OH 3.13Å; V207-Q262 PolarHBondContact O-NE2 3.22Å
208E63.4Low73.7Confident66 Ų6655.4 Ų55.431%0.30829%0.289SS..Hα-helixtrans-66.2-31.2166.7-61.9-170.6157.800111.3R152 N204 M205 R259 Q262R152-E208 IonicContact CZ-OE2 3.87Å; R152-E208 IonicContact NH1-OE2 3.34Å; R152-E208 PolarHBondContact NH1-OE2 2.98Å; R152-E208 IonicContact NH2-OE2 3.7Å; R152-E208 PolarHBondContact NH2-OE2 3.19Å; N204-E208 PolarHBondContact O-N 3.32Å; M205-E208 PolarHBondContact O-N 3.48Å; E208-R259 PolarHBondContact O-NH1 3.32Å; E208-Q262 PolarHBondContact O-NE2 3.45Å
209L66.7Low74.1Confident67 Ų6755 Ų5535%0.35129%0.288SS..SBendtrans-76.4-176.3167-71.5172.3000112I153 M205 S206 V207 P211I153-L209 HydrophobicContact CD1-CD2 3.6Å; I153-L209 HydrophobicContact CD1-CG 4.27Å; M205-L209 PolarHBondContact O-N 3.39Å; S206-L209 CarbonylContact O-C 3.58Å; S206-L209 VanDerWaalsContact O-C 3.31Å; S206-L209 WeakPolarHBondContact O-CA 3.45Å; S206-L209 VanDerWaalsContact O-CB 3.31Å; S206-L209 WeakPolarHBondContact O-CB 3.36Å; S206-L209 PolarHBondContact O-N 3.12Å; V207-L209 CarbonylContact C-O 3.52Å; L209-P211 VanDerWaalsContact O-CD 3.25Å; L209-P211 WeakPolarHBondContact O-CD 3.48Å
210R69.6Low74.8Confident81 Ų8151.6 Ų51.631%0.30627%0.269SS..  trans-73.9110.8172.5-173.8177-175-113.21106.7L214 D215 S251 T255R210-L214 HydrophobicContact CG-CD2 4.08Å; R210-D215 IonicContact CZ-OD1 3.87Å; R210-D215 IonicContact CZ-OD2 2.91Å; R210-D215 VanDerWaalsContact NH1-CG 3.26Å; R210-D215 IonicContact NH1-OD1 2.79Å; R210-D215 PolarHBondContact NH1-OD1 3.11Å; R210-D215 IonicContact NH1-OD2 2.69Å; R210-D215 PolarHBondContact NH1-OD2 3.15Å; R210-D215 VanDerWaalsContact NH1-OD2 3.1Å; R210-D215 IonicContact NH2-OD1 3.07Å; R210-D215 PolarHBondContact NH2-OD1 3.15Å; R210-S251 PolarHBondContact NH2-OG 2.89Å; R210-T255 PolarHBondContact NE-OG1 2.89Å; R210-T255 PolarHBondContact NH2-OG1 2.68Å
211P70.2Confident75.5Confident6 Ų649.4 Ų49.44%0.03926%0.262CS..  trans-74.3142-170.831.3-36.1000110.3L209 S213 L214 A222 Y258L209-P211 VanDerWaalsContact O-CD 3.25Å; L209-P211 WeakPolarHBondContact O-CD 3.48Å; P211-S213 PolarHBondContact O-N 3Å; P211-S213 VanDerWaalsContact O-N 3.13Å; P211-L214 HydrophobicContact CG-CB 4.06Å; P211-L214 VanDerWaalsContact O-CB 3.24Å; P211-L214 WeakPolarHBondContact O-CB 3.39Å; P211-L214 PolarHBondContact O-N 2.66Å; P211-A222 HydrophobicContact CG-CB 4.17Å; P211-Y258 VanDerWaalsContact CD-CE1 3.48Å; P211-Y258 VanDerWaalsContact CD-CZ 3.44Å; P211-Y258 HydrophobicContact CG-CE1 4.12Å; P211-Y258 HydrophobicContact CG-CE2 3.76Å; P211-Y258 WeakPolarHBondContact CG-OH 3.49Å
212A72.4Confident76.2Confident63 Ų6347.5 Ų47.552%0.52125%0.252SS..Hα-helixtrans-58.1-27.5176.800000112.7L214 D215 D216A212-L214 PolarHBondContact O-N 2.98Å; A212-D215 PolarHBondContact O-N 3.37Å; A212-D215 VanDerWaalsContact O-N 3.09Å; A212-D216 PolarHBondContact O-N 3.42Å
213S76.9Confident77Confident29 Ų2944.7 Ų44.720%0.20324%0.238CC..Hα-helixtrans-62.2-26.5173.353.70000113.4P211 L217 G218P211-S213 PolarHBondContact O-N 3Å; P211-S213 VanDerWaalsContact O-N 3.13Å; S213-L217 CarbonylContact O-C 3.56Å; S213-L217 WeakPolarHBondContact O-CA 3.38Å; S213-L217 WeakPolarHBondContact O-CB 3.48Å; S213-L217 PolarHBondContact O-N 2.81Å; S213-G218 PolarHBondContact O-N 3.33Å
214L81.8Confident78.2Confident0 Ų042.7 Ų42.70%023%0.233CC..Hα-helixtrans-67.7-45.6172-171.964.9000110.4R210 P211 A212 G218 L219 A222 R248 E254 Y258R210-L214 HydrophobicContact CG-CD2 4.08Å; P211-L214 HydrophobicContact CG-CB 4.06Å; P211-L214 VanDerWaalsContact O-CB 3.24Å; P211-L214 WeakPolarHBondContact O-CB 3.39Å; P211-L214 PolarHBondContact O-N 2.66Å; A212-L214 PolarHBondContact O-N 2.98Å; L214-G218 WeakPolarHBondContact O-CA 3.3Å; L214-G218 PolarHBondContact O-N 3.48Å; L214-G218 VanDerWaalsContact O-N 3.15Å; L214-L219 HydrophobicContact CD1-CD2 3.69Å; L214-L219 HydrophobicContact CD1-CG 4.17Å; L214-A222 HydrophobicContact CB-CB 3.93Å; L214-A222 HydrophobicContact CD1-CB 3.86Å; L214-R248 PolarHBondContact O-NH1 2.97Å; L214-R248 PolarHBondContact O-NH2 3.38Å; L214-E254 HydrophobicContact CD1-CB 4.04Å; L214-E254 HydrophobicContact CG-CB 4.42Å; L214-Y258 HydrophobicContact CD2-CG 4.14Å
215D77.1Confident79.2Confident70 Ų7043.6 Ų43.637%0.37424%0.241SC..Hα-helixtrans-64-53.3177.5-72.3-47000111R210 A212 R248R210-D215 IonicContact CZ-OD1 3.87Å; R210-D215 IonicContact CZ-OD2 2.91Å; R210-D215 VanDerWaalsContact NH1-CG 3.26Å; R210-D215 IonicContact NH1-OD1 2.79Å; R210-D215 PolarHBondContact NH1-OD1 3.11Å; R210-D215 IonicContact NH1-OD2 2.69Å; R210-D215 PolarHBondContact NH1-OD2 3.15Å; R210-D215 VanDerWaalsContact NH1-OD2 3.1Å; R210-D215 IonicContact NH2-OD1 3.07Å; R210-D215 PolarHBondContact NH2-OD1 3.15Å; A212-D215 PolarHBondContact O-N 3.37Å; A212-D215 VanDerWaalsContact O-N 3.09Å; D215-R248 PolarHBondContact O-NH1 2.85Å; D215-R248 PolarHBondContact O-NH2 3.42Å
216D81.4Confident80.2Confident125 Ų12543.3 Ų43.367%0.66824%0.239SC*.Hα-helixtrans-78.4-36-170.6-64.8-28.4000113.6A212A212-D216 PolarHBondContact O-N 3.42Å
217L85.2Confident81.6Confident119 Ų11941.3 Ų41.362%0.62322%0.224SC*.Hα-helixtrans-125.3-17.6-166.5-55.9175.7000114.1S213 A221S213-L217 CarbonylContact O-C 3.56Å; S213-L217 WeakPolarHBondContact O-CA 3.38Å; S213-L217 WeakPolarHBondContact O-CB 3.48Å; S213-L217 PolarHBondContact O-N 2.81Å; L217-A221 HydrophobicContact CB-CB 3.44Å; L217-A221 VanDerWaalsContact CB-CB 3.44Å; L217-A221 HydrophobicContact CD1-CB 4.01Å; L217-A221 HydrophobicContact CG-CB 4.39Å
218G88.7Confident83Confident1 Ų146.9 Ų46.91%0.0125%0.248CC..  trans90.8-177.6175.700000114.3S213 L214 E220 A221 A222 R248S213-G218 PolarHBondContact O-N 3.33Å; L214-G218 WeakPolarHBondContact O-CA 3.3Å; L214-G218 PolarHBondContact O-N 3.48Å; L214-G218 VanDerWaalsContact O-N 3.15Å; G218-E220 PolarHBondContact O-N 2.93Å; G218-A221 PolarHBondContact O-N 2.81Å; G218-A222 PolarHBondContact O-N 3.25Å; G218-R248 VanDerWaalsContact CA-CZ 3.43Å
219L92Very high83.9Confident0 Ų044.6 Ų44.60%024%0.238CC..Hα-helixtrans-53.4-48-170.4-73.7169000113.8L214 A221 A222 F223 I244 F249 E254 V257 L288L214-L219 HydrophobicContact CD1-CD2 3.69Å; L214-L219 HydrophobicContact CD1-CG 4.17Å; L219-A221 VanDerWaalsContact C-N 3.31Å; L219-A221 PolarHBondContact O-N 3.01Å; L219-A222 PolarHBondContact O-N 3.03Å; L219-F223 HydrophobicContact CB-CD2 4.13Å; L219-F223 HydrophobicContact CB-CE2 4.13Å; L219-F223 HydrophobicContact CD2-CD2 4.3Å; L219-F223 HydrophobicContact CD2-CE2 3.57Å; L219-F223 HydrophobicContact CD2-CZ 4.22Å; L219-F223 HydrophobicContact CG-CE2 4.39Å; L219-F223 WeakPolarHBondContact O-CB 3.29Å; L219-F223 WeakPolarHBondContact O-CD2 3.04Å; L219-F223 PolarHBondContact O-N 3Å; L219-I244 HydrophobicContact CB-CD1 3.81Å; L219-I244 HydrophobicContact CD1-CD1 4.06Å; L219-F249 HydrophobicContact CD1-CD2 3.82Å; L219-F249 HydrophobicContact CD1-CE2 4.13Å; L219-E254 HydrophobicContact CD1-CB 4.49Å; L219-E254 HydrophobicContact CD1-CG 4.11Å; L219-E254 HydrophobicContact CD2-CB 4.12Å; L219-E254 WeakPolarHBondContact CD2-O 3.3Å; L219-E254 HydrophobicContact CG-CB 4.09Å; L219-E254 HydrophobicContact CG-CG 3.95Å; L219-V257 HydrophobicContact CD1-CB 4.26Å; L219-V257 HydrophobicContact CD1-CG1 4.15Å; L219-V257 HydrophobicContact CD2-CB 3.99Å; L219-V257 HydrophobicContact CD2-CG1 3.98Å; L219-L288 HydrophobicContact CD1-CD2 3.97Å
220E93.2Very high84.8Confident26 Ų2641.8 Ų41.812%0.12122%0.222CC..Hα-helixtrans-58.8-42.3-175.6179.868.3-170.400112.3G218 K224 Y240 S242G218-E220 PolarHBondContact O-N 2.93Å; E220-K224 WeakPolarHBondContact O-CG 3.36Å; E220-K224 PolarHBondContact O-N 3.03Å; E220-K224 WeakPolarHBondContact OE1-CE 3.3Å; E220-K224 IonicContact OE1-NZ 3.49Å; E220-K224 PolarHBondContact OE1-NZ 3.43Å; E220-Y240 WeakPolarHBondContact OE2-CE1 3.43Å; E220-Y240 PolarHBondContact OE2-OH 2.87Å; E220-S242 WeakPolarHBondContact OE2-CB 3.34Å; E220-S242 PolarHBondContact OE2-OG 3.08Å
221A90.5Very high85.8Confident31 Ų3141.1 Ų41.126%0.25622%0.223SC..Hα-helixtrans-74.6-41.9179.100000111.4L217 G218 L219 S225L217-A221 HydrophobicContact CB-CB 3.44Å; L217-A221 VanDerWaalsContact CB-CB 3.44Å; L217-A221 HydrophobicContact CD1-CB 4.01Å; L217-A221 HydrophobicContact CG-CB 4.39Å; G218-A221 PolarHBondContact O-N 2.81Å; L219-A221 VanDerWaalsContact C-N 3.31Å; L219-A221 PolarHBondContact O-N 3.01Å; A221-S225 PolarHBondContact O-N 2.98Å; A221-S225 VanDerWaalsContact O-N 3.16Å
222A89Confident86.4Confident1 Ų147 Ų471%0.00825%0.249CC..Hα-helixtrans-58.7-48.1176.800000111.7P211 L214 G218 L219 S225 Y226 Y258P211-A222 HydrophobicContact CG-CB 4.17Å; L214-A222 HydrophobicContact CB-CB 3.93Å; L214-A222 HydrophobicContact CD1-CB 3.86Å; G218-A222 PolarHBondContact O-N 3.25Å; L219-A222 PolarHBondContact O-N 3.03Å; A222-S225 PolarHBondContact O-N 2.74Å; A222-Y226 WeakPolarHBondContact O-CB 3.47Å; A222-Y226 PolarHBondContact O-N 3.05Å; A222-Y258 HydrophobicContact CB-CD2 4.18Å; A222-Y258 HydrophobicContact CB-CE2 4.07Å
223F93.2Very high86.7Confident0 Ų048.1 Ų48.10%025%0.247CC..Hα-helixtrans-68.1-41-179.7-78.7-51.8000113.6L219 S225 Y226 F227 V257 Y258 V261 I281L219-F223 HydrophobicContact CB-CD2 4.13Å; L219-F223 HydrophobicContact CB-CE2 4.13Å; L219-F223 HydrophobicContact CD2-CD2 4.3Å; L219-F223 HydrophobicContact CD2-CE2 3.57Å; L219-F223 HydrophobicContact CD2-CZ 4.22Å; L219-F223 HydrophobicContact CG-CE2 4.39Å; L219-F223 WeakPolarHBondContact O-CB 3.29Å; L219-F223 WeakPolarHBondContact O-CD2 3.04Å; L219-F223 PolarHBondContact O-N 3Å; F223-S225 VanDerWaalsContact C-N 3.28Å; F223-S225 PolarHBondContact O-N 3.39Å; F223-Y226 HydrophobicContact CD1-CD1 4.43Å; F223-Y226 PolarHBondContact O-N 2.87Å; F223-F227 HydrophobicContact CB-CD2 4.23Å; F223-F227 HydrophobicContact CB-CE1 4.39Å; F223-F227 HydrophobicContact CB-CE2 3.57Å; F223-F227 HydrophobicContact CB-CZ 3.66Å; F223-F227 AromaticContact CD1-CE1 3.7Å; F223-F227 HydrophobicContact CD1-CE1 3.7Å; F223-F227 HydrophobicContact CD1-CE2 4.22Å; F223-F227 AromaticContact CD1-CZ 3.39Å; F223-F227 HydrophobicContact CD1-CZ 3.39Å; F223-F227 HydrophobicContact CE1-CE1 4.46Å; F223-F227 HydrophobicContact CE1-CZ 4.23Å; F223-F227 HydrophobicContact CG-CE1 4.41Å; F223-F227 HydrophobicContact CG-CE2 4.12Å; F223-F227 AromaticContact CG-CZ 3.72Å; F223-F227 HydrophobicContact CG-CZ 3.72Å; F223-F227 WeakPolarHBondContact O-CB 3.41Å; F223-F227 WeakPolarHBondContact O-CD2 3.32Å; F223-F227 WeakPolarHBondContact O-CG 3.44Å; F223-F227 PolarHBondContact O-N 3.38Å; F223-V257 HydrophobicContact CE2-CG1 3.96Å; F223-V257 HydrophobicContact CZ-CG1 4.01Å; F223-Y258 HydrophobicContact CD1-CD2 4.18Å; F223-Y258 HydrophobicContact CD1-CE2 4.38Å; F223-Y258 AromaticContact CE1-CD2 3.8Å; F223-Y258 HydrophobicContact CE1-CD2 3.8Å; F223-Y258 HydrophobicContact CE1-CE2 4.34Å; F223-Y258 HydrophobicContact CZ-CD2 4.17Å; F223-V261 HydrophobicContact CD1-CG1 4.1Å; F223-V261 HydrophobicContact CE1-CB 3.57Å; F223-V261 HydrophobicContact CE1-CG1 3.44Å; F223-V261 VanDerWaalsContact CE1-CG1 3.44Å; F223-V261 HydrophobicContact CE1-CG2 4.16Å; F223-V261 HydrophobicContact CZ-CB 3.7Å; F223-V261 HydrophobicContact CZ-CG1 3.95Å; F223-V261 HydrophobicContact CZ-CG2 3.8Å; F223-I281 HydrophobicContact CD2-CD1 3.26Å; F223-I281 HydrophobicContact CE2-CD1 3.04Å; F223-I281 HydrophobicContact CG-CD1 4.09Å; F223-I281 HydrophobicContact CZ-CD1 3.73Å
