A0A3Q0KCB9_SCHMA Loading...

Inositol-pentakisphosphate 2-kinase

Phosphorylates Ins(1,3,4,5,6)P5 at position 2 to form Ins(1,2,3,4,5,6)P6 (InsP6 or phytate).

AlphaFold DB , UniProt , Accession A0A3Q0KCB9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 507 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
1M33.4Very low38Very low243 Ų243108.6 Ų108.6100%1.19763%0.627SS**  091.10-78.3173.715100106.7
2S32.3Very low39.9Very low120 Ų120111.8 Ų111.884%0.83964%0.641SS**PPolyproline II helixtrans-61.6136.2162.219.60000107.5
3D29.4Very low42Very low144 Ų144106.2 Ų106.277%0.7761%0.609SS**PPolyproline II helixtrans-51.6135.3176.7-74.3-43.1000109.5
4P32.4Very low44.8Very low70 Ų70104.9 Ų104.946%0.45560%0.599SS.*PPolyproline II helixtrans-56.4143.7174.125.2-31.7000108V6P4-V6 PolarHBondContact O-N 3.2Å
5P38.2Very low47.3Very low102 Ų102103.7 Ų103.766%0.66258%0.584SS**  trans-54109.4-176.721.1-30.7000108.5L7 Q72P5-L7 PolarHBondContact O-N 2.92Å; P5-L7 VanDerWaalsContact O-N 3.16Å; P5-Q72 PolarHBondContact O-NE2 3.05Å
6V35.5Very low49.6Very low103 Ų103104.5 Ų104.562%0.62459%0.593SS**  trans-57.8122.3177.8175.80000105.9P4 N8P4-V6 PolarHBondContact O-N 3.2Å; V6-N8 PolarHBondContact O-N 2.73Å
7L45.1Very low51.9Low48 Ų48102.6 Ų102.625%0.25158%0.578SS.*  trans-6676.4170.9-74.2163.3000108.5P5 I68 F69 I86P5-L7 PolarHBondContact O-N 2.92Å; P5-L7 VanDerWaalsContact O-N 3.16Å; L7-I68 HydrophobicContact CD1-CB 4.32Å; L7-I68 HydrophobicContact CD1-CG2 3.57Å; L7-F69 HydrophobicContact CB-CZ 4.05Å; L7-F69 HydrophobicContact CD1-CD1 4.33Å; L7-F69 HydrophobicContact CD1-CD2 4.43Å; L7-F69 HydrophobicContact CD1-CE1 3.94Å; L7-F69 HydrophobicContact CD1-CE2 4.02Å; L7-F69 HydrophobicContact CD1-CZ 3.76Å; L7-F69 HydrophobicContact CG-CE1 4.46Å; L7-F69 HydrophobicContact CG-CZ 4.32Å; L7-I86 WeakPolarHBondContact CD2-O 3.32Å
8N35Very low54Low116 Ų11696.9 Ų96.962%0.6255%0.546SS*.  trans-62.5137.8160.5-72.8-20.5000106.7V6 P10 H87V6-N8 PolarHBondContact O-N 2.73Å; N8-P10 VanDerWaalsContact O-N 3.11Å; N8-H87 PolarHBondContact O-ND1 3.22Å
9E42.2Very low56.1Low104 Ų10493.6 Ų93.649%0.48653%0.525SS..  trans-48.3124.9154.4-74.9-162.8167.700104.5S11 K15E9-S11 PolarHBondContact O-N 3.27Å; E9-K15 IonicContact OE1-NZ 3.48Å; E9-K15 PolarHBondContact OE1-NZ 3.49Å; E9-K15 IonicContact OE2-NZ 3.05Å; E9-K15 PolarHBondContact OE2-NZ 3.3Å
10P47.6Very low58Low34 Ų3492.1 Ų92.122%0.22152%0.516CS..  trans-57.9113.5178.322.9-27.9000104.9N8 D12 V13 H87N8-P10 VanDerWaalsContact O-N 3.11Å; P10-D12 PolarHBondContact O-N 3.38Å; P10-V13 HydrophobicContact CB-CB 4.43Å; P10-V13 HydrophobicContact CB-CG2 3.71Å; P10-V13 HydrophobicContact CG-CB 3.86Å; P10-V13 HydrophobicContact CG-CG2 3.31Å; P10-V13 PolarHBondContact O-N 3.42Å; P10-V13 VanDerWaalsContact O-N 3.15Å; P10-H87 HydrophobicContact CG-CB 4.34Å
11S46.5Very low59.7Low111 Ų11189.8 Ų89.878%0.77650%0.502SS*.THydrogen-bonded Turntrans-55.6-18.1-175.647.40000111.5E9E9-S11 PolarHBondContact O-N 3.27Å
12D61.6Low62.6Low147 Ų14785 Ų8579%0.78648%0.481SS*.THydrogen-bonded Turntrans-108.8-0.1-168.6-51.2-16.1000113.1P10 N14P10-D12 PolarHBondContact O-N 3.38Å; D12-N14 PolarHBondContact O-N 3.24Å
13V67.1Low65.5Low38 Ų3880.3 Ų80.323%0.2345%0.447CS..  trans-82.3104.9175.5177.50000110.1P10 K15 L18 L43 I89P10-V13 HydrophobicContact CB-CB 4.43Å; P10-V13 HydrophobicContact CB-CG2 3.71Å; P10-V13 HydrophobicContact CG-CB 3.86Å; P10-V13 HydrophobicContact CG-CG2 3.31Å; P10-V13 PolarHBondContact O-N 3.42Å; P10-V13 VanDerWaalsContact O-N 3.15Å; V13-K15 PolarHBondContact O-N 3.25Å; V13-L18 HydrophobicContact CG1-CB 4.06Å; V13-L18 HydrophobicContact CG1-CD1 4.18Å; V13-L18 HydrophobicContact CG1-CD2 3.81Å; V13-L18 HydrophobicContact CG1-CG 4.23Å; V13-L43 HydrophobicContact CG1-CD1 4.36Å; V13-L43 HydrophobicContact CG2-CD1 4.3Å; V13-I89 HydrophobicContact CG1-CD1 4.26Å
14N80.9Confident68.7Low88 Ų8873.9 Ų73.947%0.47141%0.412SS..  trans-61.1100.1171.3-175.2-15000110.4D12 T16 E17 L18D12-N14 PolarHBondContact O-N 3.24Å; N14-T16 PolarHBondContact O-N 2.93Å; N14-T16 VanDerWaalsContact OD1-CB 3.3Å; N14-T16 WeakPolarHBondContact OD1-CB 3.35Å; N14-T16 PolarHBondContact OD1-N 3.13Å; N14-T16 VanDerWaalsContact OD1-N 3.1Å; N14-E17 HydrophobicContact CB-CB 4.18Å; N14-E17 PolarHBondContact O-N 3.41Å; N14-E17 VanDerWaalsContact O-N 3.12Å; N14-E17 PolarHBondContact OD1-N 3.34Å; N14-L18 WeakPolarHBondContact O-CB 3.39Å; N14-L18 PolarHBondContact O-N 2.89Å
15K82.9Confident71.7Confident87 Ų8773.4 Ų73.438%0.37841%0.41SS..Hα-helixtrans-58.4-31.1-178.4-70.6-179.4-176.6170.70112.4E9 V13 F19E9-K15 IonicContact OE1-NZ 3.48Å; E9-K15 PolarHBondContact OE1-NZ 3.49Å; E9-K15 IonicContact OE2-NZ 3.05Å; E9-K15 PolarHBondContact OE2-NZ 3.3Å; V13-K15 PolarHBondContact O-N 3.25Å; K15-F19 HydrophobicContact CB-CD2 4.26Å; K15-F19 HydrophobicContact CB-CE2 4.41Å; K15-F19 HydrophobicContact CG-CE2 4.48Å; K15-F19 WeakPolarHBondContact O-CB 3.46Å; K15-F19 VanDerWaalsContact O-CD2 3.27Å; K15-F19 WeakPolarHBondContact O-CD2 3.43Å; K15-F19 PolarHBondContact O-N 3.13Å
16T83.8Confident74.4Confident117 Ų11770.6 Ų70.672%0.71839%0.386SS*.Hα-helixtrans-65.8-44.1177.9-52.40000111.1N14 N20N14-T16 PolarHBondContact O-N 2.93Å; N14-T16 VanDerWaalsContact OD1-CB 3.3Å; N14-T16 WeakPolarHBondContact OD1-CB 3.35Å; N14-T16 PolarHBondContact OD1-N 3.13Å; N14-T16 VanDerWaalsContact OD1-N 3.1Å; T16-N20 WeakPolarHBondContact O-CB 3.09Å; T16-N20 PolarHBondContact O-N 3.38Å
17E87.8Confident77.1Confident72 Ų7268.1 Ų68.134%0.33637%0.366SS..Hα-helixtrans-74.2-37.5178-172.7174-169.200112.2N14 F19 N20 N38 K40 T41N14-E17 HydrophobicContact CB-CB 4.18Å; N14-E17 PolarHBondContact O-N 3.41Å; N14-E17 VanDerWaalsContact O-N 3.12Å; N14-E17 PolarHBondContact OD1-N 3.34Å; E17-F19 PolarHBondContact O-N 2.88Å; E17-N20 PolarHBondContact O-N 3.35Å; E17-N38 PolarHBondContact O-ND2 3.5Å; E17-K40 HydrophobicContact CG-CB 4.36Å; E17-K40 VanDerWaalsContact OE1-CB 3.26Å; E17-K40 WeakPolarHBondContact OE1-CB 3.24Å; E17-T41 HydrophobicContact CG-CG2 3.86Å
18L91Very high79.2Confident0 Ų067.7 Ų67.70%036%0.364CS..Hα-helixtrans-61-42.8178.4-178.673.9000112.3V13 N14 N38 L43 L45 I89 V125V13-L18 HydrophobicContact CG1-CB 4.06Å; V13-L18 HydrophobicContact CG1-CD1 4.18Å; V13-L18 HydrophobicContact CG1-CD2 3.81Å; V13-L18 HydrophobicContact CG1-CG 4.23Å; N14-L18 WeakPolarHBondContact O-CB 3.39Å; N14-L18 PolarHBondContact O-N 2.89Å; L18-N38 WeakPolarHBondContact CA-ND2 3.27Å; L18-N38 PolarHBondContact O-ND2 3.2Å; L18-L43 HydrophobicContact CD1-CB 4.44Å; L18-L43 HydrophobicContact CD1-CD1 3.84Å; L18-L45 HydrophobicContact CD1-CD1 3.75Å; L18-L45 HydrophobicContact CD1-CG 4.46Å; L18-L45 HydrophobicContact CG-CD1 4.41Å; L18-I89 HydrophobicContact CD2-CD1 3.68Å; L18-I89 HydrophobicContact CD2-CG2 4.26Å; L18-V125 HydrophobicContact CD1-CG1 3.99Å; L18-V125 HydrophobicContact CD1-CG2 4.47Å; L18-V125 HydrophobicContact CD2-CG2 4.14Å
19F92.9Very high81.9Confident35 Ų3562.3 Ų62.315%0.15434%0.335CS..THydrogen-bonded Turntrans-100.613.9-177-62.2-53.9000113.6K15 E17 L21 L45 I89 F95 V123K15-F19 HydrophobicContact CB-CD2 4.26Å; K15-F19 HydrophobicContact CB-CE2 4.41Å; K15-F19 HydrophobicContact CG-CE2 4.48Å; K15-F19 WeakPolarHBondContact O-CB 3.46Å; K15-F19 VanDerWaalsContact O-CD2 3.27Å; K15-F19 WeakPolarHBondContact O-CD2 3.43Å; K15-F19 PolarHBondContact O-N 3.13Å; E17-F19 PolarHBondContact O-N 2.88Å; F19-L21 PolarHBondContact O-N 3.39Å; F19-L45 HydrophobicContact CD1-CD2 4.03Å; F19-L45 HydrophobicContact CE1-CD2 3.95Å; F19-I89 HydrophobicContact CE2-CG2 3.85Å; F19-I89 HydrophobicContact CZ-CB 4.31Å; F19-I89 HydrophobicContact CZ-CG2 3.66Å; F19-F95 HydrophobicContact CB-CD2 4Å; F19-F95 HydrophobicContact CB-CE2 3.8Å; F19-F95 HydrophobicContact CB-CZ 4.3Å; F19-F95 HydrophobicContact CD1-CD1 4.25Å; F19-F95 HydrophobicContact CD1-CD2 4.45Å; F19-F95 AromaticContact CD1-CE1 3.72Å; F19-F95 HydrophobicContact CD1-CE1 3.72Å; F19-F95 AromaticContact CD1-CE2 3.96Å; F19-F95 HydrophobicContact CD1-CE2 3.96Å; F19-F95 AromaticContact CD1-CZ 3.56Å; F19-F95 HydrophobicContact CD1-CZ 3.56Å; F19-F95 HydrophobicContact CE1-CE1 4.16Å; F19-F95 HydrophobicContact CE1-CZ 4.37Å; F19-F95 HydrophobicContact CG-CE2 4.33Å; F19-F95 HydrophobicContact CG-CZ 4.37Å; F19-F95 VanDerWaalsContact O-CE2 3.27Å; F19-F95 WeakPolarHBondContact O-CE2 3.37Å; F19-V123 HydrophobicContact CE1-CG2 3.76Å; F19-V123 HydrophobicContact CZ-CG2 4.02Å
20N93.8Very high84Confident63 Ų6358.8 Ų58.834%0.33733%0.327SS..  trans-72.6113.6170.3-174.8-18000109.6T16 E17 D22 N23 L24T16-N20 WeakPolarHBondContact O-CB 3.09Å; T16-N20 PolarHBondContact O-N 3.38Å; E17-N20 PolarHBondContact O-N 3.35Å; N20-D22 PolarHBondContact O-N 3.35Å; N20-D22 WeakPolarHBondContact OD1-CB 3.35Å; N20-D22 PolarHBondContact OD1-N 3.2Å; N20-N23 PolarHBondContact O-N 3.12Å; N20-N23 VanDerWaalsContact O-N 3.08Å; N20-L24 WeakPolarHBondContact O-CG 3.48Å
21L94.3Very high85.7Confident43 Ų4361.7 Ų61.723%0.22534%0.34CS..G310 helixtrans-58.3-31.8-177.9-67.4168.4000113.1F19 N23 L24 F95 E98 L99F19-L21 PolarHBondContact O-N 3.39Å; L21-N23 PolarHBondContact O-N 3.14Å; L21-L24 PolarHBondContact O-N 3.07Å; L21-L24 VanDerWaalsContact O-N 3.1Å; L21-F95 HydrophobicContact CD2-CD2 4.08Å; L21-F95 HydrophobicContact CD2-CE2 3.74Å; L21-F95 HydrophobicContact CG-CD2 4.5Å; L21-F95 HydrophobicContact CG-CE2 4.36Å; L21-E98 HydrophobicContact CD1-CB 3.53Å; L21-E98 HydrophobicContact CD1-CG 4.47Å; L21-E98 HydrophobicContact CD2-CB 4.44Å; L21-L99 HydrophobicContact CD2-CB 3.92Å; L21-L99 HydrophobicContact CD2-CD1 4.1Å
22D94.1Very high87.5Confident144 Ų14460.4 Ų60.477%0.7733%0.325SS*.G310 helixtrans-67.9-21.4-179.6-62.1-27000112.4N20N20-D22 PolarHBondContact O-N 3.35Å; N20-D22 WeakPolarHBondContact OD1-CB 3.35Å; N20-D22 PolarHBondContact OD1-N 3.2Å
23N94.3Very high88.9Confident20 Ų2054.6 Ų54.611%0.10730%0.295CS..G310 helixtrans-92.7-6.4177.4-63.6-28000112.6N20 L21 N38 T39 K40N20-N23 PolarHBondContact O-N 3.12Å; N20-N23 VanDerWaalsContact O-N 3.08Å; L21-N23 PolarHBondContact O-N 3.14Å; N23-N38 CarbonylContact O-C 3.59Å; N23-N38 VanDerWaalsContact O-CA 3.31Å; N23-N38 WeakPolarHBondContact O-CA 3.49Å; N23-T39 PolarHBondContact O-N 2.82Å; N23-T39 PolarHBondContact O-OG1 2.97Å; N23-K40 HydrophobicContact CB-CG 4.18Å; N23-K40 VanDerWaalsContact CG-CG 3.45Å; N23-K40 WeakPolarHBondContact OD1-CG 3.49Å
24L95.5Very high90.2Very high9 Ų952.8 Ų52.85%0.04728%0.284CS..EExtended strand (participates in β ladder)trans-101.2118.6-171.8-65.2178.8000111.7N20 L21 V36 S37 N38 L45 F95 L99N20-L24 WeakPolarHBondContact O-CG 3.48Å; L21-L24 PolarHBondContact O-N 3.07Å; L21-L24 VanDerWaalsContact O-N 3.1Å; L24-V36 HydrophobicContact CD2-CG2 4.21Å; L24-S37 WeakPolarHBondContact CA-O 3.46Å; L24-N38 HydrophobicContact CD2-CB 3.82Å; L24-L45 HydrophobicContact CD1-CD2 4.34Å; L24-L45 HydrophobicContact CD2-CD1 4.07Å; L24-L45 HydrophobicContact CD2-CD2 4.3Å; L24-F95 HydrophobicContact CD1-CE2 3.84Å; L24-F95 HydrophobicContact CD1-CZ 3.64Å; L24-L99 HydrophobicContact CB-CD1 4.27Å; L24-L99 HydrophobicContact CD1-CD1 3.84Å
25C94.5Very high90.8Very high61 Ų6150.1 Ų50.141%0.41227%0.271SS..EExtended strand (participates in β ladder)trans-111137.1175.7-62.90000110.8R27 V36 S37C25-R27 PolarHBondContact O-N 2.89Å; C25-V36 CarbonylContact O-C 3.59Å; C25-V36 WeakPolarHBondContact O-CA 3.4Å; C25-V36 WeakPolarHBondContact O-CB 3.5Å; C25-S37 PolarHBondContact N-O 3.11Å; C25-S37 PolarHBondContact O-N 3.44Å
26Y95.2Very high91.5Very high42 Ų4246 Ų4617%0.16525%0.253CS..EExtended strand (participates in β ladder)trans-57131.2168173.6-95000110.5E29 I34 I103 F106 R107 P108Y26-E29 HydrophobicContact CE2-CB 4.21Å; Y26-E29 HydrophobicContact CE2-CG 4.32Å; Y26-E29 WeakPolarHBondContact OH-CG 3.44Å; Y26-E29 PolarHBondContact OH-N 3.46Å; Y26-I34 HydrophobicContact CD2-CG2 4.34Å; Y26-I34 HydrophobicContact CE2-CG2 4.32Å; Y26-I103 HydrophobicContact CD2-CB 4.45Å; Y26-F106 HydrophobicContact CD1-CB 3.79Å; Y26-F106 WeakPolarHBondContact CE1-O 3.4Å; Y26-F106 HydrophobicContact CG-CB 3.9Å; Y26-R107 HydrophobicContact CD2-CG 3.97Å; Y26-R107 HydrophobicContact CE2-CG 3.75Å; Y26-P108 VanDerWaalsContact OH-CD 3.23Å; Y26-P108 WeakPolarHBondContact OH-CD 3.42Å
27R92.1Very high92Very high51 Ų5140.8 Ų40.819%0.19222%0.221CC..EExtended strand (participates in β ladder)trans-112.4-57.4-178.9-175.763.571102.410.6113C25 V35 S37 D128 T130 S228C25-R27 PolarHBondContact O-N 2.89Å; R27-V35 HydrophobicContact CB-CB 4.49Å; R27-V35 HydrophobicContact CB-CG1 4.21Å; R27-V35 WeakPolarHBondContact CB-O 3.49Å; R27-V35 PolarHBondContact N-O 2.95Å; R27-S37 PolarHBondContact NH2-OG 3.12Å; R27-D128 IonicContact CZ-OD2 2.77Å; R27-D128 IonicContact NH1-OD1 3.03Å; R27-D128 IonicContact NH1-OD2 4Å; R27-D128 PolarHBondContact NH1-OD2 2.97Å; R27-D128 IonicContact NH2-OD2 3.81Å; R27-D128 PolarHBondContact NH2-OD2 2.89Å; R27-T130 PolarHBondContact NH1-OG1 2.98Å; R27-S228 PolarHBondContact NH1-O 2.94Å
28D90.9Very high92.3Very high40 Ų4037.4 Ų37.421%0.21421%0.205CC..EExtended strand (participates in β ladder)trans-162.2171.1177.2-1644.6000109.2V35 R223D28-V35 PolarHBondContact N-O 3.44Å; D28-V35 WeakPolarHBondContact O-CB 3.32Å; D28-V35 PolarHBondContact O-N 3.36Å; D28-R223 IonicContact OD1-NH2 2.97Å; D28-R223 IonicContact OD2-CZ 2.8Å; D28-R223 VanDerWaalsContact OD2-CZ 3.26Å; D28-R223 IonicContact OD2-NH1 2.83Å; D28-R223 PolarHBondContact OD2-NH1 3.05Å; D28-R223 VanDerWaalsContact OD2-NH1 3.16Å; D28-R223 IonicContact OD2-NH2 3.27Å; D28-R223 PolarHBondContact OD2-NH2 3.46Å
29E90.9Very high92.3Very high2 Ų241.4 Ų41.41%0.00923%0.23CC..EExtended strand (participates in β ladder)trans-146.8134169.270.9-172.2142.700114.4Y26 T33 I34 K49 R107 P108 R111Y26-E29 HydrophobicContact CE2-CB 4.21Å; Y26-E29 HydrophobicContact CE2-CG 4.32Å; Y26-E29 WeakPolarHBondContact OH-CG 3.44Å; Y26-E29 PolarHBondContact OH-N 3.46Å; E29-T33 CarbonylContact C-O 3.51Å; E29-T33 WeakPolarHBondContact CA-O 3.5Å; E29-I34 HydrophobicContact CB-CB 4.48Å; E29-I34 HydrophobicContact CB-CG1 4.2Å; E29-K49 VanDerWaalsContact CD-NZ 3.35Å; E29-K49 WeakPolarHBondContact OE2-CE 3.31Å; E29-K49 IonicContact OE2-NZ 2.87Å; E29-K49 PolarHBondContact OE2-NZ 3.31Å; E29-R107 VanDerWaalsContact OE1-CB 3.3Å; E29-R107 WeakPolarHBondContact OE1-CB 3.3Å; E29-R107 IonicContact OE1-NE 3.58Å; E29-R107 PolarHBondContact OE1-NE 3.18Å; E29-R107 IonicContact OE1-NH2 2.76Å; E29-R107 IonicContact OE2-CZ 2.8Å; E29-R107 VanDerWaalsContact OE2-CZ 3.29Å; E29-R107 IonicContact OE2-NE 3.36Å; E29-R107 PolarHBondContact OE2-NE 3.18Å; E29-R107 IonicContact OE2-NH2 3.29Å; E29-R107 PolarHBondContact OE2-NH2 2.62Å; E29-P108 WeakPolarHBondContact OE1-CD 3.37Å; E29-R111 HydrophobicContact CG-CB 3.8Å; E29-R111 HydrophobicContact CG-CG 3.68Å; E29-R111 PolarHBondContact O-NE 3.49Å; E29-R111 VanDerWaalsContact O-NE 3.16Å; E29-R111 PolarHBondContact O-NH2 3.44Å; E29-R111 WeakPolarHBondContact OE1-CB 3.31Å
