A0A5K4F540_SCHMA Loading...

BK_channel_a domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F540, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 300 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
1M45.8Very low48.6Very low178 Ų178112.2 Ų112.288%0.87760%0.598SS**  0105.20-165-179.1-102.100106.4L3M1-L3 HydrophobicContact CG-CD2 4.15Å; M1-L3 HydrophobicContact CG-CG 4.48Å; M1-L3 PolarHBondContact O-N 3.23Å; M1-L3 HydrophobicContact SD-CD2 4.12Å
2I41.3Very low51.8Low97 Ų97111.7 Ų111.750%0.49758%0.581SS.*  trans-79.9106.5-177.3-60.9168.8000106.3K73I2-K73 HydrophobicContact CG2-CB 4.46Å
3L45.5Very low54.9Low46 Ų46103.2 Ų103.224%0.24154%0.537CS..  trans-92.4118.5-171.1-71166000111.2M1 F8M1-L3 HydrophobicContact CG-CD2 4.15Å; M1-L3 HydrophobicContact CG-CG 4.48Å; M1-L3 PolarHBondContact O-N 3.23Å; M1-L3 HydrophobicContact SD-CD2 4.12Å; L3-F8 HydrophobicContact CB-CE2 4.4Å; L3-F8 HydrophobicContact CD1-CE2 4Å; L3-F8 HydrophobicContact CD1-CZ 3.77Å; L3-F8 HydrophobicContact CD2-CZ 4.16Å; L3-F8 HydrophobicContact CG-CZ 4.38Å
4T43Very low57.7Low124 Ų12496.3 Ų96.376%0.76150%0.501SS*.  trans-90.5101.1169.751.90000109
5S37.9Very low60.3Low88 Ų8889.9 Ų89.962%0.61547%0.468SS*.SBendtrans44.678.2154.4-1770000118.1
6T40.5Very low62.7Low94 Ų9484.3 Ų84.358%0.57744%0.439SS*.  trans-142.4141.2153.147.70000110.7F8T6-F8 WeakPolarHBondContact O-CD2 3.37Å; T6-F8 WeakPolarHBondContact O-CE2 3.47Å; T6-F8 PolarHBondContact O-N 2.75Å; T6-F8 VanDerWaalsContact O-N 3.07Å
7Y45Very low64.7Low231 Ų23179.4 Ų79.491%0.90641%0.413SS*.  trans-51.9102.6-171.7-64.8-97.2000114
8F54.3Low66.5Low74 Ų7476.5 Ų76.533%0.32541%0.406SS..  trans-94.4121.5176.6-64.1-68.4000112.1L3 T6 L10 K86L3-F8 HydrophobicContact CB-CE2 4.4Å; L3-F8 HydrophobicContact CD1-CE2 4Å; L3-F8 HydrophobicContact CD1-CZ 3.77Å; L3-F8 HydrophobicContact CD2-CZ 4.16Å; L3-F8 HydrophobicContact CG-CZ 4.38Å; T6-F8 WeakPolarHBondContact O-CD2 3.37Å; T6-F8 WeakPolarHBondContact O-CE2 3.47Å; T6-F8 PolarHBondContact O-N 2.75Å; T6-F8 VanDerWaalsContact O-N 3.07Å; F8-L10 PolarHBondContact O-N 2.99Å; F8-K86 WeakPolarHBondContact O-CE 3.41Å; F8-K86 PolarHBondContact O-NZ 3.44Å
9S51Low67.9Low111 Ų11173.9 Ų73.978%0.77639%0.394SS*.  trans-74.1106.5166.11750000109.2
10L60.2Low69.3Low37 Ų3771.3 Ų71.319%0.19438%0.38CS..  trans-99.6126.7169.1-67.5169.2000106.7F8 H13 M45 V47F8-L10 PolarHBondContact O-N 2.99Å; L10-H13 HydrophobicContact CB-CB 4.31Å; L10-H13 HydrophobicContact CD1-CB 3.88Å; L10-M45 HydrophobicContact CD2-CB 3.85Å; L10-M45 HydrophobicContact CD2-CG 3.72Å; L10-M45 HydrophobicContact CD2-SD 3.48Å; L10-M45 WeakPolarHBondContact CD2-SD 3.27Å; L10-V47 HydrophobicContact CD1-CG2 3.86Å
11L70.1Confident70.4Confident154 Ų15469.9 Ų69.981%0.80637%0.373SS*.SBendtrans-68.8-53.8174.1-74.5170.4000109.7
12R86.9Confident72.7Confident106 Ų10666 Ų6640%0.435%0.349SS..EExtended strand (participates in β ladder)trans-143.2137.5174.1-70.4-178.665-1570.2110.3D41 M44 M45 D91R12-D41 IonicContact CZ-OD2 3.77Å; R12-D41 IonicContact NH1-OD2 3.43Å; R12-D41 PolarHBondContact NH1-OD2 3.01Å; R12-M44 HydrophobicContact CB-SD 3.7Å; R12-M45 PolarHBondContact O-N 3.06Å; R12-D91 IonicContact CZ-OD2 3.39Å; R12-D91 VanDerWaalsContact CZ-OD2 3.22Å; R12-D91 IonicContact NE-OD1 3.99Å; R12-D91 IonicContact NE-OD2 2.93Å; R12-D91 PolarHBondContact NE-OD2 2.66Å; R12-D91 IonicContact NH2-OD2 3.98Å; R12-D91 PolarHBondContact NH2-OD2 3.24Å
13H92.6Very high75.1Confident2 Ų266 Ų661%0.00935%0.347CS..EExtended strand (participates in β ladder)trans-151.6157.5178.669.8-78.8000113L10 M44 M45 V47 A85 K86 A90 D91L10-H13 HydrophobicContact CB-CB 4.31Å; L10-H13 HydrophobicContact CD1-CB 3.88Å; H13-M44 WeakPolarHBondContact O-CE 3.46Å; H13-M45 CarbonylContact C-O 3.59Å; H13-M45 WeakPolarHBondContact CA-O 3.41Å; H13-M45 HydrophobicContact CB-CB 3.95Å; H13-M45 VanDerWaalsContact CB-O 3.24Å; H13-M45 WeakPolarHBondContact CB-O 3.26Å; H13-V47 HydrophobicContact CB-CG2 4.36Å; H13-A85 PolarHBondContact NE2-O 3.41Å; H13-K86 PolarHBondContact CE1-O 2.86Å; H13-K86 PolarHBondContact NE2-O 3.31Å; H13-K86 VanDerWaalsContact NE2-O 3.13Å; H13-A90 CarbonylContact O-C 3.59Å; H13-A90 WeakPolarHBondContact O-CA 3.4Å; H13-D91 PolarHBondContact O-N 3.49Å
14I94.1Very high77.3Confident6 Ų663.8 Ų63.83%0.03134%0.335CS..EExtended strand (participates in β ladder)trans-111.5152.1163.551.9165.6000109.5V16 F28 Y32 M44 M45 I46 V47 D91 A92 I94I14-V16 HydrophobicContact CD1-CG2 4.07Å; I14-F28 HydrophobicContact CD1-CZ 3.93Å; I14-Y32 HydrophobicContact CD1-CD2 4.49Å; I14-Y32 HydrophobicContact CD1-CE1 4.03Å; I14-Y32 HydrophobicContact CD1-CE2 3.86Å; I14-M44 HydrophobicContact CB-CE 3.95Å; I14-M44 HydrophobicContact CG1-CE 4.21Å; I14-M44 HydrophobicContact CG2-CE 3.19Å; I14-M45 PolarHBondContact N-O 2.8Å; I14-I46 HydrophobicContact CD1-CG1 4.13Å; I14-I46 HydrophobicContact CG1-CB 4.46Å; I14-I46 HydrophobicContact CG1-CG1 4.08Å; I14-V47 PolarHBondContact O-N 3.07Å; I14-D91 HydrophobicContact CG2-CB 4.49Å; I14-A92 WeakPolarHBondContact CA-O 3.37Å; I14-A92 HydrophobicContact CG2-CB 4.25Å; I14-I94 HydrophobicContact CD1-CD1 3.76Å
15V96.9Very high79.7Confident1 Ų157.9 Ų57.91%0.00630%0.299CS..EExtended strand (participates in β ladder)trans-104.9131.3171.5-179.30000108.8V47 L49 A85 V87 A90 A92 V93 I94V15-V47 CarbonylContact C-O 3.59Å; V15-V47 VanDerWaalsContact CA-O 3.31Å; V15-V47 WeakPolarHBondContact CA-O 3.43Å; V15-V47 HydrophobicContact CG2-CB 4.39Å; V15-L49 HydrophobicContact CG1-CB 4.18Å; V15-A85 HydrophobicContact CG1-CB 4.46Å; V15-A85 HydrophobicContact CG2-CB 4.38Å; V15-V87 HydrophobicContact CB-CG2 4.5Å; V15-V87 HydrophobicContact CG1-CG2 4.35Å; V15-V87 HydrophobicContact CG2-CG2 4.02Å; V15-A90 HydrophobicContact CG2-CB 4.05Å; V15-A92 PolarHBondContact N-O 3.23Å; V15-A92 VanDerWaalsContact N-O 3.08Å; V15-V93 HydrophobicContact CB-CG1 4.39Å; V15-V93 HydrophobicContact CB-CG2 4.3Å; V15-V93 CarbonylContact O-C 3.58Å; V15-V93 VanDerWaalsContact O-CA 3.3Å; V15-V93 WeakPolarHBondContact O-CA 3.35Å; V15-I94 PolarHBondContact O-N 3.1Å
16V97.5Very high82.2Confident0 Ų055 Ų550%028%0.279CS..EExtended strand (participates in β ladder)trans-118.5123.9179.5-177.20000109.1I14 I20 L25 F28 I46 V47 I48 L49 I94 L96I14-V16 HydrophobicContact CD1-CG2 4.07Å; V16-I20 HydrophobicContact CG1-CD1 4.11Å; V16-L25 HydrophobicContact CG1-CD2 3.98Å; V16-F28 HydrophobicContact CG2-CE1 3.83Å; V16-F28 HydrophobicContact CG2-CZ 4.01Å; V16-I46 HydrophobicContact CB-CG2 4.37Å; V16-I46 HydrophobicContact CG2-CG2 3.61Å; V16-V47 PolarHBondContact N-O 3.04Å; V16-I48 CarbonylContact O-C 3.55Å; V16-I48 WeakPolarHBondContact O-CA 3.39Å; V16-L49 PolarHBondContact O-N 3.32Å; V16-I94 CarbonylContact C-O 3.53Å; V16-I94 VanDerWaalsContact CA-O 3.3Å; V16-I94 WeakPolarHBondContact CA-O 3.48Å; V16-I94 HydrophobicContact CG2-CB 4.35Å; V16-L96 HydrophobicContact CG1-CD1 3.46Å; V16-L96 VanDerWaalsContact CG1-CD1 3.46Å; V16-L96 HydrophobicContact CG1-CG 3.94Å
17C97.8Very high84.5Confident1 Ų153.9 Ų53.91%0.00727%0.269CS..EExtended strand (participates in β ladder)trans-143.9-165.5178.863.30000111.2L49 V76 I94 I95 L96C17-L49 HydrophobicContact CB-CB 4.33Å; C17-L49 WeakPolarHBondContact CB-O 3.48Å; C17-V76 HydrophobicContact CB-CG1 3.97Å; C17-I94 PolarHBondContact N-O 2.84Å; C17-I95 WeakPolarHBondContact O-CA 3.43Å; C17-L96 PolarHBondContact O-N 2.86Å
18G96Very high86.7Confident27 Ų2744.3 Ų44.328%0.27823%0.232SC..EExtended strand (participates in β ladder)trans89.7-134.6-172.100000111.5I20G18-I20 PolarHBondContact O-N 3.39Å
19S94.5Very high88.3Confident27 Ų2741.5 Ų41.519%0.18922%0.22CC..SBendtrans-7892.3178.4-170.40000112.3L96 N98S19-L96 PolarHBondContact N-O 3.05Å; S19-N98 VanDerWaalsContact OG-CB 3.3Å; S19-N98 WeakPolarHBondContact OG-CB 3.45Å
20I95.3Very high89.8Confident22 Ų2240.5 Ų40.511%0.11321%0.205CC..  trans-93.6111.5179.9-59.7-51.7000110.4V16 G18 L25 I48 L58V16-I20 HydrophobicContact CG1-CD1 4.11Å; G18-I20 PolarHBondContact O-N 3.39Å; I20-L25 HydrophobicContact CD1-CD2 4.18Å; I20-L25 HydrophobicContact CD1-CG 4.43Å; I20-L25 HydrophobicContact CG2-CD1 3.66Å; I20-L25 HydrophobicContact CG2-CG 4.42Å; I20-I48 HydrophobicContact CD1-CG2 4.14Å; I20-I48 HydrophobicContact CG1-CG2 4.15Å; I20-I48 HydrophobicContact CG2-CG2 3.68Å; I20-L58 HydrophobicContact CG2-CD2 3.89Å
21N93.4Very high90.8Very high41 Ų4141.8 Ų41.822%0.21921%0.21CC..  trans-151.6168.4170.462.963.7000109.7H23 T24 L25N21-H23 VanDerWaalsContact C-N 3.3Å; N21-H23 PolarHBondContact O-N 3.17Å; N21-H23 WeakPolarHBondContact OD1-CB 3.32Å; N21-H23 PolarHBondContact OD1-N 3.32Å; N21-T24 PolarHBondContact ND2-OG1 3.04Å; N21-T24 PolarHBondContact O-N 3.45Å; N21-T24 PolarHBondContact OD1-N 2.91Å; N21-T24 PolarHBondContact OD1-OG1 2.85Å; N21-L25 WeakPolarHBondContact O-CB 3.39Å; N21-L25 PolarHBondContact O-N 2.96Å
22Y94Very high91.2Very high97 Ų9737.4 Ų37.438%0.3818%0.184SC..Hα-helixtrans-55.2-43-178.9173.9-98000112.9S26 S57 L61Y22-S26 WeakPolarHBondContact O-CB 3.18Å; Y22-S26 PolarHBondContact O-N 3.38Å; Y22-S26 PolarHBondContact O-OG 3.01Å; Y22-S57 VanDerWaalsContact CD2-O 3.3Å; Y22-S57 WeakPolarHBondContact CD2-O 3.49Å; Y22-L61 HydrophobicContact CD2-CB 4.08Å; Y22-L61 HydrophobicContact CD2-CD2 4.19Å; Y22-L61 HydrophobicContact CE2-CB 4.07Å; Y22-L61 HydrophobicContact CE2-CD2 4.36Å
23H91.4Very high90.5Very high96 Ų9634.2 Ų34.244%0.44418%0.176SC..Hα-helixtrans-65.8-49.4-176.8-178.269.6000111.9N21 S26 I27N21-H23 VanDerWaalsContact C-N 3.3Å; N21-H23 PolarHBondContact O-N 3.17Å; N21-H23 WeakPolarHBondContact OD1-CB 3.32Å; N21-H23 PolarHBondContact OD1-N 3.32Å; H23-S26 PolarHBondContact O-OG 3.39Å; H23-S26 VanDerWaalsContact O-OG 3.06Å; H23-I27 VanDerWaalsContact CE1-CD1 3.47Å; H23-I27 WeakPolarHBondContact CE1-CD1 3.37Å; H23-I27 WeakPolarHBondContact O-CG1 3.43Å; H23-I27 PolarHBondContact O-N 3.08Å
24T92Very high89.2Confident1 Ų136.8 Ų36.81%0.00619%0.19CC..Hα-helixtrans-63.2-45.7179.3-51.80000111.3N21 F28 L96N21-T24 PolarHBondContact ND2-OG1 3.04Å; N21-T24 PolarHBondContact O-N 3.45Å; N21-T24 PolarHBondContact OD1-N 2.91Å; N21-T24 PolarHBondContact OD1-OG1 2.85Å; T24-F28 WeakPolarHBondContact O-CB 3.49Å; T24-F28 PolarHBondContact O-N 2.96Å; T24-L96 HydrophobicContact CG2-CB 3.79Å; T24-L96 HydrophobicContact CG2-CD1 3.83Å; T24-L96 HydrophobicContact CG2-CG 4.34Å
25L93Very high87.6Confident0 Ų039.8 Ų39.80%022%0.215CC..Hα-helixtrans-74.4-35.1-176.3-78.5179.7000113.8V16 I20 N21 F28 F29 I48 L58 L61 L96V16-L25 HydrophobicContact CG1-CD2 3.98Å; I20-L25 HydrophobicContact CD1-CD2 4.18Å; I20-L25 HydrophobicContact CD1-CG 4.43Å; I20-L25 HydrophobicContact CG2-CD1 3.66Å; I20-L25 HydrophobicContact CG2-CG 4.42Å; N21-L25 WeakPolarHBondContact O-CB 3.39Å; N21-L25 PolarHBondContact O-N 2.96Å; L25-F28 HydrophobicContact CD2-CD1 4.41Å; L25-F28 PolarHBondContact O-N 3.28Å; L25-F29 WeakPolarHBondContact O-CB 3.48Å; L25-F29 PolarHBondContact O-N 2.9Å; L25-I48 HydrophobicContact CD1-CD1 3.58Å; L25-I48 HydrophobicContact CD1-CG1 4.14Å; L25-I48 HydrophobicContact CD1-CG2 4.1Å; L25-I48 HydrophobicContact CD2-CD1 4.23Å; L25-I48 HydrophobicContact CD2-CG1 4.24Å; L25-L58 HydrophobicContact CB-CD1 4.37Å; L25-L58 HydrophobicContact CD1-CD1 3.5Å; L25-L58 HydrophobicContact CD1-CD2 4.21Å; L25-L61 HydrophobicContact CB-CD2 4.28Å; L25-L96 HydrophobicContact CD2-CD1 4Å
26S90.8Very high85.6Confident28 Ų2842.3 Ų42.320%0.19623%0.228CC..Hα-helixtrans-63.1-45.1177.353.90000111.4Y22 H23 D30Y22-S26 WeakPolarHBondContact O-CB 3.18Å; Y22-S26 PolarHBondContact O-N 3.38Å; Y22-S26 PolarHBondContact O-OG 3.01Å; H23-S26 PolarHBondContact O-OG 3.39Å; H23-S26 VanDerWaalsContact O-OG 3.06Å; S26-D30 WeakPolarHBondContact O-CB 3.41Å; S26-D30 PolarHBondContact O-N 3.23Å
27I88.1Confident83.5Confident70 Ų7049.7 Ų49.736%0.35926%0.263SS..Hα-helixtrans-64.7-48.2175.9-64.3170.4000110.4H23 F29 D30 E31H23-I27 VanDerWaalsContact CE1-CD1 3.47Å; H23-I27 WeakPolarHBondContact CE1-CD1 3.37Å; H23-I27 WeakPolarHBondContact O-CG1 3.43Å; H23-I27 PolarHBondContact O-N 3.08Å; I27-F29 VanDerWaalsContact C-N 3.34Å; I27-F29 PolarHBondContact O-N 2.92Å; I27-D30 PolarHBondContact O-N 3.1Å; I27-E31 WeakPolarHBondContact O-CB 3.39Å; I27-E31 WeakPolarHBondContact O-CG 3.42Å; I27-E31 PolarHBondContact O-N 2.94Å
28F90Very high81.2Confident30 Ų3051.5 Ų51.513%0.13228%0.282CS..Hα-helixtrans-57.6-47.5178.6167.9-98.6000111.7I14 V16 T24 L25 E31 Y32 I46 I94 L96I14-F28 HydrophobicContact CD1-CZ 3.93Å; V16-F28 HydrophobicContact CG2-CE1 3.83Å; V16-F28 HydrophobicContact CG2-CZ 4.01Å; T24-F28 WeakPolarHBondContact O-CB 3.49Å; T24-F28 PolarHBondContact O-N 2.96Å; L25-F28 HydrophobicContact CD2-CD1 4.41Å; L25-F28 PolarHBondContact O-N 3.28Å; F28-E31 PolarHBondContact O-N 3.2Å; F28-Y32 HydrophobicContact CE1-CG 4.45Å; F28-Y32 HydrophobicContact CE2-CD2 4.25Å; F28-Y32 AromaticContact CZ-CD2 3.96Å; F28-Y32 HydrophobicContact CZ-CD2 3.96Å; F28-Y32 HydrophobicContact CZ-CG 4.01Å; F28-Y32 WeakPolarHBondContact O-CB 3.31Å; F28-Y32 PolarHBondContact O-N 3.1Å; F28-I46 HydrophobicContact CE1-CD1 4.29Å; F28-I46 HydrophobicContact CE1-CG2 4.33Å; F28-I94 HydrophobicContact CE2-CD1 3.71Å; F28-I94 HydrophobicContact CE2-CG2 4.23Å; F28-I94 HydrophobicContact CZ-CD1 3.74Å; F28-L96 HydrophobicContact CB-CD1 4.15Å; F28-L96 HydrophobicContact CD2-CD1 4.47Å; F28-L96 HydrophobicContact CD2-CD2 4.09Å; F28-L96 HydrophobicContact CG-CD1 4.11Å; F28-L96 HydrophobicContact CG-CD2 4.49Å
29F88.4Confident79.1Confident15 Ų1555.9 Ų55.97%0.06630%0.295CS..Hα-helixtrans-66.1-44.8-177.8-179.1-99.5000112.1L25 I27 E31 Y32 V33 I46 E65 T68 M69L25-F29 WeakPolarHBondContact O-CB 3.48Å; L25-F29 PolarHBondContact O-N 2.9Å; I27-F29 VanDerWaalsContact C-N 3.34Å; I27-F29 PolarHBondContact O-N 2.92Å; F29-E31 VanDerWaalsContact C-N 3.34Å; F29-E31 PolarHBondContact O-N 2.94Å; F29-Y32 PolarHBondContact O-N 2.87Å; F29-V33 HydrophobicContact CD1-CG2 4.29Å; F29-V33 HydrophobicContact CD2-CG2 3.77Å; F29-V33 HydrophobicContact CE1-CG2 3.93Å; F29-V33 HydrophobicContact CE2-CG2 3.38Å; F29-V33 HydrophobicContact CG-CG2 4.23Å; F29-V33 HydrophobicContact CZ-CG2 3.49Å; F29-V33 VanDerWaalsContact CZ-CG2 3.49Å; F29-V33 WeakPolarHBondContact O-CB 3.31Å; F29-V33 PolarHBondContact O-N 3.11Å; F29-I46 HydrophobicContact CD2-CD1 3.73Å; F29-I46 HydrophobicContact CE2-CD1 4.05Å; F29-E65 HydrophobicContact CD1-CG 4.26Å; F29-E65 HydrophobicContact CE1-CB 4.25Å; F29-E65 VanDerWaalsContact CE1-CD 3.43Å; F29-E65 HydrophobicContact CE1-CG 3.55Å; F29-E65 HydrophobicContact CE2-CB 4.3Å; F29-E65 HydrophobicContact CE2-CG 4.44Å; F29-E65 HydrophobicContact CZ-CB 3.8Å; F29-E65 HydrophobicContact CZ-CG 3.63Å; F29-E65 WeakPolarHBondContact CZ-OE2 3.49Å; F29-T68 WeakPolarHBondContact CE2-OG1 3.38Å; F29-T68 WeakPolarHBondContact CZ-OG1 3.37Å; F29-M69 HydrophobicContact CB-CE 4.15Å; F29-M69 HydrophobicContact CB-SD 4.25Å; F29-M69 HydrophobicContact CD1-CE 3.98Å; F29-M69 HydrophobicContact CD2-CE 3.41Å; F29-M69 VanDerWaalsContact CD2-CE 3.41Å; F29-M69 HydrophobicContact CD2-CG 3.76Å; F29-M69 HydrophobicContact CD2-SD 3.45Å; F29-M69 WeakPolarHBondContact CD2-SD 3.37Å; F29-M69 HydrophobicContact CE1-CE 4.19Å; F29-M69 HydrophobicContact CE2-CE 3.65Å; F29-M69 HydrophobicContact CE2-CG 3.71Å; F29-M69 HydrophobicContact CE2-SD 3.96Å; F29-M69 HydrophobicContact CG-CE 3.57Å; F29-M69 HydrophobicContact CG-SD 3.99Å; F29-M69 HydrophobicContact CZ-CE 4.02Å
30D83.6Confident77.1Confident89 Ų8956.7 Ų56.748%0.47629%0.294SS..Hα-helixtrans-60.8-44.7178.5-170.260.1000111.2S26 I27 N34S26-D30 WeakPolarHBondContact O-CB 3.41Å; S26-D30 PolarHBondContact O-N 3.23Å; I27-D30 PolarHBondContact O-N 3.1Å; D30-N34 WeakPolarHBondContact O-CB 3.47Å; D30-N34 PolarHBondContact O-N 2.76Å; D30-N34 PolarHBondContact O-ND2 2.93Å; D30-N34 PolarHBondContact OD1-ND2 3.33Å
31E80.1Confident75.2Confident64 Ų6458.1 Ų58.130%0.29930%0.302SS..Hα-helixtrans-68-40.9175.4-69.2-63.6156.200111.8I27 F28 F29 A35I27-E31 WeakPolarHBondContact O-CB 3.39Å; I27-E31 WeakPolarHBondContact O-CG 3.42Å; I27-E31 PolarHBondContact O-N 2.94Å; F28-E31 PolarHBondContact O-N 3.2Å; F29-E31 VanDerWaalsContact C-N 3.34Å; F29-E31 PolarHBondContact O-N 2.94Å; E31-A35 WeakPolarHBondContact O-CA 3.4Å; E31-A35 WeakPolarHBondContact O-CB 3.4Å; E31-A35 PolarHBondContact O-N 3.48Å
32Y79.1Confident73.7Confident63 Ų6364.2 Ų64.225%0.24733%0.329CS..Hα-helixtrans-68.8-49.5-176.5-173.3-99.6000113.4I14 F28 F29 Y40 M44 I46I14-Y32 HydrophobicContact CD1-CD2 4.49Å; I14-Y32 HydrophobicContact CD1-CE1 4.03Å; I14-Y32 HydrophobicContact CD1-CE2 3.86Å; F28-Y32 HydrophobicContact CE1-CG 4.45Å; F28-Y32 HydrophobicContact CE2-CD2 4.25Å; F28-Y32 AromaticContact CZ-CD2 3.96Å; F28-Y32 HydrophobicContact CZ-CD2 3.96Å; F28-Y32 HydrophobicContact CZ-CG 4.01Å; F28-Y32 WeakPolarHBondContact O-CB 3.31Å; F28-Y32 PolarHBondContact O-N 3.1Å; F29-Y32 PolarHBondContact O-N 2.87Å; Y32-Y40 AromaticContact CD1-CE2 3.81Å; Y32-Y40 HydrophobicContact CD1-CE2 3.81Å; Y32-Y40 AromaticContact CE1-CE2 3.66Å; Y32-Y40 HydrophobicContact CE1-CE2 3.66Å; Y32-M44 HydrophobicContact CE1-CG 4.44Å; Y32-M44 WeakPolarHBondContact OH-CG 3.11Å; Y32-I46 HydrophobicContact CD1-CD1 3.73Å; Y32-I46 HydrophobicContact CD1-CG1 4.36Å; Y32-I46 HydrophobicContact CE1-CD1 4.03Å; Y32-I46 HydrophobicContact CE1-CG1 4.16Å
33V72.9Confident72.6Confident39 Ų3964.7 Ų64.724%0.23634%0.338CS..Hα-helixtrans-68.3-41179.9173.40000110.6F29 Y40F29-V33 HydrophobicContact CD1-CG2 4.29Å; F29-V33 HydrophobicContact CD2-CG2 3.77Å; F29-V33 HydrophobicContact CE1-CG2 3.93Å; F29-V33 HydrophobicContact CE2-CG2 3.38Å; F29-V33 HydrophobicContact CG-CG2 4.23Å; F29-V33 HydrophobicContact CZ-CG2 3.49Å; F29-V33 VanDerWaalsContact CZ-CG2 3.49Å; F29-V33 WeakPolarHBondContact O-CB 3.31Å; F29-V33 PolarHBondContact O-N 3.11Å; V33-Y40 HydrophobicContact CG2-CE2 4.3Å
34N64.9Low72.2Confident56 Ų5660.5 Ų60.530%0.29932%0.319SS..Hα-helixtrans-83.4-21.5-176.7-64.9-57.3000113.1D30 D36 R187D30-N34 WeakPolarHBondContact O-CB 3.47Å; D30-N34 PolarHBondContact O-N 2.76Å; D30-N34 PolarHBondContact O-ND2 2.93Å; D30-N34 PolarHBondContact OD1-ND2 3.33Å; N34-D36 PolarHBondContact O-N 2.98Å; N34-R187 PolarHBondContact O-NH1 3.34Å; N34-R187 PolarHBondContact O-NH2 3.16Å
35A61.1Low72.1Confident68 Ų6861.7 Ų61.756%0.56233%0.325SS*.THydrogen-bonded Turntrans-44.9-29.2-177.600000112.6E31E31-A35 WeakPolarHBondContact O-CA 3.4Å; E31-A35 WeakPolarHBondContact O-CB 3.4Å; E31-A35 PolarHBondContact O-N 3.48Å
36D54.5Low72.1Confident54 Ų5461.7 Ų61.729%0.28933%0.325SS..THydrogen-bonded Turntrans-134.460.9-160.3-148.9-4.8000113.2N34 G38 H39 Y40N34-D36 PolarHBondContact O-N 2.98Å; D36-G38 PolarHBondContact O-N 3.46Å; D36-H39 VanDerWaalsContact CG-CA 3.41Å; D36-H39 VanDerWaalsContact CG-CB 3.41Å; D36-H39 PolarHBondContact O-N 3.29Å; D36-H39 WeakPolarHBondContact OD1-CA 3.3Å; D36-H39 WeakPolarHBondContact OD1-CB 3.45Å; D36-H39 IonicContact OD1-CD2 2.71Å; D36-H39 IonicContact OD1-CG 2.69Å; D36-H39 PolarHBondContact OD1-N 3.47Å; D36-H39 WeakPolarHBondContact OD2-CA 3.34Å; D36-H39 WeakPolarHBondContact OD2-CB 3.28Å; D36-Y40 VanDerWaalsContact CB-N 3.31Å; D36-Y40 VanDerWaalsContact O-CB 3.3Å; D36-Y40 WeakPolarHBondContact O-CB 2.99Å; D36-Y40 PolarHBondContact O-N 3.01Å; D36-Y40 PolarHBondContact OD2-N 3Å
37Q53.4Low72.3Confident156 Ų15660.9 Ų60.973%0.72932%0.319SS*.THydrogen-bonded Turntrans-58.913.9171.1-71.9-171.9-500114.6
38G49.8Very low72.7Confident39 Ų3957.5 Ų57.540%0.40230%0.301SS..THydrogen-bonded Turntrans-147.1-18.5173.100000115.3D36D36-G38 PolarHBondContact O-N 3.46Å
39H50Low73.1Confident119 Ų11956.2 Ų56.255%0.55130%0.296SS*.THydrogen-bonded Turntrans-129.56.9175-52.3-48.1000115D36 D41D36-H39 VanDerWaalsContact CG-CA 3.41Å; D36-H39 VanDerWaalsContact CG-CB 3.41Å; D36-H39 PolarHBondContact O-N 3.29Å; D36-H39 WeakPolarHBondContact OD1-CA 3.3Å; D36-H39 WeakPolarHBondContact OD1-CB 3.45Å; D36-H39 IonicContact OD1-CD2 2.71Å; D36-H39 IonicContact OD1-CG 2.69Å; D36-H39 PolarHBondContact OD1-N 3.47Å; D36-H39 WeakPolarHBondContact OD2-CA 3.34Å; D36-H39 WeakPolarHBondContact OD2-CB 3.28Å; H39-D41 PolarHBondContact O-N 2.99Å
40Y53Low73.5Confident43 Ų4356.1 Ų56.117%0.16930%0.297CS..  trans-60.2111169.3-171.1-97.5000106.6Y32 V33 D36 E42 M44Y32-Y40 AromaticContact CD1-CE2 3.81Å; Y32-Y40 HydrophobicContact CD1-CE2 3.81Å; Y32-Y40 AromaticContact CE1-CE2 3.66Å; Y32-Y40 HydrophobicContact CE1-CE2 3.66Å; V33-Y40 HydrophobicContact CG2-CE2 4.3Å; D36-Y40 VanDerWaalsContact CB-N 3.31Å; D36-Y40 VanDerWaalsContact O-CB 3.3Å; D36-Y40 WeakPolarHBondContact O-CB 2.99Å; D36-Y40 PolarHBondContact O-N 3.01Å; D36-Y40 PolarHBondContact OD2-N 3Å; Y40-E42 HydrophobicContact CD1-CG 4.37Å; Y40-E42 PolarHBondContact O-N 3.46Å; Y40-M44 PolarHBondContact OH-O 3.29Å
41D55.6Low74.1Confident52 Ų5257.6 Ų57.628%0.27830%0.301SS..  trans-70.5102.2170.4-167.9-6.7000105R12 H39 N43 M44R12-D41 IonicContact CZ-OD2 3.77Å; R12-D41 IonicContact NH1-OD2 3.43Å; R12-D41 PolarHBondContact NH1-OD2 3.01Å; H39-D41 PolarHBondContact O-N 2.99Å; D41-N43 PolarHBondContact O-N 3.32Å; D41-N43 WeakPolarHBondContact OD1-CB 2.85Å; D41-N43 PolarHBondContact OD1-N 3.5Å; D41-N43 PolarHBondContact OD1-ND2 3.39Å; D41-M44 WeakPolarHBondContact O-CB 3.47Å; D41-M44 PolarHBondContact O-N 3.26Å
42E62.8Low74.7Confident169 Ų16960.7 Ų60.779%0.7932%0.318SS*.THydrogen-bonded Turntrans-51.8-14.4177.2-66.3-178.7171.100112.3Y40Y40-E42 HydrophobicContact CD1-CG 4.37Å; Y40-E42 PolarHBondContact O-N 3.46Å