224K91.9Very high86.9Confident107 Ų10751.8 Ų51.847%0.46526%0.257SS..Hα-helixtrans-58.3-42.3174.5-80.4176.9178159.60112.5E220 K228 Y240E220-K224 WeakPolarHBondContact O-CG 3.36Å; E220-K224 PolarHBondContact O-N 3.03Å; E220-K224 WeakPolarHBondContact OE1-CE 3.3Å; E220-K224 IonicContact OE1-NZ 3.49Å; E220-K224 PolarHBondContact OE1-NZ 3.43Å; K224-K228 WeakPolarHBondContact O-CB 3.25Å; K224-K228 PolarHBondContact O-N 3.21Å; K224-Y240 HydrophobicContact CG-CD1 4.33Å; K224-Y240 HydrophobicContact CG-CE1 4.27Å
225S87.2Confident87Confident47 Ų4754.8 Ų54.833%0.32929%0.288SS..Hα-helixtrans-66.7-45.4176.3-169.50000111.2A221 A222 F223 Q229A221-S225 PolarHBondContact O-N 2.98Å; A221-S225 VanDerWaalsContact O-N 3.16Å; A222-S225 PolarHBondContact O-N 2.74Å; F223-S225 VanDerWaalsContact C-N 3.28Å; F223-S225 PolarHBondContact O-N 3.39Å; S225-Q229 PolarHBondContact O-N 3.27Å
226Y88.9Confident87.6Confident14 Ų1452 Ų526%0.05527%0.273CS..Hα-helixtrans-62.6-48.4-179.3175.1-129.5000112V207 A222 F223 Q229 F230 Q262 I265V207-Y226 HydrophobicContact CG1-CD2 3.29Å; V207-Y226 HydrophobicContact CG1-CE2 4.13Å; V207-Y226 HydrophobicContact CG1-CG 4.08Å; A222-Y226 WeakPolarHBondContact O-CB 3.47Å; A222-Y226 PolarHBondContact O-N 3.05Å; F223-Y226 HydrophobicContact CD1-CD1 4.43Å; F223-Y226 PolarHBondContact O-N 2.87Å; Y226-Q229 PolarHBondContact O-N 2.92Å; Y226-F230 HydrophobicContact CE2-CD2 4.05Å; Y226-F230 AromaticContact CZ-CD2 3.92Å; Y226-F230 WeakPolarHBondContact O-CB 3.43Å; Y226-F230 PolarHBondContact O-N 2.9Å; Y226-Q262 HydrophobicContact CE1-CB 4.24Å; Y226-Q262 HydrophobicContact CE1-CG 4.2Å; Y226-Q262 HydrophobicContact CE2-CG 4.46Å; Y226-Q262 WeakPolarHBondContact OH-CG 3.45Å; Y226-I265 HydrophobicContact CE1-CD1 4.05Å
227F93.3Very high88.3Confident7 Ų751.2 Ų51.23%0.03126%0.264CS..Hα-helixtrans-64.3-45.8-177.8-58.7-25.3000111.5F223 Q229 F230 E231 I238 Y240 V261 I265 V279F223-F227 HydrophobicContact CB-CD2 4.23Å; F223-F227 HydrophobicContact CB-CE1 4.39Å; F223-F227 HydrophobicContact CB-CE2 3.57Å; F223-F227 HydrophobicContact CB-CZ 3.66Å; F223-F227 AromaticContact CD1-CE1 3.7Å; F223-F227 HydrophobicContact CD1-CE1 3.7Å; F223-F227 HydrophobicContact CD1-CE2 4.22Å; F223-F227 AromaticContact CD1-CZ 3.39Å; F223-F227 HydrophobicContact CD1-CZ 3.39Å; F223-F227 HydrophobicContact CE1-CE1 4.46Å; F223-F227 HydrophobicContact CE1-CZ 4.23Å; F223-F227 HydrophobicContact CG-CE1 4.41Å; F223-F227 HydrophobicContact CG-CE2 4.12Å; F223-F227 AromaticContact CG-CZ 3.72Å; F223-F227 HydrophobicContact CG-CZ 3.72Å; F223-F227 WeakPolarHBondContact O-CB 3.41Å; F223-F227 WeakPolarHBondContact O-CD2 3.32Å; F223-F227 WeakPolarHBondContact O-CG 3.44Å; F223-F227 PolarHBondContact O-N 3.38Å; F227-Q229 VanDerWaalsContact C-N 3.27Å; F227-Q229 PolarHBondContact O-N 2.97Å; F227-F230 WeakPolarHBondContact O-CB 3.47Å; F227-F230 PolarHBondContact O-N 3.23Å; F227-F230 VanDerWaalsContact O-N 3.09Å; F227-E231 VanDerWaalsContact O-CG 3.27Å; F227-E231 WeakPolarHBondContact O-CG 3.4Å; F227-E231 PolarHBondContact O-N 3.02Å; F227-I238 HydrophobicContact CB-CB 4.16Å; F227-I238 HydrophobicContact CB-CD1 3.86Å; F227-I238 HydrophobicContact CB-CG2 4.04Å; F227-I238 HydrophobicContact CD1-CD1 3.75Å; F227-I238 HydrophobicContact CD1-CG2 4.07Å; F227-I238 HydrophobicContact CD2-CG2 3.9Å; F227-I238 HydrophobicContact CE2-CG2 4.4Å; F227-I238 HydrophobicContact CG-CB 4.37Å; F227-I238 HydrophobicContact CG-CD1 4.02Å; F227-I238 HydrophobicContact CG-CG2 3.72Å; F227-Y240 HydrophobicContact CD2-CD1 4.24Å; F227-Y240 HydrophobicContact CD2-CD2 4.18Å; F227-Y240 AromaticContact CD2-CG 3.81Å; F227-Y240 HydrophobicContact CD2-CG 3.81Å; F227-Y240 HydrophobicContact CE2-CD1 4.1Å; F227-Y240 AromaticContact CE2-CD2 3.4Å; F227-Y240 HydrophobicContact CE2-CD2 3.4Å; F227-Y240 VanDerWaalsContact CE2-CD2 3.4Å; F227-Y240 AromaticContact CE2-CE2 3.86Å; F227-Y240 HydrophobicContact CE2-CE2 3.86Å; F227-Y240 AromaticContact CE2-CG 3.52Å; F227-Y240 HydrophobicContact CE2-CG 3.52Å; F227-Y240 HydrophobicContact CZ-CD2 4.32Å; F227-V261 HydrophobicContact CE1-CG1 4.11Å; F227-V261 HydrophobicContact CZ-CG1 4.08Å; F227-I265 HydrophobicContact CD1-CD1 3.84Å; F227-I265 HydrophobicContact CE1-CD1 3.29Å; F227-I265 HydrophobicContact CZ-CD1 4.19Å; F227-V279 HydrophobicContact CE2-CB 4.35Å; F227-V279 HydrophobicContact CE2-CG1 4.12Å; F227-V279 HydrophobicContact CZ-CB 4.21Å; F227-V279 HydrophobicContact CZ-CG1 3.71Å; F227-V279 HydrophobicContact CZ-CG2 4.29Å
228K89.7Confident88.8Confident125 Ų12546.2 Ų46.254%0.54324%0.237SC..Hα-helixtrans-53-48.2176.8-179.4-177.9171.4-171.80111.7K224 E231 E232K224-K228 WeakPolarHBondContact O-CB 3.25Å; K224-K228 PolarHBondContact O-N 3.21Å; K228-E231 PolarHBondContact O-N 3.33Å; K228-E232 WeakPolarHBondContact CE-OE1 3.31Å; K228-E232 IonicContact NZ-OE1 2.69Å; K228-E232 WeakPolarHBondContact O-CG 3.45Å; K228-E232 PolarHBondContact O-N 3.47Å
229Q82.4Confident89.3Confident18 Ų1848.8 Ų48.88%0.08425%0.25CS..Hα-helixtrans-69-37.1-179.8-174.8-177.87200112.3N204 S225 Y226 F227 E232 N233N204-Q229 VanDerWaalsContact CA-NE2 3.31Å; N204-Q229 WeakPolarHBondContact OD1-CG 3.44Å; N204-Q229 PolarHBondContact OD1-NE2 2.95Å; S225-Q229 PolarHBondContact O-N 3.27Å; Y226-Q229 PolarHBondContact O-N 2.92Å; F227-Q229 VanDerWaalsContact C-N 3.27Å; F227-Q229 PolarHBondContact O-N 2.97Å; Q229-E232 PolarHBondContact O-N 2.86Å; Q229-N233 WeakPolarHBondContact O-CB 3.16Å; Q229-N233 VanDerWaalsContact O-CG 3.25Å; Q229-N233 PolarHBondContact O-N 3.07Å; Q229-N233 PolarHBondContact O-ND2 2.93Å
230F85.8Confident89.5Confident7 Ų751 Ų513%0.03126%0.259CS..Hα-helixtrans-63.4-42.7175.4-165.4-84.3000111.6Y226 F227 N233 Y234 I238 I265 L269Y226-F230 HydrophobicContact CE2-CD2 4.05Å; Y226-F230 AromaticContact CZ-CD2 3.92Å; Y226-F230 WeakPolarHBondContact O-CB 3.43Å; Y226-F230 PolarHBondContact O-N 2.9Å; F227-F230 WeakPolarHBondContact O-CB 3.47Å; F227-F230 PolarHBondContact O-N 3.23Å; F227-F230 VanDerWaalsContact O-N 3.09Å; F230-N233 PolarHBondContact O-N 3Å; F230-Y234 AromaticContact CD1-CD2 3.92Å; F230-Y234 HydrophobicContact CD1-CD2 3.92Å; F230-Y234 AromaticContact CD2-CD2 3.72Å; F230-Y234 HydrophobicContact CD2-CD2 3.72Å; F230-Y234 AromaticContact CD2-CE2 3.7Å; F230-Y234 HydrophobicContact CD2-CE2 3.7Å; F230-Y234 AromaticContact CE1-CD2 3.83Å; F230-Y234 HydrophobicContact CE1-CD2 3.83Å; F230-Y234 HydrophobicContact CE1-CG 4.43Å; F230-Y234 AromaticContact CE2-CD2 3.62Å; F230-Y234 HydrophobicContact CE2-CD2 3.62Å; F230-Y234 AromaticContact CE2-CE2 3.54Å; F230-Y234 HydrophobicContact CE2-CE2 3.54Å; F230-Y234 AromaticContact CG-CD2 3.88Å; F230-Y234 HydrophobicContact CG-CD2 3.88Å; F230-Y234 HydrophobicContact CG-CE2 4.3Å; F230-Y234 AromaticContact CZ-CD2 3.68Å; F230-Y234 HydrophobicContact CZ-CD2 3.68Å; F230-Y234 HydrophobicContact CZ-CE2 4.02Å; F230-Y234 HydrophobicContact CZ-CG 4.41Å; F230-Y234 WeakPolarHBondContact O-CD2 3.38Å; F230-Y234 PolarHBondContact O-N 3.29Å; F230-I238 HydrophobicContact CB-CD1 4Å; F230-I238 HydrophobicContact CD1-CD1 3.72Å; F230-I238 HydrophobicContact CG-CD1 4.09Å; F230-I265 HydrophobicContact CD1-CG2 3.94Å; F230-I265 HydrophobicContact CD2-CG2 4.08Å; F230-I265 HydrophobicContact CE1-CG2 3.53Å; F230-I265 HydrophobicContact CE2-CG2 3.69Å; F230-I265 HydrophobicContact CG-CG2 4.19Å; F230-I265 HydrophobicContact CZ-CG2 3.38Å; F230-L269 HydrophobicContact CE1-CB 4.42Å; F230-L269 HydrophobicContact CE1-CD2 4.39Å; F230-L269 HydrophobicContact CE2-CD2 4.18Å; F230-L269 HydrophobicContact CZ-CB 3.86Å; F230-L269 HydrophobicContact CZ-CD2 3.58Å; F230-L269 HydrophobicContact CZ-CG 4.23Å
231E90.3Very high89.7Confident68 Ų6853.8 Ų53.832%0.31828%0.278SS..Hα-helixtrans-60.9-45174.4-63.7-176.9127.600111.1F227 K228 G235 I236 K237 I238F227-E231 VanDerWaalsContact O-CG 3.27Å; F227-E231 WeakPolarHBondContact O-CG 3.4Å; F227-E231 PolarHBondContact O-N 3.02Å; K228-E231 PolarHBondContact O-N 3.33Å; E231-G235 WeakPolarHBondContact O-CA 3.29Å; E231-G235 PolarHBondContact O-N 3.33Å; E231-I236 VanDerWaalsContact CA-O 3.28Å; E231-I236 WeakPolarHBondContact CA-O 3.18Å; E231-I236 WeakPolarHBondContact CB-O 3.47Å; E231-I236 VanDerWaalsContact CG-O 3.24Å; E231-I236 WeakPolarHBondContact CG-O 3.1Å; E231-K237 WeakPolarHBondContact OE1-CA 3.19Å; E231-I238 HydrophobicContact CG-CB 4.23Å; E231-I238 HydrophobicContact CG-CD1 4.44Å; E231-I238 HydrophobicContact CG-CG1 4.15Å; E231-I238 PolarHBondContact OE1-N 3.44Å
232E84.2Confident90Very high128 Ų12854.4 Ų54.460%0.59828%0.281SS*.Hα-helixtrans-63-40.1178.1-74.4168.8173.300112.6K228 Q229K228-E232 WeakPolarHBondContact CE-OE1 3.31Å; K228-E232 IonicContact NZ-OE1 2.69Å; K228-E232 WeakPolarHBondContact O-CG 3.45Å; K228-E232 PolarHBondContact O-N 3.47Å; Q229-E232 PolarHBondContact O-N 2.86Å
233N77.3Confident90.3Very high88 Ų8858.8 Ų58.847%0.47130%0.304SS..Hα-helixtrans-79-35.8-175.8-73-14.2000113.9Q229 F230Q229-N233 WeakPolarHBondContact O-CB 3.16Å; Q229-N233 VanDerWaalsContact O-CG 3.25Å; Q229-N233 PolarHBondContact O-N 3.07Å; Q229-N233 PolarHBondContact O-ND2 2.93Å; F230-N233 PolarHBondContact O-N 3Å
234Y81.3Confident90.3Very high106 Ų10658.9 Ų58.942%0.41630%0.304SS..Hα-helixtrans-115.4-9.8-170.5-60.1-70.3000114.5F230 I236 L269F230-Y234 AromaticContact CD1-CD2 3.92Å; F230-Y234 HydrophobicContact CD1-CD2 3.92Å; F230-Y234 AromaticContact CD2-CD2 3.72Å; F230-Y234 HydrophobicContact CD2-CD2 3.72Å; F230-Y234 AromaticContact CD2-CE2 3.7Å; F230-Y234 HydrophobicContact CD2-CE2 3.7Å; F230-Y234 AromaticContact CE1-CD2 3.83Å; F230-Y234 HydrophobicContact CE1-CD2 3.83Å; F230-Y234 HydrophobicContact CE1-CG 4.43Å; F230-Y234 AromaticContact CE2-CD2 3.62Å; F230-Y234 HydrophobicContact CE2-CD2 3.62Å; F230-Y234 AromaticContact CE2-CE2 3.54Å; F230-Y234 HydrophobicContact CE2-CE2 3.54Å; F230-Y234 AromaticContact CG-CD2 3.88Å; F230-Y234 HydrophobicContact CG-CD2 3.88Å; F230-Y234 HydrophobicContact CG-CE2 4.3Å; F230-Y234 AromaticContact CZ-CD2 3.68Å; F230-Y234 HydrophobicContact CZ-CD2 3.68Å; F230-Y234 HydrophobicContact CZ-CE2 4.02Å; F230-Y234 HydrophobicContact CZ-CG 4.41Å; F230-Y234 WeakPolarHBondContact O-CD2 3.38Å; F230-Y234 PolarHBondContact O-N 3.29Å; Y234-I236 PolarHBondContact O-N 2.82Å; Y234-L269 HydrophobicContact CD1-CD1 4.12Å; Y234-L269 HydrophobicContact CD1-CD2 3.54Å; Y234-L269 HydrophobicContact CD1-CG 4.5Å; Y234-L269 HydrophobicContact CD2-CD2 3.88Å; Y234-L269 HydrophobicContact CE1-CD2 3.64Å; Y234-L269 HydrophobicContact CE2-CD2 3.97Å; Y234-L269 HydrophobicContact CG-CD1 4.11Å; Y234-L269 HydrophobicContact CG-CD2 3.66Å
235G84.7Confident90.1Very high63 Ų6360.8 Ų60.865%0.64931%0.313SS*.  trans69.515.3-179.600000114.6E231E231-G235 WeakPolarHBondContact O-CA 3.29Å; E231-G235 PolarHBondContact O-N 3.33Å