30G86.1Confident92.1Very high31 Ų3146.3 Ų46.332%0.3225%0.251SS..  trans-83.9-16717000000112.1N32 T33 K49G30-N32 VanDerWaalsContact C-N 3.34Å; G30-T33 PolarHBondContact N-O 2.94Å; G30-K49 WeakPolarHBondContact O-CE 3.37Å; G30-K49 PolarHBondContact O-NZ 3.43Å
31N83.6Confident91.8Very high94 Ų9445.1 Ų45.150%0.50325%0.246SC..SBendtrans-73.9-26.2175.4-170.765.5000113.4K114N31-K114 PolarHBondContact ND2-NZ 3.22Å; N31-K114 VanDerWaalsContact ND2-NZ 3.2Å; N31-K114 VanDerWaalsContact O-CD 3.23Å; N31-K114 WeakPolarHBondContact O-CD 3.24Å; N31-K114 PolarHBondContact O-NZ 3.01Å
32N84.3Confident91.5Very high84 Ų8445.5 Ų45.545%0.44925%0.253SS..SBendtrans-123-8.3-171.5-60.3-22.4000113.3G30 K49 K114G30-N32 VanDerWaalsContact C-N 3.34Å; N32-K49 WeakPolarHBondContact O-CB 3.23Å; N32-K49 PolarHBondContact O-N 3.18Å; N32-K114 PolarHBondContact OD1-NZ 3.19Å
33T89.8Confident91.4Very high26 Ų2640.3 Ų40.316%0.1623%0.225CC..EExtended strand (participates in β ladder)trans-140.8138.2-170.2-51.30000109.9E29 G30 V35 R46 I47E29-T33 CarbonylContact C-O 3.51Å; E29-T33 WeakPolarHBondContact CA-O 3.5Å; G30-T33 PolarHBondContact N-O 2.94Å; T33-V35 HydrophobicContact CG2-CG2 4.47Å; T33-R46 HydrophobicContact CG2-CB 3.7Å; T33-R46 HydrophobicContact CG2-CG 4.47Å; T33-I47 CarbonylContact C-O 3.54Å; T33-I47 VanDerWaalsContact CA-O 3.27Å; T33-I47 WeakPolarHBondContact CA-O 3.35Å
34I94.3Very high91.4Very high0 Ų040 Ų400%022%0.223CC..EExtended strand (participates in β ladder)trans-104.8138.7167.5-59.4173.9000107.5Y26 E29 V36 R46 I47 K49 I103 V116Y26-I34 HydrophobicContact CD2-CG2 4.34Å; Y26-I34 HydrophobicContact CE2-CG2 4.32Å; E29-I34 HydrophobicContact CB-CB 4.48Å; E29-I34 HydrophobicContact CB-CG1 4.2Å; I34-V36 HydrophobicContact CG2-CG1 4.37Å; I34-R46 CarbonylContact O-C 3.5Å; I34-R46 WeakPolarHBondContact O-CA 3.48Å; I34-I47 HydrophobicContact CB-CB 4.46Å; I34-I47 PolarHBondContact N-O 3.44Å; I34-I47 PolarHBondContact O-N 3.48Å; I34-K49 HydrophobicContact CD1-CG 4.11Å; I34-K49 HydrophobicContact CG1-CD 4.13Å; I34-K49 HydrophobicContact CG1-CG 3.74Å; I34-I103 HydrophobicContact CD1-CD1 4.37Å; I34-I103 HydrophobicContact CG2-CD1 3.7Å; I34-V116 HydrophobicContact CD1-CG2 3.85Å
35V95Very high91.4Very high32 Ų3239.5 Ų39.519%0.19422%0.22CC..EExtended strand (participates in β ladder)trans-116.7125.1-178.5-173.40000108.4R27 D28 T33 I44 L45R27-V35 HydrophobicContact CB-CB 4.49Å; R27-V35 HydrophobicContact CB-CG1 4.21Å; R27-V35 WeakPolarHBondContact CB-O 3.49Å; R27-V35 PolarHBondContact N-O 2.95Å; D28-V35 PolarHBondContact N-O 3.44Å; D28-V35 WeakPolarHBondContact O-CB 3.32Å; D28-V35 PolarHBondContact O-N 3.36Å; T33-V35 HydrophobicContact CG2-CG2 4.47Å; V35-I44 HydrophobicContact CG1-CG2 3.23Å; V35-L45 WeakPolarHBondContact CA-O 3.45Å
36V96.4Very high91.3Very high0 Ų038 Ų380%021%0.206CC..EExtended strand (participates in β ladder)trans-123.1142.6173.1-54.50000109.3L24 C25 I34 I44 L45 I47 L99 I103L24-V36 HydrophobicContact CD2-CG2 4.21Å; C25-V36 CarbonylContact O-C 3.59Å; C25-V36 WeakPolarHBondContact O-CA 3.4Å; C25-V36 WeakPolarHBondContact O-CB 3.5Å; I34-V36 HydrophobicContact CG2-CG1 4.37Å; V36-I44 WeakPolarHBondContact O-CA 3.29Å; V36-L45 HydrophobicContact CG2-CB 3.64Å; V36-L45 HydrophobicContact CG2-CD2 4.4Å; V36-L45 HydrophobicContact CG2-CG 4.45Å; V36-L45 PolarHBondContact N-O 3.17Å; V36-L45 PolarHBondContact O-N 2.78Å; V36-I47 HydrophobicContact CB-CD1 4.46Å; V36-I47 HydrophobicContact CG1-CD1 4.09Å; V36-I47 HydrophobicContact CG2-CD1 3.63Å; V36-L99 HydrophobicContact CG1-CD1 4.37Å; V36-I103 HydrophobicContact CG1-CD1 4.26Å; V36-I103 HydrophobicContact CG1-CG2 3.99Å
37S95.3Very high91.2Very high7 Ų736.1 Ų36.15%0.04920%0.199CC..EExtended strand (participates in β ladder)trans-102.1137.8176.258.10000111.3L24 C25 R27 I44L24-S37 WeakPolarHBondContact CA-O 3.46Å; C25-S37 PolarHBondContact N-O 3.11Å; C25-S37 PolarHBondContact O-N 3.44Å; R27-S37 PolarHBondContact NH2-OG 3.12Å; S37-I44 VanDerWaalsContact CB-CD1 3.44Å
38N94.4Very high91Very high1 Ų136.2 Ų36.21%0.00520%0.199CC..EExtended strand (participates in β ladder)trans-89.6115.4168.9-171.6-50.2000109.6E17 L18 N23 L24 K40 T41 S42 L43 L45E17-N38 PolarHBondContact O-ND2 3.5Å; L18-N38 WeakPolarHBondContact CA-ND2 3.27Å; L18-N38 PolarHBondContact O-ND2 3.2Å; N23-N38 CarbonylContact O-C 3.59Å; N23-N38 VanDerWaalsContact O-CA 3.31Å; N23-N38 WeakPolarHBondContact O-CA 3.49Å; L24-N38 HydrophobicContact CD2-CB 3.82Å; N38-K40 PolarHBondContact O-N 2.61Å; N38-K40 PolarHBondContact OD1-N 3.09Å; N38-T41 WeakPolarHBondContact CB-OG1 3.5Å; N38-T41 PolarHBondContact OD1-N 3.27Å; N38-T41 PolarHBondContact OD1-OG1 3.35Å; N38-S42 PolarHBondContact O-N 3.16Å; N38-L43 PolarHBondContact N-O 3.37Å; N38-L45 HydrophobicContact CB-CD1 4.5Å
39T89.9Confident91Very high85 Ų8534.4 Ų34.452%0.52119%0.19SC..THydrogen-bonded Turntrans-72.7-12.7-174.459.20000113.8N23N23-T39 PolarHBondContact O-N 2.82Å; N23-T39 PolarHBondContact O-OG1 2.97Å
40K89Confident90.9Very high138 Ų13836.4 Ų36.460%0.620%0.202SC*.THydrogen-bonded Turntrans-98-32.3179.4-63.9-63.6-173.9178.70113.7E17 N23 N38E17-K40 HydrophobicContact CG-CB 4.36Å; E17-K40 VanDerWaalsContact OE1-CB 3.26Å; E17-K40 WeakPolarHBondContact OE1-CB 3.24Å; N23-K40 HydrophobicContact CB-CG 4.18Å; N23-K40 VanDerWaalsContact CG-CG 3.45Å; N23-K40 WeakPolarHBondContact OD1-CG 3.49Å; N38-K40 PolarHBondContact O-N 2.61Å; N38-K40 PolarHBondContact OD1-N 3.09Å
41T87.3Confident90.3Very high38 Ų3837.7 Ų37.723%0.23320%0.201CC..THydrogen-bonded Turntrans-107.5-2-170.669.90000114.3E17 N38 L43E17-T41 HydrophobicContact CG-CG2 3.86Å; N38-T41 WeakPolarHBondContact CB-OG1 3.5Å; N38-T41 PolarHBondContact OD1-N 3.27Å; N38-T41 PolarHBondContact OD1-OG1 3.35Å; T41-L43 WeakPolarHBondContact O-CG 3.22Å; T41-L43 PolarHBondContact O-N 3.18Å; T41-L43 VanDerWaalsContact O-N 3.16Å; T41-L43 WeakPolarHBondContact OG1-CB 3.18Å; T41-L43 WeakPolarHBondContact OG1-CD1 3.48Å; T41-L43 WeakPolarHBondContact OG1-CG 3.41Å; T41-L43 PolarHBondContact OG1-N 3.05Å
42S88.3Confident89Confident51 Ų5138.2 Ų38.236%0.35721%0.208SC..THydrogen-bonded Turntrans55.629.1-172.1-55.80000113.4N38 D128 Q131N38-S42 PolarHBondContact O-N 3.16Å; S42-D128 WeakPolarHBondContact O-CB 3.19Å; S42-D128 PolarHBondContact O-N 3.4Å; S42-Q131 PolarHBondContact OG-OE1 3.43Å
43L93.1Very high87.3Confident34 Ų3437.9 Ų37.918%0.17822%0.224CC..EExtended strand (participates in β ladder)trans-108152.8179.6-62174.5000110.9V13 L18 N38 T41 V125 T126V13-L43 HydrophobicContact CG1-CD1 4.36Å; V13-L43 HydrophobicContact CG2-CD1 4.3Å; L18-L43 HydrophobicContact CD1-CB 4.44Å; L18-L43 HydrophobicContact CD1-CD1 3.84Å; N38-L43 PolarHBondContact N-O 3.37Å; T41-L43 WeakPolarHBondContact O-CG 3.22Å; T41-L43 PolarHBondContact O-N 3.18Å; T41-L43 VanDerWaalsContact O-N 3.16Å; T41-L43 WeakPolarHBondContact OG1-CB 3.18Å; T41-L43 WeakPolarHBondContact OG1-CD1 3.48Å; T41-L43 WeakPolarHBondContact OG1-CG 3.41Å; T41-L43 PolarHBondContact OG1-N 3.05Å; L43-V125 HydrophobicContact CB-CG1 4.12Å; L43-V125 HydrophobicContact CD1-CG1 3.91Å; L43-V125 HydrophobicContact CD2-CG1 4.41Å; L43-V125 HydrophobicContact CG-CG1 4.36Å; L43-T126 CarbonylContact C-O 3.54Å; L43-T126 WeakPolarHBondContact CA-O 3.49Å
44I94.1Very high84.8Confident13 Ų1344.1 Ų44.17%0.06725%0.245CC..EExtended strand (participates in β ladder)trans-113133.7174-64.3-58.6000109V35 V36 S37 R46 V125 T126 D128V35-I44 HydrophobicContact CG1-CG2 3.23Å; V36-I44 WeakPolarHBondContact O-CA 3.29Å; S37-I44 VanDerWaalsContact CB-CD1 3.44Å; I44-R46 HydrophobicContact CG2-CG 4.24Å; I44-V125 WeakPolarHBondContact O-CA 3.43Å; I44-T126 HydrophobicContact CB-CG2 4.19Å; I44-T126 PolarHBondContact N-O 2.9Å; I44-T126 PolarHBondContact O-N 3.32Å; I44-T126 VanDerWaalsContact O-N 3.07Å; I44-D128 HydrophobicContact CD1-CB 3.95Å; I44-D128 HydrophobicContact CG1-CB 3.77Å
45L94.6Very high81.7Confident0 Ų051.3 Ų51.30%028%0.284CS..EExtended strand (participates in β ladder)trans-102.5127.7168.4-68.564.3000108.5L18 F19 L24 V35 V36 N38 I47 F95 V123 F124 V125L18-L45 HydrophobicContact CD1-CD1 3.75Å; L18-L45 HydrophobicContact CD1-CG 4.46Å; L18-L45 HydrophobicContact CG-CD1 4.41Å; F19-L45 HydrophobicContact CD1-CD2 4.03Å; F19-L45 HydrophobicContact CE1-CD2 3.95Å; L24-L45 HydrophobicContact CD1-CD2 4.34Å; L24-L45 HydrophobicContact CD2-CD1 4.07Å; L24-L45 HydrophobicContact CD2-CD2 4.3Å; V35-L45 WeakPolarHBondContact CA-O 3.45Å; V36-L45 HydrophobicContact CG2-CB 3.64Å; V36-L45 HydrophobicContact CG2-CD2 4.4Å; V36-L45 HydrophobicContact CG2-CG 4.45Å; V36-L45 PolarHBondContact N-O 3.17Å; V36-L45 PolarHBondContact O-N 2.78Å; N38-L45 HydrophobicContact CB-CD1 4.5Å; L45-I47 HydrophobicContact CB-CD1 4.03Å; L45-F95 HydrophobicContact CD2-CZ 4.37Å; L45-V123 HydrophobicContact CD2-CG2 4.38Å; L45-V123 HydrophobicContact CG-CG2 4.45Å; L45-F124 CarbonylContact C-O 3.29Å; L45-F124 WeakPolarHBondContact CA-O 2.99Å; L45-V125 HydrophobicContact CG-CG2 4.23Å
46R92.7Very high78.7Confident28 Ų2856.4 Ų56.411%0.10631%0.314CS..EExtended strand (participates in β ladder)trans-105.5113.2172.8-54.5174.574.9-148.2-2.2108.7T33 I34 I44 F124 D472T33-R46 HydrophobicContact CG2-CB 3.7Å; T33-R46 HydrophobicContact CG2-CG 4.47Å; I34-R46 CarbonylContact O-C 3.5Å; I34-R46 WeakPolarHBondContact O-CA 3.48Å; I44-R46 HydrophobicContact CG2-CG 4.24Å; R46-F124 HydrophobicContact CB-CB 4.14Å; R46-F124 HydrophobicContact CB-CD2 4.44Å; R46-F124 PolarHBondContact N-O 3.21Å; R46-F124 PolarHBondContact O-N 3.05Å; R46-F124 VanDerWaalsContact O-N 3.17Å; R46-D472 IonicContact CZ-OD1 3.33Å; R46-D472 IonicContact CZ-OD2 3.65Å; R46-D472 IonicContact NH1-OD1 2.76Å; R46-D472 PolarHBondContact NH1-OD1 3.29Å; R46-D472 IonicContact NH1-OD2 3.06Å; R46-D472 VanDerWaalsContact NH2-CG 3.29Å; R46-D472 IonicContact NH2-OD1 3.42Å; R46-D472 PolarHBondContact NH2-OD1 2.97Å; R46-D472 IonicContact NH2-OD2 2.72Å; R46-D472 PolarHBondContact NH2-OD2 3.31Å
47I92.5Very high75.6Confident4 Ų466.9 Ų66.92%0.02136%0.355CS..EExtended strand (participates in β ladder)trans-105.2134.9-176.2-5897.5000109.7T33 I34 V36 L45 L96 L99 V116 V123T33-I47 CarbonylContact C-O 3.54Å; T33-I47 VanDerWaalsContact CA-O 3.27Å; T33-I47 WeakPolarHBondContact CA-O 3.35Å; I34-I47 HydrophobicContact CB-CB 4.46Å; I34-I47 PolarHBondContact N-O 3.44Å; I34-I47 PolarHBondContact O-N 3.48Å; V36-I47 HydrophobicContact CB-CD1 4.46Å; V36-I47 HydrophobicContact CG1-CD1 4.09Å; V36-I47 HydrophobicContact CG2-CD1 3.63Å; L45-I47 HydrophobicContact CB-CD1 4.03Å; I47-L96 HydrophobicContact CG2-CD2 4.01Å; I47-L99 HydrophobicContact CD1-CD2 3.77Å; I47-L99 HydrophobicContact CG1-CD2 3.91Å; I47-V116 HydrophobicContact CG2-CB 4.48Å; I47-V116 HydrophobicContact CG2-CG1 3.63Å; I47-V116 HydrophobicContact CG2-CG2 4.19Å; I47-V123 HydrophobicContact CG1-CG1 3.88Å
48R89.1Confident72.8Confident52 Ų5272.5 Ų72.520%0.19638%0.375CS..EExtended strand (participates in β ladder)trans-73.9141.2179.5-178.7172.2179.71495.9111.2N51 D117R48-N51 PolarHBondContact NH2-ND2 3.35Å; R48-D117 HydrophobicContact CB-CB 4.38Å; R48-D117 HydrophobicContact CG-CB 4.17Å; R48-D117 IonicContact NE-OD2 2.85Å; R48-D117 PolarHBondContact O-N 3.23Å
49K91.1Very high69.9Low3 Ų376.6 Ų76.61%0.01340%0.404CS..BIsolated β-bridgetrans-90.3153.3170.6-67.1-178.3171.5-170.30112.5E29 G30 N32 I34 K114 G115E29-K49 VanDerWaalsContact CD-NZ 3.35Å; E29-K49 WeakPolarHBondContact OE2-CE 3.31Å; E29-K49 IonicContact OE2-NZ 2.87Å; E29-K49 PolarHBondContact OE2-NZ 3.31Å; G30-K49 WeakPolarHBondContact O-CE 3.37Å; G30-K49 PolarHBondContact O-NZ 3.43Å; N32-K49 WeakPolarHBondContact O-CB 3.23Å; N32-K49 PolarHBondContact O-N 3.18Å; I34-K49 HydrophobicContact CD1-CG 4.11Å; I34-K49 HydrophobicContact CG1-CD 4.13Å; I34-K49 HydrophobicContact CG1-CG 3.74Å; K49-K114 HydrophobicContact CB-CB 4.14Å; K49-K114 HydrophobicContact CB-CD 4.35Å; K49-K114 HydrophobicContact CD-CB 4.14Å; K49-K114 HydrophobicContact CD-CD 4.41Å; K49-G115 CarbonylContact C-O 3.51Å; K49-G115 WeakPolarHBondContact CA-O 3.42Å
50T88.5Confident67.5Low43 Ų4381.1 Ų81.126%0.26442%0.417SS..PPolyproline II helixtrans-59.7137.5170.257.10000111.6V52 K114 G115 V116 D117T50-V52 PolarHBondContact O-N 2.83Å; T50-K114 WeakPolarHBondContact O-CD 3.37Å; T50-K114 WeakPolarHBondContact O-CG 3.36Å; T50-G115 PolarHBondContact N-O 3.19Å; T50-G115 PolarHBondContact OG1-N 3.43Å; T50-V116 WeakPolarHBondContact CG2-O 3.39Å; T50-D117 HydrophobicContact CG2-CB 4.43Å
51N72.7Confident65.1Low59 Ų5976.6 Ų76.632%0.31641%0.405SS..  trans-86.692.5166.9-75.6-30.5000109.3R48 G53R48-N51 PolarHBondContact NH2-ND2 3.35Å; N51-G53 PolarHBondContact O-N 3.36Å
52V57.5Low62.9Low104 Ų10482 Ų8263%0.6343%0.428SS*.THydrogen-bonded Turntrans-63.4119171.2-175.70000108.3T50 K114T50-V52 PolarHBondContact O-N 2.83Å; V52-K114 HydrophobicContact CG2-CG 4.17Å
53G47.2Very low61.1Low78 Ų7880.5 Ų80.580%0.80442%0.416SS*.THydrogen-bonded Turntrans91.115.6167.800000118.5N51N51-G53 PolarHBondContact O-N 3.36Å
54R37.2Very low59.2Low156 Ų15679.1 Ų79.159%0.58941%0.409SS*.SBendtrans-121.6128.2166.5-72.7-172.1-177.5-177.70.2110.7
55N29.6Very low57.1Low152 Ų15286.3 Ų86.381%0.81344%0.435SS*.  trans-46.2139.6-175.2-96.8-29.9000113.7Y57N55-Y57 VanDerWaalsContact C-N 3.3Å; N55-Y57 PolarHBondContact O-N 3.47Å
56V31.3Very low54.7Low138 Ų13887.1 Ų87.184%0.83644%0.44SS*.SBendtrans-73.672.1-173.4-174.70000110.5
57Y31.7Very low52.8Low220 Ų22088.1 Ų88.186%0.86345%0.446SS*.  trans-128.430.5171.1-94.8-82.1000113.3N55 S59N55-Y57 VanDerWaalsContact C-N 3.3Å; N55-Y57 PolarHBondContact O-N 3.47Å; Y57-S59 PolarHBondContact O-N 2.98Å
58W36.3Very low51Low125 Ų12588.4 Ų88.447%0.47345%0.448SS..  trans-88102.1167.5-65.492.1000108.5K60W58-K60 PolarHBondContact O-N 2.79Å