43N69.4Low75.5Confident107 Ų10761 Ų6157%0.57232%0.324SS*.THydrogen-bonded Turntrans-893.9177.1-51.1-60.1000114.8D41D41-N43 PolarHBondContact O-N 3.32Å; D41-N43 WeakPolarHBondContact OD1-CB 2.85Å; D41-N43 PolarHBondContact OD1-N 3.5Å; D41-N43 PolarHBondContact OD1-ND2 3.39Å
44M83.3Confident76.5Confident9 Ų960.2 Ų60.24%0.04432%0.32CS..EExtended strand (participates in β ladder)trans-83.2118.7-179.4-166.162.8172.200111.8R12 H13 I14 Y32 Y40 D41 D91R12-M44 HydrophobicContact CB-SD 3.7Å; H13-M44 WeakPolarHBondContact O-CE 3.46Å; I14-M44 HydrophobicContact CB-CE 3.95Å; I14-M44 HydrophobicContact CG1-CE 4.21Å; I14-M44 HydrophobicContact CG2-CE 3.19Å; Y32-M44 HydrophobicContact CE1-CG 4.44Å; Y32-M44 WeakPolarHBondContact OH-CG 3.11Å; Y40-M44 PolarHBondContact OH-O 3.29Å; D41-M44 WeakPolarHBondContact O-CB 3.47Å; D41-M44 PolarHBondContact O-N 3.26Å; M44-D91 HydrophobicContact CE-CB 3.85Å; M44-D91 WeakPolarHBondContact CE-OD2 3.45Å
45M90Very high78Confident26 Ų2661.6 Ų61.613%0.12833%0.327CS..EExtended strand (participates in β ladder)trans-94.7139.7177.7-169127.8-69.500112.1L10 R12 H13 I14 T67 R70L10-M45 HydrophobicContact CD2-CB 3.85Å; L10-M45 HydrophobicContact CD2-CG 3.72Å; L10-M45 HydrophobicContact CD2-SD 3.48Å; L10-M45 WeakPolarHBondContact CD2-SD 3.27Å; R12-M45 PolarHBondContact O-N 3.06Å; H13-M45 CarbonylContact C-O 3.59Å; H13-M45 WeakPolarHBondContact CA-O 3.41Å; H13-M45 HydrophobicContact CB-CB 3.95Å; H13-M45 VanDerWaalsContact CB-O 3.24Å; H13-M45 WeakPolarHBondContact CB-O 3.26Å; I14-M45 PolarHBondContact N-O 2.8Å; M45-T67 WeakPolarHBondContact CE-O 3.42Å; M45-R70 HydrophobicContact CG-CG 4.49Å; M45-R70 HydrophobicContact SD-CG 3.95Å; M45-R70 PolarHBondContact SD-NE 2.92Å
46I92.9Very high79.7Confident0 Ų065.7 Ų65.70%034%0.338CS..EExtended strand (participates in β ladder)trans-104.9112.7175.4-56.2171.6000108.5I14 V16 F28 F29 Y32 I48 T68 M69 R70I14-I46 HydrophobicContact CD1-CG1 4.13Å; I14-I46 HydrophobicContact CG1-CB 4.46Å; I14-I46 HydrophobicContact CG1-CG1 4.08Å; V16-I46 HydrophobicContact CB-CG2 4.37Å; V16-I46 HydrophobicContact CG2-CG2 3.61Å; F28-I46 HydrophobicContact CE1-CD1 4.29Å; F28-I46 HydrophobicContact CE1-CG2 4.33Å; F29-I46 HydrophobicContact CD2-CD1 3.73Å; F29-I46 HydrophobicContact CE2-CD1 4.05Å; Y32-I46 HydrophobicContact CD1-CD1 3.73Å; Y32-I46 HydrophobicContact CD1-CG1 4.36Å; Y32-I46 HydrophobicContact CE1-CD1 4.03Å; Y32-I46 HydrophobicContact CE1-CG1 4.16Å; I46-I48 HydrophobicContact CG2-CG1 4.3Å; I46-T68 PolarHBondContact N-O 3.11Å; I46-M69 HydrophobicContact CB-CG 4.05Å; I46-M69 HydrophobicContact CD1-CG 4.17Å; I46-M69 HydrophobicContact CG2-CG 4.38Å; I46-M69 CarbonylContact O-C 3.53Å; I46-M69 WeakPolarHBondContact O-CA 3.44Å; I46-R70 PolarHBondContact O-N 3.27Å
47V95.5Very high81.7Confident10 Ų1066 Ų666%0.06135%0.345CS..EExtended strand (participates in β ladder)trans-98.9108.6176.6-178.60000109L10 H13 I14 V15 V16 R70 L72 A85L10-V47 HydrophobicContact CD1-CG2 3.86Å; H13-V47 HydrophobicContact CB-CG2 4.36Å; I14-V47 PolarHBondContact O-N 3.07Å; V15-V47 CarbonylContact C-O 3.59Å; V15-V47 VanDerWaalsContact CA-O 3.31Å; V15-V47 WeakPolarHBondContact CA-O 3.43Å; V15-V47 HydrophobicContact CG2-CB 4.39Å; V16-V47 PolarHBondContact N-O 3.04Å; V47-R70 CarbonylContact C-O 3.57Å; V47-R70 WeakPolarHBondContact CA-O 3.41Å; V47-L72 HydrophobicContact CG1-CB 4.38Å; V47-A85 HydrophobicContact CG1-CB 4.47Å
48I97.2Very high83.7Confident0 Ų058.8 Ų58.80%031%0.311CS..EExtended strand (participates in β ladder)trans-85.8116.7176.9-63.3157.8000108.5V16 I20 L25 I46 L62 M69 R70 F71 L72V16-I48 CarbonylContact O-C 3.55Å; V16-I48 WeakPolarHBondContact O-CA 3.39Å; I20-I48 HydrophobicContact CD1-CG2 4.14Å; I20-I48 HydrophobicContact CG1-CG2 4.15Å; I20-I48 HydrophobicContact CG2-CG2 3.68Å; L25-I48 HydrophobicContact CD1-CD1 3.58Å; L25-I48 HydrophobicContact CD1-CG1 4.14Å; L25-I48 HydrophobicContact CD1-CG2 4.1Å; L25-I48 HydrophobicContact CD2-CD1 4.23Å; L25-I48 HydrophobicContact CD2-CG1 4.24Å; I46-I48 HydrophobicContact CG2-CG1 4.3Å; I48-L62 HydrophobicContact CD1-CD2 3.51Å; I48-M69 HydrophobicContact CD1-CB 4.43Å; I48-M69 HydrophobicContact CD1-SD 3.96Å; I48-R70 PolarHBondContact N-O 2.84Å; I48-F71 HydrophobicContact CB-CD2 4.19Å; I48-F71 HydrophobicContact CG2-CD2 3.74Å; I48-F71 HydrophobicContact CG2-CE2 4.08Å; I48-L72 PolarHBondContact O-N 3.08Å
49L97.8Very high85.9Confident3 Ų359 Ų592%0.01631%0.305CS..EExtended strand (participates in β ladder)trans-106.5117.1175.9176.259.2000109.4V15 V16 C17 L72 G74 V76 L82 A85V15-L49 HydrophobicContact CG1-CB 4.18Å; V16-L49 PolarHBondContact O-N 3.32Å; C17-L49 HydrophobicContact CB-CB 4.33Å; C17-L49 WeakPolarHBondContact CB-O 3.48Å; L49-L72 WeakPolarHBondContact CA-O 3.44Å; L49-L72 HydrophobicContact CD1-CB 4.44Å; L49-L72 HydrophobicContact CD1-CD2 4.14Å; L49-L72 HydrophobicContact CD1-CG 4.33Å; L49-G74 WeakPolarHBondContact CD1-O 3.47Å; L49-V76 HydrophobicContact CD2-CG1 3.75Å; L49-V76 HydrophobicContact CG-CG1 4.27Å; L49-L82 HydrophobicContact CD2-CD2 4.04Å; L49-A85 HydrophobicContact CD2-CB 4.27Å
50S97Very high88.1Confident13 Ų1355.8 Ų55.89%0.09130%0.299CS..EExtended strand (participates in β ladder)trans-147.9147.2179-1660000112.3I52 L72 K73 G74S50-I52 PolarHBondContact OG-N 2.88Å; S50-L72 PolarHBondContact N-O 3.39Å; S50-K73 WeakPolarHBondContact O-CA 3.47Å; S50-G74 CarbonylContact C-O 3.59Å; S50-G74 PolarHBondContact O-N 2.87Å
51E95.1Very high90Very high119 Ų11953.9 Ų53.956%0.55629%0.291SS*.SBendtrans-76.8-29.2174.6-64.7-178.6-149.400112G74 S75E51-G74 WeakPolarHBondContact CG-O 3.37Å; E51-G74 PolarHBondContact N-O 3.03Å; E51-S75 VanDerWaalsContact OE1-CB 3.24Å; E51-S75 WeakPolarHBondContact OE1-CB 3.2Å; E51-S75 PolarHBondContact OE1-OG 3.42Å
52I94.3Very high91.9Very high130 Ų13052 Ų5267%0.66728%0.281SS*.SBendtrans-92128.6-175.1-55.5175000108.4S50 F71S50-I52 PolarHBondContact OG-N 2.88Å; I52-F71 WeakPolarHBondContact O-CZ 3.24Å
53D94.8Very high93.4Very high70 Ų7049.9 Ų49.937%0.37427%0.271SS..PPolyproline II helixtrans-60.7144174-77.4-59.2000111.2D55 K73D53-D55 PolarHBondContact O-N 3.28Å; D53-K73 WeakPolarHBondContact OD1-CD 3.39Å; D53-K73 IonicContact OD1-NZ 3.61Å; D53-K73 WeakPolarHBondContact OD2-CE 3.48Å; D53-K73 IonicContact OD2-NZ 2.65Å; D53-K73 PolarHBondContact OD2-NZ 3.4Å
54P95.3Very high94.4Very high21 Ų2152.4 Ų52.414%0.13627%0.273CS..PPolyproline II helixtrans-65.1135-179.528.3-34.3000110.3L58 T59 L62 F71P54-L58 HydrophobicContact CB-CB 3.93Å; P54-L58 HydrophobicContact CB-CD2 3.71Å; P54-L58 HydrophobicContact CB-CG 3.64Å; P54-T59 PolarHBondContact O-OG1 3.16Å; P54-L62 HydrophobicContact CB-CD1 3.83Å; P54-L62 HydrophobicContact CG-CD1 3.98Å; P54-F71 HydrophobicContact CG-CD1 4.46Å; P54-F71 HydrophobicContact CG-CE1 4.45Å
55D95.5Very high94.7Very high85 Ų8553.9 Ų53.946%0.45528%0.28SS..  trans-65.7179.3169.867.222.6000111.5D53 S57 L58 T59D53-D55 PolarHBondContact O-N 3.28Å; D55-S57 VanDerWaalsContact C-N 3.31Å; D55-S57 PolarHBondContact O-N 2.93Å; D55-S57 PolarHBondContact OD1-N 2.97Å; D55-S57 VanDerWaalsContact OD1-N 3.12Å; D55-L58 PolarHBondContact O-N 3.05Å; D55-L58 VanDerWaalsContact OD1-CB 3.29Å; D55-L58 WeakPolarHBondContact OD1-CB 3.11Å; D55-L58 PolarHBondContact OD1-N 3.44Å; D55-T59 WeakPolarHBondContact O-CB 3.34Å; D55-T59 PolarHBondContact O-N 3.23Å; D55-T59 PolarHBondContact O-OG1 3.49Å
56I96.6Very high94.5Very high154 Ų15456 Ų5679%0.7930%0.297SS*.Hα-helixtrans-59.7-43.3-177.8-61.4169.6000111T59 A60I56-T59 PolarHBondContact O-N 2.97Å; I56-A60 WeakPolarHBondContact O-CB 3.29Å; I56-A60 PolarHBondContact O-N 2.86Å
57S96Very high94.2Very high62 Ų6261.4 Ų61.443%0.43433%0.33SS..Hα-helixtrans-67-45.1-177.7-61.30000111.8Y22 D55 A60 L61Y22-S57 VanDerWaalsContact CD2-O 3.3Å; Y22-S57 WeakPolarHBondContact CD2-O 3.49Å; D55-S57 VanDerWaalsContact C-N 3.31Å; D55-S57 PolarHBondContact O-N 2.93Å; D55-S57 PolarHBondContact OD1-N 2.97Å; D55-S57 VanDerWaalsContact OD1-N 3.12Å; S57-A60 PolarHBondContact O-N 3.32Å; S57-L61 PolarHBondContact O-N 2.95Å; S57-L61 VanDerWaalsContact O-N 3.08Å
58L95.4Very high93.8Very high4 Ų462.1 Ų62.12%0.02134%0.335CS..Hα-helixtrans-68.1-38.6176.3-179.854.7000111.1I20 L25 P54 D55 A60 L61 L62I20-L58 HydrophobicContact CG2-CD2 3.89Å; L25-L58 HydrophobicContact CB-CD1 4.37Å; L25-L58 HydrophobicContact CD1-CD1 3.5Å; L25-L58 HydrophobicContact CD1-CD2 4.21Å; P54-L58 HydrophobicContact CB-CB 3.93Å; P54-L58 HydrophobicContact CB-CD2 3.71Å; P54-L58 HydrophobicContact CB-CG 3.64Å; D55-L58 PolarHBondContact O-N 3.05Å; D55-L58 VanDerWaalsContact OD1-CB 3.29Å; D55-L58 WeakPolarHBondContact OD1-CB 3.11Å; D55-L58 PolarHBondContact OD1-N 3.44Å; L58-A60 VanDerWaalsContact C-N 3.31Å; L58-A60 PolarHBondContact O-N 3.21Å; L58-L61 HydrophobicContact CD1-CD2 4.22Å; L58-L61 WeakPolarHBondContact O-CB 3.49Å; L58-L61 PolarHBondContact O-N 2.88Å; L58-L62 HydrophobicContact CD1-CD1 4.33Å; L58-L62 HydrophobicContact CD1-CG 4.15Å; L58-L62 HydrophobicContact CG-CD1 4.02Å; L58-L62 HydrophobicContact CG-CG 4.35Å; L58-L62 WeakPolarHBondContact O-CB 3.27Å; L58-L62 VanDerWaalsContact O-CG 3.23Å; L58-L62 WeakPolarHBondContact O-CG 3.24Å; L58-L62 PolarHBondContact O-N 3.31Å
59T96.2Very high93.5Very high43 Ų4362.3 Ų62.326%0.26434%0.336SS..Hα-helixtrans-59.7-43.1174-63.70000111.2P54 D55 I56 L62 Q63P54-T59 PolarHBondContact O-OG1 3.16Å; D55-T59 WeakPolarHBondContact O-CB 3.34Å; D55-T59 PolarHBondContact O-N 3.23Å; D55-T59 PolarHBondContact O-OG1 3.49Å; I56-T59 PolarHBondContact O-N 2.97Å; T59-L62 PolarHBondContact O-N 3.19Å; T59-Q63 HydrophobicContact CG2-CG 4.48Å; T59-Q63 WeakPolarHBondContact O-CB 3.39Å; T59-Q63 VanDerWaalsContact O-CG 3.29Å; T59-Q63 WeakPolarHBondContact O-CG 2.99Å; T59-Q63 PolarHBondContact O-N 2.79Å
60A95.9Very high93.2Very high52 Ų5266.3 Ų66.343%0.4335%0.35SS..Hα-helixtrans-62.5-42.4175.700000112.1I56 S57 L58 Q63 R64I56-A60 WeakPolarHBondContact O-CB 3.29Å; I56-A60 PolarHBondContact O-N 2.86Å; S57-A60 PolarHBondContact O-N 3.32Å; L58-A60 VanDerWaalsContact C-N 3.31Å; L58-A60 PolarHBondContact O-N 3.21Å; A60-Q63 PolarHBondContact O-N 3.12Å; A60-R64 WeakPolarHBondContact O-CB 3.19Å; A60-R64 PolarHBondContact O-N 3.14Å
61L94.3Very high93.1Very high3 Ų366.1 Ų66.12%0.01635%0.348CS..Hα-helixtrans-60.8-47.9174.5178.862.8000111.7Y22 L25 S57 L58 Q63 R64 E65 M69Y22-L61 HydrophobicContact CD2-CB 4.08Å; Y22-L61 HydrophobicContact CD2-CD2 4.19Å; Y22-L61 HydrophobicContact CE2-CB 4.07Å; Y22-L61 HydrophobicContact CE2-CD2 4.36Å; L25-L61 HydrophobicContact CB-CD2 4.28Å; S57-L61 PolarHBondContact O-N 2.95Å; S57-L61 VanDerWaalsContact O-N 3.08Å; L58-L61 HydrophobicContact CD1-CD2 4.22Å; L58-L61 WeakPolarHBondContact O-CB 3.49Å; L58-L61 PolarHBondContact O-N 2.88Å; L61-Q63 VanDerWaalsContact C-N 3.3Å; L61-Q63 PolarHBondContact O-N 3.13Å; L61-R64 VanDerWaalsContact CD1-NH2 3.3Å; L61-R64 PolarHBondContact O-N 3.27Å; L61-E65 HydrophobicContact CD1-CG 4.02Å; L61-E65 PolarHBondContact O-N 3.03Å; L61-M69 HydrophobicContact CD1-CE 4.02Å; L61-M69 HydrophobicContact CD2-CE 4.28Å; L61-M69 HydrophobicContact CG-CE 3.83Å
62L94.4Very high93.2Very high13 Ų1361.4 Ų61.47%0.06833%0.326CS..Hα-helixtrans-63-34.3178.8-70.8168.3000112.8I48 P54 L58 T59 S66 M69 F71I48-L62 HydrophobicContact CD1-CD2 3.51Å; P54-L62 HydrophobicContact CB-CD1 3.83Å; P54-L62 HydrophobicContact CG-CD1 3.98Å; L58-L62 HydrophobicContact CD1-CD1 4.33Å; L58-L62 HydrophobicContact CD1-CG 4.15Å; L58-L62 HydrophobicContact CG-CD1 4.02Å; L58-L62 HydrophobicContact CG-CG 4.35Å; L58-L62 WeakPolarHBondContact O-CB 3.27Å; L58-L62 VanDerWaalsContact O-CG 3.23Å; L58-L62 WeakPolarHBondContact O-CG 3.24Å; L58-L62 PolarHBondContact O-N 3.31Å; T59-L62 PolarHBondContact O-N 3.19Å; L62-S66 WeakPolarHBondContact O-CA 3.44Å; L62-S66 PolarHBondContact O-N 3.15Å; L62-M69 HydrophobicContact CD2-CB 4.32Å; L62-F71 HydrophobicContact CD1-CB 3.71Å; L62-F71 HydrophobicContact CD1-CD2 4.03Å; L62-F71 HydrophobicContact CD1-CG 4.04Å; L62-F71 HydrophobicContact CD2-CB 4.06Å
63Q93.9Very high93.3Very high124 Ų12459.3 Ų59.358%0.57931%0.313SS*.Hα-helixtrans-71-45.5175.1-75.4175.91.400111.3T59 A60 L61 E65 S66T59-Q63 HydrophobicContact CG2-CG 4.48Å; T59-Q63 WeakPolarHBondContact O-CB 3.39Å; T59-Q63 VanDerWaalsContact O-CG 3.29Å; T59-Q63 WeakPolarHBondContact O-CG 2.99Å; T59-Q63 PolarHBondContact O-N 2.79Å; A60-Q63 PolarHBondContact O-N 3.12Å; L61-Q63 VanDerWaalsContact C-N 3.3Å; L61-Q63 PolarHBondContact O-N 3.13Å; Q63-E65 VanDerWaalsContact C-N 3.31Å; Q63-E65 PolarHBondContact O-N 3.37Å; Q63-S66 WeakPolarHBondContact O-CB 3.24Å; Q63-S66 PolarHBondContact O-N 3.19Å; Q63-S66 PolarHBondContact O-OG 3.18Å; Q63-S66 VanDerWaalsContact O-OG 3.07Å
64R92.1Very high93.4Very high159 Ų15956.4 Ų56.460%0.630%0.299SS*.Hα-helixtrans-59.3-43.3179.1-170.1-179.474.5-165.53.6111.7A60 L61A60-R64 WeakPolarHBondContact O-CB 3.19Å; A60-R64 PolarHBondContact O-N 3.14Å; L61-R64 VanDerWaalsContact CD1-NH2 3.3Å; L61-R64 PolarHBondContact O-N 3.27Å
65E88.1Confident93.4Very high40 Ų4055.9 Ų55.919%0.18730%0.296CS..THydrogen-bonded Turntrans-103.831.1-176.2-49.4-59.3160.500112.4F29 L61 Q63 T67 T68 M69F29-E65 HydrophobicContact CD1-CG 4.26Å; F29-E65 HydrophobicContact CE1-CB 4.25Å; F29-E65 VanDerWaalsContact CE1-CD 3.43Å; F29-E65 HydrophobicContact CE1-CG 3.55Å; F29-E65 HydrophobicContact CE2-CB 4.3Å; F29-E65 HydrophobicContact CE2-CG 4.44Å; F29-E65 HydrophobicContact CZ-CB 3.8Å; F29-E65 HydrophobicContact CZ-CG 3.63Å; F29-E65 WeakPolarHBondContact CZ-OE2 3.49Å; L61-E65 HydrophobicContact CD1-CG 4.02Å; L61-E65 PolarHBondContact O-N 3.03Å; Q63-E65 VanDerWaalsContact C-N 3.31Å; Q63-E65 PolarHBondContact O-N 3.37Å; E65-T67 PolarHBondContact O-N 2.88Å; E65-T67 VanDerWaalsContact O-N 3.09Å; E65-T68 PolarHBondContact O-N 3.25Å; E65-T68 PolarHBondContact O-OG1 2.98Å; E65-M69 HydrophobicContact CB-CB 4.45Å; E65-M69 HydrophobicContact CB-CE 3.35Å; E65-M69 HydrophobicContact CB-CG 4.42Å; E65-M69 HydrophobicContact CG-CE 3.49Å; E65-M69 VanDerWaalsContact CG-CE 3.49Å; E65-M69 PolarHBondContact O-N 2.85Å
66S87.1Confident93.4Very high72 Ų7252.4 Ų52.450%0.50328%0.278SS..THydrogen-bonded Turntrans-63.9-16.6-173.354.20000114.9L62 Q63L62-S66 WeakPolarHBondContact O-CA 3.44Å; L62-S66 PolarHBondContact O-N 3.15Å; Q63-S66 WeakPolarHBondContact O-CB 3.24Å; Q63-S66 PolarHBondContact O-N 3.19Å; Q63-S66 PolarHBondContact O-OG 3.18Å; Q63-S66 VanDerWaalsContact O-OG 3.07Å
67T86Confident93.2Very high112 Ų11249 Ų4969%0.68727%0.265SS*.THydrogen-bonded Turntrans-77.8-23.5175.751.70000113M45 E65M45-T67 WeakPolarHBondContact CE-O 3.42Å; E65-T67 PolarHBondContact O-N 2.88Å; E65-T67 VanDerWaalsContact O-N 3.09Å
68T86.8Confident93.2Very high25 Ų2550.2 Ų50.215%0.15327%0.266CS..THydrogen-bonded Turntrans-120.7-30-174.555.70000112.6F29 I46 E65F29-T68 WeakPolarHBondContact CE2-OG1 3.38Å; F29-T68 WeakPolarHBondContact CZ-OG1 3.37Å; I46-T68 PolarHBondContact N-O 3.11Å; E65-T68 PolarHBondContact O-N 3.25Å; E65-T68 PolarHBondContact O-OG1 2.98Å
69M91.2Very high93.1Very high5 Ų553.4 Ų53.43%0.02529%0.286CS..EExtended strand (participates in β ladder)trans-110.1137.4178.8-70-162.8-82.800112.5F29 I46 I48 L61 L62 E65F29-M69 HydrophobicContact CB-CE 4.15Å; F29-M69 HydrophobicContact CB-SD 4.25Å; F29-M69 HydrophobicContact CD1-CE 3.98Å; F29-M69 HydrophobicContact CD2-CE 3.41Å; F29-M69 VanDerWaalsContact CD2-CE 3.41Å; F29-M69 HydrophobicContact CD2-CG 3.76Å; F29-M69 HydrophobicContact CD2-SD 3.45Å; F29-M69 WeakPolarHBondContact CD2-SD 3.37Å; F29-M69 HydrophobicContact CE1-CE 4.19Å; F29-M69 HydrophobicContact CE2-CE 3.65Å; F29-M69 HydrophobicContact CE2-CG 3.71Å; F29-M69 HydrophobicContact CE2-SD 3.96Å; F29-M69 HydrophobicContact CG-CE 3.57Å; F29-M69 HydrophobicContact CG-SD 3.99Å; F29-M69 HydrophobicContact CZ-CE 4.02Å; I46-M69 HydrophobicContact CB-CG 4.05Å; I46-M69 HydrophobicContact CD1-CG 4.17Å; I46-M69 HydrophobicContact CG2-CG 4.38Å; I46-M69 CarbonylContact O-C 3.53Å; I46-M69 WeakPolarHBondContact O-CA 3.44Å; I48-M69 HydrophobicContact CD1-CB 4.43Å; I48-M69 HydrophobicContact CD1-SD 3.96Å; L61-M69 HydrophobicContact CD1-CE 4.02Å; L61-M69 HydrophobicContact CD2-CE 4.28Å; L61-M69 HydrophobicContact CG-CE 3.83Å; L62-M69 HydrophobicContact CD2-CB 4.32Å; E65-M69 HydrophobicContact CB-CB 4.45Å; E65-M69 HydrophobicContact CB-CE 3.35Å; E65-M69 HydrophobicContact CB-CG 4.42Å; E65-M69 HydrophobicContact CG-CE 3.49Å; E65-M69 VanDerWaalsContact CG-CE 3.49Å; E65-M69 PolarHBondContact O-N 2.85Å
70R91.5Very high93.2Very high86 Ų8658.7 Ų58.733%0.32531%0.308SS..EExtended strand (participates in β ladder)trans-131.5136.4172.8-66.2-171.7178-152.71.3110.8M45 I46 V47 I48M45-R70 HydrophobicContact CG-CG 4.49Å; M45-R70 HydrophobicContact SD-CG 3.95Å; M45-R70 PolarHBondContact SD-NE 2.92Å; I46-R70 PolarHBondContact O-N 3.27Å; V47-R70 CarbonylContact C-O 3.57Å; V47-R70 WeakPolarHBondContact CA-O 3.41Å; I48-R70 PolarHBondContact N-O 2.84Å
71F95.8Very high93.2Very high10 Ų1056.9 Ų56.94%0.04429%0.291CS..EExtended strand (participates in β ladder)trans-100.3129.1177-175.8-90.1000111I48 I52 P54 L62 K73I48-F71 HydrophobicContact CB-CD2 4.19Å; I48-F71 HydrophobicContact CG2-CD2 3.74Å; I48-F71 HydrophobicContact CG2-CE2 4.08Å; I52-F71 WeakPolarHBondContact O-CZ 3.24Å; P54-F71 HydrophobicContact CG-CD1 4.46Å; P54-F71 HydrophobicContact CG-CE1 4.45Å; L62-F71 HydrophobicContact CD1-CB 3.71Å; L62-F71 HydrophobicContact CD1-CD2 4.03Å; L62-F71 HydrophobicContact CD1-CG 4.04Å; L62-F71 HydrophobicContact CD2-CB 4.06Å; F71-K73 HydrophobicContact CE1-CB 4Å
72L96.2Very high93.4Very high19 Ų1956.8 Ų56.810%0.09929%0.291CS..EExtended strand (participates in β ladder)trans-119.2113.6175-171.471.1000108.7V47 I48 L49 S50 G74 R84 A85V47-L72 HydrophobicContact CG1-CB 4.38Å; I48-L72 PolarHBondContact O-N 3.08Å; L49-L72 WeakPolarHBondContact CA-O 3.44Å; L49-L72 HydrophobicContact CD1-CB 4.44Å; L49-L72 HydrophobicContact CD1-CD2 4.14Å; L49-L72 HydrophobicContact CD1-CG 4.33Å; S50-L72 PolarHBondContact N-O 3.39Å; L72-G74 PolarHBondContact O-N 3.4Å; L72-R84 HydrophobicContact CD2-CB 3.92Å; L72-A85 HydrophobicContact CD2-CB 3.73Å
73K96.7Very high93.4Very high87 Ų8761.4 Ų61.438%0.37831%0.312SS..EExtended strand (participates in β ladder)trans-72.3122.4171.1-170.3177.7-175.4168.40109.4I2 S50 D53 F71 R84I2-K73 HydrophobicContact CG2-CB 4.46Å; S50-K73 WeakPolarHBondContact O-CA 3.47Å; D53-K73 WeakPolarHBondContact OD1-CD 3.39Å; D53-K73 IonicContact OD1-NZ 3.61Å; D53-K73 WeakPolarHBondContact OD2-CE 3.48Å; D53-K73 IonicContact OD2-NZ 2.65Å; D53-K73 PolarHBondContact OD2-NZ 3.4Å; F71-K73 HydrophobicContact CE1-CB 4Å; K73-R84 PolarHBondContact O-NH1 3.5Å; K73-R84 PolarHBondContact O-NH2 3.48Å
74G96Very high93.5Very high9 Ų960 Ų609%0.09330%0.301CS..  trans170.7167.4-18000000113.1L49 S50 E51 L72 D81L49-G74 WeakPolarHBondContact CD1-O 3.47Å; S50-G74 CarbonylContact C-O 3.59Å; S50-G74 PolarHBondContact O-N 2.87Å; E51-G74 WeakPolarHBondContact CG-O 3.37Å; E51-G74 PolarHBondContact N-O 3.03Å; L72-G74 PolarHBondContact O-N 3.4Å; G74-D81 WeakPolarHBondContact CA-OD2 3.31Å
75S96Very high93.6Very high10 Ų1052.5 Ų52.57%0.0727%0.274CS..  trans-104.4138.4177-176.30000111.1E51 T77 L78 D81E51-S75 VanDerWaalsContact OE1-CB 3.24Å; E51-S75 WeakPolarHBondContact OE1-CB 3.2Å; E51-S75 PolarHBondContact OE1-OG 3.42Å; S75-T77 PolarHBondContact O-N 3.2Å; S75-T77 PolarHBondContact OG-N 2.99Å; S75-T77 PolarHBondContact OG-OG1 3.43Å; S75-L78 PolarHBondContact O-N 3.24Å; S75-D81 PolarHBondContact N-OD2 2.8Å; S75-D81 WeakPolarHBondContact O-CB 3.42Å
76V95.2Very high93.9Very high12 Ų1253.9 Ų53.97%0.07328%0.279CS..THydrogen-bonded Turntrans-65.2-17171.9-64.60000113.1C17 L49 L78 L82 C114 S117C17-V76 HydrophobicContact CB-CG1 3.97Å; L49-V76 HydrophobicContact CD2-CG1 3.75Å; L49-V76 HydrophobicContact CG-CG1 4.27Å; V76-L78 VanDerWaalsContact C-N 3.29Å; V76-L82 HydrophobicContact CB-CD2 4.2Å; V76-L82 HydrophobicContact CG1-CD2 4.37Å; V76-L82 VanDerWaalsContact O-CD1 3.32Å; V76-L82 WeakPolarHBondContact O-CD1 3.34Å; V76-C114 HydrophobicContact CG2-CB 4.05Å; V76-C114 VanDerWaalsContact CG2-SG 3.6Å; V76-S117 VanDerWaalsContact O-CB 3.32Å; V76-S117 WeakPolarHBondContact O-CB 3.25Å
77T92.1Very high94.4Very high83 Ų8350.5 Ų50.551%0.50926%0.255SS..THydrogen-bonded Turntrans-78.2-17.9178.364.60000112.3S75S75-T77 PolarHBondContact O-N 3.2Å; S75-T77 PolarHBondContact OG-N 2.99Å; S75-T77 PolarHBondContact OG-OG1 3.43Å
78L95.7Very high94.7Very high87 Ų8754 Ų5446%0.45526%0.256SS..SBendtrans-95.9119.1-178.8-62.5178.7000110.4S75 V76 E80 D81 L82S75-L78 PolarHBondContact O-N 3.24Å; V76-L78 VanDerWaalsContact C-N 3.29Å; L78-E80 PolarHBondContact O-N 3.32Å; L78-D81 HydrophobicContact CB-CB 4.31Å; L78-D81 PolarHBondContact O-N 3.45Å; L78-D81 VanDerWaalsContact O-N 3.15Å; L78-L82 PolarHBondContact O-N 3.35Å
79P95.2Very high95Very high70 Ų7057.2 Ų57.246%0.45528%0.276SS..Hα-helixtrans-55.5-35.8178.5-26.634.2000113.8D81 L82 E83 L121P79-D81 VanDerWaalsContact C-N 3.34Å; P79-D81 PolarHBondContact O-N 2.85Å; P79-L82 PolarHBondContact O-N 3.18Å; P79-E83 PolarHBondContact O-N 2.88Å; P79-L121 HydrophobicContact CB-CD1 3.66Å; P79-L121 HydrophobicContact CG-CD1 3.98Å
80E96.8Very high95.1Very high154 Ų15457.4 Ų57.472%0.7228%0.278SS*.Hα-helixtrans-63.2-38.8-179.7-63.4169.3-166.600112.3L78 E83 R84L78-E80 PolarHBondContact O-N 3.32Å; E80-E83 PolarHBondContact O-N 3.25Å; E80-R84 WeakPolarHBondContact O-CB 3.48Å; E80-R84 VanDerWaalsContact O-CG 3.31Å; E80-R84 WeakPolarHBondContact O-CG 3.42Å; E80-R84 PolarHBondContact O-N 3.47Å