236I89Confident89.8Confident12 Ų1265.5 Ų65.56%0.06233%0.334CS..  trans-93.7138.3172.7-64.4-173.7000108.5E231 Y234 L269 I277E231-I236 VanDerWaalsContact CA-O 3.28Å; E231-I236 WeakPolarHBondContact CA-O 3.18Å; E231-I236 WeakPolarHBondContact CB-O 3.47Å; E231-I236 VanDerWaalsContact CG-O 3.24Å; E231-I236 WeakPolarHBondContact CG-O 3.1Å; Y234-I236 PolarHBondContact O-N 2.82Å; I236-L269 HydrophobicContact CD1-CB 4.14Å; I236-L269 HydrophobicContact CD1-CD1 3.38Å; I236-L269 HydrophobicContact CD1-CG 4.35Å; I236-L269 HydrophobicContact CG1-CD1 4.31Å; I236-I277 HydrophobicContact CG2-CD1 3.87Å; I236-I277 HydrophobicContact CG2-CG1 3.97Å
237K96.1Very high89.9Confident108 Ų10867.1 Ų67.147%0.4735%0.345SS..EExtended strand (participates in β ladder)trans-85.8136.2175-178.2179165.9-141.30111.7E231 N275 E276 I277E231-K237 WeakPolarHBondContact OE1-CA 3.19Å; K237-N275 PolarHBondContact N-O 3.48Å; K237-E276 HydrophobicContact CB-CG 4.49Å; K237-E276 IonicContact NZ-OE2 2.84Å; K237-E276 PolarHBondContact NZ-OE2 3.17Å; K237-E276 CarbonylContact O-C 3.56Å; K237-E276 VanDerWaalsContact O-CA 3.25Å; K237-E276 WeakPolarHBondContact O-CA 2.9Å; K237-I277 PolarHBondContact O-N 3.36Å
238I96.8Very high89.9Confident13 Ų1372.1 Ų72.17%0.06736%0.364CS..EExtended strand (participates in β ladder)trans-113.4112.1176.1-61.9175.9000109.7F227 F230 E231 Y240 I265 I277 V279F227-I238 HydrophobicContact CB-CB 4.16Å; F227-I238 HydrophobicContact CB-CD1 3.86Å; F227-I238 HydrophobicContact CB-CG2 4.04Å; F227-I238 HydrophobicContact CD1-CD1 3.75Å; F227-I238 HydrophobicContact CD1-CG2 4.07Å; F227-I238 HydrophobicContact CD2-CG2 3.9Å; F227-I238 HydrophobicContact CE2-CG2 4.4Å; F227-I238 HydrophobicContact CG-CB 4.37Å; F227-I238 HydrophobicContact CG-CD1 4.02Å; F227-I238 HydrophobicContact CG-CG2 3.72Å; F230-I238 HydrophobicContact CB-CD1 4Å; F230-I238 HydrophobicContact CD1-CD1 3.72Å; F230-I238 HydrophobicContact CG-CD1 4.09Å; E231-I238 HydrophobicContact CG-CB 4.23Å; E231-I238 HydrophobicContact CG-CD1 4.44Å; E231-I238 HydrophobicContact CG-CG1 4.15Å; E231-I238 PolarHBondContact OE1-N 3.44Å; I238-Y240 PolarHBondContact O-N 2.99Å; I238-I265 HydrophobicContact CD1-CD1 4.41Å; I238-I265 HydrophobicContact CD1-CG2 4.33Å; I238-I277 WeakPolarHBondContact CA-O 3.26Å; I238-V279 HydrophobicContact CG2-CB 4.35Å; I238-V279 HydrophobicContact CG2-CG2 3.77Å
239I97.5Very high89.9Confident55 Ų5567.5 Ų67.528%0.28234%0.344SS..EExtended strand (participates in β ladder)trans-85.2101.4171.7-60.5-174.8000108.5E276 I277 N278 V279I239-E276 HydrophobicContact CD1-CG 4.06Å; I239-E276 VanDerWaalsContact CD1-OE1 3.28Å; I239-E276 WeakPolarHBondContact CD1-OE1 3.28Å; I239-E276 VanDerWaalsContact CD1-OE2 3.32Å; I239-E276 WeakPolarHBondContact CD1-OE2 2.96Å; I239-E276 HydrophobicContact CG1-CG 4.07Å; I239-I277 PolarHBondContact N-O 2.96Å; I239-N278 WeakPolarHBondContact CB-OD1 3.33Å; I239-V279 PolarHBondContact O-N 3Å
240Y97.5Very high90.1Very high46 Ų4671.1 Ų71.118%0.1836%0.364CS..EExtended strand (participates in β ladder)trans-97.3127.7178.7179.4-129.5000113.1E220 K224 F227 I238 S242 V279 I281E220-Y240 WeakPolarHBondContact OE2-CE1 3.43Å; E220-Y240 PolarHBondContact OE2-OH 2.87Å; K224-Y240 HydrophobicContact CG-CD1 4.33Å; K224-Y240 HydrophobicContact CG-CE1 4.27Å; F227-Y240 HydrophobicContact CD2-CD1 4.24Å; F227-Y240 HydrophobicContact CD2-CD2 4.18Å; F227-Y240 AromaticContact CD2-CG 3.81Å; F227-Y240 HydrophobicContact CD2-CG 3.81Å; F227-Y240 HydrophobicContact CE2-CD1 4.1Å; F227-Y240 AromaticContact CE2-CD2 3.4Å; F227-Y240 HydrophobicContact CE2-CD2 3.4Å; F227-Y240 VanDerWaalsContact CE2-CD2 3.4Å; F227-Y240 AromaticContact CE2-CE2 3.86Å; F227-Y240 HydrophobicContact CE2-CE2 3.86Å; F227-Y240 AromaticContact CE2-CG 3.52Å; F227-Y240 HydrophobicContact CE2-CG 3.52Å; F227-Y240 HydrophobicContact CZ-CD2 4.32Å; I238-Y240 PolarHBondContact O-N 2.99Å; Y240-S242 VanDerWaalsContact CZ-CB 3.47Å; Y240-S242 VanDerWaalsContact OH-CB 3.25Å; Y240-S242 WeakPolarHBondContact OH-CB 3.38Å; Y240-S242 PolarHBondContact OH-OG 2.85Å; Y240-V279 CarbonylContact C-O 3.51Å; Y240-V279 WeakPolarHBondContact CA-O 3.41Å; Y240-V279 HydrophobicContact CD2-CB 4.2Å; Y240-V279 HydrophobicContact CD2-CG1 4.05Å; Y240-V279 HydrophobicContact CE2-CG1 4.42Å; Y240-I281 HydrophobicContact CE2-CB 4.24Å; Y240-I281 HydrophobicContact CE2-CD1 3.96Å; Y240-I281 HydrophobicContact CE2-CG1 3.98Å
241T97Very high90Very high86 Ų8673.3 Ų73.353%0.52838%0.38SS..EExtended strand (participates in β ladder)trans-125.8138.3172.860.20000110.8V279 G280 I281T241-V279 PolarHBondContact N-O 2.73Å; T241-G280 CarbonylContact O-C 3.55Å; T241-G280 WeakPolarHBondContact O-CA 3.42Å; T241-I281 PolarHBondContact O-N 2.96Å
242S96.1Very high89.6Confident44 Ų4475.2 Ų75.231%0.30839%0.392SS..EExtended strand (participates in β ladder)trans-152.9146.2-177.2162.40000113.6E220 Y240 I244 I281E220-S242 WeakPolarHBondContact OE2-CB 3.34Å; E220-S242 PolarHBondContact OE2-OG 3.08Å; Y240-S242 VanDerWaalsContact CZ-CB 3.47Å; Y240-S242 VanDerWaalsContact OH-CB 3.25Å; Y240-S242 WeakPolarHBondContact OH-CB 3.38Å; Y240-S242 PolarHBondContact OH-OG 2.85Å; S242-I244 WeakPolarHBondContact OG-CG1 2.95Å; S242-I244 PolarHBondContact OG-N 2.89Å; S242-I281 WeakPolarHBondContact CA-O 3.1Å
243N95.3Very high90Very high93 Ų9370 Ų7050%0.49737%0.369SS..SBendtrans-1145.8170.881-3.6000113.5K245 I281 R282 Q283N243-K245 VanDerWaalsContact C-N 3.35Å; N243-K245 PolarHBondContact O-N 2.83Å; N243-I281 PolarHBondContact N-O 2.86Å; N243-R282 WeakPolarHBondContact OD1-CA 3.38Å; N243-Q283 PolarHBondContact ND2-O 3.01Å; N243-Q283 PolarHBondContact OD1-N 2.84Å
244I93.3Very high90.6Very high1 Ų165.8 Ų65.81%0.00535%0.346CS..  trans-97.426.5-174.160.4156.9000113L219 S242 N246 T247 F249 I281 Q283 L288L219-I244 HydrophobicContact CB-CD1 3.81Å; L219-I244 HydrophobicContact CD1-CD1 4.06Å; S242-I244 WeakPolarHBondContact OG-CG1 2.95Å; S242-I244 PolarHBondContact OG-N 2.89Å; I244-N246 PolarHBondContact O-N 2.92Å; I244-T247 WeakPolarHBondContact O-CB 3.27Å; I244-T247 PolarHBondContact O-N 2.82Å; I244-T247 PolarHBondContact O-OG1 3.07Å; I244-F249 HydrophobicContact CB-CE2 4.22Å; I244-F249 HydrophobicContact CB-CZ 4.3Å; I244-F249 HydrophobicContact CD1-CE2 4.07Å; I244-F249 HydrophobicContact CG2-CE2 4.24Å; I244-F249 HydrophobicContact CG2-CZ 3.92Å; I244-I281 HydrophobicContact CD1-CB 4.48Å; I244-I281 HydrophobicContact CD1-CG2 3.53Å; I244-I281 HydrophobicContact CG1-CG2 4.06Å; I244-Q283 HydrophobicContact CG2-CB 3.87Å; I244-L288 HydrophobicContact CG2-CD1 3.92Å
245K87.8Confident90.9Very high148 Ų14862.4 Ų62.464%0.64334%0.336SS*.THydrogen-bonded Turntrans-60122.8-174.2-173.3179.5179.8-178.60110.8N243 T247N243-K245 VanDerWaalsContact C-N 3.35Å; N243-K245 PolarHBondContact O-N 2.83Å; K245-T247 PolarHBondContact O-N 2.89Å
246N82.2Confident91.1Very high146 Ų14660 Ų6078%0.78131%0.309SS*.THydrogen-bonded Turntrans62.416.6-176.8-53-26.8000114.8I244I244-N246 PolarHBondContact O-N 2.92Å
247T90.6Very high91.3Very high47 Ų4759.4 Ų59.429%0.28831%0.306SS..  trans-87.9137172.8-52.80000109.7I244 K245 F249I244-T247 WeakPolarHBondContact O-CB 3.27Å; I244-T247 PolarHBondContact O-N 2.82Å; I244-T247 PolarHBondContact O-OG1 3.07Å; K245-T247 PolarHBondContact O-N 2.89Å; T247-F249 HydrophobicContact CG2-CE1 3.97Å; T247-F249 HydrophobicContact CG2-CE2 3.86Å; T247-F249 HydrophobicContact CG2-CZ 3.53Å
248R92.2Very high91Very high112 Ų11254.3 Ų54.342%0.42328%0.284SS..  trans-108.9143.5170.6-66.6-53.7-56.2-116.9-1.2110.2L214 D215 G218 E254L214-R248 PolarHBondContact O-NH1 2.97Å; L214-R248 PolarHBondContact O-NH2 3.38Å; D215-R248 PolarHBondContact O-NH1 2.85Å; D215-R248 PolarHBondContact O-NH2 3.42Å; G218-R248 VanDerWaalsContact CA-CZ 3.43Å; R248-E254 IonicContact CZ-OE1 3.39Å; R248-E254 IonicContact CZ-OE2 3.85Å; R248-E254 IonicContact NE-OE1 3.55Å; R248-E254 PolarHBondContact NE-OE1 3.13Å; R248-E254 IonicContact NE-OE2 3.52Å; R248-E254 IonicContact NH2-OE1 2.64Å; R248-E254 IonicContact NH2-OE2 3.51Å; R248-E254 PolarHBondContact NH2-OE2 3.37Å
249F91.1Very high90.6Very high28 Ų2856.7 Ų56.712%0.12329%0.292CS..  trans-118.8176.5173.9-54.9-86.7000109.5L219 I244 T247 I253 E254 L288 I344L219-F249 HydrophobicContact CD1-CD2 3.82Å; L219-F249 HydrophobicContact CD1-CE2 4.13Å; I244-F249 HydrophobicContact CB-CE2 4.22Å; I244-F249 HydrophobicContact CB-CZ 4.3Å; I244-F249 HydrophobicContact CD1-CE2 4.07Å; I244-F249 HydrophobicContact CG2-CE2 4.24Å; I244-F249 HydrophobicContact CG2-CZ 3.92Å; T247-F249 HydrophobicContact CG2-CE1 3.97Å; T247-F249 HydrophobicContact CG2-CE2 3.86Å; T247-F249 HydrophobicContact CG2-CZ 3.53Å; F249-I253 HydrophobicContact CB-CB 4.36Å; F249-I253 HydrophobicContact CB-CG2 4.07Å; F249-E254 HydrophobicContact CB-CG 3.8Å; F249-E254 HydrophobicContact CD2-CG 4.42Å; F249-E254 PolarHBondContact N-OE1 2.75Å; F249-L288 HydrophobicContact CD1-CD2 4.16Å; F249-L288 HydrophobicContact CD2-CD2 3.99Å; F249-L288 HydrophobicContact CE1-CB 4.5Å; F249-L288 HydrophobicContact CE1-CD1 4.34Å; F249-L288 HydrophobicContact CE1-CD2 4.14Å; F249-L288 HydrophobicContact CE2-CD1 4.19Å; F249-L288 HydrophobicContact CE2-CD2 3.97Å; F249-L288 HydrophobicContact CG-CD2 4.08Å; F249-L288 HydrophobicContact CZ-CD1 3.83Å; F249-L288 HydrophobicContact CZ-CD2 4.05Å; F249-L288 HydrophobicContact CZ-CG 4.45Å; F249-I344 HydrophobicContact CD1-CG2 3.91Å; F249-I344 HydrophobicContact CE1-CD1 3.95Å; F249-I344 HydrophobicContact CE1-CG2 4.2Å
250D86.7Confident90.4Very high94 Ų9454.2 Ų54.250%0.50328%0.28SS..  trans-56.8140.6171-173-83.3000110.6D252 I253 E254D250-D252 PolarHBondContact O-N 3.41Å; D250-D252 WeakPolarHBondContact OD1-CB 3.47Å; D250-D252 PolarHBondContact OD1-N 3.39Å; D250-I253 HydrophobicContact CB-CB 4.36Å; D250-I253 HydrophobicContact CB-CD1 4.02Å; D250-I253 HydrophobicContact CB-CG1 4.1Å; D250-I253 WeakPolarHBondContact O-CB 3.15Å; D250-I253 PolarHBondContact O-N 3.47Å; D250-E254 WeakPolarHBondContact O-CG 3.28Å; D250-E254 PolarHBondContact O-N 3.5Å
251S82Confident90.2Very high54 Ų5452.1 Ų52.138%0.37827%0.271SS..Hα-helixtrans-56.1-34.2-176.3170.70000112.8R210 T255R210-S251 PolarHBondContact NH2-OG 2.89Å; S251-T255 WeakPolarHBondContact O-CB 3.24Å; S251-T255 PolarHBondContact O-N 2.89Å; S251-T255 PolarHBondContact O-OG1 2.94Å
252D83.6Confident89.9Confident107 Ų10749.2 Ų49.257%0.57225%0.252SS*.Hα-helixtrans-72.1-42.6178.1-68-18.9000110.5D250 E254 T255 V256 V322D250-D252 PolarHBondContact O-N 3.41Å; D250-D252 WeakPolarHBondContact OD1-CB 3.47Å; D250-D252 PolarHBondContact OD1-N 3.39Å; D252-E254 PolarHBondContact O-N 3.35Å; D252-T255 PolarHBondContact O-N 3.32Å; D252-V256 WeakPolarHBondContact O-CG2 3.47Å; D252-V256 PolarHBondContact O-N 2.66Å; D252-V322 HydrophobicContact CB-CG1 4.05Å
253I90.9Very high89.7Confident19 Ų1949.2 Ų49.210%0.09725%0.247CC..Hα-helixtrans-58.6-50.2174.2-66.3177.8000110.3F249 D250 T255 V256 V257 L288 V322 I342 I344F249-I253 HydrophobicContact CB-CB 4.36Å; F249-I253 HydrophobicContact CB-CG2 4.07Å; D250-I253 HydrophobicContact CB-CB 4.36Å; D250-I253 HydrophobicContact CB-CD1 4.02Å; D250-I253 HydrophobicContact CB-CG1 4.1Å; D250-I253 WeakPolarHBondContact O-CB 3.15Å; D250-I253 PolarHBondContact O-N 3.47Å; I253-T255 VanDerWaalsContact C-N 3.28Å; I253-T255 PolarHBondContact O-N 2.97Å; I253-V256 PolarHBondContact O-N 2.79Å; I253-V257 HydrophobicContact CG2-CG2 4.32Å; I253-V257 VanDerWaalsContact O-CG2 3.3Å; I253-V257 WeakPolarHBondContact O-CG2 3.22Å; I253-V257 PolarHBondContact O-N 2.68Å; I253-L288 HydrophobicContact CG2-CD2 3.92Å; I253-V322 HydrophobicContact CG1-CB 4.12Å; I253-V322 HydrophobicContact CG1-CG1 4.13Å; I253-I342 HydrophobicContact CD1-CG2 4.15Å; I253-I342 HydrophobicContact CG1-CG2 4.14Å; I253-I342 HydrophobicContact CG2-CD1 4.17Å; I253-I342 HydrophobicContact CG2-CG2 4.14Å; I253-I344 HydrophobicContact CD1-CG2 4.25Å