59S34.9Very low49.1Very low87 Ų8788.9 Ų88.961%0.60845%0.451SS*.  trans-57.2131.8177.362.90000111Y57 T63Y57-S59 PolarHBondContact O-N 2.98Å; S59-T63 PolarHBondContact O-OG1 2.8Å; S59-T63 PolarHBondContact OG-OG1 3.15Å
60K38.5Very low47.2Very low181 Ų18189.3 Ų89.379%0.78746%0.455SS*.THydrogen-bonded Turntrans-56.1133-175.7-63.8169.8177.1174.90112.1W58 H62W58-K60 PolarHBondContact O-N 2.79Å; K60-H62 VanDerWaalsContact C-N 3.27Å; K60-H62 PolarHBondContact O-N 3.21Å
61A39.6Very low46Very low43 Ų4388 Ų8836%0.35545%0.447SS..THydrogen-bonded Turntrans62.7-30.816500000120.3F122A61-F122 HydrophobicContact CB-CE2 3.77Å
62H41.5Very low45.7Very low152 Ų15286.6 Ų86.670%0.70444%0.439SS*.Hα-helixtrans-85.5-12.3-175.2-82.510.8000115.2K60 S66 K397K60-H62 VanDerWaalsContact C-N 3.27Å; K60-H62 PolarHBondContact O-N 3.21Å; H62-S66 PolarHBondContact O-OG 3.19Å; H62-S66 VanDerWaalsContact O-OG 3.09Å; H62-K397 PolarHBondContact O-NZ 2.92Å
63T49.5Very low46.4Very low19 Ų1987.8 Ų87.812%0.11743%0.432CS..Hα-helixtrans-82.7-24.5-176.7-23.80000112.3S59 S66 E67 E393S59-T63 PolarHBondContact O-OG1 2.8Å; S59-T63 PolarHBondContact OG-OG1 3.15Å; T63-S66 WeakPolarHBondContact CA-OG 3.44Å; T63-S66 PolarHBondContact O-OG 2.71Å; T63-E67 PolarHBondContact O-N 3.24Å; T63-E393 HydrophobicContact CG2-CB 4.46Å
64K53.1Low47.6Very low5 Ų584.6 Ų84.62%0.02240%0.396CS..Hα-helixtrans-88.3-35.5-171.7-70.4-150.2-173.5169.70116.6S66 E67 I68 L88 E120 F124K64-S66 PolarHBondContact O-N 3.16Å; K64-E67 PolarHBondContact O-N 3.5Å; K64-I68 PolarHBondContact O-N 3.36Å; K64-L88 HydrophobicContact CB-CD2 4.29Å; K64-E120 WeakPolarHBondContact CD-OE1 3.45Å; K64-E120 VanDerWaalsContact CE-OE1 3.24Å; K64-E120 WeakPolarHBondContact CE-OE1 3.23Å; K64-E120 WeakPolarHBondContact CE-OE2 3.39Å; K64-E120 IonicContact NZ-OE1 3.84Å; K64-E120 PolarHBondContact NZ-OE1 3.48Å; K64-E120 IonicContact NZ-OE2 3.19Å; K64-E120 PolarHBondContact NZ-OE2 3.2Å; K64-F124 HydrophobicContact CD-CZ 4.28Å
65R50.2Low49.5Very low164 Ų16478.2 Ų78.262%0.61937%0.373SS*.Hα-helixtrans-52.7-45.6168.9-85-173.1177.1167.3-1.9109.1E67 I68 F69 L88R65-E67 PolarHBondContact O-N 3.12Å; R65-I68 PolarHBondContact O-N 2.72Å; R65-F69 HydrophobicContact CB-CD2 4.31Å; R65-F69 WeakPolarHBondContact O-CB 3.4Å; R65-F69 WeakPolarHBondContact O-CD2 3.17Å; R65-F69 PolarHBondContact O-N 3.3Å; R65-L88 HydrophobicContact CG-CD2 3.97Å
66S43.3Very low51.8Low16 Ų1675.5 Ų75.511%0.11236%0.359CS..Hα-helixtrans-65.1-31.3175.731.60000115.7H62 T63 K64 A70 K397H62-S66 PolarHBondContact O-OG 3.19Å; H62-S66 VanDerWaalsContact O-OG 3.09Å; T63-S66 WeakPolarHBondContact CA-OG 3.44Å; T63-S66 PolarHBondContact O-OG 2.71Å; K64-S66 PolarHBondContact O-N 3.16Å; S66-A70 WeakPolarHBondContact O-CB 3.5Å; S66-A70 PolarHBondContact O-N 3.2Å; S66-K397 WeakPolarHBondContact OG-CE 3.48Å; S66-K397 PolarHBondContact OG-NZ 2.86Å
67E54Low54.2Low49 Ų4971.4 Ų71.423%0.22933%0.33CS..Hα-helixtrans-62.5-44.3172.2-75.9170.1-171.500110.4T63 K64 R65 N71T63-E67 PolarHBondContact O-N 3.24Å; K64-E67 PolarHBondContact O-N 3.5Å; R65-E67 PolarHBondContact O-N 3.12Å; E67-N71 WeakPolarHBondContact O-CB 3.37Å; E67-N71 PolarHBondContact O-N 3.09Å; E67-N71 PolarHBondContact O-ND2 3.06Å
68I53.7Low56.7Low10 Ų1060.9 Ų60.95%0.05129%0.289CS..Hα-helixtrans-69.7-41.2177.7-52.3172.8000112.1L7 K64 R65 N71 Q72 L88 F124L7-I68 HydrophobicContact CD1-CB 4.32Å; L7-I68 HydrophobicContact CD1-CG2 3.57Å; K64-I68 PolarHBondContact O-N 3.36Å; R65-I68 PolarHBondContact O-N 2.72Å; I68-N71 WeakPolarHBondContact O-CA 3.5Å; I68-N71 WeakPolarHBondContact O-CB 3.31Å; I68-N71 PolarHBondContact O-N 3.34Å; I68-Q72 PolarHBondContact O-N 2.76Å; I68-L88 HydrophobicContact CD1-CB 3.64Å; I68-L88 HydrophobicContact CD1-CD1 4.24Å; I68-L88 HydrophobicContact CD1-CD2 4.25Å; I68-L88 HydrophobicContact CD1-CG 4.26Å; I68-F124 HydrophobicContact CD1-CD1 3.67Å; I68-F124 HydrophobicContact CD1-CE1 3.39Å; I68-F124 HydrophobicContact CG1-CD1 4.05Å; I68-F124 HydrophobicContact CG1-CE1 3.41Å; I68-F124 VanDerWaalsContact CG1-CE1 3.41Å; I68-F124 HydrophobicContact CG1-CZ 4.45Å
69F50Low59Low62 Ų6255 Ų5527%0.27227%0.266SS..Hα-helixtrans-72.3-41.7-177.5-87.7-64.7000111.8L7 R65 N71 Q72 Q400L7-F69 HydrophobicContact CB-CZ 4.05Å; L7-F69 HydrophobicContact CD1-CD1 4.33Å; L7-F69 HydrophobicContact CD1-CD2 4.43Å; L7-F69 HydrophobicContact CD1-CE1 3.94Å; L7-F69 HydrophobicContact CD1-CE2 4.02Å; L7-F69 HydrophobicContact CD1-CZ 3.76Å; L7-F69 HydrophobicContact CG-CE1 4.46Å; L7-F69 HydrophobicContact CG-CZ 4.32Å; R65-F69 HydrophobicContact CB-CD2 4.31Å; R65-F69 WeakPolarHBondContact O-CB 3.4Å; R65-F69 WeakPolarHBondContact O-CD2 3.17Å; R65-F69 PolarHBondContact O-N 3.3Å; F69-N71 PolarHBondContact O-N 3.01Å; F69-Q72 PolarHBondContact O-N 3.2Å; F69-Q400 PolarHBondContact O-NE2 2.75Å
70A50.8Low61.3Low12 Ų1253.6 Ų53.610%0.09926%0.257CS..Hα-helixtrans-62.4-34.9169.100000111.3S66 Q72 L396S66-A70 WeakPolarHBondContact O-CB 3.5Å; S66-A70 PolarHBondContact O-N 3.2Å; A70-Q72 PolarHBondContact O-N 3.24Å; A70-L396 HydrophobicContact CB-CB 3.99Å; A70-L396 HydrophobicContact CB-CD1 4.29Å
71N63.3Low63.5Low16 Ų1647.4 Ų47.49%0.08623%0.231CC..Hα-helixtrans-59-44.1172.7-85.2-30.3000112.2E67 I68 F69 R73 I74 L75 P473E67-N71 WeakPolarHBondContact O-CB 3.37Å; E67-N71 PolarHBondContact O-N 3.09Å; E67-N71 PolarHBondContact O-ND2 3.06Å; I68-N71 WeakPolarHBondContact O-CA 3.5Å; I68-N71 WeakPolarHBondContact O-CB 3.31Å; I68-N71 PolarHBondContact O-N 3.34Å; F69-N71 PolarHBondContact O-N 3.01Å; N71-R73 VanDerWaalsContact C-N 3.3Å; N71-R73 PolarHBondContact O-N 2.93Å; N71-R73 VanDerWaalsContact O-N 3.14Å; N71-I74 CarbonylContact O-C 3.56Å; N71-I74 WeakPolarHBondContact O-CA 3.43Å; N71-I74 WeakPolarHBondContact O-CB 3.43Å; N71-I74 PolarHBondContact O-N 3.22Å; N71-L75 HydrophobicContact CB-CD1 3.83Å; N71-L75 HydrophobicContact CB-CG 3.96Å; N71-L75 WeakPolarHBondContact O-CB 3.46Å; N71-L75 WeakPolarHBondContact O-CG 3.49Å; N71-L75 PolarHBondContact O-N 3.45Å; N71-P473 VanDerWaalsContact ND2-CD 3.33Å; N71-P473 WeakPolarHBondContact ND2-CD 3.26Å; N71-P473 WeakPolarHBondContact OD1-CD 3.3Å; N71-P473 WeakPolarHBondContact OD1-CG 3.38Å
72Q67.5Low65.9Low30 Ų3045.4 Ų45.414%0.1421%0.214CC..Hα-helixtrans-52.1-45.5-172.3-77.7-175.6-2000113.3P5 I68 F69 A70 I74 L75 L76P5-Q72 PolarHBondContact O-NE2 3.05Å; I68-Q72 PolarHBondContact O-N 2.76Å; F69-Q72 PolarHBondContact O-N 3.2Å; A70-Q72 PolarHBondContact O-N 3.24Å; Q72-I74 VanDerWaalsContact C-N 3.3Å; Q72-I74 PolarHBondContact O-N 3.38Å; Q72-L75 PolarHBondContact O-N 3.34Å; Q72-L76 VanDerWaalsContact O-CG 3.24Å; Q72-L76 WeakPolarHBondContact O-CG 3.34Å; Q72-L76 PolarHBondContact O-N 3.03Å
73R70.8Confident68.2Low129 Ų12939.9 Ų39.949%0.48719%0.19SC..Hα-helixtrans-60-40.3175.3-173.8179.878.6147.80.5112.6N71 E421N71-R73 VanDerWaalsContact C-N 3.3Å; N71-R73 PolarHBondContact O-N 2.93Å; N71-R73 VanDerWaalsContact O-N 3.14Å; R73-E421 IonicContact CZ-OE1 3.04Å; R73-E421 IonicContact NH2-OE1 3.49Å; R73-E421 PolarHBondContact NH2-OE1 2.82Å; R73-E421 IonicContact NH2-OE2 2.78Å; R73-E421 PolarHBondContact NH2-OE2 3.48Å
74I72.7Confident69.9Low10 Ų1041.1 Ų41.15%0.05119%0.192CC..Hα-helixtrans-72.4-42.5-179.8-64.1172.9000110.9N71 Q72 L76 Q77 I425 I428N71-I74 CarbonylContact O-C 3.56Å; N71-I74 WeakPolarHBondContact O-CA 3.43Å; N71-I74 WeakPolarHBondContact O-CB 3.43Å; N71-I74 PolarHBondContact O-N 3.22Å; Q72-I74 VanDerWaalsContact C-N 3.3Å; Q72-I74 PolarHBondContact O-N 3.38Å; I74-L76 PolarHBondContact O-N 2.99Å; I74-Q77 WeakPolarHBondContact O-CB 3.29Å; I74-Q77 WeakPolarHBondContact O-CG 3.1Å; I74-Q77 PolarHBondContact O-N 3.36Å; I74-I425 HydrophobicContact CB-CD1 4.42Å; I74-I425 HydrophobicContact CB-CG1 4.42Å; I74-I425 HydrophobicContact CD1-CD1 4.37Å; I74-I425 HydrophobicContact CD1-CG1 4.16Å; I74-I425 HydrophobicContact CG1-CD1 3.83Å; I74-I425 HydrophobicContact CG1-CG1 4.02Å; I74-I425 HydrophobicContact CG2-CB 4.25Å; I74-I425 HydrophobicContact CG2-CD1 4.1Å; I74-I425 HydrophobicContact CG2-CG1 3.68Å; I74-I425 HydrophobicContact CG2-CG2 3.79Å; I74-I428 HydrophobicContact CG2-CD1 4.01Å
75L77.2Confident71.3Confident22 Ų2245 Ų4512%0.11522%0.22CC..Hα-helixtrans-67.4-37.2-177.1-65179000111.1N71 Q72 Q77 F78 L83 L471N71-L75 HydrophobicContact CB-CD1 3.83Å; N71-L75 HydrophobicContact CB-CG 3.96Å; N71-L75 WeakPolarHBondContact O-CB 3.46Å; N71-L75 WeakPolarHBondContact O-CG 3.49Å; N71-L75 PolarHBondContact O-N 3.45Å; Q72-L75 PolarHBondContact O-N 3.34Å; L75-Q77 PolarHBondContact O-N 2.98Å; L75-F78 WeakPolarHBondContact O-CB 3.47Å; L75-F78 WeakPolarHBondContact O-CD2 3.45Å; L75-F78 PolarHBondContact O-N 3.15Å; L75-L83 HydrophobicContact CB-CD1 3.7Å; L75-L83 HydrophobicContact CB-CD2 4.13Å; L75-L83 WeakPolarHBondContact O-CD1 3.31Å; L75-L471 HydrophobicContact CD2-CB 3.38Å; L75-L471 HydrophobicContact CD2-CD1 3.53Å; L75-L471 HydrophobicContact CD2-CG 4.02Å
76L77.5Confident72.8Confident96 Ų9639.4 Ų39.450%0.50320%0.202SC..G310 helixtrans-58.7-19.9178.1-74171.5000113.2Q72 I74 F78 G79Q72-L76 VanDerWaalsContact O-CG 3.24Å; Q72-L76 WeakPolarHBondContact O-CG 3.34Å; Q72-L76 PolarHBondContact O-N 3.03Å; I74-L76 PolarHBondContact O-N 2.99Å; L76-F78 PolarHBondContact O-N 2.95Å; L76-G79 PolarHBondContact O-N 3.17Å; L76-G79 VanDerWaalsContact O-N 3.14Å
77Q81.1Confident74.7Confident51 Ų5140.7 Ų40.724%0.23821%0.206CC..G310 helixtrans-64.7-23.7173.7-57.4-172.613.900113.5I74 L75 G79 V363I74-Q77 WeakPolarHBondContact O-CB 3.29Å; I74-Q77 WeakPolarHBondContact O-CG 3.1Å; I74-Q77 PolarHBondContact O-N 3.36Å; L75-Q77 PolarHBondContact O-N 2.98Å; Q77-G79 VanDerWaalsContact C-N 3.34Å; Q77-V363 HydrophobicContact CB-CG2 3.95Å; Q77-V363 WeakPolarHBondContact O-CG2 3.09Å
78F85.2Confident76.1Confident0 Ų039.7 Ų39.70%020%0.202CC..G310 helixtrans-81.7-14.5177.2-66.4-88.8000113.1L75 L76 F82 L83 R359 I360 V363 I428 A429 I468 L471L75-F78 WeakPolarHBondContact O-CB 3.47Å; L75-F78 WeakPolarHBondContact O-CD2 3.45Å; L75-F78 PolarHBondContact O-N 3.15Å; L76-F78 PolarHBondContact O-N 2.95Å; F78-F82 WeakPolarHBondContact O-CD2 3.24Å; F78-L83 HydrophobicContact CB-CD2 4.35Å; F78-R359 WeakPolarHBondContact O-CB 3.11Å; F78-I360 HydrophobicContact CD1-CG1 4.37Å; F78-V363 HydrophobicContact CD1-CB 4.41Å; F78-V363 HydrophobicContact CD1-CG2 4.03Å; F78-V363 HydrophobicContact CE1-CB 4.04Å; F78-V363 HydrophobicContact CE1-CG1 4.02Å; F78-V363 HydrophobicContact CE1-CG2 4.15Å; F78-V363 HydrophobicContact CE2-CG1 4.07Å; F78-V363 HydrophobicContact CG-CG2 4.26Å; F78-V363 HydrophobicContact CZ-CB 4.26Å; F78-V363 HydrophobicContact CZ-CG1 3.7Å; F78-V363 HydrophobicContact CZ-CG2 4.46Å; F78-I428 HydrophobicContact CZ-CG2 4.36Å; F78-A429 HydrophobicContact CE1-CB 3.63Å; F78-A429 HydrophobicContact CZ-CB 3.69Å; F78-I468 HydrophobicContact CB-CD1 3.91Å; F78-I468 HydrophobicContact CD1-CD1 3.78Å; F78-I468 HydrophobicContact CD1-CG2 4.42Å; F78-I468 HydrophobicContact CG-CD1 4.22Å; F78-L471 HydrophobicContact CD2-CD1 4.41Å; F78-L471 HydrophobicContact CD2-CD2 4.34Å; F78-L471 HydrophobicContact CE1-CD2 4.01Å; F78-L471 HydrophobicContact CE2-CD2 3.79Å; F78-L471 HydrophobicContact CZ-CD2 3.59Å
79G84.2Confident77.7Confident0 Ų039.3 Ų39.30%020%0.2CC..  trans92.8128.8-172.800000112.4L76 Q77 Q81 F82 D306L76-G79 PolarHBondContact O-N 3.17Å; L76-G79 VanDerWaalsContact O-N 3.14Å; Q77-G79 VanDerWaalsContact C-N 3.34Å; G79-Q81 PolarHBondContact O-N 3.37Å; G79-F82 PolarHBondContact O-N 3.16Å; G79-F82 VanDerWaalsContact O-N 3.14Å; G79-D306 WeakPolarHBondContact CA-OD2 3.35Å
80S83.4Confident79.6Confident58 Ų5842.6 Ų42.641%0.40621%0.214SC..G310 helixtrans-58.8-34.5-171.755.60000113.2F82 L83 D306S80-F82 PolarHBondContact O-N 2.94Å; S80-L83 PolarHBondContact O-N 2.97Å; S80-L83 VanDerWaalsContact O-N 3.14Å; S80-D306 PolarHBondContact N-OD1 3.3Å; S80-D306 PolarHBondContact OG-OD1 3.39Å
81Q85.3Confident81.5Confident52 Ų5242.8 Ų42.824%0.24321%0.214CC..G310 helixtrans-59.2-26.8178.569.5-152.826.800115G79 F301 D302G79-Q81 PolarHBondContact O-N 3.37Å; Q81-F301 VanDerWaalsContact NE2-CB 3.31Å; Q81-D302 PolarHBondContact OE1-O 3.5Å
82F90.5Very high82.8Confident1 Ų144.4 Ų44.40%0.00423%0.226CC..G310 helixtrans-96.2-3.7-178.5-61.3-56.4000112.9F78 G79 S80 F301 I356 R359 C466 A467 I468F78-F82 WeakPolarHBondContact O-CD2 3.24Å; G79-F82 PolarHBondContact O-N 3.16Å; G79-F82 VanDerWaalsContact O-N 3.14Å; S80-F82 PolarHBondContact O-N 2.94Å; F82-F301 AromaticContact CE1-CD2 3.54Å; F82-F301 HydrophobicContact CE1-CD2 3.54Å; F82-F301 AromaticContact CE1-CE2 3.68Å; F82-F301 HydrophobicContact CE1-CE2 3.68Å; F82-F301 HydrophobicContact CE1-CG 4.09Å; F82-F301 HydrophobicContact CE1-CZ 4.32Å; F82-F301 HydrophobicContact CZ-CB 4.36Å; F82-F301 AromaticContact CZ-CD2 3.56Å; F82-F301 HydrophobicContact CZ-CD2 3.56Å; F82-F301 HydrophobicContact CZ-CE2 4.11Å; F82-F301 HydrophobicContact CZ-CG 4.12Å; F82-I356 HydrophobicContact CD1-CB 4.31Å; F82-I356 HydrophobicContact CD1-CD1 3.8Å; F82-I356 HydrophobicContact CD1-CG1 4.17Å; F82-I356 HydrophobicContact CE1-CB 3.8Å; F82-I356 HydrophobicContact CE1-CD1 4.1Å; F82-I356 HydrophobicContact CE1-CG1 4.17Å; F82-I356 HydrophobicContact CE2-CB 4.36Å; F82-I356 HydrophobicContact CG-CD1 4.25Å; F82-I356 HydrophobicContact CG-CG1 4.39Å; F82-I356 HydrophobicContact CZ-CB 3.81Å; F82-I356 HydrophobicContact CZ-CG1 4.38Å; F82-R359 HydrophobicContact CD2-CG 4.19Å; F82-R359 HydrophobicContact CE2-CB 4.31Å; F82-R359 HydrophobicContact CE2-CG 3.67Å; F82-C466 HydrophobicContact CD1-CB 3.88Å; F82-C466 HydrophobicContact CE1-CB 3.87Å; F82-A467 CarbonylContact O-C 3.51Å; F82-A467 VanDerWaalsContact O-CA 3.28Å; F82-A467 WeakPolarHBondContact O-CA 3.43Å; F82-I468 HydrophobicContact CB-CD1 3.76Å; F82-I468 HydrophobicContact CB-CG1 3.93Å; F82-I468 HydrophobicContact CD2-CD1 4.41Å; F82-I468 HydrophobicContact CG-CD1 4.24Å; F82-I468 PolarHBondContact O-N 2.74Å
83L88.3Confident84Confident36 Ų3645 Ų4519%0.18823%0.233CC..PPolyproline II helixtrans-94.9145.8-179.2-57.5175.8000110.3L75 F78 S80 L471L75-L83 HydrophobicContact CB-CD1 3.7Å; L75-L83 HydrophobicContact CB-CD2 4.13Å; L75-L83 WeakPolarHBondContact O-CD1 3.31Å; F78-L83 HydrophobicContact CB-CD2 4.35Å; S80-L83 PolarHBondContact O-N 2.97Å; S80-L83 VanDerWaalsContact O-N 3.14Å; L83-L471 HydrophobicContact CD2-CD1 3.54Å