81D97.2Very high95.2Very high15 Ų1556.5 Ų56.58%0.0828%0.28CS..Hα-helixtrans-74.4-34.7179-74.2-23000111.7G74 S75 L78 P79 R84 A85G74-D81 WeakPolarHBondContact CA-OD2 3.31Å; S75-D81 PolarHBondContact N-OD2 2.8Å; S75-D81 WeakPolarHBondContact O-CB 3.42Å; L78-D81 HydrophobicContact CB-CB 4.31Å; L78-D81 PolarHBondContact O-N 3.45Å; L78-D81 VanDerWaalsContact O-N 3.15Å; P79-D81 VanDerWaalsContact C-N 3.34Å; P79-D81 PolarHBondContact O-N 2.85Å; D81-R84 PolarHBondContact O-N 3.34Å; D81-R84 IonicContact OD1-CZ 3.49Å; D81-R84 IonicContact OD1-NE 3.97Å; D81-R84 IonicContact OD1-NH1 2.66Å; D81-R84 PolarHBondContact OD1-NH1 3.39Å; D81-A85 WeakPolarHBondContact O-CB 3.28Å; D81-A85 PolarHBondContact O-N 3.46Å
82L96.8Very high95.1Very high1 Ų156.3 Ų56.31%0.00528%0.28CS..Hα-helixtrans-66-37.8172-63.7176.8000112L49 V76 L78 P79 A85 K86 V87 I118 L121 Y122L49-L82 HydrophobicContact CD2-CD2 4.04Å; V76-L82 HydrophobicContact CB-CD2 4.2Å; V76-L82 HydrophobicContact CG1-CD2 4.37Å; V76-L82 VanDerWaalsContact O-CD1 3.32Å; V76-L82 WeakPolarHBondContact O-CD1 3.34Å; L78-L82 PolarHBondContact O-N 3.35Å; P79-L82 PolarHBondContact O-N 3.18Å; L82-A85 CarbonylContact O-C 3.57Å; L82-A85 PolarHBondContact O-N 3.26Å; L82-K86 PolarHBondContact O-N 2.82Å; L82-K86 VanDerWaalsContact O-N 3.16Å; L82-V87 HydrophobicContact CB-CG2 4.21Å; L82-V87 HydrophobicContact CD2-CG2 3.94Å; L82-V87 WeakPolarHBondContact O-CG2 3.41Å; L82-V87 PolarHBondContact O-N 3.41Å; L82-V87 VanDerWaalsContact O-N 3.1Å; L82-I118 HydrophobicContact CD1-CG1 4.33Å; L82-I118 HydrophobicContact CD2-CD1 4.43Å; L82-I118 HydrophobicContact CD2-CG1 3.92Å; L82-L121 HydrophobicContact CD1-CD1 3.68Å; L82-Y122 HydrophobicContact CB-CE2 4.06Å
83E95.6Very high95.1Very high109 Ų10955.4 Ų55.451%0.50928%0.275SS..Hα-helixtrans-68.3-42.6174.5-170.263.8-155.100111.1P79 E80 A85 K86 Y122P79-E83 PolarHBondContact O-N 2.88Å; E80-E83 PolarHBondContact O-N 3.25Å; E83-A85 VanDerWaalsContact C-N 3.29Å; E83-A85 PolarHBondContact O-N 2.94Å; E83-K86 WeakPolarHBondContact O-CA 3.23Å; E83-K86 PolarHBondContact O-N 2.9Å; E83-Y122 PolarHBondContact OE2-OH 3.28Å
84R94.7Very high95.2Very high95 Ų9552.1 Ų52.136%0.35826%0.261SS..Hα-helixtrans-59.3-38.4172.2-77.4169.451.8-159.8-4.9112.4L72 K73 E80 D81 K86L72-R84 HydrophobicContact CD2-CB 3.92Å; K73-R84 PolarHBondContact O-NH1 3.5Å; K73-R84 PolarHBondContact O-NH2 3.48Å; E80-R84 WeakPolarHBondContact O-CB 3.48Å; E80-R84 VanDerWaalsContact O-CG 3.31Å; E80-R84 WeakPolarHBondContact O-CG 3.42Å; E80-R84 PolarHBondContact O-N 3.47Å; D81-R84 PolarHBondContact O-N 3.34Å; D81-R84 IonicContact OD1-CZ 3.49Å; D81-R84 IonicContact OD1-NE 3.97Å; D81-R84 IonicContact OD1-NH1 2.66Å; D81-R84 PolarHBondContact OD1-NH1 3.39Å; R84-K86 PolarHBondContact O-N 3.39Å
85A95.1Very high95.3Very high2 Ų251.7 Ų51.72%0.01726%0.257CS..THydrogen-bonded Turntrans-74-4.9173.700000113.3H13 V15 V47 L49 L72 D81 L82 E83 V87H13-A85 PolarHBondContact NE2-O 3.41Å; V15-A85 HydrophobicContact CG1-CB 4.46Å; V15-A85 HydrophobicContact CG2-CB 4.38Å; V47-A85 HydrophobicContact CG1-CB 4.47Å; L49-A85 HydrophobicContact CD2-CB 4.27Å; L72-A85 HydrophobicContact CD2-CB 3.73Å; D81-A85 WeakPolarHBondContact O-CB 3.28Å; D81-A85 PolarHBondContact O-N 3.46Å; L82-A85 CarbonylContact O-C 3.57Å; L82-A85 PolarHBondContact O-N 3.26Å; E83-A85 VanDerWaalsContact C-N 3.29Å; E83-A85 PolarHBondContact O-N 2.94Å; A85-V87 HydrophobicContact CB-CG2 3.94Å; A85-V87 PolarHBondContact O-N 3.23Å
86K95.2Very high95.3Very high69 Ų6951.2 Ų51.230%0.325%0.254SS..THydrogen-bonded Turntrans51.941.6-177.3-61.8-170.4165.5-158.80112.5F8 H13 L82 E83 R84 R88 T89 A90F8-K86 WeakPolarHBondContact O-CE 3.41Å; F8-K86 PolarHBondContact O-NZ 3.44Å; H13-K86 PolarHBondContact CE1-O 2.86Å; H13-K86 PolarHBondContact NE2-O 3.31Å; H13-K86 VanDerWaalsContact NE2-O 3.13Å; L82-K86 PolarHBondContact O-N 2.82Å; L82-K86 VanDerWaalsContact O-N 3.16Å; E83-K86 WeakPolarHBondContact O-CA 3.23Å; E83-K86 PolarHBondContact O-N 2.9Å; R84-K86 PolarHBondContact O-N 3.39Å; K86-R88 PolarHBondContact O-N 3.3Å; K86-T89 PolarHBondContact O-N 3.04Å; K86-T89 VanDerWaalsContact O-N 3.11Å; K86-T89 PolarHBondContact O-OG1 3.04Å; K86-A90 PolarHBondContact O-N 2.85Å
87V96.1Very high95.3Very high0 Ų050.7 Ų50.70%025%0.251CS..G310 helixtrans-57.1-36.5-176.4171.10000111.6V15 L82 A85 T89 A90 V93 I118 Y122 I125V15-V87 HydrophobicContact CB-CG2 4.5Å; V15-V87 HydrophobicContact CG1-CG2 4.35Å; V15-V87 HydrophobicContact CG2-CG2 4.02Å; L82-V87 HydrophobicContact CB-CG2 4.21Å; L82-V87 HydrophobicContact CD2-CG2 3.94Å; L82-V87 WeakPolarHBondContact O-CG2 3.41Å; L82-V87 PolarHBondContact O-N 3.41Å; L82-V87 VanDerWaalsContact O-N 3.1Å; A85-V87 HydrophobicContact CB-CG2 3.94Å; A85-V87 PolarHBondContact O-N 3.23Å; V87-T89 PolarHBondContact O-N 2.71Å; V87-A90 WeakPolarHBondContact O-CB 3.25Å; V87-A90 PolarHBondContact O-N 3.16Å; V87-V93 HydrophobicContact CG1-CG2 3.85Å; V87-I118 HydrophobicContact CG1-CG2 3.99Å; V87-Y122 HydrophobicContact CB-CD2 4.06Å; V87-Y122 HydrophobicContact CB-CE2 3.95Å; V87-Y122 HydrophobicContact CG1-CD2 3.66Å; V87-Y122 HydrophobicContact CG1-CE2 4.08Å; V87-Y122 HydrophobicContact CG1-CG 4.5Å; V87-I125 HydrophobicContact CG1-CG1 4.37Å; V87-I125 WeakPolarHBondContact O-CD1 3.42Å
88R93.4Very high95.4Very high186 Ų18648.6 Ų48.670%0.70224%0.236SC*.G310 helixtrans-54.9-35.2178.3-173.2177.3173.5-176-0.8114K86 Y122K86-R88 PolarHBondContact O-N 3.3Å; R88-Y122 HydrophobicContact CB-CD1 3.82Å; R88-Y122 HydrophobicContact CB-CE1 3.61Å; R88-Y122 HydrophobicContact CG-CD1 4.02Å; R88-Y122 HydrophobicContact CG-CE1 4.05Å
89T92.8Very high95.1Very high93 Ų9348.2 Ų48.257%0.57123%0.231SC*.G310 helixtrans-108.65.9-176.1670000112.7K86 V87K86-T89 PolarHBondContact O-N 3.04Å; K86-T89 VanDerWaalsContact O-N 3.11Å; K86-T89 PolarHBondContact O-OG1 3.04Å; V87-T89 PolarHBondContact O-N 2.71Å
90A94.2Very high94.7Very high9 Ų949.3 Ų49.37%0.07424%0.239CC..  trans-69.1152.5173.300000110.2H13 V15 K86 V87 A92 I125H13-A90 CarbonylContact O-C 3.59Å; H13-A90 WeakPolarHBondContact O-CA 3.4Å; V15-A90 HydrophobicContact CG2-CB 4.05Å; K86-A90 PolarHBondContact O-N 2.85Å; V87-A90 WeakPolarHBondContact O-CB 3.25Å; V87-A90 PolarHBondContact O-N 3.16Å; A90-A92 VanDerWaalsContact C-N 3.35Å; A90-I125 HydrophobicContact CB-CD1 4.37Å; A90-I125 WeakPolarHBondContact O-CD1 3.25Å
91D92.2Very high94.5Very high67 Ų6743.1 Ų43.136%0.35821%0.213SC..SBendtrans-71.3-35.6174.1-75.8-7.1000111.3R12 H13 I14 M44R12-D91 IonicContact CZ-OD2 3.39Å; R12-D91 VanDerWaalsContact CZ-OD2 3.22Å; R12-D91 IonicContact NE-OD1 3.99Å; R12-D91 IonicContact NE-OD2 2.93Å; R12-D91 PolarHBondContact NE-OD2 2.66Å; R12-D91 IonicContact NH2-OD2 3.98Å; R12-D91 PolarHBondContact NH2-OD2 3.24Å; H13-D91 PolarHBondContact O-N 3.49Å; I14-D91 HydrophobicContact CG2-CB 4.49Å; M44-D91 HydrophobicContact CE-CB 3.85Å; M44-D91 WeakPolarHBondContact CE-OD2 3.45Å
92A94Very high94.4Very high6 Ų651.5 Ų51.55%0.0525%0.251CS..EExtended strand (participates in β ladder)trans-161160.917500000111.4I14 V15 A90 R126I14-A92 WeakPolarHBondContact CA-O 3.37Å; I14-A92 HydrophobicContact CG2-CB 4.25Å; V15-A92 PolarHBondContact N-O 3.23Å; V15-A92 VanDerWaalsContact N-O 3.08Å; A90-A92 VanDerWaalsContact C-N 3.35Å; A92-R126 CarbonylContact C-O 3.04Å; A92-R126 VanDerWaalsContact CA-O 3.3Å; A92-R126 WeakPolarHBondContact CA-O 3.12Å; A92-R126 HydrophobicContact CB-CB 4.3Å; A92-R126 HydrophobicContact CB-CG 4.38Å
93V97.2Very high94.4Very high0 Ų054.6 Ų54.60%027%0.27CS..EExtended strand (participates in β ladder)trans-106.4131.8163.6-173.80000109.4V15 V87 I95 I118 I125 R126 I127 I128V15-V93 HydrophobicContact CB-CG1 4.39Å; V15-V93 HydrophobicContact CB-CG2 4.3Å; V15-V93 CarbonylContact O-C 3.58Å; V15-V93 VanDerWaalsContact O-CA 3.3Å; V15-V93 WeakPolarHBondContact O-CA 3.35Å; V87-V93 HydrophobicContact CG1-CG2 3.85Å; V93-I95 HydrophobicContact CG1-CG1 4.19Å; V93-I118 HydrophobicContact CB-CD1 4.46Å; V93-I118 HydrophobicContact CG1-CD1 3.77Å; V93-I118 HydrophobicContact CG2-CD1 4.37Å; V93-I118 HydrophobicContact CG2-CG2 4.37Å; V93-I125 HydrophobicContact CG2-CG1 3.99Å; V93-R126 PolarHBondContact N-O 2.69Å; V93-I127 HydrophobicContact CB-CG1 4.33Å; V93-I127 CarbonylContact O-C 3.56Å; V93-I127 WeakPolarHBondContact O-CA 3.43Å; V93-I128 PolarHBondContact O-N 3.37Å
94I97.2Very high94.4Very high17 Ų1751.2 Ų51.29%0.08726%0.258CS..EExtended strand (participates in β ladder)trans-111.9121.3175.2-55.5-178.7000108.4I14 V15 V16 C17 F28 L96 I128I14-I94 HydrophobicContact CD1-CD1 3.76Å; V15-I94 PolarHBondContact O-N 3.1Å; V16-I94 CarbonylContact C-O 3.53Å; V16-I94 VanDerWaalsContact CA-O 3.3Å; V16-I94 WeakPolarHBondContact CA-O 3.48Å; V16-I94 HydrophobicContact CG2-CB 4.35Å; C17-I94 PolarHBondContact N-O 2.84Å; F28-I94 HydrophobicContact CE2-CD1 3.71Å; F28-I94 HydrophobicContact CE2-CG2 4.23Å; F28-I94 HydrophobicContact CZ-CD1 3.74Å; I94-L96 HydrophobicContact CG2-CD2 3.68Å; I94-L96 HydrophobicContact CG2-CG 4.24Å; I94-I128 CarbonylContact C-O 3.51Å; I94-I128 WeakPolarHBondContact CA-O 3.42Å; I94-I128 HydrophobicContact CG1-CB 4.46Å
95I98Very high94.5Very high0 Ų051 Ų510%027%0.267CS..EExtended strand (participates in β ladder)trans-108.2111179.7-55.7170.4000107.3C17 V93 N111 C114 V115 I127 I128 C129 E130C17-I95 WeakPolarHBondContact O-CA 3.43Å; V93-I95 HydrophobicContact CG1-CG1 4.19Å; I95-N111 HydrophobicContact CG2-CB 3.83Å; I95-N111 VanDerWaalsContact CG2-CG 3.48Å; I95-N111 WeakPolarHBondContact CG2-OD1 3.2Å; I95-C114 HydrophobicContact CD1-CB 3.85Å; I95-C114 HydrophobicContact CG1-CB 4.44Å; I95-C114 HydrophobicContact CG2-CB 4.25Å; I95-V115 HydrophobicContact CD1-CB 4.36Å; I95-V115 HydrophobicContact CD1-CG2 3.45Å; I95-V115 VanDerWaalsContact CD1-CG2 3.45Å; I95-I127 HydrophobicContact CD1-CG2 3.64Å; I95-I127 HydrophobicContact CG1-CG2 4.2Å; I95-I128 PolarHBondContact N-O 2.93Å; I95-C129 HydrophobicContact CB-CB 4.35Å; I95-C129 HydrophobicContact CD1-CB 4.45Å; I95-E130 PolarHBondContact O-N 2.97Å
96L97.2Very high94.6Very high1 Ų155.8 Ų55.81%0.00529%0.289CS..EExtended strand (participates in β ladder)trans-90.8146.9-173.6-61.1176.5000111.8V16 C17 S19 T24 L25 F28 I94 N111V16-L96 HydrophobicContact CG1-CD1 3.46Å; V16-L96 VanDerWaalsContact CG1-CD1 3.46Å; V16-L96 HydrophobicContact CG1-CG 3.94Å; C17-L96 PolarHBondContact O-N 2.86Å; S19-L96 PolarHBondContact N-O 3.05Å; T24-L96 HydrophobicContact CG2-CB 3.79Å; T24-L96 HydrophobicContact CG2-CD1 3.83Å; T24-L96 HydrophobicContact CG2-CG 4.34Å; L25-L96 HydrophobicContact CD2-CD1 4Å; F28-L96 HydrophobicContact CB-CD1 4.15Å; F28-L96 HydrophobicContact CD2-CD1 4.47Å; F28-L96 HydrophobicContact CD2-CD2 4.09Å; F28-L96 HydrophobicContact CG-CD1 4.11Å; F28-L96 HydrophobicContact CG-CD2 4.49Å; I94-L96 HydrophobicContact CG2-CD2 3.68Å; I94-L96 HydrophobicContact CG2-CG 4.24Å; L96-N111 PolarHBondContact O-ND2 3.48Å; L96-N111 VanDerWaalsContact O-ND2 3.07Å
97S95.5Very high94.6Very high1 Ų153.6 Ų53.61%0.00728%0.281CS..  trans-98.2152.4177.564.20000111.8K99 E130 L160S97-K99 PolarHBondContact O-N 2.84Å; S97-E130 PolarHBondContact N-OE2 3.44Å; S97-E130 WeakPolarHBondContact OG-CB 3.14Å; S97-E130 PolarHBondContact OG-OE2 3.38Å; S97-L160 VanDerWaalsContact OG-CD1 3.3Å; S97-L160 WeakPolarHBondContact OG-CD1 3.45Å
98N92.6Very high94.7Very high39 Ų3953.6 Ų53.621%0.20928%0.281CS..  trans-83.797.9171.7-174.71.3000110.6S19 C100 S101S19-N98 VanDerWaalsContact OG-CB 3.3Å; S19-N98 WeakPolarHBondContact OG-CB 3.45Å; N98-C100 PolarHBondContact O-N 2.95Å; N98-C100 PolarHBondContact OD1-N 3.31Å; N98-S101 WeakPolarHBondContact O-CB 3.19Å; N98-S101 PolarHBondContact O-N 2.83Å
99K89.5Confident94.8Very high78 Ų7851.7 Ų51.734%0.33927%0.274SS..THydrogen-bonded Turntrans-61.8-16.4-177-60.7174176.670.30114.2S97 E130 L160S97-K99 PolarHBondContact O-N 2.84Å; K99-E130 IonicContact NZ-OE1 2.99Å; K99-E130 IonicContact NZ-OE2 2.76Å; K99-E130 PolarHBondContact NZ-OE2 3.06Å; K99-L160 HydrophobicContact CG-CD1 3.9Å
100C88.7Confident95Very high94 Ų9452.9 Ų52.964%0.63527%0.271SS*.THydrogen-bonded Turntrans-113.921.5-180-59.50000112.3N98N98-C100 PolarHBondContact O-N 2.95Å; N98-C100 PolarHBondContact OD1-N 3.31Å
101S91.7Very high95.1Very high23 Ų2352.8 Ų52.816%0.16127%0.269CS..  trans-61.8138.3-179.5-170.40000112.3N98 T103 D107N98-S101 WeakPolarHBondContact O-CB 3.19Å; N98-S101 PolarHBondContact O-N 2.83Å; S101-T103 PolarHBondContact OG-N 2.86Å; S101-T103 PolarHBondContact OG-O 2.88Å; S101-D107 WeakPolarHBondContact CB-OD2 3.44Å; S101-D107 PolarHBondContact OG-OD2 2.71Å
102Q94.4Very high95.4Very high191 Ų19149.9 Ų49.989%0.89325%0.253SS*.SBendtrans-87.7-15.5167.8-64.3-177.3-16.100112.1P104Q102-P104 VanDerWaalsContact C-CD 3.44Å; Q102-P104 WeakPolarHBondContact O-CD 3.32Å
103T96.6Very high95.5Very high66 Ų6652.5 Ų52.541%0.40527%0.266SS..  trans-129.864.3-175.253.80000108.9S101 V105 E106 D107S101-T103 PolarHBondContact OG-N 2.86Å; S101-T103 PolarHBondContact OG-O 2.88Å; T103-V105 VanDerWaalsContact C-N 3.28Å; T103-V105 PolarHBondContact O-N 3.35Å; T103-E106 VanDerWaalsContact C-OE2 3.23Å; T103-E106 WeakPolarHBondContact CA-OE2 3.5Å; T103-E106 WeakPolarHBondContact CB-OE2 3.4Å; T103-E106 PolarHBondContact O-N 2.84Å; T103-D107 PolarHBondContact O-N 2.85Å; T103-D107 VanDerWaalsContact O-N 3.11Å
104P95.9Very high95.5Very high39 Ų3953.1 Ų53.125%0.25327%0.27SS..Hα-helixtrans-68-27.5-168.526.2-35.5000113.6Q102 D108 M132 L133Q102-P104 VanDerWaalsContact C-CD 3.44Å; Q102-P104 WeakPolarHBondContact O-CD 3.32Å; P104-D108 WeakPolarHBondContact O-CB 3.42Å; P104-D108 PolarHBondContact O-N 2.84Å; P104-M132 HydrophobicContact CB-CB 4.23Å; P104-M132 HydrophobicContact CB-CE 3.53Å; P104-M132 HydrophobicContact CB-SD 3.73Å; P104-M132 WeakPolarHBondContact O-CE 3.38Å; P104-L133 HydrophobicContact CB-CD1 4.24Å; P104-L133 HydrophobicContact CB-CD2 4.48Å; P104-L133 HydrophobicContact CB-CG 4.31Å; P104-L133 HydrophobicContact CG-CD1 4.33Å
105V96.5Very high95.5Very high89 Ų8952.3 Ų52.354%0.53927%0.266SS..Hα-helixtrans-66.3-47.5176.81790000110.1T103 D107 D108 W109 L133T103-V105 VanDerWaalsContact C-N 3.28Å; T103-V105 PolarHBondContact O-N 3.35Å; V105-D107 VanDerWaalsContact C-N 3.35Å; V105-D108 PolarHBondContact O-N 3.38Å; V105-W109 PolarHBondContact O-N 2.8Å; V105-L133 HydrophobicContact CB-CD1 4.32Å; V105-L133 HydrophobicContact CG2-CD1 3.47Å; V105-L133 VanDerWaalsContact CG2-CD1 3.47Å
106E97.2Very high95.5Very high103 Ų10355 Ų5548%0.48128%0.282SS..Hα-helixtrans-65.8-39-179.9-64.781.1176.400111.6T103 W109 K110T103-E106 VanDerWaalsContact C-OE2 3.23Å; T103-E106 WeakPolarHBondContact CA-OE2 3.5Å; T103-E106 WeakPolarHBondContact CB-OE2 3.4Å; T103-E106 PolarHBondContact O-N 2.84Å; E106-W109 PolarHBondContact O-N 3.46Å; E106-K110 WeakPolarHBondContact O-CG 3.46Å; E106-K110 PolarHBondContact O-N 3.04Å; E106-K110 VanDerWaalsContact O-N 3.07Å
107D95.8Very high95.5Very high23 Ų2356.3 Ų56.312%0.12329%0.291CS..Hα-helixtrans-70.8-40.2177.7-76-12.3000112.2S101 T103 V105 W109 K110 N111 M132S101-D107 WeakPolarHBondContact CB-OD2 3.44Å; S101-D107 PolarHBondContact OG-OD2 2.71Å; T103-D107 PolarHBondContact O-N 2.85Å; T103-D107 VanDerWaalsContact O-N 3.11Å; V105-D107 VanDerWaalsContact C-N 3.35Å; D107-W109 VanDerWaalsContact C-N 3.3Å; D107-W109 PolarHBondContact O-N 3.33Å; D107-K110 WeakPolarHBondContact O-CB 3.39Å; D107-K110 PolarHBondContact O-N 3.39Å; D107-K110 IonicContact OD1-NZ 2.9Å; D107-K110 PolarHBondContact OD1-NZ 3.09Å; D107-N111 PolarHBondContact O-N 2.75Å; D107-M132 HydrophobicContact CB-CE 3.71Å
108D97.7Very high95.6Very high0 Ų056.3 Ų56.30%029%0.291CS..Hα-helixtrans-62.6-39.1171.6-83.90.1000111.2P104 V105 K110 N111 L112 L131 M132 L133 S136P104-D108 WeakPolarHBondContact O-CB 3.42Å; P104-D108 PolarHBondContact O-N 2.84Å; V105-D108 PolarHBondContact O-N 3.38Å; D108-K110 VanDerWaalsContact C-N 3.34Å; D108-K110 PolarHBondContact O-N 3.11Å; D108-N111 PolarHBondContact O-N 3.35Å; D108-N111 VanDerWaalsContact O-N 3.15Å; D108-L112 WeakPolarHBondContact O-CG 3.47Å; D108-L112 PolarHBondContact O-N 3.35Å; D108-L131 HydrophobicContact CB-CD2 3.98Å; D108-L131 WeakPolarHBondContact OD1-CA 3.21Å; D108-M132 PolarHBondContact OD1-N 2.85Å; D108-M132 PolarHBondContact OD2-N 2.97Å; D108-L133 WeakPolarHBondContact OD2-CB 3.46Å; D108-L133 PolarHBondContact OD2-N 2.95Å; D108-S136 VanDerWaalsContact CB-OG 3.26Å; D108-S136 WeakPolarHBondContact CB-OG 3.44Å; D108-S136 WeakPolarHBondContact OD2-CB 3.37Å; D108-S136 PolarHBondContact OD2-OG 3.47Å
109W97Very high95.7Very high147 Ų14754.7 Ų54.756%0.55728%0.282SS*.Hα-helixtrans-60.1-43.4175-178.5-107.2000111.9V105 E106 D107 N111 L112 M113V105-W109 PolarHBondContact O-N 2.8Å; E106-W109 PolarHBondContact O-N 3.46Å; D107-W109 VanDerWaalsContact C-N 3.3Å; D107-W109 PolarHBondContact O-N 3.33Å; W109-N111 VanDerWaalsContact C-N 3.31Å; W109-N111 PolarHBondContact O-N 3.35Å; W109-L112 HydrophobicContact CE3-CD1 4.1Å; W109-L112 WeakPolarHBondContact O-CB 3.41Å; W109-L112 PolarHBondContact O-N 3.35Å; W109-M113 HydrophobicContact CD2-CE 4.12Å; W109-M113 HydrophobicContact CD2-CG 4.47Å; W109-M113 HydrophobicContact CE3-CE 4.14Å; W109-M113 HydrophobicContact CH2-CE 3.45Å; W109-M113 VanDerWaalsContact CH2-CE 3.45Å; W109-M113 HydrophobicContact CH2-SD 4.36Å; W109-M113 HydrophobicContact CZ2-CE 3.4Å; W109-M113 HydrophobicContact CZ2-CG 4.38Å; W109-M113 HydrophobicContact CZ2-SD 3.73Å; W109-M113 HydrophobicContact CZ3-CE 3.83Å; W109-M113 WeakPolarHBondContact O-CG 3.4Å; W109-M113 PolarHBondContact O-N 3.06Å
110K96.1Very high96Very high118 Ų11857.4 Ų57.451%0.51330%0.3SS..Hα-helixtrans-59.2-43.5173.7-67.4168.4-163.2157.20111.3E106 D107 D108 M113 C114E106-K110 WeakPolarHBondContact O-CG 3.46Å; E106-K110 PolarHBondContact O-N 3.04Å; E106-K110 VanDerWaalsContact O-N 3.07Å; D107-K110 WeakPolarHBondContact O-CB 3.39Å; D107-K110 PolarHBondContact O-N 3.39Å; D107-K110 IonicContact OD1-NZ 2.9Å; D107-K110 PolarHBondContact OD1-NZ 3.09Å; D108-K110 VanDerWaalsContact C-N 3.34Å; D108-K110 PolarHBondContact O-N 3.11Å; K110-M113 PolarHBondContact O-N 2.88Å; K110-C114 PolarHBondContact O-N 2.89Å; K110-C114 PolarHBondContact O-SG 3.13Å
111N97.2Very high96.3Very high7 Ų756.2 Ų56.24%0.03729%0.287CS..Hα-helixtrans-63.9-41.1176.9-78.93.3000112I95 L96 D107 D108 W109 M113 C114 V115 E130 L131I95-N111 HydrophobicContact CG2-CB 3.83Å; I95-N111 VanDerWaalsContact CG2-CG 3.48Å; I95-N111 WeakPolarHBondContact CG2-OD1 3.2Å; L96-N111 PolarHBondContact O-ND2 3.48Å; L96-N111 VanDerWaalsContact O-ND2 3.07Å; D107-N111 PolarHBondContact O-N 2.75Å; D108-N111 PolarHBondContact O-N 3.35Å; D108-N111 VanDerWaalsContact O-N 3.15Å; W109-N111 VanDerWaalsContact C-N 3.31Å; W109-N111 PolarHBondContact O-N 3.35Å; N111-M113 VanDerWaalsContact C-N 3.34Å; N111-M113 PolarHBondContact O-N 2.78Å; N111-C114 VanDerWaalsContact O-CB 3.31Å; N111-C114 WeakPolarHBondContact O-CB 3.07Å; N111-C114 PolarHBondContact O-N 3.05Å; N111-V115 WeakPolarHBondContact O-CG2 3.02Å; N111-V115 PolarHBondContact O-N 2.97Å; N111-V115 VanDerWaalsContact O-N 3.08Å; N111-E130 PolarHBondContact ND2-O 2.89Å; N111-L131 HydrophobicContact CB-CD2 4.09Å
112L97.3Very high96.5Very high5 Ų556.6 Ų56.63%0.02629%0.285CS..Hα-helixtrans-59.7-43.9172.5-68.9176000111.4D108 W109 C114 V115 V116 L131 W139 M140 I143D108-L112 WeakPolarHBondContact O-CG 3.47Å; D108-L112 PolarHBondContact O-N 3.35Å; W109-L112 HydrophobicContact CE3-CD1 4.1Å; W109-L112 WeakPolarHBondContact O-CB 3.41Å; W109-L112 PolarHBondContact O-N 3.35Å; L112-C114 VanDerWaalsContact C-N 3.32Å; L112-C114 PolarHBondContact O-N 3.37Å; L112-V115 WeakPolarHBondContact O-CB 3.02Å; L112-V115 PolarHBondContact O-N 3.15Å; L112-V115 VanDerWaalsContact O-N 3.15Å; L112-V116 WeakPolarHBondContact O-CG2 3.32Å; L112-V116 PolarHBondContact O-N 3.03Å; L112-L131 HydrophobicContact CD2-CD1 4.31Å; L112-L131 HydrophobicContact CD2-CD2 4.35Å; L112-L131 HydrophobicContact CG-CD2 4.4Å; L112-W139 HydrophobicContact CD1-CB 4Å; L112-W139 HydrophobicContact CD1-CG 4.39Å; L112-W139 HydrophobicContact CD2-CB 4.45Å; L112-M140 HydrophobicContact CD2-CG 4.14Å; L112-M140 HydrophobicContact CD2-SD 3.23Å; L112-M140 WeakPolarHBondContact CD2-SD 3.45Å; L112-I143 HydrophobicContact CD2-CD1 4.36Å
113M96.5Very high96.4Very high62 Ų6250 Ų5031%0.30526%0.259SS..Hα-helixtrans-63.4-37.6176.2-66.9-56.296.800111.9W109 K110 N111 V115 V116 S117W109-M113 HydrophobicContact CD2-CE 4.12Å; W109-M113 HydrophobicContact CD2-CG 4.47Å; W109-M113 HydrophobicContact CE3-CE 4.14Å; W109-M113 HydrophobicContact CH2-CE 3.45Å; W109-M113 VanDerWaalsContact CH2-CE 3.45Å; W109-M113 HydrophobicContact CH2-SD 4.36Å; W109-M113 HydrophobicContact CZ2-CE 3.4Å; W109-M113 HydrophobicContact CZ2-CG 4.38Å; W109-M113 HydrophobicContact CZ2-SD 3.73Å; W109-M113 HydrophobicContact CZ3-CE 3.83Å; W109-M113 WeakPolarHBondContact O-CG 3.4Å; W109-M113 PolarHBondContact O-N 3.06Å; K110-M113 PolarHBondContact O-N 2.88Å; N111-M113 VanDerWaalsContact C-N 3.34Å; N111-M113 PolarHBondContact O-N 2.78Å; M113-V115 VanDerWaalsContact C-N 3.32Å; M113-V115 PolarHBondContact O-N 3.21Å; M113-V116 HydrophobicContact CE-CG2 4.25Å; M113-V116 PolarHBondContact O-N 2.8Å; M113-S117 WeakPolarHBondContact O-CB 3.3Å; M113-S117 PolarHBondContact O-N 2.9Å; M113-S117 PolarHBondContact O-OG 2.83Å; M113-S117 VanDerWaalsContact O-OG 3.11Å