254E90.9Very high89.6Confident0 Ų045 Ų450%023%0.225CC..Hα-helixtrans-60.6-40.4179.9-66.2-173.2159.600111.6L214 L219 R248 F249 D250 D252 Y258L214-E254 HydrophobicContact CD1-CB 4.04Å; L214-E254 HydrophobicContact CG-CB 4.42Å; L219-E254 HydrophobicContact CD1-CB 4.49Å; L219-E254 HydrophobicContact CD1-CG 4.11Å; L219-E254 HydrophobicContact CD2-CB 4.12Å; L219-E254 WeakPolarHBondContact CD2-O 3.3Å; L219-E254 HydrophobicContact CG-CB 4.09Å; L219-E254 HydrophobicContact CG-CG 3.95Å; R248-E254 IonicContact CZ-OE1 3.39Å; R248-E254 IonicContact CZ-OE2 3.85Å; R248-E254 IonicContact NE-OE1 3.55Å; R248-E254 PolarHBondContact NE-OE1 3.13Å; R248-E254 IonicContact NE-OE2 3.52Å; R248-E254 IonicContact NH2-OE1 2.64Å; R248-E254 IonicContact NH2-OE2 3.51Å; R248-E254 PolarHBondContact NH2-OE2 3.37Å; F249-E254 HydrophobicContact CB-CG 3.8Å; F249-E254 HydrophobicContact CD2-CG 4.42Å; F249-E254 PolarHBondContact N-OE1 2.75Å; D250-E254 WeakPolarHBondContact O-CG 3.28Å; D250-E254 PolarHBondContact O-N 3.5Å; D252-E254 PolarHBondContact O-N 3.35Å; E254-Y258 VanDerWaalsContact O-CB 3.31Å; E254-Y258 WeakPolarHBondContact O-CB 3.43Å; E254-Y258 PolarHBondContact O-N 3.12Å
255T86.8Confident89.6Confident34 Ų3445 Ų4521%0.20923%0.225CC..Hα-helixtrans-65.2-43.3177.4-58.50000111.7R210 S251 D252 I253 Y258 R259R210-T255 PolarHBondContact NE-OG1 2.89Å; R210-T255 PolarHBondContact NH2-OG1 2.68Å; S251-T255 WeakPolarHBondContact O-CB 3.24Å; S251-T255 PolarHBondContact O-N 2.89Å; S251-T255 PolarHBondContact O-OG1 2.94Å; D252-T255 PolarHBondContact O-N 3.32Å; I253-T255 VanDerWaalsContact C-N 3.28Å; I253-T255 PolarHBondContact O-N 2.97Å; T255-Y258 PolarHBondContact O-N 3.32Å; T255-R259 HydrophobicContact CG2-CG 4.48Å; T255-R259 WeakPolarHBondContact O-CB 2.92Å; T255-R259 VanDerWaalsContact O-CG 3.28Å; T255-R259 WeakPolarHBondContact O-CG 3Å; T255-R259 PolarHBondContact O-N 2.73Å
256V88.7Confident89.6Confident12 Ų1240 Ų407%0.07321%0.206CC..Hα-helixtrans-63.1-49.3177.9169.20000110.9D252 I253 Y258 R259 V260 R318 V322 L340 I342D252-V256 WeakPolarHBondContact O-CG2 3.47Å; D252-V256 PolarHBondContact O-N 2.66Å; I253-V256 PolarHBondContact O-N 2.79Å; V256-Y258 VanDerWaalsContact C-N 3.33Å; V256-Y258 PolarHBondContact O-N 2.92Å; V256-R259 PolarHBondContact O-N 2.91Å; V256-V260 HydrophobicContact CG1-CG2 4.24Å; V256-V260 WeakPolarHBondContact O-CG2 3.43Å; V256-V260 PolarHBondContact O-N 3.01Å; V256-R318 HydrophobicContact CG1-CB 4.23Å; V256-R318 WeakPolarHBondContact CG1-O 3.4Å; V256-R318 HydrophobicContact CG2-CB 4.35Å; V256-R318 WeakPolarHBondContact CG2-O 3.49Å; V256-V322 HydrophobicContact CB-CG1 4.47Å; V256-V322 HydrophobicContact CB-CG2 4Å; V256-V322 HydrophobicContact CG1-CG2 3.82Å; V256-V322 HydrophobicContact CG2-CG1 3.81Å; V256-V322 HydrophobicContact CG2-CG2 3.97Å; V256-L340 HydrophobicContact CG1-CD2 4.49Å; V256-I342 HydrophobicContact CG1-CD1 4.14Å
257V93.5Very high90Very high1 Ų134.4 Ų34.41%0.00618%0.175CC..Hα-helixtrans-57.7-47.6178.2176.50000110.6L219 F223 I253 R259 V260 V261 I281 L288 A290 L340 I342L219-V257 HydrophobicContact CD1-CB 4.26Å; L219-V257 HydrophobicContact CD1-CG1 4.15Å; L219-V257 HydrophobicContact CD2-CB 3.99Å; L219-V257 HydrophobicContact CD2-CG1 3.98Å; F223-V257 HydrophobicContact CE2-CG1 3.96Å; F223-V257 HydrophobicContact CZ-CG1 4.01Å; I253-V257 HydrophobicContact CG2-CG2 4.32Å; I253-V257 VanDerWaalsContact O-CG2 3.3Å; I253-V257 WeakPolarHBondContact O-CG2 3.22Å; I253-V257 PolarHBondContact O-N 2.68Å; V257-R259 PolarHBondContact O-N 3.14Å; V257-V260 PolarHBondContact O-N 2.74Å; V257-V261 HydrophobicContact CG1-CG2 4.4Å; V257-V261 WeakPolarHBondContact O-CB 3.44Å; V257-V261 WeakPolarHBondContact O-CG2 3.35Å; V257-V261 PolarHBondContact O-N 2.88Å; V257-I281 HydrophobicContact CG1-CD1 4.44Å; V257-L288 HydrophobicContact CG2-CD2 3.8Å; V257-L288 HydrophobicContact CG2-CG 4.47Å; V257-A290 HydrophobicContact CG1-CB 4.03Å; V257-L340 HydrophobicContact CB-CD2 4.26Å; V257-L340 HydrophobicContact CG2-CD2 3.88Å; V257-I342 HydrophobicContact CG2-CD1 3.51Å
258Y91Very high90.1Very high1 Ų132.2 Ų32.20%0.00416%0.162CC..Hα-helixtrans-56.6-48.6177.9-172-95.5000112V207 P211 L214 A222 F223 E254 T255 V256 Q262V207-Y258 PolarHBondContact O-OH 3.13Å; P211-Y258 VanDerWaalsContact CD-CE1 3.48Å; P211-Y258 VanDerWaalsContact CD-CZ 3.44Å; P211-Y258 HydrophobicContact CG-CE1 4.12Å; P211-Y258 HydrophobicContact CG-CE2 3.76Å; P211-Y258 WeakPolarHBondContact CG-OH 3.49Å; L214-Y258 HydrophobicContact CD2-CG 4.14Å; A222-Y258 HydrophobicContact CB-CD2 4.18Å; A222-Y258 HydrophobicContact CB-CE2 4.07Å; F223-Y258 HydrophobicContact CD1-CD2 4.18Å; F223-Y258 HydrophobicContact CD1-CE2 4.38Å; F223-Y258 AromaticContact CE1-CD2 3.8Å; F223-Y258 HydrophobicContact CE1-CD2 3.8Å; F223-Y258 HydrophobicContact CE1-CE2 4.34Å; F223-Y258 HydrophobicContact CZ-CD2 4.17Å; E254-Y258 VanDerWaalsContact O-CB 3.31Å; E254-Y258 WeakPolarHBondContact O-CB 3.43Å; E254-Y258 PolarHBondContact O-N 3.12Å; T255-Y258 PolarHBondContact O-N 3.32Å; V256-Y258 VanDerWaalsContact C-N 3.33Å; V256-Y258 PolarHBondContact O-N 2.92Å; Y258-Q262 VanDerWaalsContact O-CB 3.25Å; Y258-Q262 WeakPolarHBondContact O-CB 3.25Å; Y258-Q262 PolarHBondContact O-N 3.19Å
259R89Confident89.9Confident62 Ų6229.2 Ų29.223%0.23415%0.154CC..Hα-helixtrans-69.5-37.4-177.5-69.1-60.6-174-175.70.8113.6E208 T255 V256 V257 E263E208-R259 PolarHBondContact O-NH1 3.32Å; T255-R259 HydrophobicContact CG2-CG 4.48Å; T255-R259 WeakPolarHBondContact O-CB 2.92Å; T255-R259 VanDerWaalsContact O-CG 3.28Å; T255-R259 WeakPolarHBondContact O-CG 3Å; T255-R259 PolarHBondContact O-N 2.73Å; V256-R259 PolarHBondContact O-N 2.91Å; V257-R259 PolarHBondContact O-N 3.14Å; R259-E263 WeakPolarHBondContact O-CB 3.39Å; R259-E263 PolarHBondContact O-N 2.82Å
260V91.7Very high89.6Confident3 Ų333.4 Ų33.42%0.01817%0.173CC..Hα-helixtrans-67.9-45.9177.9172.70000110.5V256 V257 Q262 E263 A264 M315 V326 L340V256-V260 HydrophobicContact CG1-CG2 4.24Å; V256-V260 WeakPolarHBondContact O-CG2 3.43Å; V256-V260 PolarHBondContact O-N 3.01Å; V257-V260 PolarHBondContact O-N 2.74Å; V260-Q262 PolarHBondContact O-N 3.2Å; V260-E263 PolarHBondContact O-N 2.79Å; V260-A264 WeakPolarHBondContact O-CB 3.33Å; V260-A264 PolarHBondContact O-N 2.7Å; V260-M315 HydrophobicContact CG1-CB 4.4Å; V260-M315 HydrophobicContact CG1-CG 4.21Å; V260-M315 HydrophobicContact CG1-SD 4.32Å; V260-M315 HydrophobicContact CG2-CB 4.3Å; V260-M315 HydrophobicContact CG2-CG 4.48Å; V260-V326 HydrophobicContact CG1-CG2 4.16Å; V260-L340 HydrophobicContact CB-CD2 3.93Å; V260-L340 HydrophobicContact CG1-CB 4.12Å; V260-L340 HydrophobicContact CG1-CD2 4.11Å; V260-L340 HydrophobicContact CG2-CD2 4.12Å
261V94.9Very high89.6Confident2 Ų234.4 Ų34.41%0.01217%0.17CC..Hα-helixtrans-63.4-42.6177.6172.10000111.1F223 F227 V257 A264 I265 V279 I281 A290 V292F223-V261 HydrophobicContact CD1-CG1 4.1Å; F223-V261 HydrophobicContact CE1-CB 3.57Å; F223-V261 HydrophobicContact CE1-CG1 3.44Å; F223-V261 VanDerWaalsContact CE1-CG1 3.44Å; F223-V261 HydrophobicContact CE1-CG2 4.16Å; F223-V261 HydrophobicContact CZ-CB 3.7Å; F223-V261 HydrophobicContact CZ-CG1 3.95Å; F223-V261 HydrophobicContact CZ-CG2 3.8Å; F227-V261 HydrophobicContact CE1-CG1 4.11Å; F227-V261 HydrophobicContact CZ-CG1 4.08Å; V257-V261 HydrophobicContact CG1-CG2 4.4Å; V257-V261 WeakPolarHBondContact O-CB 3.44Å; V257-V261 WeakPolarHBondContact O-CG2 3.35Å; V257-V261 PolarHBondContact O-N 2.88Å; V261-A264 PolarHBondContact O-N 3.35Å; V261-I265 HydrophobicContact CG1-CD1 3.71Å; V261-I265 HydrophobicContact CG1-CG1 4.43Å; V261-I265 WeakPolarHBondContact O-CG1 3.41Å; V261-I265 PolarHBondContact O-N 2.79Å; V261-V279 HydrophobicContact CG1-CG1 4.08Å; V261-I281 HydrophobicContact CG2-CD1 4.44Å; V261-A290 HydrophobicContact CG2-CB 3.9Å; V261-V292 HydrophobicContact CB-CG2 4.37Å; V261-V292 HydrophobicContact CG1-CG2 4.02Å; V261-V292 HydrophobicContact CG2-CG2 4.23Å
262Q90.5Very high90Very high26 Ų2632 Ų3212%0.12115%0.153CC..Hα-helixtrans-57.8-50.2175.9-174.6-177.839.600111.9V207 E208 Y226 Y258 V260 A264 I265 L266V207-Q262 PolarHBondContact O-NE2 3.22Å; E208-Q262 PolarHBondContact O-NE2 3.45Å; Y226-Q262 HydrophobicContact CE1-CB 4.24Å; Y226-Q262 HydrophobicContact CE1-CG 4.2Å; Y226-Q262 HydrophobicContact CE2-CG 4.46Å; Y226-Q262 WeakPolarHBondContact OH-CG 3.45Å; Y258-Q262 VanDerWaalsContact O-CB 3.25Å; Y258-Q262 WeakPolarHBondContact O-CB 3.25Å; Y258-Q262 PolarHBondContact O-N 3.19Å; V260-Q262 PolarHBondContact O-N 3.2Å; Q262-A264 VanDerWaalsContact C-N 3.33Å; Q262-A264 PolarHBondContact O-N 2.86Å; Q262-I265 PolarHBondContact O-N 3.31Å; Q262-L266 WeakPolarHBondContact O-CB 3.37Å; Q262-L266 PolarHBondContact O-N 2.83Å
263E90.3Very high90.2Very high44 Ų4433.6 Ų33.621%0.20616%0.162CC..Hα-helixtrans-65.5-36.9179.2-177.172.7-157.700111.5R259 V260 L266 N267 G311 M315R259-E263 WeakPolarHBondContact O-CB 3.39Å; R259-E263 PolarHBondContact O-N 2.82Å; V260-E263 PolarHBondContact O-N 2.79Å; E263-L266 PolarHBondContact O-N 2.76Å; E263-N267 WeakPolarHBondContact O-CB 3.22Å; E263-N267 PolarHBondContact O-N 3.06Å; E263-N267 PolarHBondContact O-ND2 3.46Å; E263-G311 WeakPolarHBondContact OE1-CA 3.44Å; E263-M315 HydrophobicContact CB-CE 3.64Å; E263-M315 HydrophobicContact CB-CG 4.36Å; E263-M315 HydrophobicContact CG-CE 3.3Å; E263-M315 HydrophobicContact CG-CG 4.18Å
264A94.6Very high90.2Very high4 Ų433.7 Ų33.73%0.03316%0.163CC..Hα-helixtrans-65.9-45.1178.500000111.9V260 V261 Q262 N267 A268 V292 M315 V338V260-A264 WeakPolarHBondContact O-CB 3.33Å; V260-A264 PolarHBondContact O-N 2.7Å; V261-A264 PolarHBondContact O-N 3.35Å; Q262-A264 VanDerWaalsContact C-N 3.33Å; Q262-A264 PolarHBondContact O-N 2.86Å; A264-N267 PolarHBondContact O-N 3.31Å; A264-A268 PolarHBondContact O-N 2.9Å; A264-V292 HydrophobicContact CB-CB 3.8Å; A264-V292 HydrophobicContact CB-CG1 3.88Å; A264-V292 HydrophobicContact CB-CG2 3.9Å; A264-M315 HydrophobicContact CB-CE 3.99Å; A264-V338 HydrophobicContact CB-CB 4.13Å; A264-V338 HydrophobicContact CB-CG1 4.22Å; A264-V338 HydrophobicContact CB-CG2 4.17Å
265I93.3Very high90.3Very high0 Ų040.2 Ų40.20%020%0.198CC..Hα-helixtrans-63.3-42.7175.2-70168.4000110.9Y226 F227 F230 I238 V261 Q262 N267 A268 L269 I277 V279 V292Y226-I265 HydrophobicContact CE1-CD1 4.05Å; F227-I265 HydrophobicContact CD1-CD1 3.84Å; F227-I265 HydrophobicContact CE1-CD1 3.29Å; F227-I265 HydrophobicContact CZ-CD1 4.19Å; F230-I265 HydrophobicContact CD1-CG2 3.94Å; F230-I265 HydrophobicContact CD2-CG2 4.08Å; F230-I265 HydrophobicContact CE1-CG2 3.53Å; F230-I265 HydrophobicContact CE2-CG2 3.69Å; F230-I265 HydrophobicContact CG-CG2 4.19Å; F230-I265 HydrophobicContact CZ-CG2 3.38Å; I238-I265 HydrophobicContact CD1-CD1 4.41Å; I238-I265 HydrophobicContact CD1-CG2 4.33Å; V261-I265 HydrophobicContact CG1-CD1 3.71Å; V261-I265 HydrophobicContact CG1-CG1 4.43Å; V261-I265 WeakPolarHBondContact O-CG1 3.41Å; V261-I265 PolarHBondContact O-N 2.79Å; Q262-I265 PolarHBondContact O-N 3.31Å; I265-N267 VanDerWaalsContact C-N 3.31Å; I265-N267 PolarHBondContact O-N 2.88Å; I265-A268 PolarHBondContact O-N 3.39Å; I265-L269 PolarHBondContact O-N 3.31Å; I265-I277 HydrophobicContact CG1-CG2 4.43Å; I265-I277 HydrophobicContact CG2-CD1 4.14Å; I265-V279 HydrophobicContact CD1-CG2 3.92Å; I265-V279 HydrophobicContact CG1-CG2 4.22Å; I265-V292 HydrophobicContact CG1-CG1 3.98Å