84R85.2Confident85.1Confident45 Ų4542.3 Ų42.317%0.1723%0.231CC..PPolyproline II helixtrans-99.7144.3166.4-59.8-54.7-168-161.2-3.9109.3I86 T126 S127 S465 A467R84-I86 PolarHBondContact O-N 2.86Å; R84-T126 VanDerWaalsContact CB-OG1 3.31Å; R84-T126 WeakPolarHBondContact CB-OG1 3.34Å; R84-S127 WeakPolarHBondContact CD-OG 3.47Å; R84-S465 PolarHBondContact NH2-OG 3.41Å; R84-A467 HydrophobicContact CG-CB 4.22Å
85S82.8Confident86.2Confident87 Ų8742.5 Ų42.561%0.60823%0.231SC*.PPolyproline II helixtrans-60.5132.1169.8-58.90000109.6T126S85-T126 WeakPolarHBondContact O-CA 3.27Å; S85-T126 WeakPolarHBondContact O-CB 3.44Å; S85-T126 PolarHBondContact O-OG1 3.43Å
86I82.7Confident87.1Confident45 Ų4541.5 Ų41.523%0.23123%0.226CC..EExtended strand (participates in β ladder)trans-120.4118.1178.5-61.3171.3000107.6L7 R84 F124 V125L7-I86 WeakPolarHBondContact CD2-O 3.32Å; R84-I86 PolarHBondContact O-N 2.86Å; I86-F124 HydrophobicContact CG2-CB 3.82Å; I86-F124 HydrophobicContact CG2-CD1 3.71Å; I86-F124 HydrophobicContact CG2-CG 4.19Å; I86-V125 CarbonylContact C-O 3.49Å; I86-V125 WeakPolarHBondContact CA-O 3.49Å
87H82.6Confident88Confident43 Ų4342.8 Ų42.820%0.19923%0.225CC..EExtended strand (participates in β ladder)trans-105.3137.8178.9-56.3-84.6000110.2N8 P10 I89 F124 V125N8-H87 PolarHBondContact O-ND1 3.22Å; P10-H87 HydrophobicContact CG-CB 4.34Å; H87-I89 HydrophobicContact CB-CG1 4.3Å; H87-F124 CarbonylContact O-C 3.57Å; H87-F124 WeakPolarHBondContact O-CA 3.04Å; H87-V125 PolarHBondContact N-O 3.44Å; H87-V125 PolarHBondContact O-N 2.99Å
88L84.3Confident88.7Confident28 Ų2844.8 Ų44.815%0.14723%0.234CC..EExtended strand (participates in β ladder)trans-94.6111.1173-16965.8000109K64 R65 I68 F122 F124K64-L88 HydrophobicContact CB-CD2 4.29Å; R65-L88 HydrophobicContact CG-CD2 3.97Å; I68-L88 HydrophobicContact CD1-CB 3.64Å; I68-L88 HydrophobicContact CD1-CD1 4.24Å; I68-L88 HydrophobicContact CD1-CD2 4.25Å; I68-L88 HydrophobicContact CD1-CG 4.26Å; L88-F122 HydrophobicContact CD1-CB 3.64Å; L88-F122 HydrophobicContact CD1-CG 4.37Å; L88-F122 HydrophobicContact CD2-CB 4.44Å; L88-F122 HydrophobicContact CD2-CD1 4.13Å; L88-F122 HydrophobicContact CD2-CG 4.33Å; L88-F122 HydrophobicContact CG-CB 3.96Å; L88-F122 HydrophobicContact CG-CD1 3.88Å; L88-F122 HydrophobicContact CG-CG 4.18Å; L88-F124 HydrophobicContact CD1-CD1 3.92Å; L88-F124 HydrophobicContact CD1-CE1 3.89Å; L88-F124 HydrophobicContact CD1-CG 4.4Å; L88-F124 HydrophobicContact CD1-CZ 4.34Å
89I87.3Confident89.3Confident3 Ų344.8 Ų44.82%0.01523%0.234CC..EExtended strand (participates in β ladder)trans-110.9128.9-176.5-54.2-168.4000109.3V13 L18 F19 H87 F122 V123 V125V13-I89 HydrophobicContact CG1-CD1 4.26Å; L18-I89 HydrophobicContact CD2-CD1 3.68Å; L18-I89 HydrophobicContact CD2-CG2 4.26Å; F19-I89 HydrophobicContact CE2-CG2 3.85Å; F19-I89 HydrophobicContact CZ-CB 4.31Å; F19-I89 HydrophobicContact CZ-CG2 3.66Å; H87-I89 HydrophobicContact CB-CG1 4.3Å; I89-F122 WeakPolarHBondContact O-CA 3.34Å; I89-V123 HydrophobicContact CB-CG2 4.46Å; I89-V123 PolarHBondContact N-O 3.43Å; I89-V123 PolarHBondContact O-N 3.05Å; I89-V125 HydrophobicContact CB-CG2 4.19Å; I89-V125 HydrophobicContact CD1-CB 3.96Å; I89-V125 HydrophobicContact CD1-CG1 4.37Å; I89-V125 HydrophobicContact CD1-CG2 3.69Å; I89-V125 HydrophobicContact CG1-CB 4.3Å; I89-V125 HydrophobicContact CG1-CG2 3.87Å
90K88.7Confident89.8Confident131 Ų13147.1 Ų47.157%0.5725%0.245SC*.EExtended strand (participates in β ladder)trans-68.2136.2175.5-168179.6179-175.80110.1N121 F122K90-N121 CarbonylContact C-O 3.5Å; K90-N121 WeakPolarHBondContact CA-O 3.3Å; K90-F122 HydrophobicContact CB-CD1 3.94Å; K90-F122 HydrophobicContact CB-CE1 3.67Å; K90-F122 HydrophobicContact CB-CZ 4.43Å; K90-F122 HydrophobicContact CD-CE1 4.47Å; K90-F122 HydrophobicContact CD-CZ 4.48Å; K90-F122 HydrophobicContact CG-CD1 4.35Å; K90-F122 HydrophobicContact CG-CE1 3.92Å; K90-F122 HydrophobicContact CG-CZ 4.18Å
91T90Very high90.4Very high16 Ų1652.2 Ų52.210%0.09826%0.26CS..  trans-129-171.6175.8-169.50000110.6F95 L96 N121 V123T91-F95 HydrophobicContact CG2-CD1 4.46Å; T91-F95 WeakPolarHBondContact OG1-CD1 2.98Å; T91-L96 HydrophobicContact CG2-CD1 3.89Å; T91-L96 HydrophobicContact CG2-CD2 4Å; T91-L96 HydrophobicContact CG2-CG 3.85Å; T91-N121 PolarHBondContact N-O 3.44Å; T91-N121 WeakPolarHBondContact O-CB 3.49Å; T91-V123 HydrophobicContact CG2-CG1 4.01Å
92S91.5Very high91Very high49 Ų4952.1 Ų52.134%0.34327%0.265SS..  trans-118150.4178.174.70000112T94 F95 L96S92-T94 PolarHBondContact O-N 3.24Å; S92-F95 PolarHBondContact O-N 2.92Å; S92-F95 WeakPolarHBondContact OG-CB 3.33Å; S92-F95 PolarHBondContact OG-N 3.45Å; S92-L96 WeakPolarHBondContact O-CG 3.17Å; S92-L96 PolarHBondContact O-N 3.33Å; S92-L96 VanDerWaalsContact O-N 3.07Å
93P92.2Very high91.2Very high44 Ų4452.1 Ų52.129%0.28627%0.265SS..Hα-helixtrans-58.7-26.8170.7-20.929.1000113.3R97 N121P93-R97 WeakPolarHBondContact O-CB 3.45Å; P93-R97 VanDerWaalsContact O-CG 3.31Å; P93-R97 WeakPolarHBondContact O-CG 3.42Å; P93-R97 PolarHBondContact O-N 2.83Å; P93-R97 VanDerWaalsContact O-N 3.12Å; P93-R97 PolarHBondContact O-NE 2.73Å; P93-R97 VanDerWaalsContact O-NE 3.11Å; P93-N121 VanDerWaalsContact CD-OD1 3.27Å; P93-N121 WeakPolarHBondContact CD-OD1 3.43Å; P93-N121 VanDerWaalsContact CG-OD1 3.24Å; P93-N121 WeakPolarHBondContact CG-OD1 3.01Å
94T95.1Very high91.5Very high71 Ų7154.2 Ų54.244%0.43627%0.273SS..Hα-helixtrans-67.8-53.1176.9-56.70000110.4S92 L96 R97 E98S92-T94 PolarHBondContact O-N 3.24Å; T94-L96 VanDerWaalsContact C-N 3.3Å; T94-L96 PolarHBondContact O-N 3.16Å; T94-R97 PolarHBondContact O-N 2.96Å; T94-R97 VanDerWaalsContact O-N 3.16Å; T94-E98 WeakPolarHBondContact O-CG 3.43Å; T94-E98 PolarHBondContact O-N 2.8Å
95F95.4Very high92Very high14 Ų1456.3 Ų56.36%0.06129%0.293CS..Hα-helixtrans-54.9-46.1174.3165.9-96000111.6F19 L21 L24 L45 T91 S92 R97 E98 L99F19-F95 HydrophobicContact CB-CD2 4Å; F19-F95 HydrophobicContact CB-CE2 3.8Å; F19-F95 HydrophobicContact CB-CZ 4.3Å; F19-F95 HydrophobicContact CD1-CD1 4.25Å; F19-F95 HydrophobicContact CD1-CD2 4.45Å; F19-F95 AromaticContact CD1-CE1 3.72Å; F19-F95 HydrophobicContact CD1-CE1 3.72Å; F19-F95 AromaticContact CD1-CE2 3.96Å; F19-F95 HydrophobicContact CD1-CE2 3.96Å; F19-F95 AromaticContact CD1-CZ 3.56Å; F19-F95 HydrophobicContact CD1-CZ 3.56Å; F19-F95 HydrophobicContact CE1-CE1 4.16Å; F19-F95 HydrophobicContact CE1-CZ 4.37Å; F19-F95 HydrophobicContact CG-CE2 4.33Å; F19-F95 HydrophobicContact CG-CZ 4.37Å; F19-F95 VanDerWaalsContact O-CE2 3.27Å; F19-F95 WeakPolarHBondContact O-CE2 3.37Å; L21-F95 HydrophobicContact CD2-CD2 4.08Å; L21-F95 HydrophobicContact CD2-CE2 3.74Å; L21-F95 HydrophobicContact CG-CD2 4.5Å; L21-F95 HydrophobicContact CG-CE2 4.36Å; L24-F95 HydrophobicContact CD1-CE2 3.84Å; L24-F95 HydrophobicContact CD1-CZ 3.64Å; L45-F95 HydrophobicContact CD2-CZ 4.37Å; T91-F95 HydrophobicContact CG2-CD1 4.46Å; T91-F95 WeakPolarHBondContact OG1-CD1 2.98Å; S92-F95 PolarHBondContact O-N 2.92Å; S92-F95 WeakPolarHBondContact OG-CB 3.33Å; S92-F95 PolarHBondContact OG-N 3.45Å; F95-R97 VanDerWaalsContact C-N 3.31Å; F95-R97 PolarHBondContact O-N 2.86Å; F95-E98 PolarHBondContact O-N 3.2Å; F95-L99 HydrophobicContact CE1-CB 4.39Å; F95-L99 HydrophobicContact CE1-CD2 3.88Å; F95-L99 HydrophobicContact CZ-CB 4.3Å; F95-L99 HydrophobicContact CZ-CD2 3.95Å; F95-L99 HydrophobicContact CZ-CG 4.49Å; F95-L99 VanDerWaalsContact O-CB 3.29Å; F95-L99 WeakPolarHBondContact O-CB 3.34Å; F95-L99 PolarHBondContact O-N 3.04Å
96L95.4Very high92.6Very high2 Ų258.8 Ų58.81%0.0129%0.293CS..Hα-helixtrans-63.2-36.5-178.6-70.9176.4000113I47 T91 S92 T94 E100 V116 L118 E120 V123I47-L96 HydrophobicContact CG2-CD2 4.01Å; T91-L96 HydrophobicContact CG2-CD1 3.89Å; T91-L96 HydrophobicContact CG2-CD2 4Å; T91-L96 HydrophobicContact CG2-CG 3.85Å; S92-L96 WeakPolarHBondContact O-CG 3.17Å; S92-L96 PolarHBondContact O-N 3.33Å; S92-L96 VanDerWaalsContact O-N 3.07Å; T94-L96 VanDerWaalsContact C-N 3.3Å; T94-L96 PolarHBondContact O-N 3.16Å; L96-E100 WeakPolarHBondContact O-CB 2.96Å; L96-E100 PolarHBondContact O-N 3.07Å; L96-V116 HydrophobicContact CB-CG1 3.98Å; L96-V116 HydrophobicContact CD2-CG1 4.14Å; L96-V116 HydrophobicContact CG-CG1 4.45Å; L96-L118 HydrophobicContact CB-CD2 3.75Å; L96-E120 WeakPolarHBondContact CD1-O 3.47Å; L96-V123 HydrophobicContact CD2-CG1 4.22Å
97R96.1Very high93.1Very high123 Ų12357.3 Ų57.346%0.46429%0.285SS..Hα-helixtrans-67.1-41.6174.2-79.3-179.9-72.9-163.75.1112.2P93 T94 F95 E100 K101 L118P93-R97 WeakPolarHBondContact O-CB 3.45Å; P93-R97 VanDerWaalsContact O-CG 3.31Å; P93-R97 WeakPolarHBondContact O-CG 3.42Å; P93-R97 PolarHBondContact O-N 2.83Å; P93-R97 VanDerWaalsContact O-N 3.12Å; P93-R97 PolarHBondContact O-NE 2.73Å; P93-R97 VanDerWaalsContact O-NE 3.11Å; T94-R97 PolarHBondContact O-N 2.96Å; T94-R97 VanDerWaalsContact O-N 3.16Å; F95-R97 VanDerWaalsContact C-N 3.31Å; F95-R97 PolarHBondContact O-N 2.86Å; R97-E100 PolarHBondContact O-N 3.19Å; R97-K101 WeakPolarHBondContact O-CG 3.15Å; R97-K101 PolarHBondContact O-N 2.98Å; R97-K101 VanDerWaalsContact O-N 3.16Å; R97-L118 HydrophobicContact CG-CD1 3.44Å; R97-L118 VanDerWaalsContact CG-CD1 3.44Å; R97-L118 HydrophobicContact CG-CD2 3.61Å; R97-L118 HydrophobicContact CG-CG 4.17Å
98E96.8Very high93.5Very high93 Ų9357.2 Ų57.244%0.43529%0.288SS..Hα-helixtrans-69.5-41.3178.5-66.7170.1164.600111.3L21 T94 F95 K101 S102L21-E98 HydrophobicContact CD1-CB 3.53Å; L21-E98 HydrophobicContact CD1-CG 4.47Å; L21-E98 HydrophobicContact CD2-CB 4.44Å; T94-E98 WeakPolarHBondContact O-CG 3.43Å; T94-E98 PolarHBondContact O-N 2.8Å; F95-E98 PolarHBondContact O-N 3.2Å; E98-K101 PolarHBondContact O-N 3.18Å; E98-S102 WeakPolarHBondContact O-CB 3.26Å; E98-S102 PolarHBondContact O-N 3Å
99L96.6Very high93.8Very high0 Ų059.9 Ų59.90%031%0.314CS..Hα-helixtrans-58.5-48172.3-179.366.3000111L21 L24 V36 I47 F95 K101 S102 I103L21-L99 HydrophobicContact CD2-CB 3.92Å; L21-L99 HydrophobicContact CD2-CD1 4.1Å; L24-L99 HydrophobicContact CB-CD1 4.27Å; L24-L99 HydrophobicContact CD1-CD1 3.84Å; V36-L99 HydrophobicContact CG1-CD1 4.37Å; I47-L99 HydrophobicContact CD1-CD2 3.77Å; I47-L99 HydrophobicContact CG1-CD2 3.91Å; F95-L99 HydrophobicContact CE1-CB 4.39Å; F95-L99 HydrophobicContact CE1-CD2 3.88Å; F95-L99 HydrophobicContact CZ-CB 4.3Å; F95-L99 HydrophobicContact CZ-CD2 3.95Å; F95-L99 HydrophobicContact CZ-CG 4.49Å; F95-L99 VanDerWaalsContact O-CB 3.29Å; F95-L99 WeakPolarHBondContact O-CB 3.34Å; F95-L99 PolarHBondContact O-N 3.04Å; L99-K101 VanDerWaalsContact C-N 3.3Å; L99-K101 PolarHBondContact O-N 3.45Å; L99-S102 PolarHBondContact O-N 3.22Å; L99-I103 HydrophobicContact CD1-CG2 3.94Å; L99-I103 HydrophobicContact CG-CD1 4.43Å; L99-I103 HydrophobicContact CG-CG2 4.47Å; L99-I103 VanDerWaalsContact O-CG1 3.31Å; L99-I103 WeakPolarHBondContact O-CG1 2.8Å; L99-I103 WeakPolarHBondContact O-CG2 3.48Å; L99-I103 PolarHBondContact O-N 3.33Å
100E95.9Very high93.8Very high48 Ų4866.4 Ų66.422%0.22434%0.339CS..Hα-helixtrans-56.6-44.4178.1-177.9164.4-142.300111.9L96 R97 E104 G115 V116L96-E100 WeakPolarHBondContact O-CB 2.96Å; L96-E100 PolarHBondContact O-N 3.07Å; R97-E100 PolarHBondContact O-N 3.19Å; E100-E104 WeakPolarHBondContact O-CB 3.4Å; E100-E104 PolarHBondContact O-N 3.5Å; E100-G115 WeakPolarHBondContact OE1-CA 3.45Å; E100-V116 HydrophobicContact CB-CB 4.15Å; E100-V116 HydrophobicContact CB-CG2 3.77Å; E100-V116 HydrophobicContact CG-CB 4.34Å; E100-V116 HydrophobicContact CG-CG2 3.99Å; E100-V116 PolarHBondContact OE1-N 3.36Å
101K96.5Very high93.8Very high165 Ų16562.8 Ų62.872%0.71732%0.322SS*.Hα-helixtrans-63-44.1175.9-70.9175.2-178.8-178.40112.3R97 E98 L99R97-K101 WeakPolarHBondContact O-CG 3.15Å; R97-K101 PolarHBondContact O-N 2.98Å; R97-K101 VanDerWaalsContact O-N 3.16Å; E98-K101 PolarHBondContact O-N 3.18Å; L99-K101 VanDerWaalsContact C-N 3.3Å; L99-K101 PolarHBondContact O-N 3.45Å
102S96.5Very high93.9Very high50 Ų5065.7 Ų65.735%0.3533%0.333SS..Hα-helixtrans-62.5-42-179.4175.10000112.1E98 L99 P105E98-S102 WeakPolarHBondContact O-CB 3.26Å; E98-S102 PolarHBondContact O-N 3Å; L99-S102 PolarHBondContact O-N 3.22Å; S102-P105 WeakPolarHBondContact O-CD 3.44Å
103I96Very high93.8Very high2 Ų268.8 Ų68.81%0.0135%0.35CS..Hα-helixtrans-88.4-18.4-175.170.9-175.4000114.1Y26 I34 V36 L99 P105 F106 R107Y26-I103 HydrophobicContact CD2-CB 4.45Å; I34-I103 HydrophobicContact CD1-CD1 4.37Å; I34-I103 HydrophobicContact CG2-CD1 3.7Å; V36-I103 HydrophobicContact CG1-CD1 4.26Å; V36-I103 HydrophobicContact CG1-CG2 3.99Å; L99-I103 HydrophobicContact CD1-CG2 3.94Å; L99-I103 HydrophobicContact CG-CD1 4.43Å; L99-I103 HydrophobicContact CG-CG2 4.47Å; L99-I103 VanDerWaalsContact O-CG1 3.31Å; L99-I103 WeakPolarHBondContact O-CG1 2.8Å; L99-I103 WeakPolarHBondContact O-CG2 3.48Å; L99-I103 PolarHBondContact O-N 3.33Å; I103-P105 VanDerWaalsContact C-N 3.31Å; I103-F106 PolarHBondContact O-N 3.38Å; I103-R107 WeakPolarHBondContact O-CG 3.38Å; I103-R107 PolarHBondContact O-N 3.21Å
104E94.9Very high93.8Very high79 Ų7968.2 Ų68.237%0.36934%0.343SS..G310 helixtrans-44.1-50.5-177.3-160.2-70165.700112.8E100 F106 R107 K112E100-E104 WeakPolarHBondContact O-CB 3.4Å; E100-E104 PolarHBondContact O-N 3.5Å; E104-F106 PolarHBondContact O-N 3.34Å; E104-F106 VanDerWaalsContact O-N 3.07Å; E104-R107 WeakPolarHBondContact O-CB 3.37Å; E104-R107 PolarHBondContact O-N 3.07Å; E104-K112 WeakPolarHBondContact O-CE 3.23Å; E104-K112 PolarHBondContact O-NZ 3.3Å; E104-K112 VanDerWaalsContact OE1-CD 3.23Å; E104-K112 WeakPolarHBondContact OE1-CD 3.02Å; E104-K112 VanDerWaalsContact OE1-CE 3.22Å; E104-K112 WeakPolarHBondContact OE1-CE 3.35Å; E104-K112 IonicContact OE1-NZ 2.79Å; E104-K112 PolarHBondContact OE1-NZ 3.47Å; E104-K112 IonicContact OE2-NZ 2.71Å; E104-K112 PolarHBondContact OE2-NZ 2.94Å
105P95.4Very high93.6Very high89 Ų8965.7 Ų65.758%0.57833%0.33SS*.G310 helixtrans-62.9-23.8-172.4-24.536.9000113.3S102 I103S102-P105 WeakPolarHBondContact O-CD 3.44Å; I103-P105 VanDerWaalsContact C-N 3.31Å
106F93.8Very high93.5Very high140 Ų14065.2 Ų65.261%0.61433%0.329SS*.G310 helixtrans-92.8-8.6-176.6-53.4-79.1000113.2Y26 I103 E104Y26-F106 HydrophobicContact CD1-CB 3.79Å; Y26-F106 WeakPolarHBondContact CE1-O 3.4Å; Y26-F106 HydrophobicContact CG-CB 3.9Å; I103-F106 PolarHBondContact O-N 3.38Å; E104-F106 PolarHBondContact O-N 3.34Å; E104-F106 VanDerWaalsContact O-N 3.07Å