114C97.4Very high96.2Very high13 Ų1353.2 Ų53.29%0.08827%0.274CS..Hα-helixtrans-57.2-46.1172-61.40000111.2V76 I95 K110 N111 L112 I118V76-C114 HydrophobicContact CG2-CB 4.05Å; V76-C114 VanDerWaalsContact CG2-SG 3.6Å; I95-C114 HydrophobicContact CD1-CB 3.85Å; I95-C114 HydrophobicContact CG1-CB 4.44Å; I95-C114 HydrophobicContact CG2-CB 4.25Å; K110-C114 PolarHBondContact O-N 2.89Å; K110-C114 PolarHBondContact O-SG 3.13Å; N111-C114 VanDerWaalsContact O-CB 3.31Å; N111-C114 WeakPolarHBondContact O-CB 3.07Å; N111-C114 PolarHBondContact O-N 3.05Å; L112-C114 VanDerWaalsContact C-N 3.32Å; L112-C114 PolarHBondContact O-N 3.37Å; C114-I118 WeakPolarHBondContact O-CB 3.46Å; C114-I118 VanDerWaalsContact O-CG1 3.26Å; C114-I118 WeakPolarHBondContact O-CG1 3.33Å; C114-I118 PolarHBondContact O-N 2.84Å; C114-I118 VanDerWaalsContact O-N 3.12Å
115V97.8Very high96.1Very high0 Ų052 Ų520%027%0.265CS..Hα-helixtrans-60.4-48.1177.3-179.60000110.4I95 N111 L112 M113 I118 K119 I127 C129 M140 I143 W146I95-V115 HydrophobicContact CD1-CB 4.36Å; I95-V115 HydrophobicContact CD1-CG2 3.45Å; I95-V115 VanDerWaalsContact CD1-CG2 3.45Å; N111-V115 WeakPolarHBondContact O-CG2 3.02Å; N111-V115 PolarHBondContact O-N 2.97Å; N111-V115 VanDerWaalsContact O-N 3.08Å; L112-V115 WeakPolarHBondContact O-CB 3.02Å; L112-V115 PolarHBondContact O-N 3.15Å; L112-V115 VanDerWaalsContact O-N 3.15Å; M113-V115 VanDerWaalsContact C-N 3.32Å; M113-V115 PolarHBondContact O-N 3.21Å; V115-I118 PolarHBondContact O-N 2.73Å; V115-K119 HydrophobicContact CG1-CG 4.12Å; V115-K119 WeakPolarHBondContact O-CB 3.44Å; V115-K119 WeakPolarHBondContact O-CG 3.35Å; V115-K119 PolarHBondContact O-N 2.83Å; V115-I127 HydrophobicContact CG1-CD1 4.21Å; V115-I127 HydrophobicContact CG2-CG2 4.31Å; V115-C129 HydrophobicContact CG2-CB 4.02Å; V115-M140 HydrophobicContact CG1-CE 4.28Å; V115-M140 HydrophobicContact CG2-CE 4.03Å; V115-M140 HydrophobicContact CG2-SD 4.47Å; V115-I143 HydrophobicContact CB-CD1 4.03Å; V115-I143 HydrophobicContact CG1-CD1 3.73Å; V115-I143 HydrophobicContact CG1-CG2 4.22Å; V115-W146 HydrophobicContact CG1-CE3 3.62Å; V115-W146 HydrophobicContact CG1-CZ3 3.79Å
116V97.1Very high96Very high56 Ų5651.5 Ų51.534%0.33925%0.254SS..Hα-helixtrans-60-50-179.81730000111.2L112 M113 I118 K119 N120 I143L112-V116 WeakPolarHBondContact O-CG2 3.32Å; L112-V116 PolarHBondContact O-N 3.03Å; M113-V116 HydrophobicContact CE-CG2 4.25Å; M113-V116 PolarHBondContact O-N 2.8Å; V116-I118 VanDerWaalsContact C-N 3.3Å; V116-I118 PolarHBondContact O-N 2.95Å; V116-K119 PolarHBondContact O-N 3.12Å; V116-N120 VanDerWaalsContact O-CB 3.29Å; V116-N120 WeakPolarHBondContact O-CB 3.22Å; V116-N120 PolarHBondContact O-N 3.2Å; V116-I143 HydrophobicContact CG2-CD1 3.98Å; V116-I143 HydrophobicContact CG2-CG1 3.97Å; V116-I143 HydrophobicContact CG2-CG2 4.03Å
117S96.8Very high96Very high29 Ų2946.6 Ų46.620%0.20323%0.231CC..Hα-helixtrans-58.6-42.5-179.6-63.40000112.1V76 M113V76-S117 VanDerWaalsContact O-CB 3.32Å; V76-S117 WeakPolarHBondContact O-CB 3.25Å; M113-S117 WeakPolarHBondContact O-CB 3.3Å; M113-S117 PolarHBondContact O-N 2.9Å; M113-S117 PolarHBondContact O-OG 2.83Å; M113-S117 VanDerWaalsContact O-OG 3.11Å
118I97.9Very high96Very high1 Ų147 Ų471%0.00523%0.233CC..Hα-helixtrans-72.4-46.3-179.4-66.2173.9000111.3L82 V87 V93 C114 V115 V116 N120 L121 Y122 I125 I127L82-I118 HydrophobicContact CD1-CG1 4.33Å; L82-I118 HydrophobicContact CD2-CD1 4.43Å; L82-I118 HydrophobicContact CD2-CG1 3.92Å; V87-I118 HydrophobicContact CG1-CG2 3.99Å; V93-I118 HydrophobicContact CB-CD1 4.46Å; V93-I118 HydrophobicContact CG1-CD1 3.77Å; V93-I118 HydrophobicContact CG2-CD1 4.37Å; V93-I118 HydrophobicContact CG2-CG2 4.37Å; C114-I118 WeakPolarHBondContact O-CB 3.46Å; C114-I118 VanDerWaalsContact O-CG1 3.26Å; C114-I118 WeakPolarHBondContact O-CG1 3.33Å; C114-I118 PolarHBondContact O-N 2.84Å; C114-I118 VanDerWaalsContact O-N 3.12Å; V115-I118 PolarHBondContact O-N 2.73Å; V116-I118 VanDerWaalsContact C-N 3.3Å; V116-I118 PolarHBondContact O-N 2.95Å; I118-N120 VanDerWaalsContact C-N 3.27Å; I118-N120 PolarHBondContact O-N 2.8Å; I118-L121 PolarHBondContact O-N 2.78Å; I118-Y122 PolarHBondContact O-N 2.77Å; I118-I125 HydrophobicContact CG2-CG2 3.57Å; I118-I127 HydrophobicContact CB-CD1 4.05Å; I118-I127 HydrophobicContact CG2-CD1 3.72Å; I118-I127 HydrophobicContact CG2-CG1 4.48Å
119K95.6Very high95.9Very high5 Ų547 Ų472%0.02223%0.233CC..Hα-helixtrans-65.9-30.1-179.5-74.6-62.4-167.5175.50112.9V115 V116 L121 P123 I125 I127 I143 P144 G145 D155V115-K119 HydrophobicContact CG1-CG 4.12Å; V115-K119 WeakPolarHBondContact O-CB 3.44Å; V115-K119 WeakPolarHBondContact O-CG 3.35Å; V115-K119 PolarHBondContact O-N 2.83Å; V116-K119 PolarHBondContact O-N 3.12Å; K119-L121 VanDerWaalsContact C-N 3.32Å; K119-L121 PolarHBondContact O-N 2.87Å; K119-P123 PolarHBondContact NZ-O 3.28Å; K119-P123 VanDerWaalsContact O-CA 3.24Å; K119-P123 WeakPolarHBondContact O-CA 3.36Å; K119-P123 WeakPolarHBondContact O-CB 3.19Å; K119-P123 WeakPolarHBondContact O-CD 3.36Å; K119-I125 PolarHBondContact NZ-O 2.71Å; K119-I127 HydrophobicContact CD-CD1 3.97Å; K119-I127 HydrophobicContact CG-CD1 3.84Å; K119-I143 HydrophobicContact CB-CG2 4.4Å; K119-I143 HydrophobicContact CG-CG2 4.48Å; K119-P144 WeakPolarHBondContact CB-O 3.17Å; K119-G145 WeakPolarHBondContact CE-O 3.32Å; K119-G145 PolarHBondContact NZ-O 3.23Å; K119-D155 WeakPolarHBondContact CE-OD2 3.49Å; K119-D155 IonicContact NZ-OD1 2.9Å; K119-D155 PolarHBondContact NZ-OD1 3.31Å; K119-D155 IonicContact NZ-OD2 2.7Å; K119-D155 PolarHBondContact NZ-OD2 2.87Å
120N95Very high95.9Very high134 Ų13441.5 Ų41.572%0.71721%0.213SC*.Hα-helixtrans-61.8-38.4176-173.151.1000112.5V116 I118V116-N120 VanDerWaalsContact O-CB 3.29Å; V116-N120 WeakPolarHBondContact O-CB 3.22Å; V116-N120 PolarHBondContact O-N 3.2Å; I118-N120 VanDerWaalsContact C-N 3.27Å; I118-N120 PolarHBondContact O-N 2.8Å
121L95.4Very high96Very high69 Ų6935.9 Ų35.936%0.36119%0.189SC..Hα-helixtrans-90.9-39.8178.7-65.8177.5000113P79 L82 I118 K119 P123P79-L121 HydrophobicContact CB-CD1 3.66Å; P79-L121 HydrophobicContact CG-CD1 3.98Å; L82-L121 HydrophobicContact CD1-CD1 3.68Å; I118-L121 PolarHBondContact O-N 2.78Å; K119-L121 VanDerWaalsContact C-N 3.32Å; K119-L121 PolarHBondContact O-N 2.87Å; L121-P123 WeakPolarHBondContact O-CD 3.38Å
122Y95.6Very high96Very high31 Ų3136.4 Ų36.412%0.12219%0.191CC..  trans-128.469.7-173.3-49.1-64000110.3L82 E83 V87 R88 I118 N124 I125L82-Y122 HydrophobicContact CB-CE2 4.06Å; E83-Y122 PolarHBondContact OE2-OH 3.28Å; V87-Y122 HydrophobicContact CB-CD2 4.06Å; V87-Y122 HydrophobicContact CB-CE2 3.95Å; V87-Y122 HydrophobicContact CG1-CD2 3.66Å; V87-Y122 HydrophobicContact CG1-CE2 4.08Å; V87-Y122 HydrophobicContact CG1-CG 4.5Å; R88-Y122 HydrophobicContact CB-CD1 3.82Å; R88-Y122 HydrophobicContact CB-CE1 3.61Å; R88-Y122 HydrophobicContact CG-CD1 4.02Å; R88-Y122 HydrophobicContact CG-CE1 4.05Å; I118-Y122 PolarHBondContact O-N 2.77Å; Y122-N124 PolarHBondContact O-N 2.73Å; Y122-I125 WeakPolarHBondContact O-CG2 3.41Å; Y122-I125 PolarHBondContact O-N 3.02Å; Y122-I125 VanDerWaalsContact O-N 3.07Å
123P92.6Very high95.9Very high54 Ų5437.9 Ų37.935%0.35120%0.199SC..THydrogen-bonded Turntrans-61.4-19.3-172.122.8-34.7000114.5K119 L121K119-P123 PolarHBondContact NZ-O 3.28Å; K119-P123 VanDerWaalsContact O-CA 3.24Å; K119-P123 WeakPolarHBondContact O-CA 3.36Å; K119-P123 WeakPolarHBondContact O-CB 3.19Å; K119-P123 WeakPolarHBondContact O-CD 3.36Å; L121-P123 WeakPolarHBondContact O-CD 3.38Å
124N91.2Very high95.8Very high133 Ų13338.1 Ų38.171%0.71120%0.2SC*.THydrogen-bonded Turntrans-95.2-6.3-178.6-63.8-38.5000114.2Y122 K147Y122-N124 PolarHBondContact O-N 2.73Å; N124-K147 PolarHBondContact OD1-NZ 3.31Å
125I94.1Very high95.7Very high14 Ų1443.3 Ų43.37%0.07222%0.224CC..SBendtrans-68.4139.6176.2-167.757.7000109.8V87 A90 V93 I118 K119 Y122 I127V87-I125 HydrophobicContact CG1-CG1 4.37Å; V87-I125 WeakPolarHBondContact O-CD1 3.42Å; A90-I125 HydrophobicContact CB-CD1 4.37Å; A90-I125 WeakPolarHBondContact O-CD1 3.25Å; V93-I125 HydrophobicContact CG2-CG1 3.99Å; I118-I125 HydrophobicContact CG2-CG2 3.57Å; K119-I125 PolarHBondContact NZ-O 2.71Å; Y122-I125 WeakPolarHBondContact O-CG2 3.41Å; Y122-I125 PolarHBondContact O-N 3.02Å; Y122-I125 VanDerWaalsContact O-N 3.07Å; I125-I127 HydrophobicContact CG2-CD1 4.3Å; I125-I127 HydrophobicContact CG2-CG1 4.07Å
126R94.7Very high95.6Very high77 Ų7743.9 Ų43.929%0.29123%0.227SC..  trans-75.6130.3174.6-179.6-179.3175.5-154-0.4110.1A92 V93 D152 F154 D155A92-R126 CarbonylContact C-O 3.04Å; A92-R126 VanDerWaalsContact CA-O 3.3Å; A92-R126 WeakPolarHBondContact CA-O 3.12Å; A92-R126 HydrophobicContact CB-CB 4.3Å; A92-R126 HydrophobicContact CB-CG 4.38Å; V93-R126 PolarHBondContact N-O 2.69Å; R126-D152 PolarHBondContact NE-O 2.93Å; R126-D152 PolarHBondContact NH1-O 3.33Å; R126-D152 PolarHBondContact NH2-O 3.47Å; R126-F154 PolarHBondContact NE-O 2.96Å; R126-D155 WeakPolarHBondContact CA-OD1 3.49Å
127I96.6Very high95.5Very high0 Ų043.3 Ų43.30%022%0.22CC..EExtended strand (participates in β ladder)trans-120.6130.9176.8-56.3-176.2000110.6V93 I95 V115 I118 K119 I125 C129 W146 D155 R156V93-I127 HydrophobicContact CB-CG1 4.33Å; V93-I127 CarbonylContact O-C 3.56Å; V93-I127 WeakPolarHBondContact O-CA 3.43Å; I95-I127 HydrophobicContact CD1-CG2 3.64Å; I95-I127 HydrophobicContact CG1-CG2 4.2Å; V115-I127 HydrophobicContact CG1-CD1 4.21Å; V115-I127 HydrophobicContact CG2-CG2 4.31Å; I118-I127 HydrophobicContact CB-CD1 4.05Å; I118-I127 HydrophobicContact CG2-CD1 3.72Å; I118-I127 HydrophobicContact CG2-CG1 4.48Å; K119-I127 HydrophobicContact CD-CD1 3.97Å; K119-I127 HydrophobicContact CG-CD1 3.84Å; I125-I127 HydrophobicContact CG2-CD1 4.3Å; I125-I127 HydrophobicContact CG2-CG1 4.07Å; I127-C129 HydrophobicContact CG2-CB 4.33Å; I127-W146 HydrophobicContact CB-CZ3 3.98Å; I127-W146 HydrophobicContact CG2-CZ3 4.1Å; I127-D155 PolarHBondContact N-OD1 3.43Å; I127-D155 CarbonylContact O-C 3.51Å; I127-D155 VanDerWaalsContact O-CA 3.23Å; I127-D155 WeakPolarHBondContact O-CA 3.3Å; I127-R156 PolarHBondContact O-N 2.88Å
128I96Very high95.2Very high32 Ų3246.4 Ų46.416%0.16424%0.238CC..EExtended strand (participates in β ladder)trans-110.4109.7168-55.8173.6000106.8V93 I94 I95 R156 I158V93-I128 PolarHBondContact O-N 3.37Å; I94-I128 CarbonylContact C-O 3.51Å; I94-I128 WeakPolarHBondContact CA-O 3.42Å; I94-I128 HydrophobicContact CG1-CB 4.46Å; I95-I128 PolarHBondContact N-O 2.93Å; I128-R156 WeakPolarHBondContact CA-O 3.45Å; I128-R156 HydrophobicContact CG1-CB 4.47Å; I128-R156 HydrophobicContact CG2-CB 4.39Å; I128-I158 HydrophobicContact CG2-CD1 3.8Å; I128-I158 HydrophobicContact CG2-CG1 4.48Å
129C97.1Very high95Very high0 Ų053.5 Ų53.50%027%0.265CS..EExtended strand (participates in β ladder)trans-111.5123.1-175.9-173.80000110.4I95 V115 I127 M140 W146 R156 I158I95-C129 HydrophobicContact CB-CB 4.35Å; I95-C129 HydrophobicContact CD1-CB 4.45Å; V115-C129 HydrophobicContact CG2-CB 4.02Å; I127-C129 HydrophobicContact CG2-CB 4.33Å; C129-M140 HydrophobicContact CB-CE 3.95Å; C129-W146 HydrophobicContact CB-CH2 4.45Å; C129-R156 PolarHBondContact N-O 3.43Å; C129-I158 PolarHBondContact O-N 3.18Å
130E97Very high94.9Very high32 Ų3253.3 Ų53.315%0.1526%0.264CS..EExtended strand (participates in β ladder)trans-85.3131.3167.4-64.4-172.3163.900110.4I95 S97 K99 N111 I158I95-E130 PolarHBondContact O-N 2.97Å; S97-E130 PolarHBondContact N-OE2 3.44Å; S97-E130 WeakPolarHBondContact OG-CB 3.14Å; S97-E130 PolarHBondContact OG-OE2 3.38Å; K99-E130 IonicContact NZ-OE1 2.99Å; K99-E130 IonicContact NZ-OE2 2.76Å; K99-E130 PolarHBondContact NZ-OE2 3.06Å; N111-E130 PolarHBondContact ND2-O 2.89Å; E130-I158 WeakPolarHBondContact CA-O 3.38Å
131L97.5Very high94.6Very high0 Ų051.3 Ų51.30%026%0.26CS..EExtended strand (participates in β ladder)trans-126.5148.2172.6-63.8170.9000109.1D108 N111 L112 K137 M140 I158 C159 L160D108-L131 HydrophobicContact CB-CD2 3.98Å; D108-L131 WeakPolarHBondContact OD1-CA 3.21Å; N111-L131 HydrophobicContact CB-CD2 4.09Å; L112-L131 HydrophobicContact CD2-CD1 4.31Å; L112-L131 HydrophobicContact CD2-CD2 4.35Å; L112-L131 HydrophobicContact CG-CD2 4.4Å; L131-K137 HydrophobicContact CD1-CB 3.96Å; L131-M140 HydrophobicContact CD1-CG 3.94Å; L131-M140 HydrophobicContact CD1-SD 4.02Å; L131-I158 PolarHBondContact N-O 2.99Å; L131-C159 CarbonylContact O-C 3.57Å; L131-C159 VanDerWaalsContact O-CA 3.31Å; L131-C159 WeakPolarHBondContact O-CA 3.3Å; L131-L160 PolarHBondContact O-N 3.05Å
132M96.8Very high94.5Very high17 Ų1753.2 Ų53.28%0.08427%0.271CS..SBendtrans-83.7-41.1176.6-73-178.2-79.300111.8P104 D107 D108 T161P104-M132 HydrophobicContact CB-CB 4.23Å; P104-M132 HydrophobicContact CB-CE 3.53Å; P104-M132 HydrophobicContact CB-SD 3.73Å; P104-M132 WeakPolarHBondContact O-CE 3.38Å; D107-M132 HydrophobicContact CB-CE 3.71Å; D108-M132 PolarHBondContact OD1-N 2.85Å; D108-M132 PolarHBondContact OD2-N 2.97Å; M132-T161 WeakPolarHBondContact O-CB 3.49Å; M132-T161 PolarHBondContact O-N 3.25Å; M132-T161 PolarHBondContact O-OG1 3.46Å
133L96.2Very high94.4Very high37 Ų3752.6 Ų52.619%0.19427%0.27CS..  trans-107.5150-168.8-56.4178.1000112P104 V105 D108 C159P104-L133 HydrophobicContact CB-CD1 4.24Å; P104-L133 HydrophobicContact CB-CD2 4.48Å; P104-L133 HydrophobicContact CB-CG 4.31Å; P104-L133 HydrophobicContact CG-CD1 4.33Å; V105-L133 HydrophobicContact CB-CD1 4.32Å; V105-L133 HydrophobicContact CG2-CD1 3.47Å; V105-L133 VanDerWaalsContact CG2-CD1 3.47Å; D108-L133 WeakPolarHBondContact OD2-CB 3.46Å; D108-L133 PolarHBondContact OD2-N 2.95Å; L133-C159 PolarHBondContact O-SG 2.71Å
134I94.6Very high94.4Very high66 Ų6655.1 Ų55.134%0.33829%0.286SS..Hα-helixtrans-77.9-32.7-179.4-174.959000110.8S136 K137 V138 Q162I134-S136 VanDerWaalsContact C-N 3.32Å; I134-S136 PolarHBondContact O-N 3.5Å; I134-K137 HydrophobicContact CD1-CB 4.41Å; I134-K137 HydrophobicContact CD1-CD 4.24Å; I134-K137 WeakPolarHBondContact O-CB 3.32Å; I134-K137 PolarHBondContact O-N 3.45Å; I134-K137 VanDerWaalsContact O-N 3.14Å; I134-V138 PolarHBondContact O-N 3Å; I134-Q162 HydrophobicContact CD1-CB 4.37Å
135E94.9Very high94.2Very high123 Ų12350 Ų5058%0.57526%0.264SS*.Hα-helixtrans-61.3-41.6177-59.880.7-179.900110.7K137 V138E135-K137 VanDerWaalsContact C-N 3.35Å; E135-K137 PolarHBondContact O-N 2.82Å; E135-V138 PolarHBondContact O-N 3.25Å
136S95.1Very high94.2Very high11 Ų1150.7 Ų50.78%0.07727%0.266CS..Hα-helixtrans-63.2-40.1174.2-52.90000112D108 I134 V138 W139D108-S136 VanDerWaalsContact CB-OG 3.26Å; D108-S136 WeakPolarHBondContact CB-OG 3.44Å; D108-S136 WeakPolarHBondContact OD2-CB 3.37Å; D108-S136 PolarHBondContact OD2-OG 3.47Å; I134-S136 VanDerWaalsContact C-N 3.32Å; I134-S136 PolarHBondContact O-N 3.5Å; S136-V138 PolarHBondContact O-N 2.98Å; S136-W139 WeakPolarHBondContact O-CB 3.47Å; S136-W139 PolarHBondContact O-N 3.05Å; S136-W139 VanDerWaalsContact O-N 3.15Å
137K94.5Very high93.8Very high45 Ų4551 Ų5120%0.19627%0.27CS..Hα-helixtrans-63.1-29.7-177.8176.6170.8171.51680112.8L131 I134 E135 W139 M140 A157 C159L131-K137 HydrophobicContact CD1-CB 3.96Å; I134-K137 HydrophobicContact CD1-CB 4.41Å; I134-K137 HydrophobicContact CD1-CD 4.24Å; I134-K137 WeakPolarHBondContact O-CB 3.32Å; I134-K137 PolarHBondContact O-N 3.45Å; I134-K137 VanDerWaalsContact O-N 3.14Å; E135-K137 VanDerWaalsContact C-N 3.35Å; E135-K137 PolarHBondContact O-N 2.82Å; K137-W139 PolarHBondContact O-N 3.46Å; K137-M140 WeakPolarHBondContact O-CB 3.31Å; K137-M140 VanDerWaalsContact O-CG 3.31Å; K137-M140 WeakPolarHBondContact O-CG 3.4Å; K137-M140 PolarHBondContact O-N 3.42Å; K137-M140 VanDerWaalsContact O-N 3.08Å; K137-A157 HydrophobicContact CD-CB 4.25Å; K137-A157 WeakPolarHBondContact CE-O 3.43Å; K137-A157 HydrophobicContact CG-CB 4.15Å; K137-A157 PolarHBondContact NZ-O 2.82Å; K137-C159 HydrophobicContact CB-CB 4.5Å; K137-C159 HydrophobicContact CD-CB 3.77Å
138V91.7Very high93.3Very high94 Ų9454.8 Ų54.857%0.5729%0.287SS*.G310 helixtrans-58.5-28.7177.5-1800000111.9I134 E135 S136 M140 S141I134-V138 PolarHBondContact O-N 3Å; E135-V138 PolarHBondContact O-N 3.25Å; S136-V138 PolarHBondContact O-N 2.98Å; V138-M140 VanDerWaalsContact C-N 3.3Å; V138-M140 PolarHBondContact O-N 3.39Å; V138-S141 PolarHBondContact O-OG 2.99Å
139W93.2Very high92.1Very high150 Ų15060.1 Ų60.157%0.56831%0.307SS*.G310 helixtrans-73-19.8179.6-63.899.2000114.1L112 S136 K137 S141 N142L112-W139 HydrophobicContact CD1-CB 4Å; L112-W139 HydrophobicContact CD1-CG 4.39Å; L112-W139 HydrophobicContact CD2-CB 4.45Å; S136-W139 WeakPolarHBondContact O-CB 3.47Å; S136-W139 PolarHBondContact O-N 3.05Å; S136-W139 VanDerWaalsContact O-N 3.15Å; K137-W139 PolarHBondContact O-N 3.46Å; W139-S141 VanDerWaalsContact C-N 3.29Å; W139-S141 PolarHBondContact O-N 2.89Å; W139-N142 WeakPolarHBondContact O-CB 3.45Å; W139-N142 PolarHBondContact O-N 3.29Å
140M92.8Very high90.5Very high1 Ų166.7 Ų66.71%0.00534%0.337CS..G310 helixtrans-59-39.7-176.6-64.1-65-71.300112.1L112 V115 C129 L131 K137 V138 N142 I143 W146 A157L112-M140 HydrophobicContact CD2-CG 4.14Å; L112-M140 HydrophobicContact CD2-SD 3.23Å; L112-M140 WeakPolarHBondContact CD2-SD 3.45Å; V115-M140 HydrophobicContact CG1-CE 4.28Å; V115-M140 HydrophobicContact CG2-CE 4.03Å; V115-M140 HydrophobicContact CG2-SD 4.47Å; C129-M140 HydrophobicContact CB-CE 3.95Å; L131-M140 HydrophobicContact CD1-CG 3.94Å; L131-M140 HydrophobicContact CD1-SD 4.02Å; K137-M140 WeakPolarHBondContact O-CB 3.31Å; K137-M140 VanDerWaalsContact O-CG 3.31Å; K137-M140 WeakPolarHBondContact O-CG 3.4Å; K137-M140 PolarHBondContact O-N 3.42Å; K137-M140 VanDerWaalsContact O-N 3.08Å; V138-M140 VanDerWaalsContact C-N 3.3Å; V138-M140 PolarHBondContact O-N 3.39Å; M140-N142 PolarHBondContact O-N 3.43Å; M140-I143 PolarHBondContact O-N 2.96Å; M140-I143 HydrophobicContact SD-CD1 4.09Å; M140-W146 HydrophobicContact CE-CD2 3.85Å; M140-W146 HydrophobicContact CE-CE3 3.6Å; M140-W146 HydrophobicContact CE-CH2 2.99Å; M140-W146 HydrophobicContact CE-CZ2 3.26Å; M140-W146 HydrophobicContact CE-CZ3 3.16Å; M140-W146 WeakPolarHBondContact O-CB 3.3Å; M140-W146 VanDerWaalsContact O-CD1 3.25Å; M140-A157 HydrophobicContact CB-CB 4.44Å; M140-A157 HydrophobicContact CE-CB 4.03Å; M140-A157 HydrophobicContact CG-CB 3.9Å
141S89.2Confident88.9Confident92 Ų9267 Ų6764%0.64334%0.343SS*.G310 helixtrans-66-18.7179.358.40000113.8V138 W139V138-S141 PolarHBondContact O-OG 2.99Å; W139-S141 VanDerWaalsContact C-N 3.29Å; W139-S141 PolarHBondContact O-N 2.89Å
142N92.7Very high87.3Confident109 Ų10972.4 Ų72.458%0.58337%0.372SS*.G310 helixtrans-89.4-8-179.5-62.2-19.6000112.4W139 M140 P144W139-N142 WeakPolarHBondContact O-CB 3.45Å; W139-N142 PolarHBondContact O-N 3.29Å; M140-N142 PolarHBondContact O-N 3.43Å; N142-P144 WeakPolarHBondContact O-CD 3.23Å
143I94Very high86.1Confident18 Ų1879.5 Ų79.59%0.09241%0.405CS..SBendtrans-78.5122.6-177.8-61.5174.2000109.8L112 V115 V116 K119 M140 G145 W146L112-I143 HydrophobicContact CD2-CD1 4.36Å; V115-I143 HydrophobicContact CB-CD1 4.03Å; V115-I143 HydrophobicContact CG1-CD1 3.73Å; V115-I143 HydrophobicContact CG1-CG2 4.22Å; V116-I143 HydrophobicContact CG2-CD1 3.98Å; V116-I143 HydrophobicContact CG2-CG1 3.97Å; V116-I143 HydrophobicContact CG2-CG2 4.03Å; K119-I143 HydrophobicContact CB-CG2 4.4Å; K119-I143 HydrophobicContact CG-CG2 4.48Å; M140-I143 PolarHBondContact O-N 2.96Å; M140-I143 HydrophobicContact SD-CD1 4.09Å; I143-G145 PolarHBondContact O-N 2.89Å; I143-W146 HydrophobicContact CB-CB 4.04Å; I143-W146 HydrophobicContact CG2-CB 4.43Å; I143-W146 WeakPolarHBondContact O-CB 3.16Å; I143-W146 PolarHBondContact O-N 3.01Å; I143-W146 VanDerWaalsContact O-N 3.07Å
144P92.1Very high85.4Confident107 Ų10780.8 Ų80.870%0.69541%0.409SS*.THydrogen-bonded Turntrans-57.6133.5175-24.834.9000111.9K119 N142 W146K119-P144 WeakPolarHBondContact CB-O 3.17Å; N142-P144 WeakPolarHBondContact O-CD 3.23Å; P144-W146 PolarHBondContact O-N 2.64Å
145G88.4Confident85.4Confident25 Ų2577.8 Ų77.826%0.25839%0.394SS..THydrogen-bonded Turntrans80.6-6.8-177.800000114.8K119 I143 K147K119-G145 WeakPolarHBondContact CE-O 3.32Å; K119-G145 PolarHBondContact NZ-O 3.23Å; I143-G145 PolarHBondContact O-N 2.89Å; G145-K147 PolarHBondContact O-N 3.44Å
146W92.7Very high85.3Confident28 Ų2874.8 Ų74.811%0.10638%0.377CS..  trans-68.1121.6168.9-173.7-100.9000110.1V115 I127 C129 M140 I143 P144 E148 D155 A157V115-W146 HydrophobicContact CG1-CE3 3.62Å; V115-W146 HydrophobicContact CG1-CZ3 3.79Å; I127-W146 HydrophobicContact CB-CZ3 3.98Å; I127-W146 HydrophobicContact CG2-CZ3 4.1Å; C129-W146 HydrophobicContact CB-CH2 4.45Å; M140-W146 HydrophobicContact CE-CD2 3.85Å; M140-W146 HydrophobicContact CE-CE3 3.6Å; M140-W146 HydrophobicContact CE-CH2 2.99Å; M140-W146 HydrophobicContact CE-CZ2 3.26Å; M140-W146 HydrophobicContact CE-CZ3 3.16Å; M140-W146 WeakPolarHBondContact O-CB 3.3Å; M140-W146 VanDerWaalsContact O-CD1 3.25Å; I143-W146 HydrophobicContact CB-CB 4.04Å; I143-W146 HydrophobicContact CG2-CB 4.43Å; I143-W146 WeakPolarHBondContact O-CB 3.16Å; I143-W146 PolarHBondContact O-N 3.01Å; I143-W146 VanDerWaalsContact O-N 3.07Å; P144-W146 PolarHBondContact O-N 2.64Å; W146-E148 HydrophobicContact CZ2-CB 4.44Å; W146-E148 PolarHBondContact NE1-OE2 3.44Å; W146-D155 HydrophobicContact CD2-CB 3.87Å; W146-D155 HydrophobicContact CE3-CB 3.76Å; W146-D155 HydrophobicContact CH2-CB 3.51Å; W146-D155 HydrophobicContact CZ2-CB 3.63Å; W146-D155 HydrophobicContact CZ3-CB 3.6Å; W146-A157 HydrophobicContact CH2-CB 4.45Å; W146-A157 HydrophobicContact CZ2-CB 3.89Å
147K87.3Confident85.3Confident84 Ų8474.5 Ų74.537%0.36538%0.375SS..  trans-129.888.9-178.3-67.8173.1-172.6168.80107.8N124 G145 Y149 F154 D155N124-K147 PolarHBondContact OD1-NZ 3.31Å; G145-K147 PolarHBondContact O-N 3.44Å; K147-Y149 HydrophobicContact CB-CD2 4.13Å; K147-Y149 HydrophobicContact CB-CE2 3.95Å; K147-Y149 HydrophobicContact CG-CE2 4.32Å; K147-F154 HydrophobicContact CB-CD1 4.01Å; K147-F154 VanDerWaalsContact O-CB 3.27Å; K147-F154 WeakPolarHBondContact O-CB 3.08Å; K147-D155 PolarHBondContact N-OD2 3.02Å; K147-D155 WeakPolarHBondContact O-CB 3.38Å; K147-D155 PolarHBondContact O-N 2.86Å