266L88Confident90.8Very high45 Ų4542.1 Ų42.124%0.23621%0.205CC..Hα-helixtrans-63.4-37.1176.9-17662.9000112.1Q262 E263 L269 K270Q262-L266 WeakPolarHBondContact O-CB 3.37Å; Q262-L266 PolarHBondContact O-N 2.83Å; E263-L266 PolarHBondContact O-N 2.76Å; L266-L269 HydrophobicContact CD1-CD2 4.28Å; L266-K270 HydrophobicContact CG-CD 4.25Å; L266-K270 VanDerWaalsContact O-CG 3.29Å; L266-K270 WeakPolarHBondContact O-CG 3.18Å; L266-K270 PolarHBondContact O-N 3.4Å; L266-K270 VanDerWaalsContact O-N 3.09Å
267N90.6Very high91.2Very high27 Ų2741.6 Ų41.614%0.14420%0.201CC..Hα-helixtrans-67-43174.6-75.1-25.4000111.6E263 A264 I265 K270 Y271 M315E263-N267 WeakPolarHBondContact O-CB 3.22Å; E263-N267 PolarHBondContact O-N 3.06Å; E263-N267 PolarHBondContact O-ND2 3.46Å; A264-N267 PolarHBondContact O-N 3.31Å; I265-N267 VanDerWaalsContact C-N 3.31Å; I265-N267 PolarHBondContact O-N 2.88Å; N267-K270 PolarHBondContact O-N 2.94Å; N267-Y271 HydrophobicContact CB-CD2 4.14Å; N267-Y271 HydrophobicContact CB-CE2 4.39Å; N267-Y271 WeakPolarHBondContact O-CB 3.31Å; N267-Y271 WeakPolarHBondContact O-CD2 3.42Å; N267-Y271 PolarHBondContact O-N 2.76Å; N267-M315 WeakPolarHBondContact ND2-CE 3.25Å
268A92.8Very high91.5Very high2 Ų244.4 Ų44.42%0.01722%0.217CC..Hα-helixtrans-58.4-48.917400000111.1A264 I265 K270 Y271 A272 I277 D294A264-A268 PolarHBondContact O-N 2.9Å; I265-A268 PolarHBondContact O-N 3.39Å; A268-K270 VanDerWaalsContact C-N 3.28Å; A268-K270 PolarHBondContact O-N 3.34Å; A268-Y271 PolarHBondContact O-N 3.29Å; A268-A272 HydrophobicContact CB-CB 4.27Å; A268-A272 WeakPolarHBondContact O-CB 3.22Å; A268-A272 PolarHBondContact O-N 3.39Å; A268-I277 HydrophobicContact CB-CD1 3.58Å; A268-I277 HydrophobicContact CB-CG1 3.98Å; A268-D294 HydrophobicContact CB-CB 3.92Å
269L87.9Confident91.8Very high49 Ų4944.5 Ų44.526%0.25722%0.217SC..Hα-helixtrans-54.2-42.2174.8169.567.1000112.7F230 Y234 I236 I265 L266F230-L269 HydrophobicContact CE1-CB 4.42Å; F230-L269 HydrophobicContact CE1-CD2 4.39Å; F230-L269 HydrophobicContact CE2-CD2 4.18Å; F230-L269 HydrophobicContact CZ-CB 3.86Å; F230-L269 HydrophobicContact CZ-CD2 3.58Å; F230-L269 HydrophobicContact CZ-CG 4.23Å; Y234-L269 HydrophobicContact CD1-CD1 4.12Å; Y234-L269 HydrophobicContact CD1-CD2 3.54Å; Y234-L269 HydrophobicContact CD1-CG 4.5Å; Y234-L269 HydrophobicContact CD2-CD2 3.88Å; Y234-L269 HydrophobicContact CE1-CD2 3.64Å; Y234-L269 HydrophobicContact CE2-CD2 3.97Å; Y234-L269 HydrophobicContact CG-CD1 4.11Å; Y234-L269 HydrophobicContact CG-CD2 3.66Å; I236-L269 HydrophobicContact CD1-CB 4.14Å; I236-L269 HydrophobicContact CD1-CD1 3.38Å; I236-L269 HydrophobicContact CD1-CG 4.35Å; I236-L269 HydrophobicContact CG1-CD1 4.31Å; I265-L269 PolarHBondContact O-N 3.31Å; L266-L269 HydrophobicContact CD1-CD2 4.28Å
270K83.3Confident92.2Very high116 Ų11642.2 Ų42.250%0.50421%0.213SC..Hα-helixtrans-76.9-32-176.2-74.7171-178.2168.30114.3L266 N267 A268L266-K270 HydrophobicContact CG-CD 4.25Å; L266-K270 VanDerWaalsContact O-CG 3.29Å; L266-K270 WeakPolarHBondContact O-CG 3.18Å; L266-K270 PolarHBondContact O-N 3.4Å; L266-K270 VanDerWaalsContact O-N 3.09Å; N267-K270 PolarHBondContact O-N 2.94Å; A268-K270 VanDerWaalsContact C-N 3.28Å; A268-K270 PolarHBondContact O-N 3.34Å
271Y87.7Confident92.5Very high115 Ų11542.1 Ų42.145%0.45121%0.212SC..Hα-helixtrans-126.8-25.3-162.6-55.1-57.7000114.7N267 A268 N297 K306N267-Y271 HydrophobicContact CB-CD2 4.14Å; N267-Y271 HydrophobicContact CB-CE2 4.39Å; N267-Y271 WeakPolarHBondContact O-CB 3.31Å; N267-Y271 WeakPolarHBondContact O-CD2 3.42Å; N267-Y271 PolarHBondContact O-N 2.76Å; A268-Y271 PolarHBondContact O-N 3.29Å; Y271-N297 PolarHBondContact O-ND2 2.99Å; Y271-K306 PolarHBondContact OH-O 2.95Å
272A89.3Confident92.6Very high3 Ų347.3 Ų47.33%0.02523%0.232CC..THydrogen-bonded Turntrans-80.1-28.5-170.600000113.1A268 V274 D294 G296 N297A268-A272 HydrophobicContact CB-CB 4.27Å; A268-A272 WeakPolarHBondContact O-CB 3.22Å; A268-A272 PolarHBondContact O-N 3.39Å; A272-V274 HydrophobicContact CB-CB 4.42Å; A272-V274 HydrophobicContact CB-CG1 3.84Å; A272-V274 HydrophobicContact CB-CG2 3.85Å; A272-D294 HydrophobicContact CB-CB 3.89Å; A272-D294 VanDerWaalsContact CB-CG 3.47Å; A272-D294 VanDerWaalsContact CB-OD1 3.28Å; A272-D294 WeakPolarHBondContact CB-OD1 3.31Å; A272-G296 CarbonylContact O-C 3.55Å; A272-G296 WeakPolarHBondContact O-CA 3.1Å; A272-N297 PolarHBondContact O-N 2.99Å; A272-N297 PolarHBondContact O-ND2 3.1Å
273D88.8Confident92.9Very high141 Ų14149.5 Ų49.575%0.75424%0.242SC*.  trans54.754.9-171.3-165.128.2000111.7
274V91.5Very high93.1Very high21 Ų2151.2 Ų51.213%0.12726%0.255CS..  trans-123.8151.5-177-61.80000111.1A272 E276 I277 D294A272-V274 HydrophobicContact CB-CB 4.42Å; A272-V274 HydrophobicContact CB-CG1 3.84Å; A272-V274 HydrophobicContact CB-CG2 3.85Å; V274-E276 WeakPolarHBondContact CG2-O 3.23Å; V274-I277 HydrophobicContact CG2-CG1 4.02Å; V274-D294 HydrophobicContact CG1-CB 4.49Å; V274-D294 HydrophobicContact CG2-CB 4.21Å
275N93.1Very high93Very high137 Ų13753.9 Ų53.973%0.73328%0.283SS*.SBendtrans-98.6-2.7172.8-61.3-30.3000112.7K237K237-N275 PolarHBondContact N-O 3.48Å
276E96.7Very high93Very high74 Ų7463.8 Ų63.835%0.34632%0.32SS..EExtended strand (participates in β ladder)trans-143.1137.2-178.4-170.2172.992.600111.2K237 I239 V274K237-E276 HydrophobicContact CB-CG 4.49Å; K237-E276 IonicContact NZ-OE2 2.84Å; K237-E276 PolarHBondContact NZ-OE2 3.17Å; K237-E276 CarbonylContact O-C 3.56Å; K237-E276 VanDerWaalsContact O-CA 3.25Å; K237-E276 WeakPolarHBondContact O-CA 2.9Å; I239-E276 HydrophobicContact CD1-CG 4.06Å; I239-E276 VanDerWaalsContact CD1-OE1 3.28Å; I239-E276 WeakPolarHBondContact CD1-OE1 3.28Å; I239-E276 VanDerWaalsContact CD1-OE2 3.32Å; I239-E276 WeakPolarHBondContact CD1-OE2 2.96Å; I239-E276 HydrophobicContact CG1-CG 4.07Å; V274-E276 WeakPolarHBondContact CG2-O 3.23Å
277I97.6Very high93.4Very high0 Ų065.2 Ų65.20%033%0.326CS..EExtended strand (participates in β ladder)trans-127.6132.8174.3-59.3166.7000108.2I236 K237 I238 I239 I265 A268 V274 V279 V292I236-I277 HydrophobicContact CG2-CD1 3.87Å; I236-I277 HydrophobicContact CG2-CG1 3.97Å; K237-I277 PolarHBondContact O-N 3.36Å; I238-I277 WeakPolarHBondContact CA-O 3.26Å; I239-I277 PolarHBondContact N-O 2.96Å; I265-I277 HydrophobicContact CG1-CG2 4.43Å; I265-I277 HydrophobicContact CG2-CD1 4.14Å; A268-I277 HydrophobicContact CB-CD1 3.58Å; A268-I277 HydrophobicContact CB-CG1 3.98Å; V274-I277 HydrophobicContact CG2-CG1 4.02Å; I277-V279 HydrophobicContact CG2-CG2 4.23Å; I277-V292 HydrophobicContact CG2-CG1 3.77Å
278N98.1Very high93.7Very high61 Ų6164 Ų6433%0.32632%0.319SS..EExtended strand (participates in β ladder)trans-97129.7176.1-70.3-86.1000109.9I239 V292 I293I239-N278 WeakPolarHBondContact CB-OD1 3.33Å; N278-V292 CarbonylContact O-C 3.52Å; N278-V292 WeakPolarHBondContact O-CA 3.31Å; N278-I293 HydrophobicContact CB-CB 4.27Å; N278-I293 PolarHBondContact N-O 3.4Å; N278-I293 PolarHBondContact O-N 2.87Å
279V98.2Very high93.9Very high2 Ų264.6 Ų64.61%0.01232%0.323CS..EExtended strand (participates in β ladder)trans-125.8122178.5-175.30000109.5F227 I238 I239 Y240 T241 V261 I265 I277 I281 E291 V292F227-V279 HydrophobicContact CE2-CB 4.35Å; F227-V279 HydrophobicContact CE2-CG1 4.12Å; F227-V279 HydrophobicContact CZ-CB 4.21Å; F227-V279 HydrophobicContact CZ-CG1 3.71Å; F227-V279 HydrophobicContact CZ-CG2 4.29Å; I238-V279 HydrophobicContact CG2-CB 4.35Å; I238-V279 HydrophobicContact CG2-CG2 3.77Å; I239-V279 PolarHBondContact O-N 3Å; Y240-V279 CarbonylContact C-O 3.51Å; Y240-V279 WeakPolarHBondContact CA-O 3.41Å; Y240-V279 HydrophobicContact CD2-CB 4.2Å; Y240-V279 HydrophobicContact CD2-CG1 4.05Å; Y240-V279 HydrophobicContact CE2-CG1 4.42Å; T241-V279 PolarHBondContact N-O 2.73Å; V261-V279 HydrophobicContact CG1-CG1 4.08Å; I265-V279 HydrophobicContact CD1-CG2 3.92Å; I265-V279 HydrophobicContact CG1-CG2 4.22Å; I277-V279 HydrophobicContact CG2-CG2 4.23Å; V279-I281 HydrophobicContact CG1-CG1 4.44Å; V279-E291 CarbonylContact C-O 3.58Å; V279-E291 WeakPolarHBondContact CA-O 3.42Å; V279-V292 HydrophobicContact CG1-CG2 4.3Å; V279-V292 HydrophobicContact CG2-CG1 4.42Å; V279-V292 HydrophobicContact CG2-CG2 4.37Å
280G97.7Very high94.4Very high14 Ų1462.4 Ų62.414%0.14431%0.312CS..EExtended strand (participates in β ladder)trans-120.5126.9177.700000111.1T241 A290 E291T241-G280 CarbonylContact O-C 3.55Å; T241-G280 WeakPolarHBondContact O-CA 3.42Å; G280-A290 CarbonylContact O-C 3.58Å; G280-A290 WeakPolarHBondContact O-CA 3.45Å; G280-E291 PolarHBondContact N-O 3.02Å; G280-E291 PolarHBondContact O-N 3.43Å
281I97.4Very high95.1Very high1 Ų158.7 Ų58.71%0.00530%0.296CS..EExtended strand (participates in β ladder)trans-126.9114.8173.9-57.5-178.7000109.9F223 Y240 T241 S242 N243 I244 V257 V261 V279 L288 V289 A290F223-I281 HydrophobicContact CD2-CD1 3.26Å; F223-I281 HydrophobicContact CE2-CD1 3.04Å; F223-I281 HydrophobicContact CG-CD1 4.09Å; F223-I281 HydrophobicContact CZ-CD1 3.73Å; Y240-I281 HydrophobicContact CE2-CB 4.24Å; Y240-I281 HydrophobicContact CE2-CD1 3.96Å; Y240-I281 HydrophobicContact CE2-CG1 3.98Å; T241-I281 PolarHBondContact O-N 2.96Å; S242-I281 WeakPolarHBondContact CA-O 3.1Å; N243-I281 PolarHBondContact N-O 2.86Å; I244-I281 HydrophobicContact CD1-CB 4.48Å; I244-I281 HydrophobicContact CD1-CG2 3.53Å; I244-I281 HydrophobicContact CG1-CG2 4.06Å; V257-I281 HydrophobicContact CG1-CD1 4.44Å; V261-I281 HydrophobicContact CG2-CD1 4.44Å; V279-I281 HydrophobicContact CG1-CG1 4.44Å; I281-L288 HydrophobicContact CG2-CD1 4Å; I281-V289 WeakPolarHBondContact CA-O 3.5Å; I281-A290 HydrophobicContact CG1-CB 4.04Å
282R97.2Very high95.6Very high112 Ų11253.4 Ų53.442%0.42328%0.276SS..EExtended strand (participates in β ladder)trans-135.6135.1-173.961.1-174.7174.2-137.2-10.3112.8N243 V289 E291N243-R282 WeakPolarHBondContact OD1-CA 3.38Å; R282-V289 HydrophobicContact CG-CB 4.04Å; R282-V289 PolarHBondContact N-O 2.87Å; R282-V289 PolarHBondContact O-N 3.31Å; R282-E291 IonicContact CZ-OE2 3.06Å; R282-E291 IonicContact NH1-OE2 3.1Å; R282-E291 IonicContact NH2-OE2 3.89Å; R282-E291 PolarHBondContact NH2-OE2 2.88Å
283Q96.7Very high96Very high72 Ų7256.1 Ų56.134%0.33629%0.289SS..EExtended strand (participates in β ladder)trans-80.7122.7159.4-178.6175.5-3.500109N243 I244 G285 H287 I344N243-Q283 PolarHBondContact ND2-O 3.01Å; N243-Q283 PolarHBondContact OD1-N 2.84Å; I244-Q283 HydrophobicContact CG2-CB 3.87Å; Q283-G285 PolarHBondContact NE2-O 2.95Å; Q283-H287 CarbonylContact C-O 3.53Å; Q283-H287 WeakPolarHBondContact CA-O 3.33Å; Q283-I344 HydrophobicContact CG-CD1 3.62Å; Q283-I344 VanDerWaalsContact NE2-CD1 3.27Å