107R94Very high93.3Very high13 Ų1366.3 Ų66.35%0.04934%0.335CS..SBendtrans-78133.3-178.8-68.5178.268.9-162.8-1.9111.1Y26 E29 I103 E104 A109 R111 K112 K114Y26-R107 HydrophobicContact CD2-CG 3.97Å; Y26-R107 HydrophobicContact CE2-CG 3.75Å; E29-R107 VanDerWaalsContact OE1-CB 3.3Å; E29-R107 WeakPolarHBondContact OE1-CB 3.3Å; E29-R107 IonicContact OE1-NE 3.58Å; E29-R107 PolarHBondContact OE1-NE 3.18Å; E29-R107 IonicContact OE1-NH2 2.76Å; E29-R107 IonicContact OE2-CZ 2.8Å; E29-R107 VanDerWaalsContact OE2-CZ 3.29Å; E29-R107 IonicContact OE2-NE 3.36Å; E29-R107 PolarHBondContact OE2-NE 3.18Å; E29-R107 IonicContact OE2-NH2 3.29Å; E29-R107 PolarHBondContact OE2-NH2 2.62Å; I103-R107 WeakPolarHBondContact O-CG 3.38Å; I103-R107 PolarHBondContact O-N 3.21Å; E104-R107 WeakPolarHBondContact O-CB 3.37Å; E104-R107 PolarHBondContact O-N 3.07Å; R107-A109 PolarHBondContact O-N 3.26Å; R107-R111 PolarHBondContact NH2-O 3.21Å; R107-K112 HydrophobicContact CB-CG 4.17Å; R107-K112 WeakPolarHBondContact O-CE 3.49Å; R107-K114 PolarHBondContact NH1-O 3.13Å; R107-K114 PolarHBondContact NH2-O 3.39Å
108P90.2Very high93Very high42 Ų4263.4 Ų63.427%0.27333%0.328SS..  trans-57.5136.5174.1-25.533.4000112.2Y26 E29 Y110 R111 K112Y26-P108 VanDerWaalsContact OH-CD 3.23Å; Y26-P108 WeakPolarHBondContact OH-CD 3.42Å; E29-P108 WeakPolarHBondContact OE1-CD 3.37Å; P108-Y110 VanDerWaalsContact C-N 3.28Å; P108-Y110 HydrophobicContact CB-CD1 3.83Å; P108-Y110 HydrophobicContact CB-CE1 3.42Å; P108-Y110 VanDerWaalsContact CB-CE1 3.42Å; P108-Y110 HydrophobicContact CG-CE1 4.33Å; P108-Y110 PolarHBondContact O-N 3.04Å; P108-Y110 VanDerWaalsContact O-N 3.13Å; P108-R111 HydrophobicContact CB-CB 4.49Å; P108-R111 HydrophobicContact CB-CG 4.13Å; P108-R111 HydrophobicContact CG-CG 4.39Å; P108-R111 WeakPolarHBondContact O-CA 3.23Å; P108-R111 WeakPolarHBondContact O-CB 3.37Å; P108-R111 PolarHBondContact O-N 2.92Å; P108-K112 PolarHBondContact O-N 2.79Å
109A90.7Very high92.4Very high83 Ų8363 Ų6369%0.68634%0.335SS*.G310 helixtrans-51.8-43.3-174.400000113.4R107 R111 K112R107-A109 PolarHBondContact O-N 3.26Å; A109-R111 PolarHBondContact O-N 3.29Å; A109-R111 VanDerWaalsContact O-N 3.15Å; A109-K112 WeakPolarHBondContact O-CB 3.2Å; A109-K112 PolarHBondContact O-N 3.3Å
110Y87.1Confident91.7Very high140 Ų14063.9 Ų63.955%0.54934%0.339SS..G310 helixtrans-67.7-13.3179.571.1-91.3000114.3P108P108-Y110 VanDerWaalsContact C-N 3.28Å; P108-Y110 HydrophobicContact CB-CD1 3.83Å; P108-Y110 HydrophobicContact CB-CE1 3.42Å; P108-Y110 VanDerWaalsContact CB-CE1 3.42Å; P108-Y110 HydrophobicContact CG-CE1 4.33Å; P108-Y110 PolarHBondContact O-N 3.04Å; P108-Y110 VanDerWaalsContact O-N 3.13Å
111R89.7Confident91.3Very high56 Ų5664 Ų6421%0.21134%0.341CS..G310 helixtrans-95.3-14.9177.6-66.9-63.4-153.6-170.51.9113.7E29 R107 P108 A109 V113E29-R111 HydrophobicContact CG-CB 3.8Å; E29-R111 HydrophobicContact CG-CG 3.68Å; E29-R111 PolarHBondContact O-NE 3.49Å; E29-R111 VanDerWaalsContact O-NE 3.16Å; E29-R111 PolarHBondContact O-NH2 3.44Å; E29-R111 WeakPolarHBondContact OE1-CB 3.31Å; R107-R111 PolarHBondContact NH2-O 3.21Å; P108-R111 HydrophobicContact CB-CB 4.49Å; P108-R111 HydrophobicContact CB-CG 4.13Å; P108-R111 HydrophobicContact CG-CG 4.39Å; P108-R111 WeakPolarHBondContact O-CA 3.23Å; P108-R111 WeakPolarHBondContact O-CB 3.37Å; P108-R111 PolarHBondContact O-N 2.92Å; A109-R111 PolarHBondContact O-N 3.29Å; A109-R111 VanDerWaalsContact O-N 3.15Å; R111-V113 PolarHBondContact O-N 3.31Å; R111-V113 VanDerWaalsContact O-N 3.16Å
112K91.2Very high90.8Very high77 Ų7757.9 Ų57.934%0.33532%0.315SS..THydrogen-bonded Turntrans-68.8-7.1-178.6-62.7-175.8175.5-162.80114E104 R107 P108 A109 K114E104-K112 WeakPolarHBondContact O-CE 3.23Å; E104-K112 PolarHBondContact O-NZ 3.3Å; E104-K112 VanDerWaalsContact OE1-CD 3.23Å; E104-K112 WeakPolarHBondContact OE1-CD 3.02Å; E104-K112 VanDerWaalsContact OE1-CE 3.22Å; E104-K112 WeakPolarHBondContact OE1-CE 3.35Å; E104-K112 IonicContact OE1-NZ 2.79Å; E104-K112 PolarHBondContact OE1-NZ 3.47Å; E104-K112 IonicContact OE2-NZ 2.71Å; E104-K112 PolarHBondContact OE2-NZ 2.94Å; R107-K112 HydrophobicContact CB-CG 4.17Å; R107-K112 WeakPolarHBondContact O-CE 3.49Å; P108-K112 PolarHBondContact O-N 2.79Å; A109-K112 WeakPolarHBondContact O-CB 3.2Å; A109-K112 PolarHBondContact O-N 3.3Å; K112-K114 PolarHBondContact O-N 3.09Å; K112-K114 VanDerWaalsContact O-N 3.14Å
113V90.7Very high90.4Very high113 Ų11355.5 Ų55.569%0.68530%0.299SS*.THydrogen-bonded Turntrans-58.3-24.9174.4-175.50000112.8R111R111-V113 PolarHBondContact O-N 3.31Å; R111-V113 VanDerWaalsContact O-N 3.16Å
114K91.6Very high90.1Very high33 Ų3357 Ų5714%0.14331%0.305CS..SBendtrans-119.3136.6175.4-64.7179.7172.2-166.80110.3N31 N32 K49 T50 V52 R107 K112N31-K114 PolarHBondContact ND2-NZ 3.22Å; N31-K114 VanDerWaalsContact ND2-NZ 3.2Å; N31-K114 VanDerWaalsContact O-CD 3.23Å; N31-K114 WeakPolarHBondContact O-CD 3.24Å; N31-K114 PolarHBondContact O-NZ 3.01Å; N32-K114 PolarHBondContact OD1-NZ 3.19Å; K49-K114 HydrophobicContact CB-CB 4.14Å; K49-K114 HydrophobicContact CB-CD 4.35Å; K49-K114 HydrophobicContact CD-CB 4.14Å; K49-K114 HydrophobicContact CD-CD 4.41Å; T50-K114 WeakPolarHBondContact O-CD 3.37Å; T50-K114 WeakPolarHBondContact O-CG 3.36Å; V52-K114 HydrophobicContact CG2-CG 4.17Å; R107-K114 PolarHBondContact NH1-O 3.13Å; R107-K114 PolarHBondContact NH2-O 3.39Å; K112-K114 PolarHBondContact O-N 3.09Å; K112-K114 VanDerWaalsContact O-N 3.14Å
115G91.9Very high89.9Confident17 Ų1753.3 Ų53.318%0.17529%0.288CS..  trans-94.4-174.4175.200000113.3K49 T50 E100K49-G115 CarbonylContact C-O 3.51Å; K49-G115 WeakPolarHBondContact CA-O 3.42Å; T50-G115 PolarHBondContact N-O 3.19Å; T50-G115 PolarHBondContact OG1-N 3.43Å; E100-G115 WeakPolarHBondContact OE1-CA 3.45Å
116V92.7Very high89.6Confident4 Ų450 Ų502%0.02427%0.266CS..BIsolated β-bridgetrans-71.7133.9168.51730000109.8I34 I47 T50 L96 E100 L118I34-V116 HydrophobicContact CD1-CG2 3.85Å; I47-V116 HydrophobicContact CG2-CB 4.48Å; I47-V116 HydrophobicContact CG2-CG1 3.63Å; I47-V116 HydrophobicContact CG2-CG2 4.19Å; T50-V116 WeakPolarHBondContact CG2-O 3.39Å; L96-V116 HydrophobicContact CB-CG1 3.98Å; L96-V116 HydrophobicContact CD2-CG1 4.14Å; L96-V116 HydrophobicContact CG-CG1 4.45Å; E100-V116 HydrophobicContact CB-CB 4.15Å; E100-V116 HydrophobicContact CB-CG2 3.77Å; E100-V116 HydrophobicContact CG-CB 4.34Å; E100-V116 HydrophobicContact CG-CG2 3.99Å; E100-V116 PolarHBondContact OE1-N 3.36Å; V116-L118 HydrophobicContact CG1-CD2 4.16Å; V116-L118 PolarHBondContact O-N 3.4Å; V116-L118 VanDerWaalsContact O-N 3.12Å
117D90.5Very high89.5Confident26 Ų2645.5 Ų45.514%0.13925%0.252CS..  trans-78.195.8177.7-171.5-10.3000111.3R48 T50 S119 E120R48-D117 HydrophobicContact CB-CB 4.38Å; R48-D117 HydrophobicContact CG-CB 4.17Å; R48-D117 IonicContact NE-OD2 2.85Å; R48-D117 PolarHBondContact O-N 3.23Å; T50-D117 HydrophobicContact CG2-CB 4.43Å; D117-S119 PolarHBondContact O-N 3.28Å; D117-S119 WeakPolarHBondContact OD1-CB 3.46Å; D117-S119 PolarHBondContact OD1-N 3.25Å; D117-S119 VanDerWaalsContact OD1-N 3.09Å; D117-S119 PolarHBondContact OD1-OG 2.84Å; D117-E120 HydrophobicContact CB-CB 4.47Å; D117-E120 PolarHBondContact O-N 2.88Å
118L90.2Very high89.5Confident61 Ų6145.3 Ų45.332%0.31925%0.252SS..THydrogen-bonded Turntrans-71.1-10.7-179.2-56-178.3000114.4L96 R97 V116 E120L96-L118 HydrophobicContact CB-CD2 3.75Å; R97-L118 HydrophobicContact CG-CD1 3.44Å; R97-L118 VanDerWaalsContact CG-CD1 3.44Å; R97-L118 HydrophobicContact CG-CD2 3.61Å; R97-L118 HydrophobicContact CG-CG 4.17Å; V116-L118 HydrophobicContact CG1-CD2 4.16Å; V116-L118 PolarHBondContact O-N 3.4Å; V116-L118 VanDerWaalsContact O-N 3.12Å; L118-E120 PolarHBondContact O-N 2.92Å
119S85.3Confident89.7Confident84 Ų8443.8 Ų43.859%0.58724%0.243SC*.THydrogen-bonded Turntrans-76.5-14.3173.976.20000112.1D117D117-S119 PolarHBondContact O-N 3.28Å; D117-S119 WeakPolarHBondContact OD1-CB 3.46Å; D117-S119 PolarHBondContact OD1-N 3.25Å; D117-S119 VanDerWaalsContact OD1-N 3.09Å; D117-S119 PolarHBondContact OD1-OG 2.84Å
120E81.2Confident90Very high19 Ų1940.2 Ų40.29%0.08921%0.212CC..  trans-105.9106.5-176.5-177.573.6-155.700111.8K64 L96 D117 L118 F122K64-E120 WeakPolarHBondContact CD-OE1 3.45Å; K64-E120 VanDerWaalsContact CE-OE1 3.24Å; K64-E120 WeakPolarHBondContact CE-OE1 3.23Å; K64-E120 WeakPolarHBondContact CE-OE2 3.39Å; K64-E120 IonicContact NZ-OE1 3.84Å; K64-E120 PolarHBondContact NZ-OE1 3.48Å; K64-E120 IonicContact NZ-OE2 3.19Å; K64-E120 PolarHBondContact NZ-OE2 3.2Å; L96-E120 WeakPolarHBondContact CD1-O 3.47Å; D117-E120 HydrophobicContact CB-CB 4.47Å; D117-E120 PolarHBondContact O-N 2.88Å; L118-E120 PolarHBondContact O-N 2.92Å; E120-F122 PolarHBondContact O-N 2.87Å
121N86.4Confident90.3Very high50 Ų5036 Ų3627%0.26720%0.198SC..  trans-90.733.5-179.3-64.1-20.4000113K90 T91 P93K90-N121 CarbonylContact C-O 3.5Å; K90-N121 WeakPolarHBondContact CA-O 3.3Å; T91-N121 PolarHBondContact N-O 3.44Å; T91-N121 WeakPolarHBondContact O-CB 3.49Å; P93-N121 VanDerWaalsContact CD-OD1 3.27Å; P93-N121 WeakPolarHBondContact CD-OD1 3.43Å; P93-N121 VanDerWaalsContact CG-OD1 3.24Å; P93-N121 WeakPolarHBondContact CG-OD1 3.01Å
122F86.7Confident90.5Very high38 Ų3834 Ų3417%0.16719%0.191CC..EExtended strand (participates in β ladder)trans-138.9140.9178.1-62.6-90.1000111.7A61 L88 I89 K90 E120A61-F122 HydrophobicContact CB-CE2 3.77Å; L88-F122 HydrophobicContact CD1-CB 3.64Å; L88-F122 HydrophobicContact CD1-CG 4.37Å; L88-F122 HydrophobicContact CD2-CB 4.44Å; L88-F122 HydrophobicContact CD2-CD1 4.13Å; L88-F122 HydrophobicContact CD2-CG 4.33Å; L88-F122 HydrophobicContact CG-CB 3.96Å; L88-F122 HydrophobicContact CG-CD1 3.88Å; L88-F122 HydrophobicContact CG-CG 4.18Å; I89-F122 WeakPolarHBondContact O-CA 3.34Å; K90-F122 HydrophobicContact CB-CD1 3.94Å; K90-F122 HydrophobicContact CB-CE1 3.67Å; K90-F122 HydrophobicContact CB-CZ 4.43Å; K90-F122 HydrophobicContact CD-CE1 4.47Å; K90-F122 HydrophobicContact CD-CZ 4.48Å; K90-F122 HydrophobicContact CG-CD1 4.35Å; K90-F122 HydrophobicContact CG-CE1 3.92Å; K90-F122 HydrophobicContact CG-CZ 4.18Å; E120-F122 PolarHBondContact O-N 2.87Å
123V89.2Confident90.5Very high0 Ų031 Ų310%018%0.179CC..EExtended strand (participates in β ladder)trans-119.8148.5172.5-60.70000109.7F19 L45 I47 I89 T91 L96 V125F19-V123 HydrophobicContact CE1-CG2 3.76Å; F19-V123 HydrophobicContact CZ-CG2 4.02Å; L45-V123 HydrophobicContact CD2-CG2 4.38Å; L45-V123 HydrophobicContact CG-CG2 4.45Å; I47-V123 HydrophobicContact CG1-CG1 3.88Å; I89-V123 HydrophobicContact CB-CG2 4.46Å; I89-V123 PolarHBondContact N-O 3.43Å; I89-V123 PolarHBondContact O-N 3.05Å; T91-V123 HydrophobicContact CG2-CG1 4.01Å; L96-V123 HydrophobicContact CD2-CG1 4.22Å; V123-V125 HydrophobicContact CG2-CG2 3.98Å
124F88.2Confident90.4Very high33 Ų3330.8 Ų30.815%0.14518%0.183CC..EExtended strand (participates in β ladder)trans-86.8135.6168-55-89.2000109.3L45 R46 K64 I68 I86 H87 L88L45-F124 CarbonylContact C-O 3.29Å; L45-F124 WeakPolarHBondContact CA-O 2.99Å; R46-F124 HydrophobicContact CB-CB 4.14Å; R46-F124 HydrophobicContact CB-CD2 4.44Å; R46-F124 PolarHBondContact N-O 3.21Å; R46-F124 PolarHBondContact O-N 3.05Å; R46-F124 VanDerWaalsContact O-N 3.17Å; K64-F124 HydrophobicContact CD-CZ 4.28Å; I68-F124 HydrophobicContact CD1-CD1 3.67Å; I68-F124 HydrophobicContact CD1-CE1 3.39Å; I68-F124 HydrophobicContact CG1-CD1 4.05Å; I68-F124 HydrophobicContact CG1-CE1 3.41Å; I68-F124 VanDerWaalsContact CG1-CE1 3.41Å; I68-F124 HydrophobicContact CG1-CZ 4.45Å; I86-F124 HydrophobicContact CG2-CB 3.82Å; I86-F124 HydrophobicContact CG2-CD1 3.71Å; I86-F124 HydrophobicContact CG2-CG 4.19Å; H87-F124 CarbonylContact O-C 3.57Å; H87-F124 WeakPolarHBondContact O-CA 3.04Å; L88-F124 HydrophobicContact CD1-CD1 3.92Å; L88-F124 HydrophobicContact CD1-CE1 3.89Å; L88-F124 HydrophobicContact CD1-CG 4.4Å; L88-F124 HydrophobicContact CD1-CZ 4.34Å
125V90.4Very high90.1Very high2 Ų234.7 Ų34.71%0.01220%0.202CC..EExtended strand (participates in β ladder)trans-120.6129.1178.9-176.40000109.1L18 L43 I44 L45 I86 H87 I89 V123L18-V125 HydrophobicContact CD1-CG1 3.99Å; L18-V125 HydrophobicContact CD1-CG2 4.47Å; L18-V125 HydrophobicContact CD2-CG2 4.14Å; L43-V125 HydrophobicContact CB-CG1 4.12Å; L43-V125 HydrophobicContact CD1-CG1 3.91Å; L43-V125 HydrophobicContact CD2-CG1 4.41Å; L43-V125 HydrophobicContact CG-CG1 4.36Å; I44-V125 WeakPolarHBondContact O-CA 3.43Å; L45-V125 HydrophobicContact CG-CG2 4.23Å; I86-V125 CarbonylContact C-O 3.49Å; I86-V125 WeakPolarHBondContact CA-O 3.49Å; H87-V125 PolarHBondContact N-O 3.44Å; H87-V125 PolarHBondContact O-N 2.99Å; I89-V125 HydrophobicContact CB-CG2 4.19Å; I89-V125 HydrophobicContact CD1-CB 3.96Å; I89-V125 HydrophobicContact CD1-CG1 4.37Å; I89-V125 HydrophobicContact CD1-CG2 3.69Å; I89-V125 HydrophobicContact CG1-CB 4.3Å; I89-V125 HydrophobicContact CG1-CG2 3.87Å; V123-V125 HydrophobicContact CG2-CG2 3.98Å
126T90.1Very high90.1Very high19 Ų1934 Ų3412%0.11719%0.194CC..EExtended strand (participates in β ladder)trans-146.5165.3179.8-166.20000109.8L43 I44 R84 S85L43-T126 CarbonylContact C-O 3.54Å; L43-T126 WeakPolarHBondContact CA-O 3.49Å; I44-T126 HydrophobicContact CB-CG2 4.19Å; I44-T126 PolarHBondContact N-O 2.9Å; I44-T126 PolarHBondContact O-N 3.32Å; I44-T126 VanDerWaalsContact O-N 3.07Å; R84-T126 VanDerWaalsContact CB-OG1 3.31Å; R84-T126 WeakPolarHBondContact CB-OG1 3.34Å; S85-T126 WeakPolarHBondContact O-CA 3.27Å; S85-T126 WeakPolarHBondContact O-CB 3.44Å; S85-T126 PolarHBondContact O-OG1 3.43Å
127S92.1Very high90Very high46 Ų4637.6 Ų37.632%0.32222%0.216SC..EExtended strand (participates in β ladder)trans-68.4146.417653.50000111.6R84 A129R84-S127 WeakPolarHBondContact CD-OG 3.47Å; S127-A129 PolarHBondContact O-N 2.96Å; S127-A129 VanDerWaalsContact O-N 3.12Å