148E84.6Confident85.3Confident80 Ų8075.4 Ų75.437%0.37438%0.382SS..  trans-97107.2170.8-178.3165.5-153.200108.9W146 A157W146-E148 HydrophobicContact CZ2-CB 4.44Å; W146-E148 PolarHBondContact NE1-OE2 3.44Å; E148-A157 PolarHBondContact OE1-N 3.04Å
149Y72.1Confident85.5Confident144 Ų14471 Ų7157%0.56536%0.355SS*.  trans-122.6-179.7176.2-71-83.4000110.4K147 S151 F154 R156K147-Y149 HydrophobicContact CB-CD2 4.13Å; K147-Y149 HydrophobicContact CB-CE2 3.95Å; K147-Y149 HydrophobicContact CG-CE2 4.32Å; Y149-S151 VanDerWaalsContact C-N 3.33Å; Y149-S151 PolarHBondContact O-N 3.47Å; Y149-F154 AromaticContact CD2-CD1 3.44Å; Y149-F154 HydrophobicContact CD2-CD1 3.44Å; Y149-F154 VanDerWaalsContact CD2-CD1 3.44Å; Y149-F154 HydrophobicContact CD2-CD2 4.25Å; Y149-F154 AromaticContact CD2-CE1 3.4Å; Y149-F154 HydrophobicContact CD2-CE1 3.4Å; Y149-F154 VanDerWaalsContact CD2-CE1 3.4Å; Y149-F154 HydrophobicContact CD2-CE2 4.22Å; Y149-F154 AromaticContact CD2-CG 3.87Å; Y149-F154 HydrophobicContact CD2-CG 3.87Å; Y149-F154 AromaticContact CD2-CZ 3.81Å; Y149-F154 HydrophobicContact CD2-CZ 3.81Å; Y149-F154 HydrophobicContact CE2-CD1 4.25Å; Y149-F154 AromaticContact CE2-CE1 3.94Å; Y149-F154 HydrophobicContact CE2-CE1 3.94Å; Y149-F154 HydrophobicContact CE2-CZ 4.47Å; Y149-F154 HydrophobicContact CG-CD1 4.3Å; Y149-F154 HydrophobicContact CG-CD2 4.33Å; Y149-F154 HydrophobicContact CG-CE1 4.25Å; Y149-F154 HydrophobicContact CG-CE2 4.3Å; Y149-F154 HydrophobicContact CG-CG 4.32Å; Y149-F154 HydrophobicContact CG-CZ 4.25Å; Y149-R156 PolarHBondContact O-NH1 3.03Å
150E63.6Low85.5Confident137 Ų13765.2 Ų65.264%0.6434%0.335SS*.SBendtrans-65.2-27.5-176.4-70.3168.5-160.900114.2R156 K255E150-R156 PolarHBondContact O-NH2 3.31Å; E150-K255 IonicContact OE1-NZ 3.25Å; E150-K255 PolarHBondContact OE1-NZ 3.18Å; E150-K255 WeakPolarHBondContact OE2-CD 3.47Å; E150-K255 VanDerWaalsContact OE2-CE 3.26Å; E150-K255 WeakPolarHBondContact OE2-CE 3.31Å; E150-K255 IonicContact OE2-NZ 3.82Å; E150-K255 PolarHBondContact OE2-NZ 3.36Å
151S63.2Low85.6Confident40 Ų4067.8 Ų67.828%0.2835%0.351SS..SBendtrans-89.3156.3-175.887.90000114Y149 Q153 F154 R156Y149-S151 VanDerWaalsContact C-N 3.33Å; Y149-S151 PolarHBondContact O-N 3.47Å; S151-Q153 PolarHBondContact O-N 3.28Å; S151-Q153 VanDerWaalsContact O-N 3.16Å; S151-F154 PolarHBondContact O-N 3Å; S151-F154 WeakPolarHBondContact OG-CD2 3.13Å; S151-F154 WeakPolarHBondContact OG-CE2 3.49Å; S151-R156 PolarHBondContact O-NH2 3.18Å
152D64Low85.9Confident113 Ų11367.9 Ų67.960%0.60434%0.341SS*.THydrogen-bonded Turntrans-74.10-178.2-60.8-32.5000114.2R126 F154 R156R126-D152 PolarHBondContact NE-O 2.93Å; R126-D152 PolarHBondContact NH1-O 3.33Å; R126-D152 PolarHBondContact NH2-O 3.47Å; D152-F154 PolarHBondContact O-N 3.18Å; D152-R156 IonicContact OD1-NH2 3.05Å; D152-R156 PolarHBondContact OD1-NH2 3.35Å
153Q70.3Confident85.9Confident165 Ų16566.6 Ų66.677%0.77133%0.333SS*.THydrogen-bonded Turntrans-80.4-6174.1-65.9177.9-7.400112.4S151S151-Q153 PolarHBondContact O-N 3.28Å; S151-Q153 VanDerWaalsContact O-N 3.16Å
154F82.8Confident85.9Confident65 Ų6572 Ų7229%0.28536%0.356SS..SBendtrans-105.5171.6-172.9-71.2-72.2000112.6R126 K147 Y149 S151 D152R126-F154 PolarHBondContact NE-O 2.96Å; K147-F154 HydrophobicContact CB-CD1 4.01Å; K147-F154 VanDerWaalsContact O-CB 3.27Å; K147-F154 WeakPolarHBondContact O-CB 3.08Å; Y149-F154 AromaticContact CD2-CD1 3.44Å; Y149-F154 HydrophobicContact CD2-CD1 3.44Å; Y149-F154 VanDerWaalsContact CD2-CD1 3.44Å; Y149-F154 HydrophobicContact CD2-CD2 4.25Å; Y149-F154 AromaticContact CD2-CE1 3.4Å; Y149-F154 HydrophobicContact CD2-CE1 3.4Å; Y149-F154 VanDerWaalsContact CD2-CE1 3.4Å; Y149-F154 HydrophobicContact CD2-CE2 4.22Å; Y149-F154 AromaticContact CD2-CG 3.87Å; Y149-F154 HydrophobicContact CD2-CG 3.87Å; Y149-F154 AromaticContact CD2-CZ 3.81Å; Y149-F154 HydrophobicContact CD2-CZ 3.81Å; Y149-F154 HydrophobicContact CE2-CD1 4.25Å; Y149-F154 AromaticContact CE2-CE1 3.94Å; Y149-F154 HydrophobicContact CE2-CE1 3.94Å; Y149-F154 HydrophobicContact CE2-CZ 4.47Å; Y149-F154 HydrophobicContact CG-CD1 4.3Å; Y149-F154 HydrophobicContact CG-CD2 4.33Å; Y149-F154 HydrophobicContact CG-CE1 4.25Å; Y149-F154 HydrophobicContact CG-CE2 4.3Å; Y149-F154 HydrophobicContact CG-CG 4.32Å; Y149-F154 HydrophobicContact CG-CZ 4.25Å; S151-F154 PolarHBondContact O-N 3Å; S151-F154 WeakPolarHBondContact OG-CD2 3.13Å; S151-F154 WeakPolarHBondContact OG-CE2 3.49Å; D152-F154 PolarHBondContact O-N 3.18Å
155D94Very high86.1Confident3 Ų372 Ų722%0.01635%0.349CS..  trans-65.8152.2177.3-56.5-47.6000111.1K119 R126 I127 W146 K147K119-D155 WeakPolarHBondContact CE-OD2 3.49Å; K119-D155 IonicContact NZ-OD1 2.9Å; K119-D155 PolarHBondContact NZ-OD1 3.31Å; K119-D155 IonicContact NZ-OD2 2.7Å; K119-D155 PolarHBondContact NZ-OD2 2.87Å; R126-D155 WeakPolarHBondContact CA-OD1 3.49Å; I127-D155 PolarHBondContact N-OD1 3.43Å; I127-D155 CarbonylContact O-C 3.51Å; I127-D155 VanDerWaalsContact O-CA 3.23Å; I127-D155 WeakPolarHBondContact O-CA 3.3Å; W146-D155 HydrophobicContact CD2-CB 3.87Å; W146-D155 HydrophobicContact CE3-CB 3.76Å; W146-D155 HydrophobicContact CH2-CB 3.51Å; W146-D155 HydrophobicContact CZ2-CB 3.63Å; W146-D155 HydrophobicContact CZ3-CB 3.6Å; K147-D155 PolarHBondContact N-OD2 3.02Å; K147-D155 WeakPolarHBondContact O-CB 3.38Å; K147-D155 PolarHBondContact O-N 2.86Å
156R93.6Very high86.4Confident59 Ų5972.6 Ų72.622%0.22336%0.355CS..EExtended strand (participates in β ladder)trans-137.4127.3-178.9-67.5-63-168.4-157.5-2111.5I127 I128 C129 Y149 E150 S151 D152I127-R156 PolarHBondContact O-N 2.88Å; I128-R156 WeakPolarHBondContact CA-O 3.45Å; I128-R156 HydrophobicContact CG1-CB 4.47Å; I128-R156 HydrophobicContact CG2-CB 4.39Å; C129-R156 PolarHBondContact N-O 3.43Å; Y149-R156 PolarHBondContact O-NH1 3.03Å; E150-R156 PolarHBondContact O-NH2 3.31Å; S151-R156 PolarHBondContact O-NH2 3.18Å; D152-R156 IonicContact OD1-NH2 3.05Å; D152-R156 PolarHBondContact OD1-NH2 3.35Å
157A94.4Very high86.4Confident5 Ų573 Ų734%0.04136%0.359CS..EExtended strand (participates in β ladder)trans-104.5107.217100000110.3K137 M140 W146 E148K137-A157 HydrophobicContact CD-CB 4.25Å; K137-A157 WeakPolarHBondContact CE-O 3.43Å; K137-A157 HydrophobicContact CG-CB 4.15Å; K137-A157 PolarHBondContact NZ-O 2.82Å; M140-A157 HydrophobicContact CB-CB 4.44Å; M140-A157 HydrophobicContact CE-CB 4.03Å; M140-A157 HydrophobicContact CG-CB 3.9Å; W146-A157 HydrophobicContact CH2-CB 4.45Å; W146-A157 HydrophobicContact CZ2-CB 3.89Å; E148-A157 PolarHBondContact OE1-N 3.04Å
158I94Very high86.7Confident65 Ų6574.1 Ų74.133%0.33337%0.368SS..EExtended strand (participates in β ladder)trans-95111.3179.5-57.2174.7000108.2I128 C129 E130 L131I128-I158 HydrophobicContact CG2-CD1 3.8Å; I128-I158 HydrophobicContact CG2-CG1 4.48Å; C129-I158 PolarHBondContact O-N 3.18Å; E130-I158 WeakPolarHBondContact CA-O 3.38Å; L131-I158 PolarHBondContact N-O 2.99Å
159C95.9Very high87.3Confident2 Ų273.1 Ų73.11%0.01437%0.374CS..EExtended strand (participates in β ladder)trans-95.7115.4173.3176.50000109.8L131 L133 K137 T161 Q162 M163L131-C159 CarbonylContact O-C 3.57Å; L131-C159 VanDerWaalsContact O-CA 3.31Å; L131-C159 WeakPolarHBondContact O-CA 3.3Å; L133-C159 PolarHBondContact O-SG 2.71Å; K137-C159 HydrophobicContact CB-CB 4.5Å; K137-C159 HydrophobicContact CD-CB 3.77Å; C159-T161 PolarHBondContact O-N 2.97Å; C159-Q162 HydrophobicContact CB-CB 3.68Å; C159-Q162 WeakPolarHBondContact O-CB 3.15Å; C159-Q162 PolarHBondContact O-N 3.28Å; C159-Q162 PolarHBondContact SG-N 2.73Å; C159-Q162 VanDerWaalsContact SG-N 3.44Å; C159-M163 PolarHBondContact O-N 3.44Å
160L94.6Very high88.4Confident28 Ų2869.7 Ų69.715%0.14737%0.365CS..Hα-helixtrans-64-41-177.4-66.3-178.9000112.1S97 K99 L131 M163 K164S97-L160 VanDerWaalsContact OG-CD1 3.3Å; S97-L160 WeakPolarHBondContact OG-CD1 3.45Å; K99-L160 HydrophobicContact CG-CD1 3.9Å; L131-L160 PolarHBondContact O-N 3.05Å; L160-M163 PolarHBondContact O-N 3.08Å; L160-K164 WeakPolarHBondContact O-CB 3.35Å; L160-K164 VanDerWaalsContact O-CG 3.32Å; L160-K164 WeakPolarHBondContact O-CG 3.41Å; L160-K164 PolarHBondContact O-N 3.37Å
161T94.7Very high89.9Confident55 Ų5564.8 Ų64.834%0.33734%0.343SS..Hα-helixtrans-64.9-42.9176.9-61.90000111.2M132 C159 M163 K164 L165M132-T161 WeakPolarHBondContact O-CB 3.49Å; M132-T161 PolarHBondContact O-N 3.25Å; M132-T161 PolarHBondContact O-OG1 3.46Å; C159-T161 PolarHBondContact O-N 2.97Å; T161-M163 VanDerWaalsContact C-N 3.34Å; T161-M163 PolarHBondContact O-N 2.76Å; T161-K164 PolarHBondContact O-N 3.12Å; T161-L165 HydrophobicContact CG2-CD1 3.76Å; T161-L165 HydrophobicContact CG2-CG 4.24Å; T161-L165 WeakPolarHBondContact O-CB 3.17Å; T161-L165 WeakPolarHBondContact O-CG 3.49Å; T161-L165 PolarHBondContact O-N 3.21Å
162Q95.6Very high91.4Very high94 Ų9468.5 Ų68.544%0.43937%0.368SS..Hα-helixtrans-58.6-45.8174.7-177.217845.900111.5I134 C159 G166I134-Q162 HydrophobicContact CD1-CB 4.37Å; C159-Q162 HydrophobicContact CB-CB 3.68Å; C159-Q162 WeakPolarHBondContact O-CB 3.15Å; C159-Q162 PolarHBondContact O-N 3.28Å; C159-Q162 PolarHBondContact SG-N 2.73Å; C159-Q162 VanDerWaalsContact SG-N 3.44Å; Q162-G166 PolarHBondContact O-N 2.96Å
163M92.6Very high92.8Very high82 Ų8269 Ų6940%0.40438%0.375SS..Hα-helixtrans-65-44.9179.7-175.4175.817000111.8C159 L160 T161 G166 L167C159-M163 PolarHBondContact O-N 3.44Å; L160-M163 PolarHBondContact O-N 3.08Å; T161-M163 VanDerWaalsContact C-N 3.34Å; T161-M163 PolarHBondContact O-N 2.76Å; M163-G166 PolarHBondContact O-N 3.43Å; M163-L167 HydrophobicContact CE-CD1 4.3Å; M163-L167 HydrophobicContact CG-CD1 4.29Å; M163-L167 WeakPolarHBondContact O-CG 3.44Å; M163-L167 PolarHBondContact O-N 2.93Å
164K93.5Very high94Very high132 Ų13264.3 Ų64.357%0.57436%0.36SS*.Hα-helixtrans-62.1-50.7178.1-74.2175.5-179.2179.60111.8L160 T161 G166 L167 L168L160-K164 WeakPolarHBondContact O-CB 3.35Å; L160-K164 VanDerWaalsContact O-CG 3.32Å; L160-K164 WeakPolarHBondContact O-CG 3.41Å; L160-K164 PolarHBondContact O-N 3.37Å; T161-K164 PolarHBondContact O-N 3.12Å; K164-G166 VanDerWaalsContact C-N 3.32Å; K164-G166 PolarHBondContact O-N 3.38Å; K164-L167 PolarHBondContact O-N 2.89Å; K164-L168 WeakPolarHBondContact O-CG 3.3Å; K164-L168 PolarHBondContact O-N 3.37Å
165L95.8Very high94.5Very high107 Ų10768.5 Ų68.556%0.5639%0.385SS*.Hα-helixtrans-65.2-37.8179.5-67.9176.7000111.7T161 L168 A169T161-L165 HydrophobicContact CG2-CD1 3.76Å; T161-L165 HydrophobicContact CG2-CG 4.24Å; T161-L165 WeakPolarHBondContact O-CB 3.17Å; T161-L165 WeakPolarHBondContact O-CG 3.49Å; T161-L165 PolarHBondContact O-N 3.21Å; L165-L168 HydrophobicContact CD2-CD1 4.49Å; L165-L168 PolarHBondContact O-N 3.42Å; L165-A169 WeakPolarHBondContact O-CB 3.42Å; L165-A169 PolarHBondContact O-N 3.28Å
166G94.6Very high94.4Very high36 Ų3670.1 Ų70.137%0.37140%0.403SS..Hα-helixtrans-60.1-47.917400000112.4Q162 M163 K164 L168 A169 L170Q162-G166 PolarHBondContact O-N 2.96Å; M163-G166 PolarHBondContact O-N 3.43Å; K164-G166 VanDerWaalsContact C-N 3.32Å; K164-G166 PolarHBondContact O-N 3.38Å; G166-L168 PolarHBondContact O-N 2.87Å; G166-A169 PolarHBondContact O-N 3.4Å; G166-L170 WeakPolarHBondContact O-CG 3.45Å; G166-L170 PolarHBondContact O-N 3.07Å; G166-L170 VanDerWaalsContact O-N 3.15Å
167L92.7Very high94.5Very high37 Ų3769.1 Ų69.119%0.19440%0.403CS..Hα-helixtrans-63.3-39.6176.3-73.3172.2000112.4M163 K164 L170 S178 L181M163-L167 HydrophobicContact CE-CD1 4.3Å; M163-L167 HydrophobicContact CG-CD1 4.29Å; M163-L167 WeakPolarHBondContact O-CG 3.44Å; M163-L167 PolarHBondContact O-N 2.93Å; K164-L167 PolarHBondContact O-N 2.89Å; L167-L170 PolarHBondContact O-N 2.83Å; L167-S178 WeakPolarHBondContact O-CB 3.36Å; L167-L181 HydrophobicContact CD2-CD1 4.19Å
168L93.7Very high94.4Very high108 Ų10869.9 Ų69.957%0.56541%0.408SS*.Hα-helixtrans-64.5-42.8175.8-72.2172.4000112K164 L165 G166 L170 N171K164-L168 WeakPolarHBondContact O-CG 3.3Å; K164-L168 PolarHBondContact O-N 3.37Å; L165-L168 HydrophobicContact CD2-CD1 4.49Å; L165-L168 PolarHBondContact O-N 3.42Å; G166-L168 PolarHBondContact O-N 2.87Å; L168-L170 VanDerWaalsContact C-N 3.27Å; L168-L170 PolarHBondContact O-N 3.39Å; L168-N171 WeakPolarHBondContact O-CB 3.19Å; L168-N171 PolarHBondContact O-N 2.99Å; L168-N171 VanDerWaalsContact O-N 3.13Å
169A96.8Very high94.3Very high59 Ų5969.9 Ų69.949%0.48841%0.411SS..Hα-helixtrans-62.4-33.4177.800000112.4L165 G166 N171 C172L165-A169 WeakPolarHBondContact O-CB 3.42Å; L165-A169 PolarHBondContact O-N 3.28Å; G166-A169 PolarHBondContact O-N 3.4Å; A169-N171 VanDerWaalsContact C-N 3.26Å; A169-N171 PolarHBondContact O-N 3.26Å; A169-C172 WeakPolarHBondContact O-CB 3.29Å; A169-C172 PolarHBondContact O-N 3.07Å; A169-C172 VanDerWaalsContact O-N 3.11Å
170L95.1Very high94.1Very high72 Ų7274 Ų7438%0.37743%0.433SS..Hα-helixtrans-63.7-29.9175.8-70.6177.2000113.1G166 L167 L168 C172 V173 S174 V177 L181G166-L170 WeakPolarHBondContact O-CG 3.45Å; G166-L170 PolarHBondContact O-N 3.07Å; G166-L170 VanDerWaalsContact O-N 3.15Å; L167-L170 PolarHBondContact O-N 2.83Å; L168-L170 VanDerWaalsContact C-N 3.27Å; L168-L170 PolarHBondContact O-N 3.39Å; L170-C172 PolarHBondContact O-N 3.09Å; L170-V173 WeakPolarHBondContact O-CB 3.46Å; L170-V173 PolarHBondContact O-N 2.81Å; L170-S174 PolarHBondContact O-N 3.33Å; L170-V177 HydrophobicContact CB-CG1 4.11Å; L170-V177 HydrophobicContact CD1-CG1 4.38Å; L170-L181 HydrophobicContact CD1-CD1 3.8Å
171N95.3Very high93.9Very high34 Ų3475.4 Ų75.418%0.18244%0.44CS..Hα-helixtrans-66.3-26.3175.3-70.1-37000112.6L168 A169 V173 S174 N175 G176 V177 S178L168-N171 WeakPolarHBondContact O-CB 3.19Å; L168-N171 PolarHBondContact O-N 2.99Å; L168-N171 VanDerWaalsContact O-N 3.13Å; A169-N171 VanDerWaalsContact C-N 3.26Å; A169-N171 PolarHBondContact O-N 3.26Å; N171-V173 VanDerWaalsContact C-N 3.26Å; N171-V173 PolarHBondContact O-N 3.26Å; N171-S174 WeakPolarHBondContact CA-O 3.33Å; N171-S174 CarbonylContact O-C 3.58Å; N171-N175 PolarHBondContact O-N 2.85Å; N171-N175 PolarHBondContact O-OD1 2.69Å; N171-G176 PolarHBondContact OD1-N 2.71Å; N171-V177 PolarHBondContact OD1-N 3.37Å; N171-S178 WeakPolarHBondContact ND2-CB 3.29Å; N171-S178 PolarHBondContact ND2-OG 2.78Å; N171-S178 WeakPolarHBondContact OD1-CB 3.32Å; N171-S178 PolarHBondContact OD1-N 3.42Å; N171-S178 PolarHBondContact OD1-OG 2.89Å
172C95.2Very high93.6Very high118 Ų11874.7 Ų74.780%0.79744%0.437SS*.Hα-helixtrans-70-24.8173.1-58.10000112.3A169 L170A169-C172 WeakPolarHBondContact O-CB 3.29Å; A169-C172 PolarHBondContact O-N 3.07Å; A169-C172 VanDerWaalsContact O-N 3.11Å; L170-C172 PolarHBondContact O-N 3.09Å
173V94.3Very high93.3Very high124 Ų12471.3 Ų71.375%0.75242%0.421SS*.Hα-helixtrans-81.9-44175.2-179.40000110.4L170 N171L170-V173 WeakPolarHBondContact O-CB 3.46Å; L170-V173 PolarHBondContact O-N 2.81Å; N171-V173 VanDerWaalsContact C-N 3.26Å; N171-V173 PolarHBondContact O-N 3.26Å
174S93.9Very high92.9Very high65 Ų6569.1 Ų69.146%0.45541%0.41SS..SBendtrans-152124.4175.4173.80000110.8L170 N171 G176 V177L170-S174 PolarHBondContact O-N 3.33Å; N171-S174 WeakPolarHBondContact CA-O 3.33Å; N171-S174 CarbonylContact O-C 3.58Å; S174-G176 PolarHBondContact O-N 2.8Å; S174-V177 VanDerWaalsContact CB-CG2 3.5Å; S174-V177 WeakPolarHBondContact O-CB 3.49Å; S174-V177 VanDerWaalsContact O-CG2 3.31Å; S174-V177 WeakPolarHBondContact O-CG2 3.44Å; S174-V177 PolarHBondContact O-N 2.86Å
175N95.1Very high92.3Very high154 Ų15467.9 Ų67.982%0.82441%0.408SS*.THydrogen-bonded Turntrans-59.7129.2-175.4-69.9-37.5000111.3N171 V177N171-N175 PolarHBondContact O-N 2.85Å; N171-N175 PolarHBondContact O-OD1 2.69Å; N175-V177 VanDerWaalsContact C-N 3.32Å; N175-V177 PolarHBondContact O-N 2.82Å
176G92Very high91.4Very high37 Ų3766.8 Ų66.838%0.38140%0.401SS..THydrogen-bonded Turntrans81.24.4176.600000114.9N171 S174 S178 T179 L180N171-G176 PolarHBondContact OD1-N 2.71Å; S174-G176 PolarHBondContact O-N 2.8Å; G176-S178 VanDerWaalsContact C-N 3.32Å; G176-S178 PolarHBondContact O-N 2.55Å; G176-T179 WeakPolarHBondContact O-CB 3.34Å; G176-T179 PolarHBondContact O-N 2.82Å; G176-L180 PolarHBondContact O-N 2.68Å
177V93.7Very high90Very high38 Ų3869.4 Ų69.423%0.2340%0.4CS..Hα-helixtrans-60.7-40.6175.51660000111.7L170 N171 S174 N175 T179 L180 L181L170-V177 HydrophobicContact CB-CG1 4.11Å; L170-V177 HydrophobicContact CD1-CG1 4.38Å; N171-V177 PolarHBondContact OD1-N 3.37Å; S174-V177 VanDerWaalsContact CB-CG2 3.5Å; S174-V177 WeakPolarHBondContact O-CB 3.49Å; S174-V177 VanDerWaalsContact O-CG2 3.31Å; S174-V177 WeakPolarHBondContact O-CG2 3.44Å; S174-V177 PolarHBondContact O-N 2.86Å; N175-V177 VanDerWaalsContact C-N 3.32Å; N175-V177 PolarHBondContact O-N 2.82Å; V177-T179 VanDerWaalsContact C-N 3.28Å; V177-T179 PolarHBondContact O-N 2.97Å; V177-L180 PolarHBondContact O-N 3.32Å; V177-L181 HydrophobicContact CG1-CD1 3.84Å; V177-L181 HydrophobicContact CG1-CG 4.15Å; V177-L181 WeakPolarHBondContact O-CB 3.23Å; V177-L181 WeakPolarHBondContact O-CG 3.41Å; V177-L181 PolarHBondContact O-N 2.76Å
178S93.7Very high88.8Confident20 Ų2071.3 Ų71.314%0.1441%0.411CS..Hα-helixtrans-62-40.4176.9750000111.3L167 N171 G176 L181 C182L167-S178 WeakPolarHBondContact O-CB 3.36Å; N171-S178 WeakPolarHBondContact ND2-CB 3.29Å; N171-S178 PolarHBondContact ND2-OG 2.78Å; N171-S178 WeakPolarHBondContact OD1-CB 3.32Å; N171-S178 PolarHBondContact OD1-N 3.42Å; N171-S178 PolarHBondContact OD1-OG 2.89Å; G176-S178 VanDerWaalsContact C-N 3.32Å; G176-S178 PolarHBondContact O-N 2.55Å; S178-L181 PolarHBondContact O-N 3.26Å; S178-C182 VanDerWaalsContact O-CB 3.28Å; S178-C182 WeakPolarHBondContact O-CB 3.36Å; S178-C182 PolarHBondContact O-N 3.03Å; S178-C182 PolarHBondContact O-SG 3.18Å
179T92.1Very high87.5Confident66 Ų6671.5 Ų71.541%0.40542%0.421SS..Hα-helixtrans-63-45.3177-530000110.6G176 V177 C182 N183 Y206G176-T179 WeakPolarHBondContact O-CB 3.34Å; G176-T179 PolarHBondContact O-N 2.82Å; V177-T179 VanDerWaalsContact C-N 3.28Å; V177-T179 PolarHBondContact O-N 2.97Å; T179-C182 PolarHBondContact O-N 2.83Å; T179-N183 WeakPolarHBondContact O-CB 2.92Å; T179-N183 PolarHBondContact O-N 2.84Å; T179-N183 PolarHBondContact O-ND2 3.38Å; T179-N183 PolarHBondContact O-OD1 2.86Å; T179-Y206 HydrophobicContact CG2-CE2 4.4Å
180L91.8Very high86.3Confident89 Ų8971.9 Ų71.947%0.46642%0.417SS..Hα-helixtrans-61-46.6176.4-177.865.5000112.1G176 V177 N183 F184G176-L180 PolarHBondContact O-N 2.68Å; V177-L180 PolarHBondContact O-N 3.32Å; L180-N183 WeakPolarHBondContact O-CB 3.21Å; L180-N183 PolarHBondContact O-N 2.86Å; L180-F184 HydrophobicContact CD1-CE1 3.85Å; L180-F184 HydrophobicContact CD1-CE2 3.98Å; L180-F184 HydrophobicContact CD1-CZ 3.45Å; L180-F184 VanDerWaalsContact CD1-CZ 3.45Å; L180-F184 HydrophobicContact CD2-CE2 4.08Å; L180-F184 HydrophobicContact CD2-CZ 4.17Å; L180-F184 HydrophobicContact CG-CD2 4.36Å; L180-F184 HydrophobicContact CG-CE1 4.41Å; L180-F184 HydrophobicContact CG-CE2 3.65Å; L180-F184 HydrophobicContact CG-CZ 3.68Å; L180-F184 WeakPolarHBondContact O-CG 3.39Å; L180-F184 PolarHBondContact O-N 2.88Å
181L90.2Very high85.5Confident57 Ų5770 Ų7030%0.29841%0.409SS..Hα-helixtrans-65.6-44.1178.7-69.9177.6000111.8L167 L170 V177 S178 N183 F184 I185L167-L181 HydrophobicContact CD2-CD1 4.19Å; L170-L181 HydrophobicContact CD1-CD1 3.8Å; V177-L181 HydrophobicContact CG1-CD1 3.84Å; V177-L181 HydrophobicContact CG1-CG 4.15Å; V177-L181 WeakPolarHBondContact O-CB 3.23Å; V177-L181 WeakPolarHBondContact O-CG 3.41Å; V177-L181 PolarHBondContact O-N 2.76Å; S178-L181 PolarHBondContact O-N 3.26Å; L181-N183 VanDerWaalsContact C-N 3.26Å; L181-N183 PolarHBondContact O-N 3.22Å; L181-F184 HydrophobicContact CD2-CD2 4.35Å; L181-F184 PolarHBondContact O-N 3.23Å; L181-I185 WeakPolarHBondContact O-CG1 3.5Å; L181-I185 PolarHBondContact O-N 3.05Å
182C88.6Confident84.8Confident40 Ų4073.2 Ų73.227%0.2743%0.43SS..Hα-helixtrans-59.3-40.3172.8-73.20000110.7S178 T179 F184 I185 M186S178-C182 VanDerWaalsContact O-CB 3.28Å; S178-C182 WeakPolarHBondContact O-CB 3.36Å; S178-C182 PolarHBondContact O-N 3.03Å; S178-C182 PolarHBondContact O-SG 3.18Å; T179-C182 PolarHBondContact O-N 2.83Å; C182-F184 PolarHBondContact O-N 2.91Å; C182-I185 PolarHBondContact O-N 3.04Å; C182-I185 VanDerWaalsContact O-N 3.16Å; C182-M186 HydrophobicContact CB-CG 4.37Å; C182-M186 WeakPolarHBondContact O-CA 3.33Å; C182-M186 VanDerWaalsContact O-CB 3.23Å; C182-M186 WeakPolarHBondContact O-CB 3.49Å; C182-M186 PolarHBondContact O-N 2.87Å
183N87.9Confident84.2Confident22 Ų2271 Ų7112%0.11842%0.42CS..Hα-helixtrans-64.6-27.2174.9-71.7-16.4000113.3T179 L180 L181 Y206 T210 K213T179-N183 WeakPolarHBondContact O-CB 2.92Å; T179-N183 PolarHBondContact O-N 2.84Å; T179-N183 PolarHBondContact O-ND2 3.38Å; T179-N183 PolarHBondContact O-OD1 2.86Å; L180-N183 WeakPolarHBondContact O-CB 3.21Å; L180-N183 PolarHBondContact O-N 2.86Å; L181-N183 VanDerWaalsContact C-N 3.26Å; L181-N183 PolarHBondContact O-N 3.22Å; N183-Y206 VanDerWaalsContact ND2-CE2 3.28Å; N183-Y206 WeakPolarHBondContact ND2-CE2 3.46Å; N183-Y206 VanDerWaalsContact ND2-CZ 3.31Å; N183-Y206 PolarHBondContact ND2-OH 3.28Å; N183-Y206 PolarHBondContact OD1-OH 3.06Å; N183-T210 HydrophobicContact CB-CG2 4.31Å; N183-K213 PolarHBondContact O-NZ 3.45Å