284T93.7Very high96.4Very high79 Ų7950 Ų5049%0.48526%0.256SS..EExtended strand (participates in β ladder)trans-123.792.8177.3-54.20000108.8R286 H287T284-R286 PolarHBondContact O-N 3.04Å; T284-H287 PolarHBondContact N-O 2.61Å; T284-H287 PolarHBondContact O-N 2.84Å
285G93Very high96.6Very high60 Ų6053.3 Ų53.362%0.61929%0.286SS*.THydrogen-bonded Turntrans66.3-120.3-175.400000112Q283 H287Q283-G285 PolarHBondContact NE2-O 2.95Å; G285-H287 VanDerWaalsContact C-N 3.3Å
286R93.9Very high96.5Very high208 Ų20847.1 Ų47.179%0.78526%0.255SS*.THydrogen-bonded Turntrans-93.725.4176.3-70.8-167.5-86.8171.8-6.8113.3T284 P343 I344T284-R286 PolarHBondContact O-N 3.04Å; R286-P343 WeakPolarHBondContact O-CA 3.5Å; R286-I344 WeakPolarHBondContact O-CG1 3.44Å; R286-I344 PolarHBondContact O-N 3.45Å
287H96.3Very high96.3Very high76 Ų7647.8 Ų47.835%0.35226%0.261SS..EExtended strand (participates in β ladder)trans-132.7142.4177.5-6485000110.9Q283 T284 G285 V289 N341 I342Q283-H287 CarbonylContact C-O 3.53Å; Q283-H287 WeakPolarHBondContact CA-O 3.33Å; T284-H287 PolarHBondContact N-O 2.61Å; T284-H287 PolarHBondContact O-N 2.84Å; G285-H287 VanDerWaalsContact C-N 3.3Å; H287-V289 HydrophobicContact CB-CG2 4.47Å; H287-N341 WeakPolarHBondContact CB-OD1 3.32Å; H287-N341 PolarHBondContact CD2-OD1 2.85Å; H287-I342 CarbonylContact C-O 3.31Å; H287-I342 VanDerWaalsContact CA-O 3.26Å; H287-I342 WeakPolarHBondContact CA-O 3.29Å
288L97Very high96Very high0 Ų048.7 Ų48.70%027%0.27CS..EExtended strand (participates in β ladder)trans-100.9122164.5-18060000108.3L219 I244 F249 I253 V257 I281 I342 I344L219-L288 HydrophobicContact CD1-CD2 3.97Å; I244-L288 HydrophobicContact CG2-CD1 3.92Å; F249-L288 HydrophobicContact CD1-CD2 4.16Å; F249-L288 HydrophobicContact CD2-CD2 3.99Å; F249-L288 HydrophobicContact CE1-CB 4.5Å; F249-L288 HydrophobicContact CE1-CD1 4.34Å; F249-L288 HydrophobicContact CE1-CD2 4.14Å; F249-L288 HydrophobicContact CE2-CD1 4.19Å; F249-L288 HydrophobicContact CE2-CD2 3.97Å; F249-L288 HydrophobicContact CG-CD2 4.08Å; F249-L288 HydrophobicContact CZ-CD1 3.83Å; F249-L288 HydrophobicContact CZ-CD2 4.05Å; F249-L288 HydrophobicContact CZ-CG 4.45Å; I253-L288 HydrophobicContact CG2-CD2 3.92Å; V257-L288 HydrophobicContact CG2-CD2 3.8Å; V257-L288 HydrophobicContact CG2-CG 4.47Å; I281-L288 HydrophobicContact CG2-CD1 4Å; L288-I342 PolarHBondContact N-O 3.22Å; L288-I342 PolarHBondContact O-N 2.75Å; L288-I344 HydrophobicContact CB-CG2 3.78Å
289V97.8Very high95.6Very high16 Ų1649 Ų4910%0.09727%0.269CS..EExtended strand (participates in β ladder)trans-116.7122.9-177.9-177.60000109.1I281 R282 H287 T339 L340I281-V289 WeakPolarHBondContact CA-O 3.5Å; R282-V289 HydrophobicContact CG-CB 4.04Å; R282-V289 PolarHBondContact N-O 2.87Å; R282-V289 PolarHBondContact O-N 3.31Å; H287-V289 HydrophobicContact CB-CG2 4.47Å; V289-T339 HydrophobicContact CG1-CG2 3.98Å; V289-L340 CarbonylContact C-O 3.51Å; V289-L340 VanDerWaalsContact CA-O 3.26Å; V289-L340 WeakPolarHBondContact CA-O 3.05Å
290A97.9Very high95Very high3 Ų352 Ų523%0.02529%0.285CS..EExtended strand (participates in β ladder)trans-114.7132.5170.800000109.5V257 V261 G280 I281 T339 L340V257-A290 HydrophobicContact CG1-CB 4.03Å; V261-A290 HydrophobicContact CG2-CB 3.9Å; G280-A290 CarbonylContact O-C 3.58Å; G280-A290 WeakPolarHBondContact O-CA 3.45Å; I281-A290 HydrophobicContact CG1-CB 4.04Å; A290-T339 CarbonylContact O-C 3.54Å; A290-T339 WeakPolarHBondContact O-CA 3.49Å; A290-L340 HydrophobicContact CB-CB 4.3Å; A290-L340 HydrophobicContact CB-CD2 4.46Å; A290-L340 PolarHBondContact N-O 3.22Å; A290-L340 PolarHBondContact O-N 3.48Å
291E98.1Very high94.3Very high37 Ų3755.4 Ų55.417%0.17331%0.305CS..EExtended strand (participates in β ladder)trans-130.7126.5-173-173.4168.9-142.200108.5V279 G280 R282 I293 N337 V338V279-E291 CarbonylContact C-O 3.58Å; V279-E291 WeakPolarHBondContact CA-O 3.42Å; G280-E291 PolarHBondContact N-O 3.02Å; G280-E291 PolarHBondContact O-N 3.43Å; R282-E291 IonicContact CZ-OE2 3.06Å; R282-E291 IonicContact NH1-OE2 3.1Å; R282-E291 IonicContact NH2-OE2 3.89Å; R282-E291 PolarHBondContact NH2-OE2 2.88Å; E291-I293 HydrophobicContact CG-CD1 3.81Å; E291-I293 HydrophobicContact CG-CG1 3.87Å; E291-N337 WeakPolarHBondContact CG-OD1 3.38Å; E291-N337 PolarHBondContact OE1-ND2 2.85Å; E291-V338 CarbonylContact C-O 3.55Å; E291-V338 WeakPolarHBondContact CA-O 3.48Å
292V98.2Very high93.4Very high5 Ų560.4 Ų60.43%0.0334%0.34CS..EExtended strand (participates in β ladder)trans-124.3118.6176.1-178.50000108.1V261 A264 I265 I277 N278 V279 V338V261-V292 HydrophobicContact CB-CG2 4.37Å; V261-V292 HydrophobicContact CG1-CG2 4.02Å; V261-V292 HydrophobicContact CG2-CG2 4.23Å; A264-V292 HydrophobicContact CB-CB 3.8Å; A264-V292 HydrophobicContact CB-CG1 3.88Å; A264-V292 HydrophobicContact CB-CG2 3.9Å; I265-V292 HydrophobicContact CG1-CG1 3.98Å; I277-V292 HydrophobicContact CG2-CG1 3.77Å; N278-V292 CarbonylContact O-C 3.52Å; N278-V292 WeakPolarHBondContact O-CA 3.31Å; V279-V292 HydrophobicContact CG1-CG2 4.3Å; V279-V292 HydrophobicContact CG2-CG1 4.42Å; V279-V292 HydrophobicContact CG2-CG2 4.37Å; V292-V338 PolarHBondContact N-O 3.09Å; V292-V338 PolarHBondContact O-N 3.26Å
293I98Very high92.3Very high59 Ų5957.8 Ų57.830%0.30334%0.338SS..EExtended strand (participates in β ladder)trans-123.1123.6-174-57.4162.8000109.4N278 E291 T336 N337N278-I293 HydrophobicContact CB-CB 4.27Å; N278-I293 PolarHBondContact N-O 3.4Å; N278-I293 PolarHBondContact O-N 2.87Å; E291-I293 HydrophobicContact CG-CD1 3.81Å; E291-I293 HydrophobicContact CG-CG1 3.87Å; I293-T336 WeakPolarHBondContact CA-O 3.47Å; I293-N337 HydrophobicContact CG1-CB 4.13Å
294D96.6Very high91.1Very high12 Ų1263.5 Ų63.56%0.06436%0.362CS..EExtended strand (participates in β ladder)trans-110.4148.7162.773.876.9000110.4A268 A272 V274 G296 G335 T336A268-D294 HydrophobicContact CB-CB 3.92Å; A272-D294 HydrophobicContact CB-CB 3.89Å; A272-D294 VanDerWaalsContact CB-CG 3.47Å; A272-D294 VanDerWaalsContact CB-OD1 3.28Å; A272-D294 WeakPolarHBondContact CB-OD1 3.31Å; V274-D294 HydrophobicContact CG1-CB 4.49Å; V274-D294 HydrophobicContact CG2-CB 4.21Å; D294-G296 VanDerWaalsContact C-N 3.34Å; D294-G296 WeakPolarHBondContact OD1-CA 3.1Å; D294-G296 PolarHBondContact OD1-N 3.02Å; D294-G335 VanDerWaalsContact O-CA 3.31Å; D294-G335 WeakPolarHBondContact O-CA 3.46Å; D294-G335 WeakPolarHBondContact OD1-CA 3.34Å; D294-T336 PolarHBondContact N-O 3.17Å; D294-T336 PolarHBondContact O-N 3Å; D294-T336 PolarHBondContact OD1-N 2.86Å; D294-T336 VanDerWaalsContact OD2-CB 3.23Å; D294-T336 WeakPolarHBondContact OD2-CB 3.5Å; D294-T336 PolarHBondContact OD2-OG1 3Å
295A94.6Very high89.9Confident91 Ų9163.3 Ų63.375%0.75236%0.362SS*.  trans-102.438.2174.600000111.1
296G92.8Very high88.4Confident8 Ų869.3 Ų69.38%0.08237%0.371CS..SBendtrans-92.8-153.2-171.700000115A272 D294 G298 G335A272-G296 CarbonylContact O-C 3.55Å; A272-G296 WeakPolarHBondContact O-CA 3.1Å; D294-G296 VanDerWaalsContact C-N 3.34Å; D294-G296 WeakPolarHBondContact OD1-CA 3.1Å; D294-G296 PolarHBondContact OD1-N 3.02Å; G296-G298 PolarHBondContact O-N 3.08Å; G296-G298 VanDerWaalsContact O-N 3.16Å; G296-G335 VanDerWaalsContact O-CA 3.26Å; G296-G335 WeakPolarHBondContact O-CA 3.33Å; G296-G335 PolarHBondContact O-N 2.94Å
297N91.8Very high86.8Confident88 Ų8862.6 Ų62.647%0.47137%0.367SS..  trans-62.4-22.3-177.6-67.2-46000114.6Y271 A272 G333Y271-N297 PolarHBondContact O-ND2 2.99Å; A272-N297 PolarHBondContact O-N 2.99Å; A272-N297 PolarHBondContact O-ND2 3.1Å; N297-G333 PolarHBondContact O-N 3.32Å
298G90.8Very high85.1Confident19 Ų1962.1 Ų62.120%0.19637%0.372CS..  trans54.6-170.1-17100000113.3G296 T330 G335G296-G298 PolarHBondContact O-N 3.08Å; G296-G298 VanDerWaalsContact O-N 3.16Å; G298-T330 WeakPolarHBondContact CA-OG1 3.4Å; G298-G335 VanDerWaalsContact CA-O 3.32Å; G298-G335 WeakPolarHBondContact CA-O 3.45Å
299F89.4Confident83.8Confident68 Ų6863 Ų6330%0.29838%0.381SS..  trans-150.9168.9173.358.7-83.4000111.7P301 L312 I328 T330 T336F299-P301 WeakPolarHBondContact O-CD 3.49Å; F299-L312 HydrophobicContact CE2-CD1 4.24Å; F299-L312 HydrophobicContact CZ-CD1 3.99Å; F299-I328 HydrophobicContact CZ-CG2 4.06Å; F299-T330 HydrophobicContact CD1-CG2 3.76Å; F299-T330 HydrophobicContact CD2-CG2 3.78Å; F299-T330 HydrophobicContact CE1-CG2 3.61Å; F299-T330 HydrophobicContact CE2-CG2 3.63Å; F299-T330 HydrophobicContact CG-CG2 3.85Å; F299-T330 HydrophobicContact CZ-CG2 3.55Å; F299-T330 PolarHBondContact N-OG1 3.49Å; F299-T330 WeakPolarHBondContact O-CG2 3.33Å; F299-T336 HydrophobicContact CE1-CG2 4.01Å
300D87.2Confident82.5Confident63 Ų6363.6 Ų63.634%0.33738%0.384SS..  trans-84.3114169172.85000108.6S302 S303 I332D300-S302 PolarHBondContact O-N 2.82Å; D300-S302 VanDerWaalsContact O-N 3.15Å; D300-S302 WeakPolarHBondContact OD1-CB 3.27Å; D300-S302 PolarHBondContact OD1-N 3.37Å; D300-S302 PolarHBondContact OD1-OG 3.02Å; D300-S302 PolarHBondContact OD2-OG 3.49Å; D300-S303 WeakPolarHBondContact O-CB 3.28Å; D300-S303 PolarHBondContact O-N 3.44Å; D300-S303 PolarHBondContact O-OG 2.93Å; D300-I332 HydrophobicContact CB-CD1 4.06Å; D300-I332 HydrophobicContact CB-CG1 4.35Å
301P81.7Confident81.5Confident87 Ų8764 Ų6457%0.56539%0.388SS*.THydrogen-bonded Turntrans-58.3-25.4179.1-21.230.7000114F299 S303 T330F299-P301 WeakPolarHBondContact O-CD 3.49Å; P301-S303 VanDerWaalsContact C-N 3.33Å; P301-T330 HydrophobicContact CG-CG2 3.72Å
302S79.7Confident80.8Confident106 Ų10664.5 Ų64.574%0.74139%0.392SS*.THydrogen-bonded Turntrans-81.8-14.4178.576.80000113.1D300D300-S302 PolarHBondContact O-N 2.82Å; D300-S302 VanDerWaalsContact O-N 3.15Å; D300-S302 WeakPolarHBondContact OD1-CB 3.27Å; D300-S302 PolarHBondContact OD1-N 3.37Å; D300-S302 PolarHBondContact OD1-OG 3.02Å; D300-S302 PolarHBondContact OD2-OG 3.49Å
303S74.4Confident79.9Confident56 Ų5666.1 Ų66.139%0.39240%0.398SS..SBendtrans-76.2152.4179.675.10000112D300 P301D300-S303 WeakPolarHBondContact O-CB 3.28Å; D300-S303 PolarHBondContact O-N 3.44Å; D300-S303 PolarHBondContact O-OG 2.93Å; P301-S303 VanDerWaalsContact C-N 3.33Å
304K70.2Confident79.1Confident193 Ų19363.7 Ų63.784%0.83939%0.387SS*.PPolyproline II helixtrans-61.2129172.1-74.7-177.4-179.3174.60109K306K304-K306 PolarHBondContact O-N 3.04Å
305P68.2Low78.8Confident74 Ų7463.1 Ų63.148%0.48138%0.384SS..PPolyproline II helixtrans-53.6136.2179.6-25.632.1000111.8G307P305-G307 PolarHBondContact O-N 2.78Å
306K61.2Low78.5Confident186 Ų18661.5 Ų61.581%0.80936%0.363SS*.SBendtrans-67.4105.5168.4-72-177.2-178.9173.70108.4Y271 K304Y271-K306 PolarHBondContact OH-O 2.95Å; K304-K306 PolarHBondContact O-N 3.04Å
307G61.5Low78.1Confident68 Ų6865 Ų6570%0.70138%0.377SS*.SBendtrans111-147.1-178.500000113P305 G309P305-G307 PolarHBondContact O-N 2.78Å; G307-G309 VanDerWaalsContact C-N 3.33Å; G307-G309 PolarHBondContact O-N 2.66Å
308S60.7Low77.8Confident66 Ų6665 Ų6546%0.46237%0.37SS..  trans-78.1-17.8-172.363.70000114.1K141 L310K141-S308 PolarHBondContact NZ-O 2.86Å; S308-L310 PolarHBondContact O-N 3.2Å; S308-L310 WeakPolarHBondContact OG-CB 3.29Å; S308-L310 WeakPolarHBondContact OG-CD1 3.5Å; S308-L310 WeakPolarHBondContact OG-CG 3.29Å; S308-L310 PolarHBondContact OG-N 2.79Å