128D94.1Very high90Very high9 Ų942 Ų425%0.04824%0.235CC..  trans-68.7107.7174.4-172-10.5000110.4R27 S42 I44 T130 Q131R27-D128 IonicContact CZ-OD2 2.77Å; R27-D128 IonicContact NH1-OD1 3.03Å; R27-D128 IonicContact NH1-OD2 4Å; R27-D128 PolarHBondContact NH1-OD2 2.97Å; R27-D128 IonicContact NH2-OD2 3.81Å; R27-D128 PolarHBondContact NH2-OD2 2.89Å; S42-D128 WeakPolarHBondContact O-CB 3.19Å; S42-D128 PolarHBondContact O-N 3.4Å; I44-D128 HydrophobicContact CD1-CB 3.95Å; I44-D128 HydrophobicContact CG1-CB 3.77Å; D128-T130 PolarHBondContact O-N 3.24Å; D128-T130 VanDerWaalsContact O-N 3.12Å; D128-T130 WeakPolarHBondContact OD1-CB 3.41Å; D128-T130 PolarHBondContact OD1-N 2.84Å; D128-T130 PolarHBondContact OD1-OG1 3.45Å; D128-T130 PolarHBondContact OD2-OG1 2.98Å; D128-T130 VanDerWaalsContact OD2-OG1 3.04Å; D128-Q131 HydrophobicContact CB-CG 4.19Å; D128-Q131 PolarHBondContact O-N 3.29Å; D128-Q131 PolarHBondContact OD2-NE2 3.13Å
129A94.5Very high90.2Very high10 Ų1041.4 Ų41.48%0.08323%0.229CC..THydrogen-bonded Turntrans-66.9-9.7179.400000113.5S127 M435 T437 A467 I469S127-A129 PolarHBondContact O-N 2.96Å; S127-A129 VanDerWaalsContact O-N 3.12Å; A129-M435 HydrophobicContact CB-CB 3.94Å; A129-M435 HydrophobicContact CB-CE 4.18Å; A129-M435 HydrophobicContact CB-CG 3.75Å; A129-T437 PolarHBondContact O-OG1 2.84Å; A129-A467 HydrophobicContact CB-CB 4.5Å; A129-I469 HydrophobicContact CB-CG2 4.48Å
130T95.8Very high90.5Very high7 Ų737.9 Ų37.94%0.04321%0.205CC..THydrogen-bonded Turntrans-82.10.5170.566.70000113.6R27 D128 S146 Y225 S228 M435R27-T130 PolarHBondContact NH1-OG1 2.98Å; D128-T130 PolarHBondContact O-N 3.24Å; D128-T130 VanDerWaalsContact O-N 3.12Å; D128-T130 WeakPolarHBondContact OD1-CB 3.41Å; D128-T130 PolarHBondContact OD1-N 2.84Å; D128-T130 PolarHBondContact OD1-OG1 3.45Å; D128-T130 PolarHBondContact OD2-OG1 2.98Å; D128-T130 VanDerWaalsContact OD2-OG1 3.04Å; T130-S146 VanDerWaalsContact C-OG 3.29Å; T130-S146 VanDerWaalsContact CA-OG 3.28Å; T130-S146 WeakPolarHBondContact CA-OG 3.34Å; T130-S146 PolarHBondContact O-OG 3.43Å; T130-Y225 HydrophobicContact CG2-CD1 4.27Å; T130-Y225 HydrophobicContact CG2-CD2 4Å; T130-Y225 HydrophobicContact CG2-CE2 4.36Å; T130-Y225 HydrophobicContact CG2-CG 3.97Å; T130-S228 WeakPolarHBondContact OG1-CB 3.49Å; T130-S228 PolarHBondContact OG1-OG 3.1Å; T130-M435 HydrophobicContact CG2-CE 3.65Å
131Q94.4Very high91Very high53 Ų5339.8 Ų39.825%0.24821%0.213CC..SBendtrans-118.4155.9178.8-60.2-176.349.200110.2S42 D128 S228S42-Q131 PolarHBondContact OG-OE1 3.43Å; D128-Q131 HydrophobicContact CB-CG 4.19Å; D128-Q131 PolarHBondContact O-N 3.29Å; D128-Q131 PolarHBondContact OD2-NE2 3.13Å; Q131-S228 WeakPolarHBondContact CG-OG 3.5Å
132M93.7Very high91.3Very high13 Ų1339.1 Ų39.16%0.06422%0.218CC..  trans-66.1133.9173-169.156.567.100109.2L136 V137 A140 T437 Q439 L463M132-L136 HydrophobicContact CG-CB 3.62Å; M132-L136 HydrophobicContact SD-CB 3.69Å; M132-L136 HydrophobicContact SD-CD1 3.69Å; M132-L136 HydrophobicContact SD-CG 4.33Å; M132-V137 HydrophobicContact CB-CG2 4.22Å; M132-V137 HydrophobicContact CG-CG2 4.5Å; M132-V137 WeakPolarHBondContact O-CG2 3.33Å; M132-A140 HydrophobicContact CG-CB 4.37Å; M132-T437 HydrophobicContact CE-CG2 4.39Å; M132-Q439 HydrophobicContact CE-CB 3.62Å; M132-L463 HydrophobicContact CE-CB 3.7Å; M132-L463 HydrophobicContact SD-CB 4.29Å
133P90.7Very high91.7Very high13 Ų1337.7 Ų37.78%0.08421%0.212CC..  trans-56.7144.9176-26.836.3000111.9H135 L136 V137 S465P133-H135 VanDerWaalsContact CB-CE1 3.44Å; P133-H135 WeakPolarHBondContact CB-CE1 3.48Å; P133-H135 PolarHBondContact O-N 3.5Å; P133-H135 VanDerWaalsContact O-N 3.1Å; P133-L136 HydrophobicContact CG-CD1 4.43Å; P133-L136 WeakPolarHBondContact O-CA 3.3Å; P133-L136 PolarHBondContact O-N 3.48Å; P133-V137 WeakPolarHBondContact O-CG2 3.21Å; P133-V137 PolarHBondContact O-N 3.01Å; P133-V137 VanDerWaalsContact O-N 3.17Å; P133-S465 VanDerWaalsContact CG-OG 3.23Å; P133-S465 WeakPolarHBondContact CG-OG 3.16Å
134S88Confident92.1Very high110 Ų11038.3 Ų38.377%0.76922%0.216SC*.Hα-helixtrans-49.6-41.4-176.551.10000114L136 V137S134-L136 PolarHBondContact O-N 3.43Å; S134-V137 PolarHBondContact O-N 3.17Å
135H87Confident92.5Very high115 Ų11536.8 Ų36.853%0.53221%0.21SC..Hα-helixtrans-69.5-9.2178.170.7-87.6000114.9P133P133-H135 VanDerWaalsContact CB-CE1 3.44Å; P133-H135 WeakPolarHBondContact CB-CE1 3.48Å; P133-H135 PolarHBondContact O-N 3.5Å; P133-H135 VanDerWaalsContact O-N 3.1Å
136L90.6Very high92.9Very high3 Ų336.7 Ų36.72%0.01621%0.209CC..Hα-helixtrans-110.4-15175.8-63.2-177.8000112.7M132 P133 S134 E138 Y139 A140 L447M132-L136 HydrophobicContact CG-CB 3.62Å; M132-L136 HydrophobicContact SD-CB 3.69Å; M132-L136 HydrophobicContact SD-CD1 3.69Å; M132-L136 HydrophobicContact SD-CG 4.33Å; P133-L136 HydrophobicContact CG-CD1 4.43Å; P133-L136 WeakPolarHBondContact O-CA 3.3Å; P133-L136 PolarHBondContact O-N 3.48Å; S134-L136 PolarHBondContact O-N 3.43Å; L136-E138 VanDerWaalsContact C-N 3.28Å; L136-E138 PolarHBondContact O-N 2.94Å; L136-Y139 PolarHBondContact O-N 3.44Å; L136-Y139 VanDerWaalsContact O-N 3.1Å; L136-A140 PolarHBondContact O-N 3.47Å; L136-L447 HydrophobicContact CD2-CD1 3.38Å
137V90.7Very high93.3Very high79 Ų7936 Ų3648%0.47921%0.205SC..Hα-helixtrans-58.9-39.2-176.2170.40000111.6M132 P133 S134 Y139 A140M132-V137 HydrophobicContact CB-CG2 4.22Å; M132-V137 HydrophobicContact CG-CG2 4.5Å; M132-V137 WeakPolarHBondContact O-CG2 3.33Å; P133-V137 WeakPolarHBondContact O-CG2 3.21Å; P133-V137 PolarHBondContact O-N 3.01Å; P133-V137 VanDerWaalsContact O-N 3.17Å; S134-V137 PolarHBondContact O-N 3.17Å; V137-Y139 PolarHBondContact O-N 2.77Å; V137-A140 PolarHBondContact O-N 2.85Å; V137-A140 VanDerWaalsContact O-N 3.09Å
138E91.5Very high93.6Very high117 Ų11734.3 Ų34.355%0.54719%0.192SC..THydrogen-bonded Turntrans-62.4-25.2-179.768.8-179142.600113.3L136 K442L136-E138 VanDerWaalsContact C-N 3.28Å; L136-E138 PolarHBondContact O-N 2.94Å; E138-K442 WeakPolarHBondContact O-CD 3.26Å; E138-K442 VanDerWaalsContact O-CE 3.27Å; E138-K442 WeakPolarHBondContact O-CE 3.38Å; E138-K442 PolarHBondContact O-NZ 3.11Å
139Y92.7Very high93.8Very high49 Ų4933.9 Ų33.919%0.19219%0.189CC..THydrogen-bonded Turntrans-971.4179.9-53.8-61.6000113.3L136 V137 K442 C445 P446 L447 L463L136-Y139 PolarHBondContact O-N 3.44Å; L136-Y139 VanDerWaalsContact O-N 3.1Å; V137-Y139 PolarHBondContact O-N 2.77Å; Y139-K442 WeakPolarHBondContact O-CG 3.33Å; Y139-K442 PolarHBondContact O-N 3.16Å; Y139-C445 HydrophobicContact CD1-CB 4.49Å; Y139-C445 HydrophobicContact CG-CB 4.47Å; Y139-P446 VanDerWaalsContact CE1-CD 3.45Å; Y139-P446 HydrophobicContact CE1-CG 4.03Å; Y139-L447 HydrophobicContact CD2-CD1 3.79Å; Y139-L447 HydrophobicContact CE2-CD1 3.77Å; Y139-L447 HydrophobicContact CE2-CG 4.45Å; Y139-L463 WeakPolarHBondContact O-CD1 3.08Å
140A92.6Very high94Very high10 Ų1034.7 Ų34.78%0.08319%0.191CC..EExtended strand (participates in β ladder)trans-107.6151.8-173.500000112.1M132 L136 V137 Q439 R440 K442 L463M132-A140 HydrophobicContact CG-CB 4.37Å; L136-A140 PolarHBondContact O-N 3.47Å; V137-A140 PolarHBondContact O-N 2.85Å; V137-A140 VanDerWaalsContact O-N 3.09Å; A140-Q439 HydrophobicContact CB-CB 4.26Å; A140-Q439 VanDerWaalsContact CB-CD 3.49Å; A140-Q439 HydrophobicContact CB-CG 3.91Å; A140-R440 CarbonylContact C-O 3.41Å; A140-R440 WeakPolarHBondContact CA-O 3.49Å; A140-K442 WeakPolarHBondContact O-CE 3.36Å; A140-L463 HydrophobicContact CB-CD1 3.57Å
141F92.4Very high94.1Very high60 Ų6034.3 Ų34.326%0.26319%0.189SC..EExtended strand (participates in β ladder)trans-148.3162.2170.376.1-85.3000112.8L249 Q439 R440 A441 K442F141-L249 HydrophobicContact CE2-CD1 4.25Å; F141-Q439 WeakPolarHBondContact O-CG 3.48Å; F141-R440 HydrophobicContact CD1-CB 3.85Å; F141-R440 HydrophobicContact CD2-CB 4.3Å; F141-R440 HydrophobicContact CE1-CB 3.53Å; F141-R440 HydrophobicContact CE2-CB 4Å; F141-R440 HydrophobicContact CG-CB 4.24Å; F141-R440 HydrophobicContact CZ-CB 3.61Å; F141-R440 HydrophobicContact CZ-CG 4.39Å; F141-R440 PolarHBondContact N-O 2.91Å; F141-R440 WeakPolarHBondContact O-CB 3.31Å; F141-R440 PolarHBondContact O-N 2.99Å; F141-A441 WeakPolarHBondContact CE1-O 3.31Å; F141-K442 HydrophobicContact CB-CG 4.45Å; F141-K442 HydrophobicContact CD1-CG 3.88Å
142G91.9Very high94.3Very high35 Ų3533.6 Ų33.636%0.36119%0.185SC..EExtended strand (participates in β ladder)trans73.9-168-179.300000113.3Q439G142-Q439 PolarHBondContact O-NE2 3.26Å
143P95.1Very high94.4Very high8 Ų833.7 Ų33.75%0.05219%0.185CC..EExtended strand (participates in β ladder)trans-69.9149.4-17728.3-35.5000112.4L226 D227 F246 L249P143-L226 HydrophobicContact CB-CD1 3.93Å; P143-D227 WeakPolarHBondContact CA-OD1 3.42Å; P143-F246 HydrophobicContact CG-CD2 4.03Å; P143-F246 WeakPolarHBondContact O-CE2 3.1Å; P143-L249 HydrophobicContact CG-CD2 4.27Å
144T96.7Very high94.6Very high14 Ų1433 Ų339%0.08618%0.181CC..EExtended strand (participates in β ladder)trans-96.1124174.7-56.40000109.9L226 D227 T437 Q439T144-L226 CarbonylContact O-C 3.39Å; T144-L226 WeakPolarHBondContact O-CA 3.5Å; T144-D227 PolarHBondContact N-OD1 3.39Å; T144-D227 PolarHBondContact O-N 3.44Å; T144-T437 HydrophobicContact CG2-CG2 3.44Å; T144-T437 VanDerWaalsContact CG2-CG2 3.44Å; T144-Q439 VanDerWaalsContact OG1-CD 3.26Å; T144-Q439 PolarHBondContact OG1-NE2 2.65Å; T144-Q439 PolarHBondContact OG1-OE1 3.15Å
145L98.2Very high94.8Very high1 Ų127.9 Ų27.91%0.00515%0.145CC..EExtended strand (participates in β ladder)trans-105.7127.1174-175.476.4000109.5V224 L226 I231 L243 F246 L288 T437 V438L145-V224 HydrophobicContact CD1-CG1 3.66Å; L145-V224 HydrophobicContact CG-CG1 4.39Å; L145-L226 HydrophobicContact CD1-CD1 4.2Å; L145-I231 HydrophobicContact CD1-CD1 4.25Å; L145-L243 HydrophobicContact CD1-CD2 4.24Å; L145-L243 HydrophobicContact CD2-CD2 4.08Å; L145-F246 HydrophobicContact CB-CD1 4.42Å; L145-F246 HydrophobicContact CB-CD2 3.56Å; L145-F246 HydrophobicContact CB-CE1 4.39Å; L145-F246 HydrophobicContact CB-CE2 3.52Å; L145-F246 HydrophobicContact CB-CG 4.03Å; L145-F246 HydrophobicContact CB-CZ 3.96Å; L145-F246 HydrophobicContact CD2-CD1 3.96Å; L145-F246 HydrophobicContact CD2-CE1 4.07Å; L145-F246 HydrophobicContact CD2-CG 4.21Å; L145-F246 HydrophobicContact CD2-CZ 4.42Å; L145-L288 HydrophobicContact CD2-CD1 3.96Å; L145-T437 WeakPolarHBondContact O-CA 3.19Å; L145-V438 HydrophobicContact CB-CG2 3.94Å; L145-V438 HydrophobicContact CD2-CG2 4.27Å; L145-V438 PolarHBondContact N-O 3.26Å; L145-V438 PolarHBondContact O-N 3.46Å
146S98.4Very high95.1Very high0 Ų022.4 Ų22.40%012%0.12CC..EExtended strand (participates in β ladder)trans-126.4139.3178.7-61.50000111.8T130 V224 Y225 I436 T437T130-S146 VanDerWaalsContact C-OG 3.29Å; T130-S146 VanDerWaalsContact CA-OG 3.28Å; T130-S146 WeakPolarHBondContact CA-OG 3.34Å; T130-S146 PolarHBondContact O-OG 3.43Å; S146-V224 CarbonylContact O-C 3.48Å; S146-V224 WeakPolarHBondContact O-CA 3.39Å; S146-Y225 PolarHBondContact N-O 3.16Å; S146-Y225 PolarHBondContact O-N 3.01Å; S146-I436 CarbonylContact C-O 3.56Å; S146-I436 VanDerWaalsContact CA-O 3.23Å; S146-I436 WeakPolarHBondContact CA-O 3.43Å; S146-T437 WeakPolarHBondContact CB-OG1 3.34Å; S146-T437 WeakPolarHBondContact OG-CG2 3.29Å; S146-T437 PolarHBondContact OG-OG1 3.47Å
147V98.7Very high95Very high4 Ų423 Ų232%0.02412%0.124CC..EExtended strand (participates in β ladder)trans-124.4126.4178.6-178.60000109.7I149 F222 R223 V224 L288 L293 M435 I436V147-I149 HydrophobicContact CG1-CD1 4.33Å; V147-I149 HydrophobicContact CG1-CG1 3.9Å; V147-F222 HydrophobicContact CG1-CD2 4.18Å; V147-F222 HydrophobicContact CG1-CE1 4.34Å; V147-F222 HydrophobicContact CG1-CE2 3.41Å; V147-F222 VanDerWaalsContact CG1-CE2 3.41Å; V147-F222 HydrophobicContact CG1-CZ 3.51Å; V147-R223 CarbonylContact C-O 3.6Å; V147-R223 WeakPolarHBondContact CA-O 3.5Å; V147-V224 HydrophobicContact CG2-CG1 4.11Å; V147-V224 HydrophobicContact CG2-CG2 4.14Å; V147-L288 HydrophobicContact CG2-CD1 4.19Å; V147-L293 HydrophobicContact CB-CD2 3.9Å; V147-L293 HydrophobicContact CG1-CD1 4.3Å; V147-L293 HydrophobicContact CG1-CD2 4.02Å; V147-L293 HydrophobicContact CG2-CD2 3.86Å; V147-M435 WeakPolarHBondContact O-CA 3.27Å; V147-I436 PolarHBondContact N-O 2.98Å; V147-I436 PolarHBondContact O-N 3.11Å
148E98.6Very high94.7Very high10 Ų1023 Ų235%0.04712%0.12CC..EExtended strand (participates in β ladder)trans-99.3124171-174.1-168.5165.900109.1K150 F222 R223 Y225 I434 M435E148-K150 WeakPolarHBondContact OE1-CE 3.45Å; E148-K150 IonicContact OE1-NZ 2.94Å; E148-K150 PolarHBondContact OE1-NZ 2.89Å; E148-F222 CarbonylContact O-C 3.59Å; E148-F222 WeakPolarHBondContact O-CA 3.25Å; E148-R223 HydrophobicContact CB-CB 4.24Å; E148-R223 VanDerWaalsContact CD-NH1 3.3Å; E148-R223 PolarHBondContact N-O 2.77Å; E148-R223 PolarHBondContact O-N 2.92Å; E148-R223 IonicContact OE1-NH1 3.16Å; E148-R223 PolarHBondContact OE1-NH1 3.03Å; E148-R223 WeakPolarHBondContact OE2-CD 3.4Å; E148-R223 IonicContact OE2-CZ 2.61Å; E148-R223 IonicContact OE2-NH1 2.68Å; E148-R223 PolarHBondContact OE2-NH1 3.24Å; E148-Y225 HydrophobicContact CB-CE2 4.13Å; E148-Y225 PolarHBondContact OE2-OH 3.19Å; E148-I434 CarbonylContact C-O 3.49Å; E148-I434 VanDerWaalsContact CA-O 3.31Å; E148-I434 WeakPolarHBondContact CA-O 3.49Å; E148-M435 HydrophobicContact CB-SD 3.54Å; E148-M435 VanDerWaalsContact CB-SD 3.54Å; E148-M435 HydrophobicContact CG-SD 3.73Å
149I98.7Very high94.3Very high0 Ų019.4 Ų19.40%010%0.102CC..EExtended strand (participates in β ladder)trans-120130.1174.8-54.1-177.9000108.8V147 P151 L199 L211 L214 N221 F222 L297 S433 I434 I436V147-I149 HydrophobicContact CG1-CD1 4.33Å; V147-I149 HydrophobicContact CG1-CG1 3.9Å; I149-P151 HydrophobicContact CG2-CB 4.48Å; I149-P151 VanDerWaalsContact O-CD 3.22Å; I149-P151 WeakPolarHBondContact O-CD 3.35Å; I149-L199 HydrophobicContact CG2-CD2 4.38Å; I149-L211 HydrophobicContact CD1-CD2 3.93Å; I149-L214 HydrophobicContact CG2-CD1 3.95Å; I149-N221 CarbonylContact C-O 3.48Å; I149-N221 WeakPolarHBondContact CA-O 3.43Å; I149-F222 HydrophobicContact CD1-CD2 4.45Å; I149-F222 HydrophobicContact CD1-CE2 4.19Å; I149-F222 HydrophobicContact CG1-CD2 3.92Å; I149-F222 HydrophobicContact CG1-CE2 4Å; I149-L297 HydrophobicContact CD1-CD1 4.27Å; I149-S433 CarbonylContact O-C 3.51Å; I149-S433 VanDerWaalsContact O-CA 3.3Å; I149-S433 WeakPolarHBondContact O-CA 3.37Å; I149-I434 HydrophobicContact CB-CB 4.44Å; I149-I434 PolarHBondContact N-O 3.38Å; I149-I434 PolarHBondContact O-N 2.99Å; I149-I436 HydrophobicContact CD1-CD1 4.21Å