184F85.4Confident83.8Confident37 Ų3768.5 Ų68.516%0.16241%0.413CS..Hα-helixtrans-78.4-30.5174.1-64.3-28.7000112.9L180 L181 C182 K213 L214 L278L180-F184 HydrophobicContact CD1-CE1 3.85Å; L180-F184 HydrophobicContact CD1-CE2 3.98Å; L180-F184 HydrophobicContact CD1-CZ 3.45Å; L180-F184 VanDerWaalsContact CD1-CZ 3.45Å; L180-F184 HydrophobicContact CD2-CE2 4.08Å; L180-F184 HydrophobicContact CD2-CZ 4.17Å; L180-F184 HydrophobicContact CG-CD2 4.36Å; L180-F184 HydrophobicContact CG-CE1 4.41Å; L180-F184 HydrophobicContact CG-CE2 3.65Å; L180-F184 HydrophobicContact CG-CZ 3.68Å; L180-F184 WeakPolarHBondContact O-CG 3.39Å; L180-F184 PolarHBondContact O-N 2.88Å; L181-F184 HydrophobicContact CD2-CD2 4.35Å; L181-F184 PolarHBondContact O-N 3.23Å; C182-F184 PolarHBondContact O-N 2.91Å; F184-K213 WeakPolarHBondContact O-CD 3.24Å; F184-L214 HydrophobicContact CB-CD1 4.15Å; F184-L214 HydrophobicContact CB-CG 4.32Å; F184-L214 HydrophobicContact CD2-CD1 3.79Å; F184-L214 HydrophobicContact CD2-CG 4.16Å; F184-L214 HydrophobicContact CE2-CD1 4.47Å; F184-L214 HydrophobicContact CG-CD1 4.16Å; F184-L214 HydrophobicContact CG-CG 4.2Å; F184-L278 HydrophobicContact CD1-CD1 3.92Å; F184-L278 HydrophobicContact CE1-CD1 3.5Å; F184-L278 VanDerWaalsContact CE1-CD1 3.5Å; F184-L278 HydrophobicContact CE1-CD2 4.37Å; F184-L278 HydrophobicContact CZ-CD1 4.1Å
185I80Confident83.4Confident106 Ų10668.6 Ų68.654%0.54441%0.41SS..Hα-helixtrans-95-57.5-174.6-60.5165000110.6L181 C182L181-I185 WeakPolarHBondContact O-CG1 3.5Å; L181-I185 PolarHBondContact O-N 3.05Å; C182-I185 PolarHBondContact O-N 3.04Å; C182-I185 VanDerWaalsContact O-N 3.16Å
186M77.1Confident82.8Confident83 Ų8363.7 Ų63.741%0.40938%0.38SS..SBendtrans-77.2146.4-175.8-54.6-64.3162.700111.1C182 K213C182-M186 HydrophobicContact CB-CG 4.37Å; C182-M186 WeakPolarHBondContact O-CA 3.33Å; C182-M186 VanDerWaalsContact O-CB 3.23Å; C182-M186 WeakPolarHBondContact O-CB 3.49Å; C182-M186 PolarHBondContact O-N 2.87Å; M186-K213 PolarHBondContact O-NZ 3.22Å
187R66.6Low82.5Confident91 Ų9170.9 Ų70.934%0.34340%0.401SS..PPolyproline II helixtrans-90138.3166-73.5-166.7170.397-9.2110.5N34N34-R187 PolarHBondContact O-NH1 3.34Å; N34-R187 PolarHBondContact O-NH2 3.16Å
188D65.6Low82.4Confident78 Ų7874.5 Ų74.542%0.41742%0.423SS..PPolyproline II helixtrans-101.8141.4168.3-92.4-29.4000110V190D188-V190 PolarHBondContact O-N 2.77Å
189S66.6Low82.2Confident112 Ų11275.7 Ų75.778%0.78343%0.428SS*.  trans-63.9101.7164.458.70000108.6P191S189-P191 WeakPolarHBondContact O-CD 3.31Å
190V71.8Confident82.3Confident67 Ų6775.7 Ų75.741%0.40643%0.429SS..PPolyproline II helixtrans-62.5124.5175.9-179.70000108.1D188D188-V190 PolarHBondContact O-N 2.77Å
191P78.2Confident82.4Confident31 Ų3180.7 Ų80.720%0.20144%0.442CS..PPolyproline II helixtrans-56.7146.9179.6-25.833.2000112S189 V195 R196 L199 F207S189-P191 WeakPolarHBondContact O-CD 3.31Å; P191-V195 HydrophobicContact CB-CB 4.15Å; P191-V195 HydrophobicContact CB-CG1 4.09Å; P191-R196 HydrophobicContact CB-CG 4.13Å; P191-R196 WeakPolarHBondContact O-CD 3.3Å; P191-R196 WeakPolarHBondContact O-CG 3.44Å; P191-L199 HydrophobicContact CB-CD1 4.31Å; P191-L199 HydrophobicContact CG-CD1 4.2Å; P191-F207 VanDerWaalsContact CD-CE1 3.47Å; P191-F207 HydrophobicContact CG-CD1 4.42Å; P191-F207 HydrophobicContact CG-CD2 3.93Å; P191-F207 HydrophobicContact CG-CE1 4Å; P191-F207 HydrophobicContact CG-CE2 3.45Å; P191-F207 VanDerWaalsContact CG-CE2 3.45Å; P191-F207 HydrophobicContact CG-CG 4.4Å; P191-F207 HydrophobicContact CG-CZ 3.49Å; P191-F207 VanDerWaalsContact CG-CZ 3.49Å
192T82Confident82.6Confident103 Ų10385.9 Ų85.963%0.63246%0.458SS*.PPolyproline II helixtrans-58.2151.6177.9-29.70000110.8A194 V195 R196T192-A194 PolarHBondContact O-N 2.8Å; T192-A194 VanDerWaalsContact O-N 3.08Å; T192-V195 PolarHBondContact O-N 3.28Å; T192-R196 PolarHBondContact O-N 2.94Å
193A81.7Confident82.8Confident71 Ų7185.6 Ų85.659%0.58745%0.453SS*.Hα-helixtrans-54-33.5-179.100000113.6R196 K197A193-R196 PolarHBondContact O-N 3.03Å; A193-K197 PolarHBondContact O-N 3.45Å
194A86Confident82.9Confident72 Ų7286.2 Ų86.260%0.59546%0.456SS*.Hα-helixtrans-63.4-47.1174.900000112.2T192 K197T192-A194 PolarHBondContact O-N 2.8Å; T192-A194 VanDerWaalsContact O-N 3.08Å; A194-K197 PolarHBondContact O-N 3.42Å
195V85.2Confident83.2Confident67 Ų6789.1 Ų89.141%0.40647%0.47SS..Hα-helixtrans-66.8-38.7176.6-177.10000110.5P191 T192 K197 T198 L199P191-V195 HydrophobicContact CB-CB 4.15Å; P191-V195 HydrophobicContact CB-CG1 4.09Å; T192-V195 PolarHBondContact O-N 3.28Å; V195-K197 PolarHBondContact O-N 3.12Å; V195-T198 PolarHBondContact O-N 3.1Å; V195-T198 PolarHBondContact O-OG1 2.76Å; V195-L199 HydrophobicContact CG1-CD1 4.2Å; V195-L199 HydrophobicContact CG1-CG 4.33Å; V195-L199 WeakPolarHBondContact O-CG 3.5Å; V195-L199 PolarHBondContact O-N 2.85Å
196R82.3Confident83.7Confident50 Ų5088 Ų8819%0.18946%0.46CS..Hα-helixtrans-58.5-31.6178-73.1-173.867.1145.83.4113.8P191 T192 A193 T198 L199 N204P191-R196 HydrophobicContact CB-CG 4.13Å; P191-R196 WeakPolarHBondContact O-CD 3.3Å; P191-R196 WeakPolarHBondContact O-CG 3.44Å; T192-R196 PolarHBondContact O-N 2.94Å; A193-R196 PolarHBondContact O-N 3.03Å; R196-T198 VanDerWaalsContact C-N 3.28Å; R196-T198 PolarHBondContact O-N 3.16Å; R196-L199 PolarHBondContact O-N 2.86Å; R196-N204 WeakPolarHBondContact CB-OD1 3.39Å; R196-N204 PolarHBondContact NE-OD1 3.27Å; R196-N204 PolarHBondContact NH2-O 3.02Å; R196-N204 PolarHBondContact O-ND2 3.39Å; R196-N204 PolarHBondContact O-OD1 3.21Å
197K86.5Confident84.2Confident188 Ų18885.5 Ų85.582%0.81745%0.447SS*.Hα-helixtrans-69.1-25177-71.3179.5-178.7-177.30113.2A193 A194 V195A193-K197 PolarHBondContact O-N 3.45Å; A194-K197 PolarHBondContact O-N 3.42Å; V195-K197 PolarHBondContact O-N 3.12Å
198T90.6Very high85.2Confident114 Ų11484.3 Ų84.370%0.69945%0.445SS*.Hα-helixtrans-90.6-15178.866.10000112.6V195 R196V195-T198 PolarHBondContact O-N 3.1Å; V195-T198 PolarHBondContact O-OG1 2.76Å; R196-T198 VanDerWaalsContact C-N 3.28Å; R196-T198 PolarHBondContact O-N 3.16Å
199L90.8Very high86.2Confident45 Ų4582.4 Ų82.424%0.23644%0.443CS..SBendtrans-80.5143.4-178.3-67.8172.8000112.3P191 V195 R196 I203 N204 F207P191-L199 HydrophobicContact CB-CD1 4.31Å; P191-L199 HydrophobicContact CG-CD1 4.2Å; V195-L199 HydrophobicContact CG1-CD1 4.2Å; V195-L199 HydrophobicContact CG1-CG 4.33Å; V195-L199 WeakPolarHBondContact O-CG 3.5Å; V195-L199 PolarHBondContact O-N 2.85Å; R196-L199 PolarHBondContact O-N 2.86Å; L199-I203 HydrophobicContact CB-CB 4.31Å; L199-I203 HydrophobicContact CB-CG2 4.27Å; L199-I203 HydrophobicContact CD1-CG2 3.9Å; L199-I203 HydrophobicContact CD2-CD1 4.34Å; L199-I203 HydrophobicContact CD2-CG2 4.38Å; L199-I203 HydrophobicContact CG-CG2 4.41Å; L199-N204 PolarHBondContact O-ND2 2.89Å; L199-F207 HydrophobicContact CD1-CE2 4.21Å
200P94.4Very high87.2Confident66 Ų6677.6 Ų77.643%0.42941%0.409SS..  trans-49.9148.7169.3-27.332.3000113.2W202 I203 N204P200-W202 VanDerWaalsContact C-N 3.3Å; P200-W202 PolarHBondContact O-N 2.93Å; P200-I203 HydrophobicContact CB-CD1 4.47Å; P200-I203 HydrophobicContact CB-CG1 4.26Å; P200-I203 HydrophobicContact CG-CD1 4.1Å; P200-I203 HydrophobicContact CG-CG1 4.43Å; P200-I203 WeakPolarHBondContact O-CB 3.45Å; P200-I203 PolarHBondContact O-N 3.05Å; P200-N204 PolarHBondContact O-N 3.5Å
201R93.4Very high87.8Confident195 Ų19578.2 Ų78.274%0.73641%0.407SS*.Hα-helixtrans-52.5-45.3-178.7179.4178.7167-178.5-4.1113I203 N204 E205R201-I203 VanDerWaalsContact C-N 3.27Å; R201-I203 PolarHBondContact O-N 3.33Å; R201-N204 WeakPolarHBondContact O-CB 3.43Å; R201-N204 PolarHBondContact O-N 3.45Å; R201-N204 VanDerWaalsContact O-N 3.1Å; R201-E205 HydrophobicContact CG-CG 4.48Å; R201-E205 IonicContact CZ-OE1 3.31Å; R201-E205 VanDerWaalsContact CZ-OE1 3.31Å; R201-E205 IonicContact NE-OE1 2.75Å; R201-E205 PolarHBondContact NE-OE1 3.04Å; R201-E205 IonicContact NH2-OE1 3.22Å; R201-E205 PolarHBondContact NH2-OE1 3.33Å; R201-E205 PolarHBondContact O-N 2.9Å
202W93.8Very high88.3Confident166 Ų16680 Ų8063%0.62941%0.41SS*.Hα-helixtrans-63.1-32.6-178.773.4-97000112.6P200 E205 Y206P200-W202 VanDerWaalsContact C-N 3.3Å; P200-W202 PolarHBondContact O-N 2.93Å; W202-E205 PolarHBondContact O-N 2.97Å; W202-Y206 WeakPolarHBondContact O-CB 3.43Å; W202-Y206 PolarHBondContact O-N 3.27Å
203I92.4Very high88.5Confident33 Ų3376.4 Ų76.417%0.16939%0.386CS..Hα-helixtrans-69.3-39.8175.8-59.2-170.2000110L199 P200 R201 E205 Y206 F207L199-I203 HydrophobicContact CB-CB 4.31Å; L199-I203 HydrophobicContact CB-CG2 4.27Å; L199-I203 HydrophobicContact CD1-CG2 3.9Å; L199-I203 HydrophobicContact CD2-CD1 4.34Å; L199-I203 HydrophobicContact CD2-CG2 4.38Å; L199-I203 HydrophobicContact CG-CG2 4.41Å; P200-I203 HydrophobicContact CB-CD1 4.47Å; P200-I203 HydrophobicContact CB-CG1 4.26Å; P200-I203 HydrophobicContact CG-CD1 4.1Å; P200-I203 HydrophobicContact CG-CG1 4.43Å; P200-I203 WeakPolarHBondContact O-CB 3.45Å; P200-I203 PolarHBondContact O-N 3.05Å; R201-I203 VanDerWaalsContact C-N 3.27Å; R201-I203 PolarHBondContact O-N 3.33Å; I203-E205 VanDerWaalsContact C-N 3.34Å; I203-Y206 WeakPolarHBondContact O-CB 3.26Å; I203-Y206 PolarHBondContact O-N 2.84Å; I203-F207 HydrophobicContact CG2-CD2 3.61Å; I203-F207 HydrophobicContact CG2-CE2 3.39Å; I203-F207 WeakPolarHBondContact O-CD2 3.49Å; I203-F207 PolarHBondContact O-N 3.47Å
204N90.1Very high88.8Confident35 Ų3576.7 Ų76.719%0.18738%0.377CS..Hα-helixtrans-64.2-38.9174.5-84.7-56.1000112.7R196 L199 P200 R201 Q208R196-N204 WeakPolarHBondContact CB-OD1 3.39Å; R196-N204 PolarHBondContact NE-OD1 3.27Å; R196-N204 PolarHBondContact NH2-O 3.02Å; R196-N204 PolarHBondContact O-ND2 3.39Å; R196-N204 PolarHBondContact O-OD1 3.21Å; L199-N204 PolarHBondContact O-ND2 2.89Å; P200-N204 PolarHBondContact O-N 3.5Å; R201-N204 WeakPolarHBondContact O-CB 3.43Å; R201-N204 PolarHBondContact O-N 3.45Å; R201-N204 VanDerWaalsContact O-N 3.1Å; N204-Q208 WeakPolarHBondContact O-CB 3.35Å; N204-Q208 PolarHBondContact O-N 3.14Å
205E91.2Very high88.9Confident99 Ų9975.8 Ų75.846%0.46336%0.358SS..Hα-helixtrans-67.1-41.7173.8-71.2172.9174.700111R201 W202 I203 Q208 G209R201-E205 HydrophobicContact CG-CG 4.48Å; R201-E205 IonicContact CZ-OE1 3.31Å; R201-E205 VanDerWaalsContact CZ-OE1 3.31Å; R201-E205 IonicContact NE-OE1 2.75Å; R201-E205 PolarHBondContact NE-OE1 3.04Å; R201-E205 IonicContact NH2-OE1 3.22Å; R201-E205 PolarHBondContact NH2-OE1 3.33Å; R201-E205 PolarHBondContact O-N 2.9Å; W202-E205 PolarHBondContact O-N 2.97Å; I203-E205 VanDerWaalsContact C-N 3.34Å; E205-Q208 CarbonylContact O-C 3.59Å; E205-Q208 WeakPolarHBondContact O-CA 3.18Å; E205-Q208 WeakPolarHBondContact O-CB 3.06Å; E205-Q208 PolarHBondContact O-N 3.44Å; E205-Q208 VanDerWaalsContact O-N 3.1Å; E205-G209 PolarHBondContact O-N 3.11Å
206Y91.2Very high89Confident81 Ų8175.2 Ų75.232%0.31836%0.355SS..Hα-helixtrans-56.2-54.2172.9175.5-93.3000111.5T179 N183 W202 I203 Q208 G209 T210T179-Y206 HydrophobicContact CG2-CE2 4.4Å; N183-Y206 VanDerWaalsContact ND2-CE2 3.28Å; N183-Y206 WeakPolarHBondContact ND2-CE2 3.46Å; N183-Y206 VanDerWaalsContact ND2-CZ 3.31Å; N183-Y206 PolarHBondContact ND2-OH 3.28Å; N183-Y206 PolarHBondContact OD1-OH 3.06Å; W202-Y206 WeakPolarHBondContact O-CB 3.43Å; W202-Y206 PolarHBondContact O-N 3.27Å; I203-Y206 WeakPolarHBondContact O-CB 3.26Å; I203-Y206 PolarHBondContact O-N 2.84Å; Y206-Q208 PolarHBondContact O-N 3.15Å; Y206-G209 CarbonylContact O-C 3.58Å; Y206-G209 WeakPolarHBondContact O-CA 3.2Å; Y206-G209 PolarHBondContact O-N 3.08Å; Y206-T210 HydrophobicContact CD1-CG2 4.14Å; Y206-T210 HydrophobicContact CE1-CG2 3.74Å; Y206-T210 WeakPolarHBondContact O-CG2 3.3Å; Y206-T210 PolarHBondContact O-N 3.17Å
207F88.4Confident89.3Confident32 Ų3272.9 Ų72.914%0.1435%0.346CS..Hα-helixtrans-65.4-19.5176.5-77.1-61.3000113.8P191 L199 I203 T210P191-F207 VanDerWaalsContact CD-CE1 3.47Å; P191-F207 HydrophobicContact CG-CD1 4.42Å; P191-F207 HydrophobicContact CG-CD2 3.93Å; P191-F207 HydrophobicContact CG-CE1 4Å; P191-F207 HydrophobicContact CG-CE2 3.45Å; P191-F207 VanDerWaalsContact CG-CE2 3.45Å; P191-F207 HydrophobicContact CG-CG 4.4Å; P191-F207 HydrophobicContact CG-CZ 3.49Å; P191-F207 VanDerWaalsContact CG-CZ 3.49Å; L199-F207 HydrophobicContact CD1-CE2 4.21Å; I203-F207 HydrophobicContact CG2-CD2 3.61Å; I203-F207 HydrophobicContact CG2-CE2 3.39Å; I203-F207 WeakPolarHBondContact O-CD2 3.49Å; I203-F207 PolarHBondContact O-N 3.47Å; F207-T210 PolarHBondContact O-OG1 3.07Å; F207-T210 VanDerWaalsContact O-OG1 3.11Å
208Q87Confident89.4Confident66 Ų6670.1 Ų70.131%0.30833%0.334SS..Hα-helixtrans-77.1-36.5170-175.267.53.400110.9N204 E205 Y206 K211N204-Q208 WeakPolarHBondContact O-CB 3.35Å; N204-Q208 PolarHBondContact O-N 3.14Å; E205-Q208 CarbonylContact O-C 3.59Å; E205-Q208 WeakPolarHBondContact O-CA 3.18Å; E205-Q208 WeakPolarHBondContact O-CB 3.06Å; E205-Q208 PolarHBondContact O-N 3.44Å; E205-Q208 VanDerWaalsContact O-N 3.1Å; Y206-Q208 PolarHBondContact O-N 3.15Å; Q208-K211 WeakPolarHBondContact O-CB 3.4Å; Q208-K211 PolarHBondContact O-N 3.43Å
209G87.6Confident89.3Confident37 Ų3765.2 Ų65.238%0.38130%0.304SS..Hα-helixtrans-66.2-38.7173.900000113.4E205 Y206 K211 Y212E205-G209 PolarHBondContact O-N 3.11Å; Y206-G209 CarbonylContact O-C 3.58Å; Y206-G209 WeakPolarHBondContact O-CA 3.2Å; Y206-G209 PolarHBondContact O-N 3.08Å; G209-K211 PolarHBondContact O-N 2.89Å; G209-Y212 WeakPolarHBondContact O-CB 3.4Å; G209-Y212 PolarHBondContact O-N 2.9Å
210T86.8Confident89.1Confident11 Ų1163.4 Ų63.47%0.06730%0.295CS..THydrogen-bonded Turntrans-63.3-14.2178.362.30000114N183 Y206 F207 Y212 K213N183-T210 HydrophobicContact CB-CG2 4.31Å; Y206-T210 HydrophobicContact CD1-CG2 4.14Å; Y206-T210 HydrophobicContact CE1-CG2 3.74Å; Y206-T210 WeakPolarHBondContact O-CG2 3.3Å; Y206-T210 PolarHBondContact O-N 3.17Å; F207-T210 PolarHBondContact O-OG1 3.07Å; F207-T210 VanDerWaalsContact O-OG1 3.11Å; T210-Y212 PolarHBondContact O-N 2.85Å; T210-K213 WeakPolarHBondContact O-CE 3.47Å
211K84.9Confident88.8Confident80 Ų8065.6 Ų65.635%0.34830%0.299SS..THydrogen-bonded Turntrans-71.2-18.5172.4-62.6-179.8178.51740113.3Q208 G209 K280Q208-K211 WeakPolarHBondContact O-CB 3.4Å; Q208-K211 PolarHBondContact O-N 3.43Å; G209-K211 PolarHBondContact O-N 2.89Å; K211-K280 HydrophobicContact CB-CG 4.36Å; K211-K280 WeakPolarHBondContact O-CA 3.36Å
212Y87.9Confident88.4Confident69 Ų6957.6 Ų57.627%0.27128%0.275SS..  trans-87.9134.8-180-71.7-96.9000110.9G209 T210 L278 A279 K280G209-Y212 WeakPolarHBondContact O-CB 3.4Å; G209-Y212 PolarHBondContact O-N 2.9Å; T210-Y212 PolarHBondContact O-N 2.85Å; Y212-L278 HydrophobicContact CD1-CG 4.11Å; Y212-L278 HydrophobicContact CG-CG 4.29Å; Y212-A279 WeakPolarHBondContact CA-O 3.48Å; Y212-K280 HydrophobicContact CD1-CG 4.1Å; Y212-K280 HydrophobicContact CD2-CG 4.29Å; Y212-K280 HydrophobicContact CE1-CG 3.97Å; Y212-K280 HydrophobicContact CE2-CD 4.49Å; Y212-K280 VanDerWaalsContact CE2-CE 3.5Å; Y212-K280 HydrophobicContact CE2-CG 4.16Å; Y212-K280 HydrophobicContact CG-CG 4.26Å; Y212-K280 VanDerWaalsContact CZ-CE 3.42Å; Y212-K280 VanDerWaalsContact OH-CE 3.31Å; Y212-K280 WeakPolarHBondContact OH-CE 3.2Å
213K86.8Confident88.1Confident28 Ų2850 Ų5012%0.12225%0.246CC..EExtended strand (participates in β ladder)trans-131157.6-177.3-58.2-66176.9177.20110.8N183 F184 M186 T210 Y215 L278 A279N183-K213 PolarHBondContact O-NZ 3.45Å; F184-K213 WeakPolarHBondContact O-CD 3.24Å; M186-K213 PolarHBondContact O-NZ 3.22Å; T210-K213 WeakPolarHBondContact O-CE 3.47Å; K213-Y215 HydrophobicContact CB-CE1 4.46Å; K213-Y215 HydrophobicContact CB-CE2 3.8Å; K213-L278 WeakPolarHBondContact O-CA 3.49Å; K213-A279 PolarHBondContact N-O 2.81Å; K213-A279 PolarHBondContact O-N 2.95Å
214L87.9Confident88Confident76 Ų7651.1 Ų51.140%0.39825%0.253SS..EExtended strand (participates in β ladder)trans-82.7125.7176.9-70.4170.6000110F184 L244 V276 V277 L278F184-L214 HydrophobicContact CB-CD1 4.15Å; F184-L214 HydrophobicContact CB-CG 4.32Å; F184-L214 HydrophobicContact CD2-CD1 3.79Å; F184-L214 HydrophobicContact CD2-CG 4.16Å; F184-L214 HydrophobicContact CE2-CD1 4.47Å; F184-L214 HydrophobicContact CG-CD1 4.16Å; F184-L214 HydrophobicContact CG-CG 4.2Å; L214-L244 HydrophobicContact CD2-CD1 3.6Å; L214-V276 HydrophobicContact CD2-CG1 4.15Å; L214-V277 WeakPolarHBondContact CA-O 3.26Å; L214-L278 HydrophobicContact CD2-CD1 4.48Å
215Y87.1Confident88.1Confident53 Ų5351.5 Ų51.521%0.20827%0.265CS..EExtended strand (participates in β ladder)trans-128.5142.9176.6-64.6-64.5000110.8K213 V276 V277 A279 L282K213-Y215 HydrophobicContact CB-CE1 4.46Å; K213-Y215 HydrophobicContact CB-CE2 3.8Å; Y215-V276 CarbonylContact O-C 3.49Å; Y215-V276 WeakPolarHBondContact O-CA 3.24Å; Y215-V277 PolarHBondContact N-O 3.07Å; Y215-V277 PolarHBondContact O-N 3.07Å; Y215-A279 HydrophobicContact CD2-CB 4.15Å; Y215-A279 WeakPolarHBondContact CE2-O 3.33Å; Y215-L282 HydrophobicContact CD1-CB 3.74Å; Y215-L282 HydrophobicContact CD1-CD1 3.71Å; Y215-L282 HydrophobicContact CD1-CD2 4.46Å; Y215-L282 HydrophobicContact CD1-CG 4.16Å; Y215-L282 HydrophobicContact CD2-CB 4.47Å; Y215-L282 HydrophobicContact CE1-CB 3.71Å; Y215-L282 HydrophobicContact CE2-CB 4.43Å; Y215-L282 HydrophobicContact CG-CB 4.12Å; Y215-L282 HydrophobicContact CG-CD1 3.83Å
216T88.4Confident88.1Confident56 Ų5648.8 Ų48.834%0.34425%0.253SS..EExtended strand (participates in β ladder)trans-98.5119.2169.6-60.70000109.1R274 A275T216-R274 HydrophobicContact CG2-CB 3.69Å; T216-R274 HydrophobicContact CG2-CG 4.4Å; T216-A275 CarbonylContact C-O 3.57Å; T216-A275 WeakPolarHBondContact CA-O 3.21Å
217V88.3Confident88.2Confident0 Ų047.1 Ų47.10%025%0.249CC..EExtended strand (participates in β ladder)trans-124.1146.6-173.3-59.70000111.8R274 A275 V277 L282 A285 Q286 I289V217-R274 WeakPolarHBondContact O-CA 3.41Å; V217-R274 WeakPolarHBondContact O-CB 3.49Å; V217-A275 HydrophobicContact CG2-CB 4.11Å; V217-A275 PolarHBondContact N-O 2.9Å; V217-A275 PolarHBondContact O-N 3.35Å; V217-V277 HydrophobicContact CG1-CG2 4.05Å; V217-V277 HydrophobicContact CG2-CG1 3.9Å; V217-V277 HydrophobicContact CG2-CG2 4.01Å; V217-L282 HydrophobicContact CG1-CD1 4.06Å; V217-A285 HydrophobicContact CG1-CB 4.11Å; V217-Q286 HydrophobicContact CB-CG 4.09Å; V217-Q286 HydrophobicContact CG1-CG 3.77Å; V217-I289 HydrophobicContact CG2-CB 4.46Å; V217-I289 HydrophobicContact CG2-CD1 3.59Å; V217-I289 HydrophobicContact CG2-CG2 4.21Å
218K89.2Confident88.3Confident130 Ų13045.7 Ų45.757%0.56524%0.243SC*.EExtended strand (participates in β ladder)trans-73136.1172.1-67-175.5179.2-178.30109.4I289K218-I289 WeakPolarHBondContact O-CG2 3.29Å
219L87.8Confident88.5Confident11 Ų1147.4 Ų47.46%0.05825%0.25CS..PPolyproline II helixtrans-83.6143.2176.7-68.2168.2000110.4F223 L231 I268 T270 A275 I289L219-F223 HydrophobicContact CD2-CD2 4.33Å; L219-L231 HydrophobicContact CD1-CD2 4.36Å; L219-L231 HydrophobicContact CD2-CD2 3.66Å; L219-I268 HydrophobicContact CD1-CD1 4.26Å; L219-I268 HydrophobicContact CD1-CG2 3.63Å; L219-T270 HydrophobicContact CB-CG2 3.63Å; L219-A275 HydrophobicContact CD1-CB 4.3Å; L219-A275 HydrophobicContact CD2-CB 3.65Å; L219-A275 HydrophobicContact CG-CB 4.05Å; L219-I289 HydrophobicContact CD2-CG2 3.63Å
220S87.2Confident88.6Confident8 Ų851.1 Ų51.16%0.05626%0.258CS..PPolyproline II helixtrans-67.6144169.3-173.70000111.3A222 F223 T270 I289 K290S220-A222 PolarHBondContact O-N 2.87Å; S220-A222 PolarHBondContact OG-N 2.79Å; S220-F223 PolarHBondContact O-N 2.79Å; S220-T270 WeakPolarHBondContact O-CG2 3.47Å; S220-I289 WeakPolarHBondContact CB-O 3.5Å; S220-I289 PolarHBondContact N-O 2.66Å; S220-K290 VanDerWaalsContact CB-O 3.24Å; S220-K290 WeakPolarHBondContact CB-O 3.48Å; S220-K290 PolarHBondContact OG-O 3.15Å; S220-K290 VanDerWaalsContact OG-O 3.08Å
221H87.1Confident88.8Confident111 Ų11150.6 Ų50.651%0.51426%0.255SS..G310 helixtrans-56.2-21172-66.5-65.3000113.2F223 D224 T270 Y271H221-F223 PolarHBondContact O-N 2.87Å; H221-F223 VanDerWaalsContact O-N 3.11Å; H221-D224 IonicContact ND1-OD2 3.74Å; H221-D224 PolarHBondContact ND1-OD2 2.77Å; H221-D224 WeakPolarHBondContact O-CB 3.09Å; H221-D224 PolarHBondContact O-N 2.65Å; H221-D224 VanDerWaalsContact O-N 3.09Å; H221-T270 PolarHBondContact ND1-OG1 3.2Å; H221-Y271 AromaticContact CE1-CE1 3.68Å; H221-Y271 AromaticContact CE1-CZ 3.61Å; H221-Y271 AromaticContact ND1-CE2 3.91Å; H221-Y271 AromaticContact ND1-CZ 3.76Å
222A85.5Confident89.1Confident28 Ų2848.5 Ų48.523%0.23125%0.248CC..G310 helixtrans-57.3-23.8172.900000113.8S220 L293S220-A222 PolarHBondContact O-N 2.87Å; S220-A222 PolarHBondContact OG-N 2.79Å; A222-L293 HydrophobicContact CB-CD2 3.62Å; A222-L293 HydrophobicContact CB-CG 3.98Å
223F88Confident89.1Confident5 Ų547 Ų472%0.02225%0.254CS..G310 helixtrans-95.4-0-178.2-55.3-47.9000113.3L219 S220 H221 G225 M226 L231 L234 I268 I289 S292L219-F223 HydrophobicContact CD2-CD2 4.33Å; S220-F223 PolarHBondContact O-N 2.79Å; H221-F223 PolarHBondContact O-N 2.87Å; H221-F223 VanDerWaalsContact O-N 3.11Å; F223-G225 PolarHBondContact O-N 2.87Å; F223-M226 HydrophobicContact CD1-CE 4.15Å; F223-M226 HydrophobicContact CD1-SD 4.35Å; F223-M226 VanDerWaalsContact O-CB 3.24Å; F223-M226 WeakPolarHBondContact O-CB 3.17Å; F223-M226 PolarHBondContact O-N 3.34Å; F223-M226 VanDerWaalsContact O-N 3.13Å; F223-L231 HydrophobicContact CB-CD1 4.1Å; F223-L231 HydrophobicContact CD1-CD1 3.5Å; F223-L231 HydrophobicContact CD2-CD1 3.57Å; F223-L231 HydrophobicContact CE1-CD1 3.62Å; F223-L231 HydrophobicContact CE2-CD1 3.66Å; F223-L231 HydrophobicContact CG-CD1 3.46Å; F223-L231 VanDerWaalsContact CG-CD1 3.46Å; F223-L231 HydrophobicContact CZ-CD1 3.67Å; F223-L234 HydrophobicContact CE1-CD1 4.41Å; F223-I268 HydrophobicContact CB-CG2 4.26Å; F223-I268 WeakPolarHBondContact O-CB 3.4Å; F223-I268 WeakPolarHBondContact O-CG2 3.35Å; F223-I289 HydrophobicContact CE2-CG2 4.26Å; F223-I289 VanDerWaalsContact CE2-O 3.24Å; F223-I289 WeakPolarHBondContact CE2-O 3.32Å; F223-S292 VanDerWaalsContact CE2-OG 3.29Å; F223-S292 WeakPolarHBondContact CE2-OG 3.35Å; F223-S292 VanDerWaalsContact CZ-CB 3.42Å; F223-S292 WeakPolarHBondContact CZ-OG 3.32Å