309G69.1Low77.8Confident18 Ų1864 Ų6419%0.18636%0.361CS..SBendtrans694.7-168.700000113.8G307 Y313G307-G309 VanDerWaalsContact C-N 3.33Å; G307-G309 PolarHBondContact O-N 2.66Å; G309-Y313 PolarHBondContact O-N 3.29Å
310L70.6Confident77.8Confident29 Ų2966.8 Ų66.815%0.15238%0.375CS..Hα-helixtrans-76.4-24.8-171.9-68.4165.7000113.9M138 K141 A145 S308 G314M138-L310 HydrophobicContact CE-CD2 4.25Å; K141-L310 HydrophobicContact CB-CD1 3.68Å; K141-L310 HydrophobicContact CB-CD2 3.27Å; K141-L310 HydrophobicContact CB-CG 3.97Å; K141-L310 HydrophobicContact CD-CD1 4.23Å; K141-L310 HydrophobicContact CD-CD2 3.73Å; K141-L310 HydrophobicContact CD-CG 4.07Å; K141-L310 HydrophobicContact CG-CD1 4.35Å; K141-L310 HydrophobicContact CG-CD2 4.17Å; A145-L310 HydrophobicContact CB-CD1 4.31Å; S308-L310 PolarHBondContact O-N 3.2Å; S308-L310 WeakPolarHBondContact OG-CB 3.29Å; S308-L310 WeakPolarHBondContact OG-CD1 3.5Å; S308-L310 WeakPolarHBondContact OG-CG 3.29Å; S308-L310 PolarHBondContact OG-N 2.79Å; L310-G314 WeakPolarHBondContact O-CA 3.41Å; L310-G314 PolarHBondContact O-N 2.77Å
311G76.6Confident77.6Confident12 Ų1270.6 Ų70.612%0.12439%0.394CS..Hα-helixtrans-60.2-59.6177.400000110.9E263 Y313 G314 M315E263-G311 WeakPolarHBondContact OE1-CA 3.44Å; G311-Y313 PolarHBondContact O-N 2.9Å; G311-G314 PolarHBondContact O-N 2.96Å; G311-M315 WeakPolarHBondContact O-CG 3.06Å; G311-M315 PolarHBondContact O-N 2.78Å
312L84.4Confident77.8Confident47 Ų4767.3 Ų67.325%0.24637%0.373CS..Hα-helixtrans-61.7-45.7-179.6-53.3-170.7000112.3F299 G314 M315 N316 I328F299-L312 HydrophobicContact CE2-CD1 4.24Å; F299-L312 HydrophobicContact CZ-CD1 3.99Å; L312-G314 VanDerWaalsContact C-N 3.32Å; L312-G314 PolarHBondContact O-N 2.96Å; L312-M315 HydrophobicContact CD2-CE 4.38Å; L312-M315 HydrophobicContact CD2-SD 4.44Å; L312-M315 WeakPolarHBondContact O-CB 3.36Å; L312-M315 PolarHBondContact O-N 2.99Å; L312-N316 PolarHBondContact O-N 3.17Å; L312-N316 VanDerWaalsContact O-N 3.12Å; L312-I328 HydrophobicContact CB-CD1 4.2Å; L312-I328 HydrophobicContact CD1-CD1 4.16Å; L312-I328 HydrophobicContact CD2-CD1 3.64Å; L312-I328 HydrophobicContact CG-CD1 4.19Å
313Y79.3Confident78.4Confident38 Ų3867 Ų6715%0.14937%0.371CS..Hα-helixtrans-60.3-43.5175.8178.5-98.7000111.9M138 G309 G311 M315 N316 E317M138-Y313 HydrophobicContact CB-CD1 3.98Å; M138-Y313 HydrophobicContact CB-CE1 3.37Å; M138-Y313 HydrophobicContact CB-CE2 3.99Å; M138-Y313 HydrophobicContact CE-CD1 3.57Å; M138-Y313 HydrophobicContact CE-CD2 3.52Å; M138-Y313 HydrophobicContact CE-CE1 4.2Å; M138-Y313 HydrophobicContact CE-CE2 4.17Å; M138-Y313 HydrophobicContact CE-CG 3.17Å; M138-Y313 HydrophobicContact CG-CD1 4.46Å; M138-Y313 HydrophobicContact CG-CD2 4.29Å; M138-Y313 HydrophobicContact CG-CE1 4.16Å; M138-Y313 HydrophobicContact CG-CE2 4Å; G309-Y313 PolarHBondContact O-N 3.29Å; G311-Y313 PolarHBondContact O-N 2.9Å; Y313-M315 VanDerWaalsContact C-N 3.29Å; Y313-M315 PolarHBondContact O-N 3.48Å; Y313-N316 PolarHBondContact O-N 2.87Å; Y313-E317 HydrophobicContact CD1-CG 3.89Å; Y313-E317 HydrophobicContact CD2-CG 4.38Å; Y313-E317 HydrophobicContact CE1-CG 3.4Å; Y313-E317 VanDerWaalsContact CE1-CG 3.4Å; Y313-E317 HydrophobicContact CE2-CG 3.94Å; Y313-E317 WeakPolarHBondContact CE2-OE1 3.31Å; Y313-E317 HydrophobicContact CG-CG 4.36Å; Y313-E317 VanDerWaalsContact CZ-CG 3.43Å; Y313-E317 WeakPolarHBondContact O-CG 3.32Å; Y313-E317 PolarHBondContact O-N 2.82Å; Y313-E317 PolarHBondContact OH-OE1 3.17Å; Y313-E317 PolarHBondContact OH-OE2 2.79Å
314G81.1Confident79.2Confident8 Ų864.9 Ų64.98%0.08236%0.357CS..Hα-helixtrans-67.4-27.3177.800000113.4L310 G311 L312 R318L310-G314 WeakPolarHBondContact O-CA 3.41Å; L310-G314 PolarHBondContact O-N 2.77Å; G311-G314 PolarHBondContact O-N 2.96Å; L312-G314 VanDerWaalsContact C-N 3.32Å; L312-G314 PolarHBondContact O-N 2.96Å; G314-R318 WeakPolarHBondContact O-CB 3.3Å; G314-R318 WeakPolarHBondContact O-CD 3.31Å; G314-R318 WeakPolarHBondContact O-CG 3.34Å; G314-R318 PolarHBondContact O-N 3.49Å; G314-R318 PolarHBondContact O-NH1 2.99Å
315M89.3Confident80.4Confident0 Ų059 Ų590%034%0.34CS..Hα-helixtrans-67-48.6169.7-67.2178.7-167.600110.9V260 E263 A264 N267 G311 L312 Y313 R318 A319 V326 V338V260-M315 HydrophobicContact CG1-CB 4.4Å; V260-M315 HydrophobicContact CG1-CG 4.21Å; V260-M315 HydrophobicContact CG1-SD 4.32Å; V260-M315 HydrophobicContact CG2-CB 4.3Å; V260-M315 HydrophobicContact CG2-CG 4.48Å; E263-M315 HydrophobicContact CB-CE 3.64Å; E263-M315 HydrophobicContact CB-CG 4.36Å; E263-M315 HydrophobicContact CG-CE 3.3Å; E263-M315 HydrophobicContact CG-CG 4.18Å; A264-M315 HydrophobicContact CB-CE 3.99Å; N267-M315 WeakPolarHBondContact ND2-CE 3.25Å; G311-M315 WeakPolarHBondContact O-CG 3.06Å; G311-M315 PolarHBondContact O-N 2.78Å; L312-M315 HydrophobicContact CD2-CE 4.38Å; L312-M315 HydrophobicContact CD2-SD 4.44Å; L312-M315 WeakPolarHBondContact O-CB 3.36Å; L312-M315 PolarHBondContact O-N 2.99Å; Y313-M315 VanDerWaalsContact C-N 3.29Å; Y313-M315 PolarHBondContact O-N 3.48Å; M315-R318 PolarHBondContact O-N 3.32Å; M315-A319 WeakPolarHBondContact O-CB 3.29Å; M315-A319 PolarHBondContact O-N 2.85Å; M315-V326 HydrophobicContact CB-CG1 4.34Å; M315-V326 HydrophobicContact CB-CG2 4.31Å; M315-V338 HydrophobicContact SD-CG1 3.96Å
316N88.3Confident81.7Confident58 Ų5856.5 Ų56.531%0.3132%0.324SS..Hα-helixtrans-60.6-51.9-179.7-70.8-20.4000111.7L312 Y313 R318 A319 E320 V326L312-N316 PolarHBondContact O-N 3.17Å; L312-N316 VanDerWaalsContact O-N 3.12Å; Y313-N316 PolarHBondContact O-N 2.87Å; N316-R318 VanDerWaalsContact C-N 3.32Å; N316-R318 PolarHBondContact O-N 3.25Å; N316-A319 WeakPolarHBondContact O-CB 3.35Å; N316-A319 PolarHBondContact O-N 2.87Å; N316-A319 VanDerWaalsContact O-N 3.12Å; N316-E320 PolarHBondContact O-N 2.94Å; N316-V326 WeakPolarHBondContact OD1-CB 3.16Å
317E85.6Confident83.3Confident81 Ų8151.4 Ų51.438%0.37931%0.305SS..Hα-helixtrans-59.5-42.1-179.8-69.2-86.4140.600112.1Y313 A319 E320 L321Y313-E317 HydrophobicContact CD1-CG 3.89Å; Y313-E317 HydrophobicContact CD2-CG 4.38Å; Y313-E317 HydrophobicContact CE1-CG 3.4Å; Y313-E317 VanDerWaalsContact CE1-CG 3.4Å; Y313-E317 HydrophobicContact CE2-CG 3.94Å; Y313-E317 WeakPolarHBondContact CE2-OE1 3.31Å; Y313-E317 HydrophobicContact CG-CG 4.36Å; Y313-E317 VanDerWaalsContact CZ-CG 3.43Å; Y313-E317 WeakPolarHBondContact O-CG 3.32Å; Y313-E317 PolarHBondContact O-N 2.82Å; Y313-E317 PolarHBondContact OH-OE1 3.17Å; Y313-E317 PolarHBondContact OH-OE2 2.79Å; E317-A319 VanDerWaalsContact C-N 3.33Å; E317-A319 PolarHBondContact O-N 2.85Å; E317-E320 PolarHBondContact O-N 3.41Å; E317-L321 WeakPolarHBondContact O-CG 3.4Å; E317-L321 PolarHBondContact O-N 3.44Å
318R85.5Confident84.8Confident87 Ų8750.1 Ų50.133%0.32828%0.282SS..Hα-helixtrans-66.1-37.6178.1-72.6175.4-162.7123.4-6.8111.9V256 G314 M315 N316 L321V256-R318 HydrophobicContact CG1-CB 4.23Å; V256-R318 WeakPolarHBondContact CG1-O 3.4Å; V256-R318 HydrophobicContact CG2-CB 4.35Å; V256-R318 WeakPolarHBondContact CG2-O 3.49Å; G314-R318 WeakPolarHBondContact O-CB 3.3Å; G314-R318 WeakPolarHBondContact O-CD 3.31Å; G314-R318 WeakPolarHBondContact O-CG 3.34Å; G314-R318 PolarHBondContact O-N 3.49Å; G314-R318 PolarHBondContact O-NH1 2.99Å; M315-R318 PolarHBondContact O-N 3.32Å; N316-R318 VanDerWaalsContact C-N 3.32Å; N316-R318 PolarHBondContact O-N 3.25Å; R318-L321 WeakPolarHBondContact O-CB 3.45Å; R318-L321 PolarHBondContact O-N 2.98Å
319A90Very high86.4Confident0 Ų052.4 Ų52.40%029%0.285CS..Hα-helixtrans-63.6-43.3175.500000111.2M315 N316 E317 L321 V322 S323 G324 V326 L340M315-A319 WeakPolarHBondContact O-CB 3.29Å; M315-A319 PolarHBondContact O-N 2.85Å; N316-A319 WeakPolarHBondContact O-CB 3.35Å; N316-A319 PolarHBondContact O-N 2.87Å; N316-A319 VanDerWaalsContact O-N 3.12Å; E317-A319 VanDerWaalsContact C-N 3.33Å; E317-A319 PolarHBondContact O-N 2.85Å; A319-L321 VanDerWaalsContact C-N 3.26Å; A319-L321 PolarHBondContact O-N 2.75Å; A319-V322 CarbonylContact O-C 3.59Å; A319-V322 VanDerWaalsContact O-CG2 3.28Å; A319-V322 WeakPolarHBondContact O-CG2 3.16Å; A319-V322 PolarHBondContact O-N 3.2Å; A319-V322 VanDerWaalsContact O-N 3.08Å; A319-S323 PolarHBondContact O-N 3.32Å; A319-G324 CarbonylContact C-O 3.46Å; A319-G324 WeakPolarHBondContact O-CA 3.39Å; A319-G324 PolarHBondContact O-N 2.88Å; A319-V326 HydrophobicContact CB-CG2 3.75Å; A319-L340 HydrophobicContact CB-CD1 3.63Å
320E88.4Confident87.6Confident126 Ų12652.6 Ų52.659%0.58928%0.283SS*.Hα-helixtrans-59.8-33.7178.1-72.5179.7-169.200113N316 E317 V322 S323N316-E320 PolarHBondContact O-N 2.94Å; E317-E320 PolarHBondContact O-N 3.41Å; E320-V322 PolarHBondContact O-N 2.8Å; E320-V322 VanDerWaalsContact O-N 3.11Å; E320-S323 PolarHBondContact O-N 2.97Å
321L83.8Confident88.6Confident142 Ų14256.8 Ų56.874%0.74330%0.3SS*.THydrogen-bonded Turntrans-57.3-27.3176.4-67.5175.1000113.5E317 R318 A319E317-L321 WeakPolarHBondContact O-CG 3.4Å; E317-L321 PolarHBondContact O-N 3.44Å; R318-L321 WeakPolarHBondContact O-CB 3.45Å; R318-L321 PolarHBondContact O-N 2.98Å; A319-L321 VanDerWaalsContact C-N 3.26Å; A319-L321 PolarHBondContact O-N 2.75Å
322V86.5Confident89.2Confident19 Ų1962 Ų6212%0.11532%0.324CS..THydrogen-bonded Turntrans-113.824.9179.6-64.20000111.8D252 I253 V256 A319 E320 G324 I342D252-V322 HydrophobicContact CB-CG1 4.05Å; I253-V322 HydrophobicContact CG1-CB 4.12Å; I253-V322 HydrophobicContact CG1-CG1 4.13Å; V256-V322 HydrophobicContact CB-CG1 4.47Å; V256-V322 HydrophobicContact CB-CG2 4Å; V256-V322 HydrophobicContact CG1-CG2 3.82Å; V256-V322 HydrophobicContact CG2-CG1 3.81Å; V256-V322 HydrophobicContact CG2-CG2 3.97Å; A319-V322 CarbonylContact O-C 3.59Å; A319-V322 VanDerWaalsContact O-CG2 3.28Å; A319-V322 WeakPolarHBondContact O-CG2 3.16Å; A319-V322 PolarHBondContact O-N 3.2Å; A319-V322 VanDerWaalsContact O-N 3.08Å; E320-V322 PolarHBondContact O-N 2.8Å; E320-V322 VanDerWaalsContact O-N 3.11Å; V322-G324 PolarHBondContact O-N 2.96Å; V322-G324 VanDerWaalsContact O-N 3.11Å; V322-I342 HydrophobicContact CB-CG2 4.36Å; V322-I342 HydrophobicContact CG2-CD1 3.81Å; V322-I342 HydrophobicContact CG2-CG1 4Å; V322-I342 HydrophobicContact CG2-CG2 4.01Å
323S90.5Very high89.6Confident100 Ų10062.7 Ų62.770%0.69934%0.342SS*.THydrogen-bonded Turntrans55.724.8-176.9-54.30000114A319 E320 P343A319-S323 PolarHBondContact O-N 3.32Å; E320-S323 PolarHBondContact O-N 2.97Å; S323-P343 WeakPolarHBondContact O-CD 3.24Å; S323-P343 WeakPolarHBondContact O-CG 3.41Å
324G92.5Very high90.2Very high10 Ų1066.8 Ų66.810%0.10336%0.362CS..  trans-94.8173.7175.700000112.9A319 V322 N341A319-G324 CarbonylContact C-O 3.46Å; A319-G324 WeakPolarHBondContact O-CA 3.39Å; A319-G324 PolarHBondContact O-N 2.88Å; V322-G324 PolarHBondContact O-N 2.96Å; V322-G324 VanDerWaalsContact O-N 3.11Å; G324-N341 CarbonylContact C-O 3.56Å; G324-N341 WeakPolarHBondContact CA-O 3.48Å
325S94.9Very high90.8Very high70 Ų7066.5 Ų66.549%0.4936%0.359SS..EExtended strand (participates in β ladder)trans-135.6144.5177.2620000110.5N341S325-N341 PolarHBondContact N-O 3.01Å; S325-N341 PolarHBondContact O-N 2.74Å