150K97.9Very high93.6Very high27 Ų2722.5 Ų22.512%0.11713%0.128CC..  trans-100.392.4167.3-48.5-153.7-174.9-120.90108.9E148 K152 N220 N221 S433 D470E148-K150 WeakPolarHBondContact OE1-CE 3.45Å; E148-K150 IonicContact OE1-NZ 2.94Å; E148-K150 PolarHBondContact OE1-NZ 2.89Å; K150-K152 VanDerWaalsContact C-N 3.27Å; K150-K152 PolarHBondContact O-N 3.34Å; K150-N220 VanDerWaalsContact CD-O 3.31Å; K150-N220 WeakPolarHBondContact CD-O 3.43Å; K150-N220 WeakPolarHBondContact CE-O 3.36Å; K150-N221 HydrophobicContact CB-CB 4.4Å; K150-N221 PolarHBondContact N-O 3.39Å; K150-S433 WeakPolarHBondContact CD-OG 3.25Å; K150-S433 WeakPolarHBondContact CE-OG 3.12Å; K150-S433 WeakPolarHBondContact CG-OG 3.31Å; K150-S433 PolarHBondContact NZ-OG 3.19Å; K150-D470 IonicContact NZ-OD2 3.58Å; K150-D470 PolarHBondContact NZ-OD2 2.76Å
151P97.9Very high92.6Very high0 Ų023.3 Ų23.30%014%0.135CC..  trans-73.9-16.3-163.633.5-41000113.8I149 Y194 P196 L199 F200 I434I149-P151 HydrophobicContact CG2-CB 4.48Å; I149-P151 VanDerWaalsContact O-CD 3.22Å; I149-P151 WeakPolarHBondContact O-CD 3.35Å; P151-Y194 WeakPolarHBondContact CA-OH 3.5Å; P151-Y194 PolarHBondContact O-OH 3.02Å; P151-P196 WeakPolarHBondContact O-CB 3.47Å; P151-L199 HydrophobicContact CB-CD2 3.59Å; P151-F200 HydrophobicContact CB-CE2 3.69Å; P151-F200 HydrophobicContact CB-CZ 3.74Å; P151-F200 HydrophobicContact CG-CE2 4.41Å; P151-F200 HydrophobicContact CG-CZ 4.06Å; P151-I434 HydrophobicContact CB-CD1 4.23Å; P151-I434 HydrophobicContact CG-CD1 3.96Å; P151-I434 HydrophobicContact CG-CG1 4.19Å
152K97.5Very high91.7Very high38 Ų3827 Ų2717%0.16516%0.163CC..  trans58.7-172.2-176.7-46.2-57.5177.8-163.10112.4K150 G154 F175 P196 N221 Q364 R430K150-K152 VanDerWaalsContact C-N 3.27Å; K150-K152 PolarHBondContact O-N 3.34Å; K152-G154 PolarHBondContact O-N 3.08Å; K152-F175 HydrophobicContact CB-CD2 4.41Å; K152-F175 HydrophobicContact CD-CD2 4.5Å; K152-F175 HydrophobicContact CG-CD2 3.69Å; K152-F175 HydrophobicContact CG-CE2 4.21Å; K152-F175 HydrophobicContact CG-CG 4.44Å; K152-P196 HydrophobicContact CB-CB 4.38Å; K152-P196 HydrophobicContact CB-CG 3.73Å; K152-P196 HydrophobicContact CG-CG 4.45Å; K152-N221 WeakPolarHBondContact CE-OD1 3.47Å; K152-N221 PolarHBondContact NZ-OD1 2.96Å; K152-Q364 PolarHBondContact O-NE2 3.06Å; K152-R430 WeakPolarHBondContact CA-O 3.08Å
153F96.3Very high91.3Very high14 Ų1426.8 Ų26.86%0.06116%0.16CC..  trans-74.7115.3-177.3-171.9-157.7000110.5A155 P157 P196 Q364 L365 R430F153-A155 VanDerWaalsContact C-N 3.28Å; F153-A155 WeakPolarHBondContact CD1-O 3.19Å; F153-A155 WeakPolarHBondContact CE1-O 3.27Å; F153-A155 HydrophobicContact CE2-CB 3.96Å; F153-A155 HydrophobicContact CZ-CB 4.17Å; F153-A155 PolarHBondContact O-N 3.49Å; F153-P157 HydrophobicContact CE1-CG 3.7Å; F153-P157 HydrophobicContact CZ-CG 4.09Å; F153-P196 WeakPolarHBondContact O-CB 3.42Å; F153-Q364 HydrophobicContact CD2-CB 3.91Å; F153-Q364 HydrophobicContact CD2-CG 4.36Å; F153-Q364 HydrophobicContact CE2-CB 3.92Å; F153-L365 HydrophobicContact CE2-CD2 4.26Å; F153-R430 HydrophobicContact CB-CB 4.32Å; F153-R430 HydrophobicContact CB-CG 3.77Å; F153-R430 HydrophobicContact CD2-CG 3.82Å; F153-R430 HydrophobicContact CG-CG 3.84Å
154G95.1Very high91Very high0 Ų029.6 Ų29.60%018%0.177CC..  trans-73.9-10-174.200000115.7K152 C197 M324K152-G154 PolarHBondContact O-N 3.08Å; G154-C197 VanDerWaalsContact O-CA 3.24Å; G154-C197 WeakPolarHBondContact O-CA 3.34Å; G154-C197 PolarHBondContact O-SG 3.23Å; G154-M324 WeakPolarHBondContact O-CE 3.16Å
155A92.8Very high90.6Very high1 Ų130.1 Ų30.11%0.00818%0.18CC..  trans-130.8162-170.200000112.8F153 F322 M324 L361 L365F153-A155 VanDerWaalsContact C-N 3.28Å; F153-A155 WeakPolarHBondContact CD1-O 3.19Å; F153-A155 WeakPolarHBondContact CE1-O 3.27Å; F153-A155 HydrophobicContact CE2-CB 3.96Å; F153-A155 HydrophobicContact CZ-CB 4.17Å; F153-A155 PolarHBondContact O-N 3.49Å; A155-F322 HydrophobicContact CB-CB 4.1Å; A155-F322 HydrophobicContact CB-CD2 3.75Å; A155-F322 HydrophobicContact CB-CG 4.09Å; A155-M324 HydrophobicContact CB-SD 3.84Å; A155-L361 HydrophobicContact CB-CD1 4.45Å; A155-L365 HydrophobicContact CB-CD2 3.78Å
156I92.4Very high90Very high1 Ų131.3 Ų31.31%0.00519%0.186CC..EExtended strand (participates in β ladder)trans-112.1106.8176.2-56.8168.6000107.7L158 K169 N170 F322 S323 H325 C326I156-L158 PolarHBondContact O-N 3.07Å; I156-K169 WeakPolarHBondContact CG2-O 3.48Å; I156-N170 VanDerWaalsContact CG2-C 3.44Å; I156-N170 VanDerWaalsContact CG2-O 3.25Å; I156-N170 WeakPolarHBondContact CG2-O 3.47Å; I156-F322 CarbonylContact O-C 3.6Å; I156-F322 WeakPolarHBondContact O-CA 3.49Å; I156-F322 WeakPolarHBondContact O-CB 3.1Å; I156-S323 WeakPolarHBondContact CB-O 3.39Å; I156-S323 PolarHBondContact N-O 3.04Å; I156-S323 PolarHBondContact O-N 3.16Å; I156-H325 VanDerWaalsContact CD1-O 3.32Å; I156-H325 WeakPolarHBondContact CD1-O 3.36Å; I156-C326 HydrophobicContact CD1-CB 4.22Å
157P88.7Confident89.5Confident16 Ų1633.5 Ų33.510%0.10420%0.198CC..EExtended strand (participates in β ladder)trans-50.9129174.9-32.640.6000112.1F153 N170 T368F153-P157 HydrophobicContact CE1-CG 3.7Å; F153-P157 HydrophobicContact CZ-CG 4.09Å; P157-N170 PolarHBondContact O-OD1 3.28Å; P157-T368 VanDerWaalsContact CB-O 3.29Å; P157-T368 WeakPolarHBondContact CB-O 3.3Å
158L85.5Confident89.1Confident77 Ų7733.3 Ų33.340%0.40320%0.197SC..  trans-107.587.3173.3-65.3-177.8000108.4I156 N170 P321I156-L158 PolarHBondContact O-N 3.07Å; L158-N170 HydrophobicContact CD2-CB 4.33Å; L158-P321 PolarHBondContact N-O 2.94Å
159W81.8Confident88.8Confident42 Ų4233.6 Ų33.616%0.15920%0.198CC..  trans-114.4155.7176.575.6-73.8000110.5A161 N166 N170 D370 A372W159-A161 PolarHBondContact O-N 3.02Å; W159-N166 HydrophobicContact CH2-CB 4.27Å; W159-N166 WeakPolarHBondContact CH2-ND2 3.49Å; W159-N166 HydrophobicContact CZ2-CB 3.57Å; W159-N166 WeakPolarHBondContact CZ2-ND2 3.35Å; W159-N166 WeakPolarHBondContact CZ2-OD1 3.31Å; W159-N170 PolarHBondContact NE1-OD1 3.05Å; W159-N170 PolarHBondContact O-ND2 3.38Å; W159-D370 VanDerWaalsContact CD1-CB 3.47Å; W159-D370 HydrophobicContact CD2-CB 4.03Å; W159-D370 VanDerWaalsContact CE2-CB 3.43Å; W159-D370 HydrophobicContact CG-CB 3.96Å; W159-D370 HydrophobicContact CZ2-CB 3.89Å; W159-A372 HydrophobicContact CH2-CB 4.09Å; W159-A372 HydrophobicContact CZ2-CB 4.06Å
160P78.9Confident88.4Confident114 Ų11435 Ų3574%0.7421%0.205SC*.  trans-57.2100-179.4-25.835.4000112.1
161A70.5Confident88Confident28 Ų2835.3 Ų35.323%0.23121%0.211CC..  trans-86.8114.9-177.100000110.4W159 N166 L167W159-A161 PolarHBondContact O-N 3.02Å; A161-N166 HydrophobicContact CB-CB 3.6Å; A161-L167 HydrophobicContact CB-CD2 3.79Å; A161-L167 HydrophobicContact CB-CG 4.06Å
162T74.3Confident87.7Confident138 Ų13835.3 Ų35.385%0.84721%0.211SC*.  trans-98.20.2176.752.90000113.8
163G84.3Confident87.6Confident29 Ų2933.5 Ų33.530%0.29920%0.203SC..SBendtrans-147.9160-178.300000113.6V165 N166 L167G163-V165 VanDerWaalsContact C-N 3.29Å; G163-V165 PolarHBondContact O-N 2.74Å; G163-N166 PolarHBondContact O-N 3.36Å; G163-L167 PolarHBondContact O-N 3.4Å
164V86.8Confident87.6Confident68 Ų6833.9 Ų33.941%0.41221%0.205SC..Hα-helixtrans-56.6-37.9-173.1-64.30000113.7N166 L167 V168 I494 L502V164-N166 VanDerWaalsContact C-N 3.31Å; V164-N166 PolarHBondContact O-N 2.96Å; V164-L167 PolarHBondContact O-N 3.27Å; V164-V168 WeakPolarHBondContact O-CG2 3.37Å; V164-V168 PolarHBondContact O-N 2.61Å; V164-I494 HydrophobicContact CB-CD1 4.17Å; V164-I494 HydrophobicContact CG2-CD1 4.07Å; V164-L502 HydrophobicContact CB-CD1 4.5Å; V164-L502 HydrophobicContact CB-CD2 4.31Å
165V88.6Confident87.6Confident25 Ų2534.5 Ų34.515%0.15221%0.208CC..Hα-helixtrans-57.5-46.3175.2170.60000110.8G163 V168 K169 T487 A490 M491G163-V165 VanDerWaalsContact C-N 3.29Å; G163-V165 PolarHBondContact O-N 2.74Å; V165-V168 PolarHBondContact O-N 2.85Å; V165-K169 HydrophobicContact CG1-CD 4.2Å; V165-K169 VanDerWaalsContact O-CG 3.31Å; V165-K169 WeakPolarHBondContact O-CG 3.19Å; V165-K169 PolarHBondContact O-N 3.49Å; V165-K169 VanDerWaalsContact O-N 3.11Å; V165-T487 HydrophobicContact CG1-CG2 4.36Å; V165-A490 HydrophobicContact CG1-CB 3.92Å; V165-M491 HydrophobicContact CG2-CG 3.88Å; V165-M491 HydrophobicContact CG2-SD 3.4Å; V165-M491 WeakPolarHBondContact CG2-SD 3.26Å
166N86.7Confident87.7Confident25 Ų2534.8 Ų34.813%0.13421%0.21CC..Hα-helixtrans-76-34.4-175.6-59.8-27.7000111.3W159 A161 G163 V164 K169 N170W159-N166 HydrophobicContact CH2-CB 4.27Å; W159-N166 WeakPolarHBondContact CH2-ND2 3.49Å; W159-N166 HydrophobicContact CZ2-CB 3.57Å; W159-N166 WeakPolarHBondContact CZ2-ND2 3.35Å; W159-N166 WeakPolarHBondContact CZ2-OD1 3.31Å; A161-N166 HydrophobicContact CB-CB 3.6Å; G163-N166 PolarHBondContact O-N 3.36Å; V164-N166 VanDerWaalsContact C-N 3.31Å; V164-N166 PolarHBondContact O-N 2.96Å; N166-K169 PolarHBondContact O-N 3.1Å; N166-N170 VanDerWaalsContact O-CG 3.29Å; N166-N170 PolarHBondContact O-N 2.79Å; N166-N170 PolarHBondContact O-OD1 2.79Å
167L88Confident87.8Confident47 Ų4734.8 Ų34.825%0.24621%0.21CC..Hα-helixtrans-58.2-48.9172.1-70.9172.3000110.6A161 G163 V164 K169 N170 S171 L502 L506A161-L167 HydrophobicContact CB-CD2 3.79Å; A161-L167 HydrophobicContact CB-CG 4.06Å; G163-L167 PolarHBondContact O-N 3.4Å; V164-L167 PolarHBondContact O-N 3.27Å; L167-K169 VanDerWaalsContact C-N 3.33Å; L167-K169 PolarHBondContact O-N 3.26Å; L167-N170 CarbonylContact O-C 3.55Å; L167-N170 WeakPolarHBondContact O-CA 3.36Å; L167-N170 WeakPolarHBondContact O-CB 3.36Å; L167-N170 PolarHBondContact O-N 2.96Å; L167-S171 PolarHBondContact O-N 3.02Å; L167-S171 VanDerWaalsContact O-N 3.11Å; L167-S171 PolarHBondContact O-OG 3.47Å; L167-L502 HydrophobicContact CB-CD2 3.85Å; L167-L502 HydrophobicContact CD1-CD2 4.3Å; L167-L506 HydrophobicContact CD1-CD1 3.65Å
168V90.7Very high88.1Confident0 Ų036.6 Ų36.60%022%0.215CC..Hα-helixtrans-61.9-40.1177.3167.90000112.7V164 V165 N170 S171 A172 L177 A490 I494 L501 L502V164-V168 WeakPolarHBondContact O-CG2 3.37Å; V164-V168 PolarHBondContact O-N 2.61Å; V165-V168 PolarHBondContact O-N 2.85Å; V168-N170 PolarHBondContact O-N 3.45Å; V168-S171 PolarHBondContact O-N 3.44Å; V168-S171 VanDerWaalsContact O-N 3.09Å; V168-A172 PolarHBondContact O-N 3.06Å; V168-L177 HydrophobicContact CG1-CD1 4.06Å; V168-L177 HydrophobicContact CG1-CD2 3.58Å; V168-A490 HydrophobicContact CG1-CB 4.41Å; V168-I494 HydrophobicContact CB-CD1 4.4Å; V168-I494 HydrophobicContact CB-CG1 4.12Å; V168-I494 HydrophobicContact CG1-CG1 4.4Å; V168-I494 HydrophobicContact CG2-CD1 3.79Å; V168-I494 HydrophobicContact CG2-CG1 3.26Å; V168-L501 HydrophobicContact CG1-CB 4.32Å; V168-L501 HydrophobicContact CG1-CD1 3.91Å; V168-L501 HydrophobicContact CG1-CD2 4.44Å; V168-L501 HydrophobicContact CG1-CG 4.47Å; V168-L501 HydrophobicContact CG2-CB 3.78Å; V168-L502 HydrophobicContact CG2-CD2 3.68Å; V168-L502 HydrophobicContact CG2-CG 3.94Å
169K91.6Very high88.5Confident16 Ų1633.3 Ų33.37%0.0720%0.198CC..Hα-helixtrans-65.6-26.1175.2-68.917775.9177.40113I156 V165 N166 L167 D370 E486 A490I156-K169 WeakPolarHBondContact CG2-O 3.48Å; V165-K169 HydrophobicContact CG1-CD 4.2Å; V165-K169 VanDerWaalsContact O-CG 3.31Å; V165-K169 WeakPolarHBondContact O-CG 3.19Å; V165-K169 PolarHBondContact O-N 3.49Å; V165-K169 VanDerWaalsContact O-N 3.11Å; N166-K169 PolarHBondContact O-N 3.1Å; L167-K169 VanDerWaalsContact C-N 3.33Å; L167-K169 PolarHBondContact O-N 3.26Å; K169-D370 WeakPolarHBondContact CE-OD2 3.35Å; K169-D370 IonicContact NZ-OD1 3.43Å; K169-D370 PolarHBondContact NZ-OD1 3.14Å; K169-D370 IonicContact NZ-OD2 2.61Å; K169-D370 PolarHBondContact NZ-OD2 3.17Å; K169-E486 WeakPolarHBondContact CE-OE2 3.29Å; K169-E486 IonicContact NZ-OE2 2.8Å; K169-E486 PolarHBondContact NZ-OE2 2.91Å; K169-A490 HydrophobicContact CD-CB 4.39Å; K169-A490 HydrophobicContact CG-CB 3.99Å
170N90.5Very high88.8Confident29 Ų2932.3 Ų32.316%0.15520%0.195CC..Hα-helixtrans-82.1-14.4173.1-71.26.3000113I156 P157 L158 W159 N166 L167 V168I156-N170 VanDerWaalsContact CG2-C 3.44Å; I156-N170 VanDerWaalsContact CG2-O 3.25Å; I156-N170 WeakPolarHBondContact CG2-O 3.47Å; P157-N170 PolarHBondContact O-OD1 3.28Å; L158-N170 HydrophobicContact CD2-CB 4.33Å; W159-N170 PolarHBondContact NE1-OD1 3.05Å; W159-N170 PolarHBondContact O-ND2 3.38Å; N166-N170 VanDerWaalsContact O-CG 3.29Å; N166-N170 PolarHBondContact O-N 2.79Å; N166-N170 PolarHBondContact O-OD1 2.79Å; L167-N170 CarbonylContact O-C 3.55Å; L167-N170 WeakPolarHBondContact O-CA 3.36Å; L167-N170 WeakPolarHBondContact O-CB 3.36Å; L167-N170 PolarHBondContact O-N 2.96Å; V168-N170 PolarHBondContact O-N 3.45Å
171S89.3Confident89.4Confident33 Ų3328.2 Ų28.223%0.23117%0.165CC..Hα-helixtrans-96.4-29.5-174.5-60.90000114L167 V168 A327 L501L167-S171 PolarHBondContact O-N 3.02Å; L167-S171 VanDerWaalsContact O-N 3.11Å; L167-S171 PolarHBondContact O-OG 3.47Å; V168-S171 PolarHBondContact O-N 3.44Å; V168-S171 VanDerWaalsContact O-N 3.09Å; S171-A327 WeakPolarHBondContact O-CB 3.31Å; S171-A327 PolarHBondContact O-N 3.27Å; S171-L501 PolarHBondContact OG-O 2.63Å
172A92.2Very high90.4Very high1 Ų129.5 Ų29.51%0.00817%0.173CC..SBendtrans-141.4152.2-173.700000112.7V168 L177 L328 L501V168-A172 PolarHBondContact O-N 3.06Å; A172-L177 HydrophobicContact CB-CD1 4.48Å; A172-L177 HydrophobicContact CB-CD2 3.9Å; A172-L177 HydrophobicContact CB-CG 3.97Å; A172-L328 HydrophobicContact CB-CD1 3.96Å; A172-L328 HydrophobicContact CB-CG 4.01Å; A172-L501 HydrophobicContact CB-CD2 3.81Å
173S94.8Very high91.1Very high0 Ų025.9 Ų25.90%015%0.153CC..  trans-61.3141.7176.793.60000110.3F175 C176 L177 C326S173-F175 PolarHBondContact O-N 3.29Å; S173-F175 VanDerWaalsContact O-N 3.16Å; S173-C176 PolarHBondContact O-N 3.44Å; S173-C176 PolarHBondContact OG-N 2.82Å; S173-C176 PolarHBondContact OG-SG 3.24Å; S173-L177 WeakPolarHBondContact O-CG 3.44Å; S173-L177 PolarHBondContact O-N 3.13Å; S173-C326 PolarHBondContact N-SG 3.27Å
174L95Very high91.4Very high21 Ų2126.1 Ų26.111%0.1115%0.146CC..Hα-helixtrans-60.1-29.2179.2179.462.9000112.3R178 E486 V489L174-R178 HydrophobicContact CD1-CG 4.37Å; L174-R178 HydrophobicContact CG-CG 4.5Å; L174-R178 WeakPolarHBondContact O-CB 3.4Å; L174-R178 WeakPolarHBondContact O-CD 3.31Å; L174-R178 WeakPolarHBondContact O-CG 3.4Å; L174-R178 PolarHBondContact O-N 3.27Å; L174-E486 HydrophobicContact CD1-CG 3.94Å; L174-E486 HydrophobicContact CD2-CG 3.91Å; L174-E486 WeakPolarHBondContact CD2-OE1 3.22Å; L174-V489 HydrophobicContact CD1-CG1 4.27Å