224D90.7Very high89.2Confident57 Ų5747.4 Ų47.431%0.30526%0.257SS..THydrogen-bonded Turntrans-59.4130.5179.6-84.3-30.9000111.6H221 M226 T270H221-D224 IonicContact ND1-OD2 3.74Å; H221-D224 PolarHBondContact ND1-OD2 2.77Å; H221-D224 WeakPolarHBondContact O-CB 3.09Å; H221-D224 PolarHBondContact O-N 2.65Å; H221-D224 VanDerWaalsContact O-N 3.09Å; D224-M226 PolarHBondContact O-N 3.23Å; D224-T270 WeakPolarHBondContact OD1-CB 3.48Å; D224-T270 WeakPolarHBondContact OD1-CG2 3.48Å; D224-T270 PolarHBondContact OD1-N 3.19Å; D224-T270 PolarHBondContact OD1-OG1 3.4Å; D224-T270 PolarHBondContact OD2-OG1 3.08Å
225G91.5Very high89.2Confident44 Ų4443.9 Ų43.945%0.45424%0.239SC..THydrogen-bonded Turntrans79.6-11.1-179.100000115.2F223 I268F223-G225 PolarHBondContact O-N 2.87Å; G225-I268 PolarHBondContact N-O 2.91Å
226M91.4Very high89.2Confident41 Ų4146 Ų4620%0.20225%0.252CS..  trans-66.4149.4176.7-169.3178.4-68.200111.2F223 D224 Q230 L231 L234 R267 I268F223-M226 HydrophobicContact CD1-CE 4.15Å; F223-M226 HydrophobicContact CD1-SD 4.35Å; F223-M226 VanDerWaalsContact O-CB 3.24Å; F223-M226 WeakPolarHBondContact O-CB 3.17Å; F223-M226 PolarHBondContact O-N 3.34Å; F223-M226 VanDerWaalsContact O-N 3.13Å; D224-M226 PolarHBondContact O-N 3.23Å; M226-Q230 HydrophobicContact CG-CB 3.59Å; M226-Q230 HydrophobicContact CG-CG 4.46Å; M226-Q230 HydrophobicContact SD-CB 3.77Å; M226-L231 HydrophobicContact SD-CB 4.13Å; M226-L234 HydrophobicContact CE-CD1 3.62Å; M226-L234 HydrophobicContact SD-CD1 3.63Å; M226-R267 WeakPolarHBondContact O-CA 3.12Å; M226-I268 WeakPolarHBondContact O-CG1 3.35Å; M226-I268 PolarHBondContact O-N 3.42Å
227M92.4Very high89.1Confident46 Ų4650.4 Ų50.423%0.22727%0.269CS..BIsolated β-bridgetrans-72.9142.1173-53.3-52.5-66.800110.2Q229 Q230 L231 V264 R267M227-Q229 PolarHBondContact O-N 3.21Å; M227-Q229 VanDerWaalsContact O-N 3.14Å; M227-Q230 HydrophobicContact CB-CG 4.15Å; M227-Q230 WeakPolarHBondContact O-CB 3.43Å; M227-Q230 PolarHBondContact O-N 3.3Å; M227-L231 PolarHBondContact O-N 2.94Å; M227-L231 VanDerWaalsContact O-N 3.12Å; M227-V264 WeakPolarHBondContact CE-O 3.01Å; M227-R267 HydrophobicContact CE-CG 4.11Å; M227-R267 HydrophobicContact SD-CG 3.43Å; M227-R267 WeakPolarHBondContact SD-CG 3.26Å
228F92Very high88.7Confident3 Ų354.1 Ų54.11%0.01329%0.285CS..Hα-helixtrans-51.3-41.9179.9175.9-98.9000112.7Q230 L231 V232 L243 V246 P262 V266 I268F228-Q230 PolarHBondContact O-N 3.07Å; F228-L231 WeakPolarHBondContact O-CB 3.45Å; F228-L231 PolarHBondContact O-N 3.47Å; F228-V232 HydrophobicContact CD1-CG2 3.8Å; F228-V232 HydrophobicContact CD2-CG2 4.47Å; F228-V232 HydrophobicContact CE1-CG2 3.31Å; F228-V232 HydrophobicContact CE2-CG2 4.07Å; F228-V232 HydrophobicContact CG-CG2 4.35Å; F228-V232 HydrophobicContact CZ-CG2 3.47Å; F228-V232 VanDerWaalsContact CZ-CG2 3.47Å; F228-V232 VanDerWaalsContact O-CG2 3.27Å; F228-V232 WeakPolarHBondContact O-CG2 3.21Å; F228-V232 PolarHBondContact O-N 2.83Å; F228-L243 HydrophobicContact CE2-CB 4.26Å; F228-L243 HydrophobicContact CE2-CD2 4.48Å; F228-L243 HydrophobicContact CZ-CB 4.17Å; F228-V246 HydrophobicContact CD2-CG1 3.61Å; F228-V246 HydrophobicContact CE2-CG1 3.69Å; F228-P262 HydrophobicContact CB-CB 4.48Å; F228-P262 HydrophobicContact CD1-CB 4.24Å; F228-P262 HydrophobicContact CD1-CG 4.17Å; F228-P262 HydrophobicContact CD2-CG 4.11Å; F228-P262 HydrophobicContact CE1-CG 4.28Å; F228-P262 HydrophobicContact CE2-CG 4.21Å; F228-P262 HydrophobicContact CG-CB 4.2Å; F228-P262 HydrophobicContact CG-CG 4.09Å; F228-P262 HydrophobicContact CZ-CG 4.3Å; F228-V266 HydrophobicContact CB-CB 4.48Å; F228-V266 PolarHBondContact N-O 3.13Å; F228-I268 HydrophobicContact CB-CD1 4.41Å; F228-I268 HydrophobicContact CD2-CD1 4.15Å
229Q90.7Very high88.3Confident101 Ų10148.8 Ų48.847%0.47226%0.264SS..Hα-helixtrans-64.7-37.5178.2-71.4-171.2-2200114.3M227 L231 V232 G233M227-Q229 PolarHBondContact O-N 3.21Å; M227-Q229 VanDerWaalsContact O-N 3.14Å; Q229-L231 VanDerWaalsContact C-N 3.28Å; Q229-L231 PolarHBondContact O-N 3.36Å; Q229-V232 PolarHBondContact O-N 2.63Å; Q229-G233 PolarHBondContact O-N 3.03Å
230Q90.1Very high88.1Confident115 Ų11550.6 Ų50.654%0.53729%0.285SS..Hα-helixtrans-63.3-42.5175.2-66171.4-4700109.5M226 M227 F228 G233 L234M226-Q230 HydrophobicContact CG-CB 3.59Å; M226-Q230 HydrophobicContact CG-CG 4.46Å; M226-Q230 HydrophobicContact SD-CB 3.77Å; M227-Q230 HydrophobicContact CB-CG 4.15Å; M227-Q230 WeakPolarHBondContact O-CB 3.43Å; M227-Q230 PolarHBondContact O-N 3.3Å; F228-Q230 PolarHBondContact O-N 3.07Å; Q230-G233 PolarHBondContact O-N 3.19Å; Q230-L234 WeakPolarHBondContact O-CG 3.36Å; Q230-L234 PolarHBondContact O-N 3.4Å
231L89.7Confident88.2Confident1 Ų150.5 Ų50.51%0.00528%0.284CS..Hα-helixtrans-64-41.1175.9179.961.8000112.3L219 F223 M226 M227 F228 Q229 G233 L234 A235 L243 I268L219-L231 HydrophobicContact CD1-CD2 4.36Å; L219-L231 HydrophobicContact CD2-CD2 3.66Å; F223-L231 HydrophobicContact CB-CD1 4.1Å; F223-L231 HydrophobicContact CD1-CD1 3.5Å; F223-L231 HydrophobicContact CD2-CD1 3.57Å; F223-L231 HydrophobicContact CE1-CD1 3.62Å; F223-L231 HydrophobicContact CE2-CD1 3.66Å; F223-L231 HydrophobicContact CG-CD1 3.46Å; F223-L231 VanDerWaalsContact CG-CD1 3.46Å; F223-L231 HydrophobicContact CZ-CD1 3.67Å; M226-L231 HydrophobicContact SD-CB 4.13Å; M227-L231 PolarHBondContact O-N 2.94Å; M227-L231 VanDerWaalsContact O-N 3.12Å; F228-L231 WeakPolarHBondContact O-CB 3.45Å; F228-L231 PolarHBondContact O-N 3.47Å; Q229-L231 VanDerWaalsContact C-N 3.28Å; Q229-L231 PolarHBondContact O-N 3.36Å; L231-G233 VanDerWaalsContact C-N 3.32Å; L231-G233 PolarHBondContact O-N 3.29Å; L231-L234 PolarHBondContact O-N 3.4Å; L231-A235 WeakPolarHBondContact O-CB 3.33Å; L231-A235 PolarHBondContact O-N 3.18Å; L231-L243 HydrophobicContact CB-CD2 4.42Å; L231-L243 HydrophobicContact CD1-CD2 4.43Å; L231-L243 HydrophobicContact CD2-CD2 3.6Å; L231-L243 HydrophobicContact CG-CD2 3.48Å; L231-L243 VanDerWaalsContact CG-CD2 3.48Å; L231-I268 HydrophobicContact CD2-CD1 3.85Å; L231-I268 HydrophobicContact CD2-CG1 3.82Å
232V90.9Very high88.4Confident35 Ų3547.9 Ų47.921%0.21227%0.273CS..Hα-helixtrans-58.1-46174.4172.70000110.7F228 Q229 A235 M236 L243F228-V232 HydrophobicContact CD1-CG2 3.8Å; F228-V232 HydrophobicContact CD2-CG2 4.47Å; F228-V232 HydrophobicContact CE1-CG2 3.31Å; F228-V232 HydrophobicContact CE2-CG2 4.07Å; F228-V232 HydrophobicContact CG-CG2 4.35Å; F228-V232 HydrophobicContact CZ-CG2 3.47Å; F228-V232 VanDerWaalsContact CZ-CG2 3.47Å; F228-V232 VanDerWaalsContact O-CG2 3.27Å; F228-V232 WeakPolarHBondContact O-CG2 3.21Å; F228-V232 PolarHBondContact O-N 2.83Å; Q229-V232 PolarHBondContact O-N 2.63Å; V232-A235 PolarHBondContact O-N 3.15Å; V232-M236 WeakPolarHBondContact O-CB 3.48Å; V232-M236 PolarHBondContact O-N 3.45Å; V232-L243 HydrophobicContact CG2-CB 3.8Å
233G89Confident88.6Confident37 Ų3746.8 Ų46.838%0.38126%0.264SS..Hα-helixtrans-59.6-52.5177.400000112.1Q229 Q230 L231 A235 M236 E237Q229-G233 PolarHBondContact O-N 3.03Å; Q230-G233 PolarHBondContact O-N 3.19Å; L231-G233 VanDerWaalsContact C-N 3.32Å; L231-G233 PolarHBondContact O-N 3.29Å; G233-A235 VanDerWaalsContact C-N 3.34Å; G233-A235 PolarHBondContact O-N 3.47Å; G233-M236 PolarHBondContact O-N 2.89Å; G233-E237 WeakPolarHBondContact O-CB 3.47Å; G233-E237 PolarHBondContact O-N 3.21Å
234L88.1Confident88.8Confident38 Ų3849.2 Ų49.220%0.19928%0.277CS..Hα-helixtrans-61.2-41.1179.1-68.1177.1000112.5F223 M226 Q230 L231 F238F223-L234 HydrophobicContact CE1-CD1 4.41Å; M226-L234 HydrophobicContact CE-CD1 3.62Å; M226-L234 HydrophobicContact SD-CD1 3.63Å; Q230-L234 WeakPolarHBondContact O-CG 3.36Å; Q230-L234 PolarHBondContact O-N 3.4Å; L231-L234 PolarHBondContact O-N 3.4Å; L234-F238 HydrophobicContact CB-CD2 4.35Å; L234-F238 HydrophobicContact CD2-CD2 3.86Å; L234-F238 HydrophobicContact CD2-CE2 3.57Å; L234-F238 WeakPolarHBondContact O-CB 3.45Å; L234-F238 WeakPolarHBondContact O-CD2 3.31Å; L234-F238 PolarHBondContact O-N 3.08Å
235A87.4Confident89Confident1 Ų146.7 Ų46.71%0.00826%0.263CS..Iπ-helixtrans-68.4-38.1179.700000112.1L231 V232 G233 C239 G240 V241 L243L231-A235 WeakPolarHBondContact O-CB 3.33Å; L231-A235 PolarHBondContact O-N 3.18Å; V232-A235 PolarHBondContact O-N 3.15Å; G233-A235 VanDerWaalsContact C-N 3.34Å; G233-A235 PolarHBondContact O-N 3.47Å; A235-C239 CarbonylContact O-C 3.41Å; A235-C239 VanDerWaalsContact O-CA 3.31Å; A235-C239 WeakPolarHBondContact O-CA 3.5Å; A235-C239 WeakPolarHBondContact O-CB 3.48Å; A235-C239 PolarHBondContact O-N 3.23Å; A235-G240 PolarHBondContact O-N 3.42Å; A235-V241 CarbonylContact C-O 3.35Å; A235-V241 HydrophobicContact CB-CG2 4Å; A235-V241 PolarHBondContact O-N 3.12Å; A235-L243 HydrophobicContact CB-CD1 3.29Å; A235-L243 HydrophobicContact CB-CD2 4.27Å; A235-L243 HydrophobicContact CB-CG 4.38Å
236M87.2Confident89Confident99 Ų9944.6 Ų44.649%0.48824%0.242SC..Iπ-helixtrans-68.1-46.9174.8-174.366.891.500111.1V232 G233 G240 V241 L242V232-M236 WeakPolarHBondContact O-CB 3.48Å; V232-M236 PolarHBondContact O-N 3.45Å; G233-M236 PolarHBondContact O-N 2.89Å; M236-G240 WeakPolarHBondContact O-CA 3.47Å; M236-G240 PolarHBondContact O-N 3.24Å; M236-V241 PolarHBondContact N-O 2.97Å; M236-L242 HydrophobicContact CE-CB 4.02Å; M236-L242 HydrophobicContact CE-CD1 3.7Å; M236-L242 HydrophobicContact CE-CG 4.35Å
237E86.1Confident89Confident148 Ų14844.1 Ų44.169%0.69224%0.239SC*.Iπ-helixtrans-68.2-49.4-174.7-175.8174-171.200112.7G233G233-E237 WeakPolarHBondContact O-CB 3.47Å; G233-E237 PolarHBondContact O-N 3.21Å
238F81.7Confident88.8Confident77 Ų7744 Ų4434%0.33824%0.238SC..Iπ-helixtrans-97.8-25-172.1-63.9-74000113.8L234L234-F238 HydrophobicContact CB-CD2 4.35Å; L234-F238 HydrophobicContact CD2-CD2 3.86Å; L234-F238 HydrophobicContact CD2-CE2 3.57Å; L234-F238 WeakPolarHBondContact O-CB 3.45Å; L234-F238 WeakPolarHBondContact O-CD2 3.31Å; L234-F238 PolarHBondContact O-N 3.08Å
239C80.1Confident88.2Confident18 Ų1846.6 Ų46.612%0.12225%0.248CC..Iπ-helixtrans-111.3-15-172.4-49.10000112.8A235 V241 Y288A235-C239 CarbonylContact O-C 3.41Å; A235-C239 VanDerWaalsContact O-CA 3.31Å; A235-C239 WeakPolarHBondContact O-CA 3.5Å; A235-C239 WeakPolarHBondContact O-CB 3.48Å; A235-C239 PolarHBondContact O-N 3.23Å; C239-V241 HydrophobicContact CB-CG2 3.85Å; C239-V241 PolarHBondContact O-N 2.91Å; C239-Y288 HydrophobicContact CB-CD2 4.41Å; C239-Y288 HydrophobicContact CB-CG 3.97Å
240G83.6Confident87.4Confident49 Ų4942.9 Ų42.951%0.50523%0.232SC..  trans62.423.8-175.900000113.7A235 M236A235-G240 PolarHBondContact O-N 3.42Å; M236-G240 WeakPolarHBondContact O-CA 3.47Å; M236-G240 PolarHBondContact O-N 3.24Å
241V88.4Confident86.1Confident6 Ų643.5 Ų43.54%0.03624%0.239CC..  trans-116.1143.7178.6-57.60000110.3A235 M236 C239 L243 A279 A285 I289A235-V241 CarbonylContact C-O 3.35Å; A235-V241 HydrophobicContact CB-CG2 4Å; A235-V241 PolarHBondContact O-N 3.12Å; M236-V241 PolarHBondContact N-O 2.97Å; C239-V241 HydrophobicContact CB-CG2 3.85Å; C239-V241 PolarHBondContact O-N 2.91Å; V241-L243 HydrophobicContact CG2-CD1 3.99Å; V241-A279 HydrophobicContact CB-CB 4.42Å; V241-A279 HydrophobicContact CG1-CB 3.81Å; V241-A285 HydrophobicContact CG1-CB 4.45Å; V241-I289 HydrophobicContact CG2-CD1 3.9Å; V241-I289 HydrophobicContact CG2-CG1 4.32Å
242L90.9Very high84.9Confident56 Ų5650.8 Ų50.829%0.29328%0.278SS..EExtended strand (participates in β ladder)trans-100.5119.6179.5173.165.1000110M236 L244 V277 L278M236-L242 HydrophobicContact CE-CB 4.02Å; M236-L242 HydrophobicContact CE-CD1 3.7Å; M236-L242 HydrophobicContact CE-CG 4.35Å; L242-L244 HydrophobicContact CD2-CD2 3.73Å; L242-L244 HydrophobicContact CD2-CG 4.43Å; L242-L244 HydrophobicContact CG-CD2 3.86Å; L242-L244 HydrophobicContact CG-CG 4.27Å; L242-V277 CarbonylContact O-C 3.51Å; L242-V277 VanDerWaalsContact O-CA 3.26Å; L242-V277 WeakPolarHBondContact O-CA 3.23Å; L242-L278 HydrophobicContact CB-CB 4.22Å; L242-L278 HydrophobicContact CD2-CD2 4.27Å; L242-L278 PolarHBondContact N-O 2.78Å; L242-L278 PolarHBondContact O-N 3.38Å
243L91.1Very high83.5Confident6 Ų654.5 Ų54.53%0.03130%0.297CS..EExtended strand (participates in β ladder)trans-83.8125.1173.1-8659.8000109.8F228 L231 V232 A235 V241 A275 V277 I289F228-L243 HydrophobicContact CE2-CB 4.26Å; F228-L243 HydrophobicContact CE2-CD2 4.48Å; F228-L243 HydrophobicContact CZ-CB 4.17Å; L231-L243 HydrophobicContact CB-CD2 4.42Å; L231-L243 HydrophobicContact CD1-CD2 4.43Å; L231-L243 HydrophobicContact CD2-CD2 3.6Å; L231-L243 HydrophobicContact CG-CD2 3.48Å; L231-L243 VanDerWaalsContact CG-CD2 3.48Å; V232-L243 HydrophobicContact CG2-CB 3.8Å; A235-L243 HydrophobicContact CB-CD1 3.29Å; A235-L243 HydrophobicContact CB-CD2 4.27Å; A235-L243 HydrophobicContact CB-CG 4.38Å; V241-L243 HydrophobicContact CG2-CD1 3.99Å; L243-A275 HydrophobicContact CD2-CB 4.4Å; L243-A275 HydrophobicContact CG-CB 4.33Å; L243-V277 HydrophobicContact CD1-CB 4.39Å; L243-V277 HydrophobicContact CD1-CG1 3.53Å; L243-V277 HydrophobicContact CG-CG1 3.71Å; L243-I289 HydrophobicContact CD1-CD1 4.13Å
244L92.2Very high82.2Confident56 Ų5661 Ų6129%0.29331%0.314SS..EExtended strand (participates in β ladder)trans-110.6-36.4-176.9-66.8175.6000112.7L214 L242 N261 V276 L278L214-L244 HydrophobicContact CD2-CD1 3.6Å; L242-L244 HydrophobicContact CD2-CD2 3.73Å; L242-L244 HydrophobicContact CD2-CG 4.43Å; L242-L244 HydrophobicContact CG-CD2 3.86Å; L242-L244 HydrophobicContact CG-CG 4.27Å; L244-N261 PolarHBondContact O-N 2.97Å; L244-V276 PolarHBondContact N-O 3.41Å; L244-L278 HydrophobicContact CD1-CB 4.03Å
245A93.6Very high81.4Confident3 Ų363.4 Ų63.43%0.02532%0.323CS..EExtended strand (participates in β ladder)trans-149.4166.8-175.300000111.8M258 I259 I260 V276A245-M258 HydrophobicContact CB-CG 3.89Å; A245-M258 HydrophobicContact CB-SD 4.13Å; A245-I259 VanDerWaalsContact CA-O 3.25Å; A245-I259 WeakPolarHBondContact CA-O 3.34Å; A245-I259 WeakPolarHBondContact CB-O 3.09Å; A245-I260 HydrophobicContact CB-CB 4.45Å; A245-I260 HydrophobicContact CB-CG1 4.22Å; A245-V276 HydrophobicContact CB-CB 3.92Å; A245-V276 HydrophobicContact CB-CG2 4.1Å; A245-V276 PolarHBondContact N-O 3.11Å; A245-V276 PolarHBondContact O-N 3.38Å
246V92.8Very high80.9Confident0 Ų066.6 Ų66.60%034%0.343CS..EExtended strand (participates in β ladder)trans-118.5134164.5-61.60000109.3F228 M258 I259 P262 I268 R274F228-V246 HydrophobicContact CD2-CG1 3.61Å; F228-V246 HydrophobicContact CE2-CG1 3.69Å; V246-M258 WeakPolarHBondContact O-CA 3.39Å; V246-I259 HydrophobicContact CG2-CB 4.22Å; V246-I259 PolarHBondContact N-O 3.07Å; V246-I259 PolarHBondContact O-N 2.79Å; V246-P262 HydrophobicContact CB-CG 4.48Å; V246-P262 HydrophobicContact CG1-CG 4.33Å; V246-P262 HydrophobicContact CG2-CG 3.64Å; V246-I268 HydrophobicContact CG1-CD1 4.11Å; V246-R274 CarbonylContact C-O 3.54Å; V246-R274 WeakPolarHBondContact CA-O 3.27Å
247Q91.8Very high80.8Confident32 Ų3267.1 Ų67.115%0.1534%0.344CS..EExtended strand (participates in β ladder)trans-97.5130.5167.7-175.2-175.53700107.8T256 Q257 M273 R274Q247-T256 HydrophobicContact CG-CG2 4.42Å; Q247-T256 PolarHBondContact NE2-OG1 3.18Å; Q247-Q257 CarbonylContact C-O 3.5Å; Q247-Q257 VanDerWaalsContact CA-O 3.3Å; Q247-Q257 WeakPolarHBondContact CA-O 3.35Å; Q247-M273 CarbonylContact O-C 3.34Å; Q247-M273 VanDerWaalsContact O-CA 3.25Å; Q247-M273 WeakPolarHBondContact O-CA 3.33Å; Q247-R274 HydrophobicContact CB-CB 4.48Å; Q247-R274 PolarHBondContact N-O 3.15Å; Q247-R274 PolarHBondContact O-N 3.44Å
248F87.4Confident80.9Confident43 Ų4364.9 Ų64.919%0.18934%0.335CS..EExtended strand (participates in β ladder)trans-128146.3178.768.1-77.4000111.8T250 T256 Q257 I259 R272 M273F248-T250 HydrophobicContact CD2-CG2 3.68Å; F248-T250 HydrophobicContact CE2-CG2 3.28Å; F248-T250 HydrophobicContact CZ-CG2 4.08Å; F248-T256 WeakPolarHBondContact O-CA 3.3Å; F248-Q257 HydrophobicContact CD1-CB 4.16Å; F248-Q257 VanDerWaalsContact CD1-O 3.31Å; F248-Q257 WeakPolarHBondContact CD1-O 3.48Å; F248-Q257 HydrophobicContact CE1-CB 3.46Å; F248-Q257 VanDerWaalsContact CE1-CB 3.46Å; F248-Q257 HydrophobicContact CE2-CB 4.23Å; F248-Q257 HydrophobicContact CZ-CB 3.53Å; F248-Q257 HydrophobicContact CZ-CG 4.4Å; F248-Q257 PolarHBondContact N-O 2.98Å; F248-Q257 PolarHBondContact O-N 3.21Å; F248-I259 HydrophobicContact CD1-CD1 4.11Å; F248-I259 HydrophobicContact CD1-CG1 4.04Å; F248-I259 HydrophobicContact CE1-CD1 3.59Å; F248-I259 HydrophobicContact CE1-CG1 3.48Å; F248-I259 VanDerWaalsContact CE1-CG1 3.48Å; F248-I259 HydrophobicContact CZ-CD1 4.24Å; F248-I259 HydrophobicContact CZ-CG1 4.44Å; F248-R272 CarbonylContact C-O 3.57Å; F248-R272 VanDerWaalsContact CA-O 3.23Å; F248-R272 WeakPolarHBondContact CA-O 3.34Å; F248-M273 HydrophobicContact CB-CG 3.91Å
249Y79.1Confident81.3Confident57 Ų5764.3 Ų64.322%0.22433%0.334CS..EExtended strand (participates in β ladder)trans-81.1128.6176.5-64-80.1000110.4D253 T256 R272 R274Y249-D253 VanDerWaalsContact CB-OD1 3.32Å; Y249-D253 WeakPolarHBondContact CB-OD1 3.5Å; Y249-T256 HydrophobicContact CD1-CG2 3.55Å; Y249-T256 HydrophobicContact CE1-CG2 3.46Å; Y249-T256 VanDerWaalsContact CE1-CG2 3.46Å; Y249-T256 HydrophobicContact CG-CG2 4.49Å; Y249-R272 VanDerWaalsContact CD2-O 3.3Å; Y249-R272 WeakPolarHBondContact CD2-O 3.31Å; Y249-R272 PolarHBondContact N-O 2.6Å; Y249-R274 HydrophobicContact CE2-CG 4.5Å; Y249-R274 PolarHBondContact OH-NE 3.12Å; Y249-R274 PolarHBondContact OH-NH2 2.88Å
250T73.5Confident81.8Confident24 Ų2469.7 Ų69.715%0.14736%0.361CS..EExtended strand (participates in β ladder)trans-113.5153.5176.157.80000109.5F248 K254 K255 Q257F248-T250 HydrophobicContact CD2-CG2 3.68Å; F248-T250 HydrophobicContact CE2-CG2 3.28Å; F248-T250 HydrophobicContact CZ-CG2 4.08Å; T250-K254 PolarHBondContact O-N 3.39Å; T250-K255 PolarHBondContact N-O 2.78Å; T250-K255 PolarHBondContact O-N 3.42Å; T250-K255 WeakPolarHBondContact OG1-CB 3.3Å; T250-K255 PolarHBondContact OG1-O 3.26Å; T250-Q257 HydrophobicContact CG2-CB 4.33Å; T250-Q257 HydrophobicContact CG2-CG 4.08Å
251N64.3Low82.1Confident128 Ų12873 Ų7368%0.68437%0.367SS*.THydrogen-bonded Turntrans46.681.3174.2-70.3-9.6000114.9D253 K254N251-D253 PolarHBondContact O-N 2.7Å; N251-D253 VanDerWaalsContact O-N 3.16Å; N251-K254 WeakPolarHBondContact O-CB 3.47Å; N251-K254 PolarHBondContact O-N 2.8Å; N251-K254 VanDerWaalsContact O-N 3.1Å
252N63.7Low82.1Confident153 Ų15373.6 Ų73.682%0.81837%0.371SS*.THydrogen-bonded Turntrans47.844.4176.4-66.9-4.3000112.9K254N252-K254 PolarHBondContact O-N 3.36Å; N252-K254 VanDerWaalsContact O-N 3.12Å
253D61Low81.5Confident113 Ų11371.9 Ų71.960%0.60437%0.367SS*.THydrogen-bonded Turntrans61.317.6177.3-54.2-44.9000116.1Y249 N251Y249-D253 VanDerWaalsContact CB-OD1 3.32Å; Y249-D253 WeakPolarHBondContact CB-OD1 3.5Å; N251-D253 PolarHBondContact O-N 2.7Å; N251-D253 VanDerWaalsContact O-N 3.16Å
254K63Low81Confident173 Ų17375.5 Ų75.575%0.75239%0.389SS*.THydrogen-bonded Turntrans-86.7-28.8-178.9-64.4-172179.6-177.10114T250 N251 N252T250-K254 PolarHBondContact O-N 3.39Å; N251-K254 WeakPolarHBondContact O-CB 3.47Å; N251-K254 PolarHBondContact O-N 2.8Å; N251-K254 VanDerWaalsContact O-N 3.1Å; N252-K254 PolarHBondContact O-N 3.36Å; N252-K254 VanDerWaalsContact O-N 3.12Å
255K70Confident80.5Confident89 Ų8983.2 Ų83.239%0.38741%0.414SS..EExtended strand (participates in β ladder)trans-126.5141.9-175.7-73.6-167.5175.1-149.10110.5E150 T250E150-K255 IonicContact OE1-NZ 3.25Å; E150-K255 PolarHBondContact OE1-NZ 3.18Å; E150-K255 WeakPolarHBondContact OE2-CD 3.47Å; E150-K255 VanDerWaalsContact OE2-CE 3.26Å; E150-K255 WeakPolarHBondContact OE2-CE 3.31Å; E150-K255 IonicContact OE2-NZ 3.82Å; E150-K255 PolarHBondContact OE2-NZ 3.36Å; T250-K255 PolarHBondContact N-O 2.78Å; T250-K255 PolarHBondContact O-N 3.42Å; T250-K255 WeakPolarHBondContact OG1-CB 3.3Å; T250-K255 PolarHBondContact OG1-O 3.26Å
256T78Confident80.2Confident69 Ų6984.7 Ų84.742%0.42342%0.422SS..EExtended strand (participates in β ladder)trans-110139.1171.367.40000109.7Q247 F248 Y249Q247-T256 HydrophobicContact CG-CG2 4.42Å; Q247-T256 PolarHBondContact NE2-OG1 3.18Å; F248-T256 WeakPolarHBondContact O-CA 3.3Å; Y249-T256 HydrophobicContact CD1-CG2 3.55Å; Y249-T256 HydrophobicContact CE1-CG2 3.46Å; Y249-T256 VanDerWaalsContact CE1-CG2 3.46Å; Y249-T256 HydrophobicContact CG-CG2 4.49Å
257Q83.9Confident80.2Confident110 Ų11092.8 Ų92.851%0.51445%0.453SS..EExtended strand (participates in β ladder)trans-120.6150.3170.3-73.3-174.3-1700108.8Q247 F248 T250Q247-Q257 CarbonylContact C-O 3.5Å; Q247-Q257 VanDerWaalsContact CA-O 3.3Å; Q247-Q257 WeakPolarHBondContact CA-O 3.35Å; F248-Q257 HydrophobicContact CD1-CB 4.16Å; F248-Q257 VanDerWaalsContact CD1-O 3.31Å; F248-Q257 WeakPolarHBondContact CD1-O 3.48Å; F248-Q257 HydrophobicContact CE1-CB 3.46Å; F248-Q257 VanDerWaalsContact CE1-CB 3.46Å; F248-Q257 HydrophobicContact CE2-CB 4.23Å; F248-Q257 HydrophobicContact CZ-CB 3.53Å; F248-Q257 HydrophobicContact CZ-CG 4.4Å; F248-Q257 PolarHBondContact N-O 2.98Å; F248-Q257 PolarHBondContact O-N 3.21Å; T250-Q257 HydrophobicContact CG2-CB 4.33Å; T250-Q257 HydrophobicContact CG2-CG 4.08Å