326V95.4Very high91.1Very high22 Ų2267.4 Ų67.413%0.13337%0.365CS..EExtended strand (participates in β ladder)trans-110.4128170.5169.90000108.9V260 M315 N316 A319 I328 V338 T339 L340V260-V326 HydrophobicContact CG1-CG2 4.16Å; M315-V326 HydrophobicContact CB-CG1 4.34Å; M315-V326 HydrophobicContact CB-CG2 4.31Å; N316-V326 WeakPolarHBondContact OD1-CB 3.16Å; A319-V326 HydrophobicContact CB-CG2 3.75Å; V326-I328 HydrophobicContact CG1-CD1 4.36Å; V326-I328 HydrophobicContact CG1-CG1 3.96Å; V326-V338 HydrophobicContact CG1-CG1 4Å; V326-T339 CarbonylContact C-O 3.5Å; V326-T339 WeakPolarHBondContact CA-O 3.31Å; V326-L340 HydrophobicContact CG2-CB 4.21Å; V326-L340 HydrophobicContact CG2-CD1 3.58Å; V326-L340 HydrophobicContact CG2-CG 4.48Å
327N95Very high91.6Very high79 Ų7966 Ų6642%0.42236%0.357SS..EExtended strand (participates in β ladder)trans-110.1133.9171.4-177.439.8000108.7E329 T339N327-E329 PolarHBondContact ND2-OE1 3.33Å; N327-T339 PolarHBondContact N-O 3.43Å; N327-T339 PolarHBondContact O-N 3.46Å
328I94.1Very high92.1Very high40 Ų4062.7 Ų62.721%0.20534%0.342CS..EExtended strand (participates in β ladder)trans-123.2110.4178.8-57.1170.5000107.8F299 L312 V326 T330 T336 N337 V338F299-I328 HydrophobicContact CZ-CG2 4.06Å; L312-I328 HydrophobicContact CB-CD1 4.2Å; L312-I328 HydrophobicContact CD1-CD1 4.16Å; L312-I328 HydrophobicContact CD2-CD1 3.64Å; L312-I328 HydrophobicContact CG-CD1 4.19Å; V326-I328 HydrophobicContact CG1-CD1 4.36Å; V326-I328 HydrophobicContact CG1-CG1 3.96Å; I328-T330 HydrophobicContact CG2-CG2 4.5Å; I328-T336 HydrophobicContact CG2-CG2 3.87Å; I328-N337 WeakPolarHBondContact CA-O 3.42Å; I328-V338 HydrophobicContact CG1-CG1 4.37Å; I328-V338 HydrophobicContact CG1-CG2 4.36Å; I328-V338 HydrophobicContact CG2-CG2 4.44Å
329E94.3Very high92.7Very high115 Ų11559.9 Ų59.954%0.53734%0.335SS..EExtended strand (participates in β ladder)trans-102.9118.1175.1-66.3175.7-174.800108N327 T336 N337N327-E329 PolarHBondContact ND2-OE1 3.33Å; E329-T336 CarbonylContact O-C 3.59Å; E329-T336 WeakPolarHBondContact O-CA 3.4Å; E329-N337 HydrophobicContact CB-CB 4.36Å; E329-N337 PolarHBondContact N-O 3.26Å; E329-N337 PolarHBondContact O-N 2.88Å
330T93.6Very high93.1Very high22 Ų2259.9 Ų59.914%0.13534%0.335CS..EExtended strand (participates in β ladder)trans-150.2152178.1-174.50000110.1G298 F299 P301 I328 G335 T336G298-T330 WeakPolarHBondContact CA-OG1 3.4Å; F299-T330 HydrophobicContact CD1-CG2 3.76Å; F299-T330 HydrophobicContact CD2-CG2 3.78Å; F299-T330 HydrophobicContact CE1-CG2 3.61Å; F299-T330 HydrophobicContact CE2-CG2 3.63Å; F299-T330 HydrophobicContact CG-CG2 3.85Å; F299-T330 HydrophobicContact CZ-CG2 3.55Å; F299-T330 PolarHBondContact N-OG1 3.49Å; F299-T330 WeakPolarHBondContact O-CG2 3.33Å; P301-T330 HydrophobicContact CG-CG2 3.72Å; I328-T330 HydrophobicContact CG2-CG2 4.5Å; T330-G335 WeakPolarHBondContact CB-O 3.27Å; T330-G335 PolarHBondContact OG1-O 3.07Å; T330-T336 PolarHBondContact OG1-OG1 3.37Å
331K90.3Very high93.5Very high116 Ų11656.6 Ų56.650%0.50432%0.321SS..  trans-149.2146.7170.9-180170.8164.1-149.10108.3G333 E334K331-G333 PolarHBondContact O-N 2.83Å; K331-G333 VanDerWaalsContact O-N 3.09Å; K331-E334 HydrophobicContact CB-CB 4.17Å; K331-E334 HydrophobicContact CB-CG 4.36Å; K331-E334 WeakPolarHBondContact CD-OE1 3.36Å; K331-E334 VanDerWaalsContact CE-OE1 3.29Å; K331-E334 WeakPolarHBondContact CE-OE1 3.03Å; K331-E334 HydrophobicContact CG-CG 4.48Å; K331-E334 IonicContact NZ-OE1 2.85Å; K331-E334 PolarHBondContact NZ-OE1 3.04Å; K331-E334 PolarHBondContact O-N 3.33Å
332I90.9Very high94Very high123 Ų12349.8 Ų49.863%0.63129%0.286SS*.THydrogen-bonded Turntrans-53.3120177-62.4174.5000109.2D300D300-I332 HydrophobicContact CB-CD1 4.06Å; D300-I332 HydrophobicContact CB-CG1 4.35Å
333G91.5Very high94.4Very high60 Ų6051.8 Ų51.862%0.61930%0.299SS*.THydrogen-bonded Turntrans84.2-0.2179.700000116.1N297 K331N297-G333 PolarHBondContact O-N 3.32Å; K331-G333 PolarHBondContact O-N 2.83Å; K331-G333 VanDerWaalsContact O-N 3.09Å
334E92.5Very high94.4Very high125 Ų12551.4 Ų51.458%0.58429%0.288SS*.SBendtrans-114.16.2-178.1-62-176.7-163.300113.1K331K331-E334 HydrophobicContact CB-CB 4.17Å; K331-E334 HydrophobicContact CB-CG 4.36Å; K331-E334 WeakPolarHBondContact CD-OE1 3.36Å; K331-E334 VanDerWaalsContact CE-OE1 3.29Å; K331-E334 WeakPolarHBondContact CE-OE1 3.03Å; K331-E334 HydrophobicContact CG-CG 4.48Å; K331-E334 IonicContact NZ-OE1 2.85Å; K331-E334 PolarHBondContact NZ-OE1 3.04Å; K331-E334 PolarHBondContact O-N 3.33Å
335G93.8Very high94.5Very high2 Ų253.5 Ų53.52%0.02130%0.298CS..  trans77.9-158.9-178.100000114.1D294 G296 G298 T330D294-G335 VanDerWaalsContact O-CA 3.31Å; D294-G335 WeakPolarHBondContact O-CA 3.46Å; D294-G335 WeakPolarHBondContact OD1-CA 3.34Å; G296-G335 VanDerWaalsContact O-CA 3.26Å; G296-G335 WeakPolarHBondContact O-CA 3.33Å; G296-G335 PolarHBondContact O-N 2.94Å; G298-G335 VanDerWaalsContact CA-O 3.32Å; G298-G335 WeakPolarHBondContact CA-O 3.45Å; T330-G335 WeakPolarHBondContact CB-O 3.27Å; T330-G335 PolarHBondContact OG1-O 3.07Å
336T96.2Very high94.4Very high18 Ų1852.6 Ų52.611%0.1129%0.287CS..EExtended strand (participates in β ladder)trans-139.9131.4-178.2-460000109.7I293 D294 F299 I328 E329 T330 V338I293-T336 WeakPolarHBondContact CA-O 3.47Å; D294-T336 PolarHBondContact N-O 3.17Å; D294-T336 PolarHBondContact O-N 3Å; D294-T336 PolarHBondContact OD1-N 2.86Å; D294-T336 VanDerWaalsContact OD2-CB 3.23Å; D294-T336 WeakPolarHBondContact OD2-CB 3.5Å; D294-T336 PolarHBondContact OD2-OG1 3Å; F299-T336 HydrophobicContact CE1-CG2 4.01Å; I328-T336 HydrophobicContact CG2-CG2 3.87Å; E329-T336 CarbonylContact O-C 3.59Å; E329-T336 WeakPolarHBondContact O-CA 3.4Å; T330-T336 PolarHBondContact OG1-OG1 3.37Å; T336-V338 HydrophobicContact CG2-CG2 3.99Å
337N97.5Very high94.4Very high29 Ų2954.3 Ų54.316%0.15530%0.296CS..EExtended strand (participates in β ladder)trans-111.5116.8166.3-177.5-5.1000109.2E291 I293 I328 E329 T339E291-N337 WeakPolarHBondContact CG-OD1 3.38Å; E291-N337 PolarHBondContact OE1-ND2 2.85Å; I293-N337 HydrophobicContact CG1-CB 4.13Å; I328-N337 WeakPolarHBondContact CA-O 3.42Å; E329-N337 HydrophobicContact CB-CB 4.36Å; E329-N337 PolarHBondContact N-O 3.26Å; E329-N337 PolarHBondContact O-N 2.88Å; N337-T339 PolarHBondContact OD1-OG1 2.94Å
338V97.4Very high94.4Very high11 Ų1152.8 Ų52.87%0.06729%0.289CS..EExtended strand (participates in β ladder)trans-104114.3171.7-176.70000108.8A264 E291 V292 M315 V326 I328 T336A264-V338 HydrophobicContact CB-CB 4.13Å; A264-V338 HydrophobicContact CB-CG1 4.22Å; A264-V338 HydrophobicContact CB-CG2 4.17Å; E291-V338 CarbonylContact C-O 3.55Å; E291-V338 WeakPolarHBondContact CA-O 3.48Å; V292-V338 PolarHBondContact N-O 3.09Å; V292-V338 PolarHBondContact O-N 3.26Å; M315-V338 HydrophobicContact SD-CG1 3.96Å; V326-V338 HydrophobicContact CG1-CG1 4Å; I328-V338 HydrophobicContact CG1-CG1 4.37Å; I328-V338 HydrophobicContact CG1-CG2 4.36Å; I328-V338 HydrophobicContact CG2-CG2 4.44Å; T336-V338 HydrophobicContact CG2-CG2 3.99Å
339T98Very high94.4Very high28 Ų2853.6 Ų53.617%0.17229%0.294CS..EExtended strand (participates in β ladder)trans-114.1117.4178.2-62.20000110.9V289 A290 V326 N327 N337V289-T339 HydrophobicContact CG1-CG2 3.98Å; A290-T339 CarbonylContact O-C 3.54Å; A290-T339 WeakPolarHBondContact O-CA 3.49Å; V326-T339 CarbonylContact C-O 3.5Å; V326-T339 WeakPolarHBondContact CA-O 3.31Å; N327-T339 PolarHBondContact N-O 3.43Å; N327-T339 PolarHBondContact O-N 3.46Å; N337-T339 PolarHBondContact OD1-OG1 2.94Å
340L97.4Very high94.4Very high1 Ų149.5 Ų49.51%0.00528%0.278CS..EExtended strand (participates in β ladder)trans-96.5131168.9172.266000109.6V256 V257 V260 V289 A290 A319 V326 I342V256-L340 HydrophobicContact CG1-CD2 4.49Å; V257-L340 HydrophobicContact CB-CD2 4.26Å; V257-L340 HydrophobicContact CG2-CD2 3.88Å; V260-L340 HydrophobicContact CB-CD2 3.93Å; V260-L340 HydrophobicContact CG1-CB 4.12Å; V260-L340 HydrophobicContact CG1-CD2 4.11Å; V260-L340 HydrophobicContact CG2-CD2 4.12Å; V289-L340 CarbonylContact C-O 3.51Å; V289-L340 VanDerWaalsContact CA-O 3.26Å; V289-L340 WeakPolarHBondContact CA-O 3.05Å; A290-L340 HydrophobicContact CB-CB 4.3Å; A290-L340 HydrophobicContact CB-CD2 4.46Å; A290-L340 PolarHBondContact N-O 3.22Å; A290-L340 PolarHBondContact O-N 3.48Å; A319-L340 HydrophobicContact CB-CD1 3.63Å; V326-L340 HydrophobicContact CG2-CB 4.21Å; V326-L340 HydrophobicContact CG2-CD1 3.58Å; V326-L340 HydrophobicContact CG2-CG 4.48Å; L340-I342 HydrophobicContact CD1-CD1 4.04Å; L340-I342 HydrophobicContact CD1-CG1 3.85Å; L340-I342 HydrophobicContact CD2-CD1 3.79Å; L340-I342 HydrophobicContact CD2-CG1 4.39Å; L340-I342 HydrophobicContact CG-CD1 3.96Å; L340-I342 HydrophobicContact CG-CG1 4Å
341N97.5Very high94.4Very high56 Ų5651.5 Ų51.530%0.29929%0.288SS..EExtended strand (participates in β ladder)trans-126.2121.9175.2-173.1-2.1000109.9H287 G324 S325H287-N341 WeakPolarHBondContact CB-OD1 3.32Å; H287-N341 PolarHBondContact CD2-OD1 2.85Å; G324-N341 CarbonylContact C-O 3.56Å; G324-N341 WeakPolarHBondContact CA-O 3.48Å; S325-N341 PolarHBondContact N-O 3.01Å; S325-N341 PolarHBondContact O-N 2.74Å
342I94.6Very high94.7Very high0 Ų046.5 Ų46.50%027%0.271CS..EExtended strand (participates in β ladder)trans-125.8124.8-178.2-61.5168.4000109.4I253 V256 V257 H287 L288 V322 L340I253-I342 HydrophobicContact CD1-CG2 4.15Å; I253-I342 HydrophobicContact CG1-CG2 4.14Å; I253-I342 HydrophobicContact CG2-CD1 4.17Å; I253-I342 HydrophobicContact CG2-CG2 4.14Å; V256-I342 HydrophobicContact CG1-CD1 4.14Å; V257-I342 HydrophobicContact CG2-CD1 3.51Å; H287-I342 CarbonylContact C-O 3.31Å; H287-I342 VanDerWaalsContact CA-O 3.26Å; H287-I342 WeakPolarHBondContact CA-O 3.29Å; L288-I342 PolarHBondContact N-O 3.22Å; L288-I342 PolarHBondContact O-N 2.75Å; V322-I342 HydrophobicContact CB-CG2 4.36Å; V322-I342 HydrophobicContact CG2-CD1 3.81Å; V322-I342 HydrophobicContact CG2-CG1 4Å; V322-I342 HydrophobicContact CG2-CG2 4.01Å; L340-I342 HydrophobicContact CD1-CD1 4.04Å; L340-I342 HydrophobicContact CD1-CG1 3.85Å; L340-I342 HydrophobicContact CD2-CD1 3.79Å; L340-I342 HydrophobicContact CD2-CG1 4.39Å; L340-I342 HydrophobicContact CG-CD1 3.96Å; L340-I342 HydrophobicContact CG-CG1 4Å
343P94Very high95.1Very high60 Ų6040.2 Ų40.239%0.3924%0.241SC..EExtended strand (participates in β ladder)trans-63.3133.5168-18.331.8000111.3R286 S323R286-P343 WeakPolarHBondContact O-CA 3.5Å; S323-P343 WeakPolarHBondContact O-CD 3.24Å; S323-P343 WeakPolarHBondContact O-CG 3.41Å
344I90.4Very high95.4Very high92 Ų9238.4 Ų38.447%0.47221%0.207SC..  trans-118.80179.756.9168.7000113.3F249 I253 Q283 R286 L288F249-I344 HydrophobicContact CD1-CG2 3.91Å; F249-I344 HydrophobicContact CE1-CD1 3.95Å; F249-I344 HydrophobicContact CE1-CG2 4.2Å; I253-I344 HydrophobicContact CD1-CG2 4.25Å; Q283-I344 HydrophobicContact CG-CD1 3.62Å; Q283-I344 VanDerWaalsContact NE2-CD1 3.27Å; R286-I344 WeakPolarHBondContact O-CG1 3.44Å; R286-I344 PolarHBondContact O-N 3.45Å; L288-I344 HydrophobicContact CB-CG2 3.78Å

Retrieved 344 of 344 residues in 1140.5 ms (Link to these results)

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