258M89.2Confident80.2Confident101 Ų10191.5 Ų91.550%0.49845%0.447SS..EExtended strand (participates in β ladder)trans-117.9131.5179.2-170.8-180-58.100109.6A245 V246 I260 V276A245-M258 HydrophobicContact CB-CG 3.89Å; A245-M258 HydrophobicContact CB-SD 4.13Å; V246-M258 WeakPolarHBondContact O-CA 3.39Å; M258-I260 HydrophobicContact CG-CG1 4.44Å; M258-I260 HydrophobicContact SD-CG1 4.37Å; M258-V276 HydrophobicContact CE-CG2 3.95Å; M258-V276 HydrophobicContact SD-CG2 4.1Å
259I89.9Confident80.4Confident64 Ų6492.4 Ų92.433%0.32845%0.454SS..EExtended strand (participates in β ladder)trans-110.8108.4172.1-49.8-178.8000107.2A245 V246 F248 P262A245-I259 VanDerWaalsContact CA-O 3.25Å; A245-I259 WeakPolarHBondContact CA-O 3.34Å; A245-I259 WeakPolarHBondContact CB-O 3.09Å; V246-I259 HydrophobicContact CG2-CB 4.22Å; V246-I259 PolarHBondContact N-O 3.07Å; V246-I259 PolarHBondContact O-N 2.79Å; F248-I259 HydrophobicContact CD1-CD1 4.11Å; F248-I259 HydrophobicContact CD1-CG1 4.04Å; F248-I259 HydrophobicContact CE1-CD1 3.59Å; F248-I259 HydrophobicContact CE1-CG1 3.48Å; F248-I259 VanDerWaalsContact CE1-CG1 3.48Å; F248-I259 HydrophobicContact CZ-CD1 4.24Å; F248-I259 HydrophobicContact CZ-CG1 4.44Å; I259-P262 HydrophobicContact CB-CG 4.08Å; I259-P262 HydrophobicContact CG2-CB 3.96Å; I259-P262 HydrophobicContact CG2-CG 3.91Å; I259-P262 WeakPolarHBondContact O-CD 3.09Å; I259-P262 WeakPolarHBondContact O-CG 3.45Å
260I91.3Very high80.8Confident132 Ų13290.6 Ų90.668%0.67745%0.449SS*.EExtended strand (participates in β ladder)trans-79.3131.1174.8-56.6174.7000108.3A245 M258A245-I260 HydrophobicContact CB-CB 4.45Å; A245-I260 HydrophobicContact CB-CG1 4.22Å; M258-I260 HydrophobicContact CG-CG1 4.44Å; M258-I260 HydrophobicContact SD-CG1 4.37Å
261N89.8Confident81.5Confident118 Ų11897.6 Ų97.663%0.63147%0.474SS*.SBendtrans43.467.6-174.6-171.220.6000113.8L244 G263L244-N261 PolarHBondContact O-N 2.97Å; N261-G263 PolarHBondContact O-N 3.25Å
262P87.5Confident82.5Confident18 Ų1899.1 Ų99.112%0.11747%0.47CS..  trans-56.9-12.4-176.8-23.732.1000116.5F228 V246 I259 V266F228-P262 HydrophobicContact CB-CB 4.48Å; F228-P262 HydrophobicContact CD1-CB 4.24Å; F228-P262 HydrophobicContact CD1-CG 4.17Å; F228-P262 HydrophobicContact CD2-CG 4.11Å; F228-P262 HydrophobicContact CE1-CG 4.28Å; F228-P262 HydrophobicContact CE2-CG 4.21Å; F228-P262 HydrophobicContact CG-CB 4.2Å; F228-P262 HydrophobicContact CG-CG 4.09Å; F228-P262 HydrophobicContact CZ-CG 4.3Å; V246-P262 HydrophobicContact CB-CG 4.48Å; V246-P262 HydrophobicContact CG1-CG 4.33Å; V246-P262 HydrophobicContact CG2-CG 3.64Å; I259-P262 HydrophobicContact CB-CG 4.08Å; I259-P262 HydrophobicContact CG2-CB 3.96Å; I259-P262 HydrophobicContact CG2-CG 3.91Å; I259-P262 WeakPolarHBondContact O-CD 3.09Å; I259-P262 WeakPolarHBondContact O-CG 3.45Å; P262-V266 HydrophobicContact CB-CB 3.7Å; P262-V266 HydrophobicContact CB-CG1 4.16Å; P262-V266 HydrophobicContact CB-CG2 3.59Å
263G79.4Confident83.9Confident20 Ų2093.3 Ų93.321%0.20644%0.438CS..G310 helixtrans72-161.1177.100000114.5N261 R265N261-G263 PolarHBondContact O-N 3.25Å; G263-R265 VanDerWaalsContact C-N 3.3Å; G263-R265 PolarHBondContact O-N 3.48Å
264V80.1Confident85.3Confident82 Ų8291.7 Ų91.750%0.49742%0.424SS..G310 helixtrans-73.4-14.5-168.7-51.20000114M227M227-V264 WeakPolarHBondContact CE-O 3.01Å
265R80.3Confident86.6Confident219 Ų21983.5 Ų83.583%0.82639%0.388SS*.G310 helixtrans-105.8-13-164.5-62.1-170.2-178.2169.70.3115.2G263 R267G263-R265 VanDerWaalsContact C-N 3.3Å; G263-R265 PolarHBondContact O-N 3.48Å; R265-R267 PolarHBondContact O-N 2.93Å
266V89.1Confident87.7Confident33 Ų3379.7 Ų79.720%0.237%0.372CS..PPolyproline II helixtrans-83.5121.5-177.5175.10000110.1F228 P262 M273F228-V266 HydrophobicContact CB-CB 4.48Å; F228-V266 PolarHBondContact N-O 3.13Å; P262-V266 HydrophobicContact CB-CB 3.7Å; P262-V266 HydrophobicContact CB-CG1 4.16Å; P262-V266 HydrophobicContact CB-CG2 3.59Å; V266-M273 HydrophobicContact CG1-CE 4.39Å
267R92.4Very high88.3Confident171 Ų17176.4 Ų76.465%0.64535%0.352SS*.BIsolated β-bridgetrans-89.4135.6171.4-75.9-174.9176.7-179.7-0.5110.3M226 M227 R265M226-R267 WeakPolarHBondContact O-CA 3.12Å; M227-R267 HydrophobicContact CE-CG 4.11Å; M227-R267 HydrophobicContact SD-CG 3.43Å; M227-R267 WeakPolarHBondContact SD-CG 3.26Å; R265-R267 PolarHBondContact O-N 2.93Å
268I91.6Very high88.7Confident4 Ų472.4 Ų72.42%0.02133%0.334CS..PPolyproline II helixtrans-71.8132.4179.5-62-59.4000110.1L219 F223 G225 M226 F228 L231 V246 T270L219-I268 HydrophobicContact CD1-CD1 4.26Å; L219-I268 HydrophobicContact CD1-CG2 3.63Å; F223-I268 HydrophobicContact CB-CG2 4.26Å; F223-I268 WeakPolarHBondContact O-CB 3.4Å; F223-I268 WeakPolarHBondContact O-CG2 3.35Å; G225-I268 PolarHBondContact N-O 2.91Å; M226-I268 WeakPolarHBondContact O-CG1 3.35Å; M226-I268 PolarHBondContact O-N 3.42Å; F228-I268 HydrophobicContact CB-CD1 4.41Å; F228-I268 HydrophobicContact CD2-CD1 4.15Å; L231-I268 HydrophobicContact CD2-CD1 3.85Å; L231-I268 HydrophobicContact CD2-CG1 3.82Å; V246-I268 HydrophobicContact CG1-CD1 4.11Å; I268-T270 HydrophobicContact CG2-CG2 3.97Å
269N91Very high88.7Confident63 Ų6367.8 Ų67.834%0.33731%0.312SS..  trans-128.8100.7169.1178.7-38.2000108Y271 R272 M273N269-Y271 PolarHBondContact O-N 3.16Å; N269-Y271 WeakPolarHBondContact OD1-CB 3.23Å; N269-Y271 PolarHBondContact OD1-N 3.1Å; N269-R272 PolarHBondContact O-N 3.4Å; N269-R272 VanDerWaalsContact O-N 3.12Å; N269-R272 PolarHBondContact OD1-N 3.2Å; N269-M273 HydrophobicContact CB-CG 4.42Å; N269-M273 HydrophobicContact CB-SD 4.42Å; N269-M273 WeakPolarHBondContact O-CA 3.4Å; N269-M273 WeakPolarHBondContact O-CB 3.34Å; N269-M273 VanDerWaalsContact O-CG 3.25Å; N269-M273 WeakPolarHBondContact O-CG 3.4Å; N269-M273 PolarHBondContact O-N 3.27Å
270T88.2Confident88.4Confident18 Ų1869.2 Ų69.211%0.1132%0.316CS..THydrogen-bonded Turntrans-67.4-23.7-171.564.10000113.1L219 S220 H221 D224 I268 R272L219-T270 HydrophobicContact CB-CG2 3.63Å; S220-T270 WeakPolarHBondContact O-CG2 3.47Å; H221-T270 PolarHBondContact ND1-OG1 3.2Å; D224-T270 WeakPolarHBondContact OD1-CB 3.48Å; D224-T270 WeakPolarHBondContact OD1-CG2 3.48Å; D224-T270 PolarHBondContact OD1-N 3.19Å; D224-T270 PolarHBondContact OD1-OG1 3.4Å; D224-T270 PolarHBondContact OD2-OG1 3.08Å; I268-T270 HydrophobicContact CG2-CG2 3.97Å; T270-R272 VanDerWaalsContact C-N 3.33Å
271Y87Confident87.9Confident172 Ų17265.7 Ų65.768%0.67530%0.298SS*.THydrogen-bonded Turntrans-68.4-33.8174.2-62.7-86000112.2H221 N269H221-Y271 AromaticContact CE1-CE1 3.68Å; H221-Y271 AromaticContact CE1-CZ 3.61Å; H221-Y271 AromaticContact ND1-CE2 3.91Å; H221-Y271 AromaticContact ND1-CZ 3.76Å; N269-Y271 PolarHBondContact O-N 3.16Å; N269-Y271 WeakPolarHBondContact OD1-CB 3.23Å; N269-Y271 PolarHBondContact OD1-N 3.1Å
272R87Confident87.4Confident159 Ų15961 Ų6160%0.627%0.273SS*.THydrogen-bonded Turntrans-112.3-9.7-175.6-66.8-171.9175-178-0.4114.2F248 Y249 N269 T270F248-R272 CarbonylContact C-O 3.57Å; F248-R272 VanDerWaalsContact CA-O 3.23Å; F248-R272 WeakPolarHBondContact CA-O 3.34Å; Y249-R272 VanDerWaalsContact CD2-O 3.3Å; Y249-R272 WeakPolarHBondContact CD2-O 3.31Å; Y249-R272 PolarHBondContact N-O 2.6Å; N269-R272 PolarHBondContact O-N 3.4Å; N269-R272 VanDerWaalsContact O-N 3.12Å; N269-R272 PolarHBondContact OD1-N 3.2Å; T270-R272 VanDerWaalsContact C-N 3.33Å
273M91.5Very high87Confident31 Ų3164.8 Ų64.815%0.15329%0.291CS..EExtended strand (participates in β ladder)trans-122.7143.8-173-56.7-176.3172.700112.2Q247 F248 V266 N269Q247-M273 CarbonylContact O-C 3.34Å; Q247-M273 VanDerWaalsContact O-CA 3.25Å; Q247-M273 WeakPolarHBondContact O-CA 3.33Å; F248-M273 HydrophobicContact CB-CG 3.91Å; V266-M273 HydrophobicContact CG1-CE 4.39Å; N269-M273 HydrophobicContact CB-CG 4.42Å; N269-M273 HydrophobicContact CB-SD 4.42Å; N269-M273 WeakPolarHBondContact O-CA 3.4Å; N269-M273 WeakPolarHBondContact O-CB 3.34Å; N269-M273 VanDerWaalsContact O-CG 3.25Å; N269-M273 WeakPolarHBondContact O-CG 3.4Å; N269-M273 PolarHBondContact O-N 3.27Å
274R91Very high86.9Confident80 Ų8068.3 Ų68.330%0.30230%0.302SS..EExtended strand (participates in β ladder)trans-120149.3167-62.8-174.9179.6-173.84108.6T216 V217 V246 Q247 Y249T216-R274 HydrophobicContact CG2-CB 3.69Å; T216-R274 HydrophobicContact CG2-CG 4.4Å; V217-R274 WeakPolarHBondContact O-CA 3.41Å; V217-R274 WeakPolarHBondContact O-CB 3.49Å; V246-R274 CarbonylContact C-O 3.54Å; V246-R274 WeakPolarHBondContact CA-O 3.27Å; Q247-R274 HydrophobicContact CB-CB 4.48Å; Q247-R274 PolarHBondContact N-O 3.15Å; Q247-R274 PolarHBondContact O-N 3.44Å; Y249-R274 HydrophobicContact CE2-CG 4.5Å; Y249-R274 PolarHBondContact OH-NE 3.12Å; Y249-R274 PolarHBondContact OH-NH2 2.88Å
275A91.2Very high86.9Confident0 Ų064.4 Ų64.40%028%0.279CS..EExtended strand (participates in β ladder)trans-92.7141.717400000110.5T216 V217 L219 L243 V277T216-A275 CarbonylContact C-O 3.57Å; T216-A275 WeakPolarHBondContact CA-O 3.21Å; V217-A275 HydrophobicContact CG2-CB 4.11Å; V217-A275 PolarHBondContact N-O 2.9Å; V217-A275 PolarHBondContact O-N 3.35Å; L219-A275 HydrophobicContact CD1-CB 4.3Å; L219-A275 HydrophobicContact CD2-CB 3.65Å; L219-A275 HydrophobicContact CG-CB 4.05Å; L243-A275 HydrophobicContact CD2-CB 4.4Å; L243-A275 HydrophobicContact CG-CB 4.33Å; A275-V277 HydrophobicContact CB-CG1 3.92Å
276V92.4Very high86.9Confident10 Ų1057.2 Ų57.26%0.06126%0.255CS..EExtended strand (participates in β ladder)trans-99.6119.7166.3-1750000107.4L214 Y215 L244 A245 M258L214-V276 HydrophobicContact CD2-CG1 4.15Å; Y215-V276 CarbonylContact O-C 3.49Å; Y215-V276 WeakPolarHBondContact O-CA 3.24Å; L244-V276 PolarHBondContact N-O 3.41Å; A245-V276 HydrophobicContact CB-CB 3.92Å; A245-V276 HydrophobicContact CB-CG2 4.1Å; A245-V276 PolarHBondContact N-O 3.11Å; A245-V276 PolarHBondContact O-N 3.38Å; M258-V276 HydrophobicContact CE-CG2 3.95Å; M258-V276 HydrophobicContact SD-CG2 4.1Å
277V91.5Very high86.3Confident0 Ų063.8 Ų63.80%028%0.276CS..EExtended strand (participates in β ladder)trans-127.2147.2-170.6-53.60000111.1L214 Y215 V217 L242 L243 A275 A285 I289L214-V277 WeakPolarHBondContact CA-O 3.26Å; Y215-V277 PolarHBondContact N-O 3.07Å; Y215-V277 PolarHBondContact O-N 3.07Å; V217-V277 HydrophobicContact CG1-CG2 4.05Å; V217-V277 HydrophobicContact CG2-CG1 3.9Å; V217-V277 HydrophobicContact CG2-CG2 4.01Å; L242-V277 CarbonylContact O-C 3.51Å; L242-V277 VanDerWaalsContact O-CA 3.26Å; L242-V277 WeakPolarHBondContact O-CA 3.23Å; L243-V277 HydrophobicContact CD1-CB 4.39Å; L243-V277 HydrophobicContact CD1-CG1 3.53Å; L243-V277 HydrophobicContact CG-CG1 3.71Å; A275-V277 HydrophobicContact CB-CG1 3.92Å; V277-A285 HydrophobicContact CG2-CB 3.98Å; V277-I289 HydrophobicContact CG1-CD1 3.7Å; V277-I289 HydrophobicContact CG2-CD1 4.46Å
278L90.9Very high85.2Confident26 Ų2660.2 Ų60.214%0.13626%0.263CS..EExtended strand (participates in β ladder)trans-95.1114.6169.4-17470.6000108.2F184 Y212 K213 L214 L242 L244F184-L278 HydrophobicContact CD1-CD1 3.92Å; F184-L278 HydrophobicContact CE1-CD1 3.5Å; F184-L278 VanDerWaalsContact CE1-CD1 3.5Å; F184-L278 HydrophobicContact CE1-CD2 4.37Å; F184-L278 HydrophobicContact CZ-CD1 4.1Å; Y212-L278 HydrophobicContact CD1-CG 4.11Å; Y212-L278 HydrophobicContact CG-CG 4.29Å; K213-L278 WeakPolarHBondContact O-CA 3.49Å; L214-L278 HydrophobicContact CD2-CD1 4.48Å; L242-L278 HydrophobicContact CB-CB 4.22Å; L242-L278 HydrophobicContact CD2-CD2 4.27Å; L242-L278 PolarHBondContact N-O 2.78Å; L242-L278 PolarHBondContact O-N 3.38Å; L244-L278 HydrophobicContact CD1-CB 4.03Å
279A88.7Confident84.2Confident3 Ų360.1 Ų60.13%0.02526%0.262CS..EExtended strand (participates in β ladder)trans-146.3163.7-178.700000111Y212 K213 Y215 V241 A285Y212-A279 WeakPolarHBondContact CA-O 3.48Å; K213-A279 PolarHBondContact N-O 2.81Å; K213-A279 PolarHBondContact O-N 2.95Å; Y215-A279 HydrophobicContact CD2-CB 4.15Å; Y215-A279 WeakPolarHBondContact CE2-O 3.33Å; V241-A279 HydrophobicContact CB-CB 4.42Å; V241-A279 HydrophobicContact CG1-CB 3.81Å; A279-A285 HydrophobicContact CB-CB 3.69Å
280K84Confident83.2Confident95 Ų9563.2 Ų63.241%0.41327%0.273SS..SBendtrans-79.5-27.1176.7-67.2177.9-175.8159.70113.3K211 Y212K211-K280 HydrophobicContact CB-CG 4.36Å; K211-K280 WeakPolarHBondContact O-CA 3.36Å; Y212-K280 HydrophobicContact CD1-CG 4.1Å; Y212-K280 HydrophobicContact CD2-CG 4.29Å; Y212-K280 HydrophobicContact CE1-CG 3.97Å; Y212-K280 HydrophobicContact CE2-CD 4.49Å; Y212-K280 VanDerWaalsContact CE2-CE 3.5Å; Y212-K280 HydrophobicContact CE2-CG 4.16Å; Y212-K280 HydrophobicContact CG-CG 4.26Å; Y212-K280 VanDerWaalsContact CZ-CE 3.42Å; Y212-K280 VanDerWaalsContact OH-CE 3.31Å; Y212-K280 WeakPolarHBondContact OH-CE 3.2Å
281N81.1Confident82Confident57 Ų5766.6 Ų66.631%0.30529%0.29SS..  trans-145.7132.5-175.9-174.7-34.5000109.8I283 E284 A285N281-I283 WeakPolarHBondContact OD1-CB 3.49Å; N281-I283 PolarHBondContact OD1-N 3.11Å; N281-E284 HydrophobicContact CB-CB 4.22Å; N281-E284 HydrophobicContact CB-CG 4.14Å; N281-A285 WeakPolarHBondContact O-CB 3.43Å; N281-A285 PolarHBondContact O-N 3.39Å
282L79.6Confident80.6Confident20 Ų2058.6 Ų58.611%0.10526%0.259CS..Hα-helixtrans-59.9-43.4177176.460.9000112.7Y215 V217 A285 Q286Y215-L282 HydrophobicContact CD1-CB 3.74Å; Y215-L282 HydrophobicContact CD1-CD1 3.71Å; Y215-L282 HydrophobicContact CD1-CD2 4.46Å; Y215-L282 HydrophobicContact CD1-CG 4.16Å; Y215-L282 HydrophobicContact CD2-CB 4.47Å; Y215-L282 HydrophobicContact CE1-CB 3.71Å; Y215-L282 HydrophobicContact CE2-CB 4.43Å; Y215-L282 HydrophobicContact CG-CB 4.12Å; Y215-L282 HydrophobicContact CG-CD1 3.83Å; V217-L282 HydrophobicContact CG1-CD1 4.06Å; L282-A285 PolarHBondContact O-N 3.35Å; L282-Q286 HydrophobicContact CD1-CG 4.21Å; L282-Q286 WeakPolarHBondContact O-CB 3.44Å; L282-Q286 PolarHBondContact O-N 2.89Å
283I79.4Confident78.9Confident98 Ų9854.8 Ų54.850%0.50325%0.251SS..Hα-helixtrans-63.6-45.5-176.5-60.4173.1000109.7N281 Q286 R287N281-I283 WeakPolarHBondContact OD1-CB 3.49Å; N281-I283 PolarHBondContact OD1-N 3.11Å; I283-Q286 PolarHBondContact O-N 3.21Å; I283-R287 VanDerWaalsContact O-CB 3.27Å; I283-R287 WeakPolarHBondContact O-CB 3.35Å; I283-R287 PolarHBondContact O-N 3.27Å
284E76.8Confident76.9Confident93 Ų9359.8 Ų59.844%0.43528%0.278SS..Hα-helixtrans-63.5-47.3175.9-69.7-173.2155.900111N281 Q286 R287 Y288N281-E284 HydrophobicContact CB-CB 4.22Å; N281-E284 HydrophobicContact CB-CG 4.14Å; E284-Q286 VanDerWaalsContact C-N 3.33Å; E284-Q286 PolarHBondContact O-N 3.26Å; E284-R287 PolarHBondContact O-N 2.95Å; E284-R287 VanDerWaalsContact O-N 3.15Å; E284-Y288 HydrophobicContact CB-CD2 4.15Å; E284-Y288 HydrophobicContact CB-CE2 3.84Å; E284-Y288 HydrophobicContact CG-CE2 4.46Å; E284-Y288 WeakPolarHBondContact O-CD2 3.42Å; E284-Y288 PolarHBondContact O-N 3.38Å
285A80.8Confident75Confident0 Ų058.9 Ų58.90%028%0.281CS..Hα-helixtrans-57.6-44.9177.800000112.2V217 V241 V277 A279 N281 L282 I289V217-A285 HydrophobicContact CG1-CB 4.11Å; V241-A285 HydrophobicContact CG1-CB 4.45Å; V277-A285 HydrophobicContact CG2-CB 3.98Å; A279-A285 HydrophobicContact CB-CB 3.69Å; N281-A285 WeakPolarHBondContact O-CB 3.43Å; N281-A285 PolarHBondContact O-N 3.39Å; L282-A285 PolarHBondContact O-N 3.35Å; A285-I289 WeakPolarHBondContact O-CB 3.37Å; A285-I289 WeakPolarHBondContact O-CG1 3.15Å; A285-I289 PolarHBondContact O-N 3.18Å
286Q80Confident73Confident69 Ų6960.8 Ų60.832%0.32229%0.293SS..Hα-helixtrans-65.4-44.9174.5-82.6-174.6-4.500112V217 L282 I283 E284 K290V217-Q286 HydrophobicContact CB-CG 4.09Å; V217-Q286 HydrophobicContact CG1-CG 3.77Å; L282-Q286 HydrophobicContact CD1-CG 4.21Å; L282-Q286 WeakPolarHBondContact O-CB 3.44Å; L282-Q286 PolarHBondContact O-N 2.89Å; I283-Q286 PolarHBondContact O-N 3.21Å; E284-Q286 VanDerWaalsContact C-N 3.33Å; E284-Q286 PolarHBondContact O-N 3.26Å; Q286-K290 WeakPolarHBondContact O-CB 3.01Å; Q286-K290 PolarHBondContact O-N 3.2Å
287R75.4Confident70.9Confident170 Ų17067.7 Ų67.764%0.64232%0.319SS*.Hα-helixtrans-60.4-49-179.1-177.5-179176.8171.50.1111I283 E284 N291I283-R287 VanDerWaalsContact O-CB 3.27Å; I283-R287 WeakPolarHBondContact O-CB 3.35Å; I283-R287 PolarHBondContact O-N 3.27Å; E284-R287 PolarHBondContact O-N 2.95Å; E284-R287 VanDerWaalsContact O-N 3.15Å; R287-N291 WeakPolarHBondContact O-CA 3.43Å; R287-N291 WeakPolarHBondContact O-CB 3.49Å; R287-N291 PolarHBondContact O-N 3.45Å
288Y71.1Confident68.7Low97 Ų9772.3 Ų72.338%0.3835%0.347SS..Hα-helixtrans-66.2-42.2-177.1-69.3-55.1000112.2C239 E284 S292C239-Y288 HydrophobicContact CB-CD2 4.41Å; C239-Y288 HydrophobicContact CB-CG 3.97Å; E284-Y288 HydrophobicContact CB-CD2 4.15Å; E284-Y288 HydrophobicContact CB-CE2 3.84Å; E284-Y288 HydrophobicContact CG-CE2 4.46Å; E284-Y288 WeakPolarHBondContact O-CD2 3.42Å; E284-Y288 PolarHBondContact O-N 3.38Å; Y288-S292 WeakPolarHBondContact O-CB 3.38Å; Y288-S292 PolarHBondContact O-N 2.86Å
289I70.7Confident66.4Low1 Ų179.7 Ų79.71%0.00538%0.375CS..Hα-helixtrans-77.4-28.8-178.2-72.3170.6000112.2V217 K218 L219 S220 F223 V241 L243 V277 A285V217-I289 HydrophobicContact CG2-CB 4.46Å; V217-I289 HydrophobicContact CG2-CD1 3.59Å; V217-I289 HydrophobicContact CG2-CG2 4.21Å; K218-I289 WeakPolarHBondContact O-CG2 3.29Å; L219-I289 HydrophobicContact CD2-CG2 3.63Å; S220-I289 WeakPolarHBondContact CB-O 3.5Å; S220-I289 PolarHBondContact N-O 2.66Å; F223-I289 HydrophobicContact CE2-CG2 4.26Å; F223-I289 VanDerWaalsContact CE2-O 3.24Å; F223-I289 WeakPolarHBondContact CE2-O 3.32Å; V241-I289 HydrophobicContact CG2-CD1 3.9Å; V241-I289 HydrophobicContact CG2-CG1 4.32Å; L243-I289 HydrophobicContact CD1-CD1 4.13Å; V277-I289 HydrophobicContact CG1-CD1 3.7Å; V277-I289 HydrophobicContact CG2-CD1 4.46Å; A285-I289 WeakPolarHBondContact O-CB 3.37Å; A285-I289 WeakPolarHBondContact O-CG1 3.15Å; A285-I289 PolarHBondContact O-N 3.18Å
290K68.4Low64Low129 Ų12991 Ų9156%0.56142%0.423SS*.Hα-helixtrans-85.1-40.2178.6-168.1-178.7178.3-171.60112.6S220 Q286S220-K290 VanDerWaalsContact CB-O 3.24Å; S220-K290 WeakPolarHBondContact CB-O 3.48Å; S220-K290 PolarHBondContact OG-O 3.15Å; S220-K290 VanDerWaalsContact OG-O 3.08Å; Q286-K290 WeakPolarHBondContact O-CB 3.01Å; Q286-K290 PolarHBondContact O-N 3.2Å
291N63.5Low63Low88 Ų8890.8 Ų90.847%0.47142%0.424SS..Hα-helixtrans-98.610.4-173.4-60.2-15.6000113.8R287 L293 N294R287-N291 WeakPolarHBondContact O-CA 3.43Å; R287-N291 WeakPolarHBondContact O-CB 3.49Å; R287-N291 PolarHBondContact O-N 3.45Å; N291-L293 PolarHBondContact O-N 3.45Å; N291-N294 PolarHBondContact O-N 3.19Å
292S57.8Low62.1Low4 Ų492.6 Ų92.63%0.02843%0.43CS..THydrogen-bonded Turntrans-53.2-16.4176.853.40000114.5F223 Y288 N294 T295 V296F223-S292 VanDerWaalsContact CE2-OG 3.29Å; F223-S292 WeakPolarHBondContact CE2-OG 3.35Å; F223-S292 VanDerWaalsContact CZ-CB 3.42Å; F223-S292 WeakPolarHBondContact CZ-OG 3.32Å; Y288-S292 WeakPolarHBondContact O-CB 3.38Å; Y288-S292 PolarHBondContact O-N 2.86Å; S292-N294 VanDerWaalsContact C-N 3.28Å; S292-N294 PolarHBondContact O-N 3.27Å; S292-T295 PolarHBondContact O-N 2.96Å; S292-T295 VanDerWaalsContact O-N 3.16Å; S292-V296 WeakPolarHBondContact O-CB 3.48Å; S292-V296 VanDerWaalsContact O-CG2 3.3Å; S292-V296 WeakPolarHBondContact O-CG2 3.47Å; S292-V296 PolarHBondContact O-N 3.33Å
293L50.5Low61.1Low80 Ų8096.6 Ų96.642%0.41945%0.448SS..Hα-helixtrans-49.3-45.1172.3-76.9164000112.8A222 N291 T295 Y297A222-L293 HydrophobicContact CB-CD2 3.62Å; A222-L293 HydrophobicContact CB-CG 3.98Å; N291-L293 PolarHBondContact O-N 3.45Å; L293-T295 VanDerWaalsContact C-N 3.31Å; L293-T295 PolarHBondContact O-N 3.44Å; L293-Y297 HydrophobicContact CD2-CD2 4.28Å; L293-Y297 HydrophobicContact CD2-CE2 3.81Å; L293-Y297 WeakPolarHBondContact O-CD2 3.45Å
294N50.9Low60.1Low136 Ų13696.5 Ų96.573%0.72745%0.445SS*.Hα-helixtrans-74.4-24.9-175.7-74.4-1.2000112.9N291 S292 T298N291-N294 PolarHBondContact O-N 3.19Å; S292-N294 VanDerWaalsContact C-N 3.28Å; S292-N294 PolarHBondContact O-N 3.27Å; N294-T298 WeakPolarHBondContact O-CG2 3.24Å; N294-T298 PolarHBondContact O-OG1 2.8Å
295T50.3Low59Low61 Ų6196.8 Ų96.837%0.37445%0.445SS..Hα-helixtrans-93.7-36.5-176.1-25.10000112S292 L293 T298 Y299S292-T295 PolarHBondContact O-N 2.96Å; S292-T295 VanDerWaalsContact O-N 3.16Å; L293-T295 VanDerWaalsContact C-N 3.31Å; L293-T295 PolarHBondContact O-N 3.44Å; T295-T298 PolarHBondContact O-OG1 2.93Å; T295-T298 VanDerWaalsContact O-OG1 3.1Å; T295-Y299 WeakPolarHBondContact O-CD2 3.31Å
296V50Low57.6Low40 Ų40103.2 Ų103.224%0.24248%0.475CS..Hα-helixtrans-75.6-33.3-176.1177.80000111.7S292S292-V296 WeakPolarHBondContact O-CB 3.48Å; S292-V296 VanDerWaalsContact O-CG2 3.3Å; S292-V296 WeakPolarHBondContact O-CG2 3.47Å; S292-V296 PolarHBondContact O-N 3.33Å
297Y47.9Very low56Low155 Ų155105.6 Ų105.661%0.60849%0.486SS*.THydrogen-bonded Turntrans-84.3-11.6179.4-74.9-83.7000114.3L293 Y299L293-Y297 HydrophobicContact CD2-CD2 4.28Å; L293-Y297 HydrophobicContact CD2-CE2 3.81Å; L293-Y297 WeakPolarHBondContact O-CD2 3.45Å; Y297-Y299 VanDerWaalsContact C-N 3.35Å
298T45.7Very low54.5Low97 Ų97100.7 Ų100.760%0.59547%0.474SS*.THydrogen-bonded Turntrans-83.5-9.4176330000113.7N294 T295N294-T298 WeakPolarHBondContact O-CG2 3.24Å; N294-T298 PolarHBondContact O-OG1 2.8Å; T295-T298 PolarHBondContact O-OG1 2.93Å; T295-T298 VanDerWaalsContact O-OG1 3.1Å
299Y42.5Very low53.1Low181 Ų181101 Ų10171%0.7148%0.482SS*.  trans-118.116.6-179.3-69.4-80.7000114.4T295 Y297T295-Y299 WeakPolarHBondContact O-CD2 3.31Å; Y297-Y299 VanDerWaalsContact C-N 3.35Å
300K38.7Very low51.5Low240 Ų240110.1 Ų110.1100%1.04353%0.525SS*.  trans-1060161.6-86-169.8175.5-177.40109.6

Retrieved 300 of 300 residues in 62 ms (Link to these results)

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