175F96.3Very high91.5Very high13 Ų1327.5 Ų27.56%0.05714%0.144CC..Hα-helixtrans-65.7-46.8175179.3-91.9000111.4K152 S173 R178 Q179 Y194 P196 N221K152-F175 HydrophobicContact CB-CD2 4.41Å; K152-F175 HydrophobicContact CD-CD2 4.5Å; K152-F175 HydrophobicContact CG-CD2 3.69Å; K152-F175 HydrophobicContact CG-CE2 4.21Å; K152-F175 HydrophobicContact CG-CG 4.44Å; S173-F175 PolarHBondContact O-N 3.29Å; S173-F175 VanDerWaalsContact O-N 3.16Å; F175-R178 WeakPolarHBondContact O-CB 3.29Å; F175-R178 PolarHBondContact O-N 3.21Å; F175-R178 VanDerWaalsContact O-N 3.14Å; F175-Q179 HydrophobicContact CD1-CG 4.3Å; F175-Q179 HydrophobicContact CE1-CG 3.9Å; F175-Q179 HydrophobicContact CZ-CG 4.39Å; F175-Q179 PolarHBondContact O-N 3.47Å; F175-Q179 VanDerWaalsContact O-N 3.08Å; F175-Y194 HydrophobicContact CD1-CD1 4.04Å; F175-Y194 WeakPolarHBondContact CD1-O 3.43Å; F175-Y194 AromaticContact CE1-CD1 3.63Å; F175-Y194 HydrophobicContact CE1-CD1 3.63Å; F175-Y194 HydrophobicContact CE1-CG 4.35Å; F175-Y194 WeakPolarHBondContact CE1-O 3.21Å; F175-Y194 HydrophobicContact CE2-CD1 4.31Å; F175-Y194 AromaticContact CZ-CD1 3.75Å; F175-Y194 HydrophobicContact CZ-CD1 3.75Å; F175-P196 HydrophobicContact CB-CG 3.55Å; F175-P196 HydrophobicContact CD1-CG 4.43Å; F175-P196 HydrophobicContact CG-CG 4.01Å; F175-N221 WeakPolarHBondContact CE2-ND2 3.08Å
176C95.2Very high91.6Very high8 Ų831.1 Ų31.15%0.05417%0.17CC..Hα-helixtrans-64.5-44.6179.5-58.10000110.7S173 R178 Q179 L328 H329S173-C176 PolarHBondContact O-N 3.44Å; S173-C176 PolarHBondContact OG-N 2.82Å; S173-C176 PolarHBondContact OG-SG 3.24Å; C176-R178 VanDerWaalsContact C-N 3.25Å; C176-R178 PolarHBondContact O-N 3.43Å; C176-Q179 WeakPolarHBondContact O-CB 3.45Å; C176-Q179 PolarHBondContact O-N 3.06Å; C176-L328 HydrophobicContact CB-CD1 3.66Å; C176-H329 PolarHBondContact SG-NE2 3.28Å
177L94.7Very high91.8Very high1 Ų135.8 Ų35.81%0.00519%0.186CC..Hα-helixtrans-57.8-38.6172.6-64.9174.2000112V168 A172 S173 Q179 E180 L328 V489 A493 L501V168-L177 HydrophobicContact CG1-CD1 4.06Å; V168-L177 HydrophobicContact CG1-CD2 3.58Å; A172-L177 HydrophobicContact CB-CD1 4.48Å; A172-L177 HydrophobicContact CB-CD2 3.9Å; A172-L177 HydrophobicContact CB-CG 3.97Å; S173-L177 WeakPolarHBondContact O-CG 3.44Å; S173-L177 PolarHBondContact O-N 3.13Å; L177-Q179 VanDerWaalsContact C-N 3.33Å; L177-Q179 PolarHBondContact O-N 3.36Å; L177-E180 WeakPolarHBondContact O-CB 3.17Å; L177-E180 PolarHBondContact O-N 2.92Å; L177-L328 HydrophobicContact CD2-CD1 4.31Å; L177-V489 HydrophobicContact CB-CG1 3.69Å; L177-A493 HydrophobicContact CB-CB 4.46Å; L177-A493 HydrophobicContact CD2-CB 3.59Å; L177-L501 HydrophobicContact CD2-CD1 3.96Å; L177-L501 HydrophobicContact CD2-CD2 4.02Å
178R94.4Very high91.9Very high54 Ų5434.5 Ų34.520%0.20418%0.178CC..Hα-helixtrans-66.8-30.2176.3-79169.4179.4-104.3-2.7113.3L174 F175 C176 E180 H181 K184 L485 V489L174-R178 HydrophobicContact CD1-CG 4.37Å; L174-R178 HydrophobicContact CG-CG 4.5Å; L174-R178 WeakPolarHBondContact O-CB 3.4Å; L174-R178 WeakPolarHBondContact O-CD 3.31Å; L174-R178 WeakPolarHBondContact O-CG 3.4Å; L174-R178 PolarHBondContact O-N 3.27Å; F175-R178 WeakPolarHBondContact O-CB 3.29Å; F175-R178 PolarHBondContact O-N 3.21Å; F175-R178 VanDerWaalsContact O-N 3.14Å; C176-R178 VanDerWaalsContact C-N 3.25Å; C176-R178 PolarHBondContact O-N 3.43Å; R178-E180 PolarHBondContact O-N 2.97Å; R178-H181 WeakPolarHBondContact O-CB 3.35Å; R178-H181 PolarHBondContact O-N 3.22Å; R178-H181 VanDerWaalsContact O-N 3.12Å; R178-K184 VanDerWaalsContact O-CB 3.29Å; R178-K184 WeakPolarHBondContact O-CB 3.34Å; R178-K184 WeakPolarHBondContact O-CG 3.34Å; R178-L485 VanDerWaalsContact NH2-CD2 3.25Å; R178-V489 HydrophobicContact CG-CG1 3.9Å; R178-V489 HydrophobicContact CG-CG2 3.89Å
179Q93.3Very high91.8Very high8 Ų843.6 Ų43.64%0.03722%0.217CC..Hα-helixtrans-63.2-27.3175.2-65.5-63-46.700111.1F175 C176 L177 L191 Q219F175-Q179 HydrophobicContact CD1-CG 4.3Å; F175-Q179 HydrophobicContact CE1-CG 3.9Å; F175-Q179 HydrophobicContact CZ-CG 4.39Å; F175-Q179 PolarHBondContact O-N 3.47Å; F175-Q179 VanDerWaalsContact O-N 3.08Å; C176-Q179 WeakPolarHBondContact O-CB 3.45Å; C176-Q179 PolarHBondContact O-N 3.06Å; L177-Q179 VanDerWaalsContact C-N 3.33Å; L177-Q179 PolarHBondContact O-N 3.36Å; Q179-L191 HydrophobicContact CB-CD2 4.47Å; Q179-L191 WeakPolarHBondContact O-CD1 3.33Å; Q179-L191 VanDerWaalsContact O-CD2 3.25Å; Q179-L191 WeakPolarHBondContact O-CD2 3.33Å; Q179-Q219 VanDerWaalsContact NE2-OE1 3.12Å
180E87.6Confident91.8Very high21 Ų2147.2 Ų47.210%0.09824%0.238CC..Hα-helixtrans-76.2-21.2175-66.6-62.8164.700113.8L177 R178 R185 A493 R496 Q497L177-E180 WeakPolarHBondContact O-CB 3.17Å; L177-E180 PolarHBondContact O-N 2.92Å; R178-E180 PolarHBondContact O-N 2.97Å; E180-R185 WeakPolarHBondContact O-CD 3.19Å; E180-R185 PolarHBondContact O-NE 3.44Å; E180-R185 IonicContact OE1-NH2 2.94Å; E180-R185 IonicContact OE2-CZ 3.02Å; E180-R185 IonicContact OE2-NE 3.77Å; E180-R185 IonicContact OE2-NH2 3.55Å; E180-R185 PolarHBondContact OE2-NH2 3.37Å; E180-A493 HydrophobicContact CB-CB 4.34Å; E180-R496 WeakPolarHBondContact O-CD 3.03Å; E180-R496 PolarHBondContact O-NE 3.32Å; E180-R496 WeakPolarHBondContact OE2-CD 3.24Å; E180-Q497 HydrophobicContact CG-CG 4.14Å; E180-Q497 PolarHBondContact OE1-NE2 3.41Å
181H92.2Very high91.9Very high27 Ų2748.5 Ų48.513%0.12524%0.244CC..SBendtrans-72.1140.2-176-173.3-94.8000112.4R178 S183 K184 R185 V489 E492R178-H181 WeakPolarHBondContact O-CB 3.35Å; R178-H181 PolarHBondContact O-N 3.22Å; R178-H181 VanDerWaalsContact O-N 3.12Å; H181-S183 VanDerWaalsContact C-N 3.28Å; H181-S183 PolarHBondContact CE1-OG 3.1Å; H181-S183 PolarHBondContact ND1-N 2.8Å; H181-S183 PolarHBondContact ND1-OG 3.2Å; H181-S183 PolarHBondContact O-N 3.26Å; H181-S183 VanDerWaalsContact O-N 3.16Å; H181-K184 PolarHBondContact O-N 3.05Å; H181-R185 PolarHBondContact O-N 2.93Å; H181-R185 VanDerWaalsContact O-N 3.09Å; H181-V489 HydrophobicContact CB-CG2 4.07Å; H181-E492 IonicContact CD2-OE2 2.83Å; H181-E492 PolarHBondContact CD2-OE2 3.26Å; H181-E492 IonicContact CG-OE2 3.06Å; H181-E492 IonicContact NE2-OE2 3.75Å
182S91.4Very high92.1Very high55 Ų5547.4 Ų47.439%0.38524%0.237SC..Hα-helixtrans-48.7-44-177.8490000113.3K184 R185 S186 E492S182-K184 PolarHBondContact O-N 2.85Å; S182-R185 PolarHBondContact O-N 2.96Å; S182-S186 WeakPolarHBondContact O-CB 3.2Å; S182-S186 PolarHBondContact O-N 2.95Å; S182-S186 PolarHBondContact O-OG 3.37Å; S182-E492 WeakPolarHBondContact CA-OE1 3.38Å; S182-E492 WeakPolarHBondContact CB-OE1 3.47Å; S182-E492 WeakPolarHBondContact CB-OE2 3.19Å; S182-E492 PolarHBondContact N-OE1 3.47Å; S182-E492 PolarHBondContact N-OE2 3.28Å; S182-E492 PolarHBondContact OG-OE2 2.61Å
183S89.6Confident92.2Very high62 Ų6250.4 Ų50.443%0.43426%0.255SS..Hα-helixtrans-65-23.2179.373.20000114.8H181 S186 R187H181-S183 VanDerWaalsContact C-N 3.28Å; H181-S183 PolarHBondContact CE1-OG 3.1Å; H181-S183 PolarHBondContact ND1-N 2.8Å; H181-S183 PolarHBondContact ND1-OG 3.2Å; H181-S183 PolarHBondContact O-N 3.26Å; H181-S183 VanDerWaalsContact O-N 3.16Å; S183-S186 PolarHBondContact O-OG 3.04Å; S183-R187 VanDerWaalsContact O-CB 3.23Å; S183-R187 WeakPolarHBondContact O-CB 2.99Å
184K90.7Very high92.3Very high34 Ų3450.4 Ų50.415%0.14826%0.255CS..Hα-helixtrans-86.4-44173.3-77.4-70.8-174.2170.10110.9R178 H181 S182 S186 R187 W188R178-K184 VanDerWaalsContact O-CB 3.29Å; R178-K184 WeakPolarHBondContact O-CB 3.34Å; R178-K184 WeakPolarHBondContact O-CG 3.34Å; H181-K184 PolarHBondContact O-N 3.05Å; S182-K184 PolarHBondContact O-N 2.85Å; K184-S186 VanDerWaalsContact C-N 3.25Å; K184-S186 PolarHBondContact O-N 2.99Å; K184-R187 PolarHBondContact O-N 2.79Å; K184-R187 VanDerWaalsContact O-N 3.11Å; K184-W188 PolarHBondContact O-N 3.42Å
185R89.9Confident92.4Very high98 Ų9849.4 Ų49.437%0.3725%0.25SC..Hα-helixtrans-58.2-35.1174.3-72.4177.8166.3-85.30.9113E180 H181 S182 L191E180-R185 WeakPolarHBondContact O-CD 3.19Å; E180-R185 PolarHBondContact O-NE 3.44Å; E180-R185 IonicContact OE1-NH2 2.94Å; E180-R185 IonicContact OE2-CZ 3.02Å; E180-R185 IonicContact OE2-NE 3.77Å; E180-R185 IonicContact OE2-NH2 3.55Å; E180-R185 PolarHBondContact OE2-NH2 3.37Å; H181-R185 PolarHBondContact O-N 2.93Å; H181-R185 VanDerWaalsContact O-N 3.09Å; S182-R185 PolarHBondContact O-N 2.96Å; R185-L191 HydrophobicContact CG-CD1 4.17Å; R185-L191 HydrophobicContact CG-CD2 3.97Å
186S90.7Very high92.4Very high101 Ų10148.8 Ų48.871%0.70625%0.247SC*.THydrogen-bonded Turntrans-79.9-25.1177.171.10000113.2S182 S183 K184S182-S186 WeakPolarHBondContact O-CB 3.2Å; S182-S186 PolarHBondContact O-N 2.95Å; S182-S186 PolarHBondContact O-OG 3.37Å; S183-S186 PolarHBondContact O-OG 3.04Å; K184-S186 VanDerWaalsContact C-N 3.25Å; K184-S186 PolarHBondContact O-N 2.99Å
187R89.1Confident92.4Very high122 Ų12248.4 Ų48.446%0.4624%0.244SC..THydrogen-bonded Turntrans-87.8-36.1-174.7176.9176.2173.6161.23.2112.6S183 K184S183-R187 VanDerWaalsContact O-CB 3.23Å; S183-R187 WeakPolarHBondContact O-CB 2.99Å; K184-R187 PolarHBondContact O-N 2.79Å; K184-R187 VanDerWaalsContact O-N 3.11Å
188W90.2Very high92.4Very high21 Ų2148.6 Ų48.68%0.0825%0.245CC..  trans-116132.7-174.1-55.8123.8000109.9K184 D190 Q219 N220 H234K184-W188 PolarHBondContact O-N 3.42Å; W188-D190 VanDerWaalsContact C-N 3.29Å; W188-D190 PolarHBondContact O-N 3.37Å; W188-Q219 HydrophobicContact CD2-CB 4.06Å; W188-Q219 HydrophobicContact CD2-CG 3.85Å; W188-Q219 HydrophobicContact CE3-CB 4.39Å; W188-Q219 HydrophobicContact CE3-CG 4.35Å; W188-Q219 HydrophobicContact CG-CG 3.95Å; W188-Q219 HydrophobicContact CH2-CB 4.13Å; W188-Q219 HydrophobicContact CZ2-CB 3.77Å; W188-Q219 HydrophobicContact CZ2-CG 4.46Å; W188-Q219 HydrophobicContact CZ3-CB 4.42Å; W188-N220 HydrophobicContact CH2-CB 4.07Å; W188-N220 HydrophobicContact CZ2-CB 4.03Å; W188-H234 AromaticContact CE3-CE1 3.87Å; W188-H234 AromaticContact CE3-NE2 3.73Å; W188-H234 HydrophobicContact CZ3-CB 4.41Å; W188-H234 AromaticContact CZ3-CD2 3.57Å; W188-H234 AromaticContact CZ3-CG 3.79Å; W188-H234 AromaticContact CZ3-NE2 3.73Å
189K88.6Confident92.5Very high190 Ų19046 Ų4683%0.82624%0.236SC*.SBendtrans-57.6-45.6174.6-175.8-176.2175.4-172.50111.3
190D91.8Very high92.6Very high93 Ų9345.8 Ų45.850%0.49723%0.234SC..SBendtrans-116.7135.3-177.6-56.5-66.4000110.9W188 T217 Q219W188-D190 VanDerWaalsContact C-N 3.29Å; W188-D190 PolarHBondContact O-N 3.37Å; D190-T217 HydrophobicContact CB-CG2 4.09Å; D190-Q219 PolarHBondContact O-NE2 3.46Å
191L92.7Very high92.7Very high56 Ų5645.4 Ų45.429%0.29323%0.234SC..  trans-79.2138.2172.6-63.8-175.1000109.9Q179 R185Q179-L191 HydrophobicContact CB-CD2 4.47Å; Q179-L191 WeakPolarHBondContact O-CD1 3.33Å; Q179-L191 VanDerWaalsContact O-CD2 3.25Å; Q179-L191 WeakPolarHBondContact O-CD2 3.33Å; R185-L191 HydrophobicContact CG-CD1 4.17Å; R185-L191 HydrophobicContact CG-CD2 3.97Å
192S94.6Very high92.6Very high10 Ų1044.7 Ų44.77%0.0723%0.234CC..  trans-82.5131.8-176.8170.10000111Y194S192-Y194 VanDerWaalsContact C-N 3.28Å; S192-Y194 WeakPolarHBondContact OG-CB 3.39Å; S192-Y194 PolarHBondContact OG-N 2.94Å
193T93.5Very high92.5Very high64 Ų6444 Ų4439%0.39323%0.225SC..  trans-81.5-6.1171.154.60000113.4C195 A213 H329T193-C195 PolarHBondContact O-N 3.4Å; T193-A213 WeakPolarHBondContact OG1-CB 3.09Å; T193-H329 PolarHBondContact O-CE1 2.76Å
194Y96.7Very high92.7Very high0 Ų047.2 Ų47.20%023%0.228CC..  trans-56128.4175.6169.5-117.7000112P151 F175 S192 P196 L199 G210 L214P151-Y194 WeakPolarHBondContact CA-OH 3.5Å; P151-Y194 PolarHBondContact O-OH 3.02Å; F175-Y194 HydrophobicContact CD1-CD1 4.04Å; F175-Y194 WeakPolarHBondContact CD1-O 3.43Å; F175-Y194 AromaticContact CE1-CD1 3.63Å; F175-Y194 HydrophobicContact CE1-CD1 3.63Å; F175-Y194 HydrophobicContact CE1-CG 4.35Å; F175-Y194 WeakPolarHBondContact CE1-O 3.21Å; F175-Y194 HydrophobicContact CE2-CD1 4.31Å; F175-Y194 AromaticContact CZ-CD1 3.75Å; F175-Y194 HydrophobicContact CZ-CD1 3.75Å; S192-Y194 VanDerWaalsContact C-N 3.28Å; S192-Y194 WeakPolarHBondContact OG-CB 3.39Å; S192-Y194 PolarHBondContact OG-N 2.94Å; Y194-P196 HydrophobicContact CE1-CG 3.85Å; Y194-L199 HydrophobicContact CE2-CB 4.27Å; Y194-L199 WeakPolarHBondContact OH-CD2 3.44Å; Y194-G210 WeakPolarHBondContact CD2-O 3.42Å; Y194-L214 HydrophobicContact CD1-CD2 3.77Å; Y194-L214 HydrophobicContact CD1-CG 4.33Å; Y194-L214 HydrophobicContact CD2-CD1 3.94Å; Y194-L214 HydrophobicContact CD2-CD2 4Å; Y194-L214 HydrophobicContact CD2-CG 3.63Å; Y194-L214 HydrophobicContact CE1-CD2 4.07Å; Y194-L214 HydrophobicContact CE2-CD1 3.75Å; Y194-L214 HydrophobicContact CE2-CD2 4.3Å; Y194-L214 HydrophobicContact CE2-CG 3.96Å; Y194-L214 HydrophobicContact CG-CD2 3.72Å; Y194-L214 HydrophobicContact CG-CG 3.82Å
195C96.9Very high92.8Very high0 Ų049.2 Ų49.20%024%0.24CC..  trans-115.5122.2168.4-176.20000109.9T193 C197 D198T193-C195 PolarHBondContact O-N 3.4Å; C195-C197 PolarHBondContact O-N 3.27Å; C195-D198 WeakPolarHBondContact CB-OD2 3.47Å; C195-D198 WeakPolarHBondContact O-CB 3.42Å; C195-D198 PolarHBondContact O-N 3.4Å
196P97.6Very high93Very high0 Ų046.1 Ų46.10%023%0.229CC..Hα-helixtrans-54.3-34.9174.7-30.938.4000113.8P151 K152 F153 F175 Y194 D198 L199 F200P151-P196 WeakPolarHBondContact O-CB 3.47Å; K152-P196 HydrophobicContact CB-CB 4.38Å; K152-P196 HydrophobicContact CB-CG 3.73Å; K152-P196 HydrophobicContact CG-CG 4.45Å; F153-P196 WeakPolarHBondContact O-CB 3.42Å; F175-P196 HydrophobicContact CB-CG 3.55Å; F175-P196 HydrophobicContact CD1-CG 4.43Å; F175-P196 HydrophobicContact CG-CG 4.01Å; Y194-P196 HydrophobicContact CE1-CG 3.85Å; P196-D198 PolarHBondContact O-N 3.25Å; P196-L199 WeakPolarHBondContact O-CB 3.46Å; P196-L199 PolarHBondContact O-N 3.19Å; P196-L199 VanDerWaalsContact O-N 3.1Å; P196-F200 WeakPolarHBondContact O-CD2 3.32Å; P196-F200 PolarHBondContact O-N 3.09Å
197C95.1Very high93.2Very high0 Ų041.3 Ų41.30%020%0.195CC..Hα-helixtrans-60.4-29.1179.4-57.20000112.7G154 C195 S201 R206 M324G154-C197 VanDerWaalsContact O-CA 3.24Å; G154-C197 WeakPolarHBondContact O-CA 3.34Å; G154-C197 PolarHBondContact O-SG 3.23Å; C195-C197 PolarHBondContact O-N 3.27Å; C197-S201 VanDerWaalsContact O-CB 3.23Å; C197-S201 WeakPolarHBondContact O-CB 3.43Å; C197-S201 PolarHBondContact O-N 3.15Å; C197-S201 VanDerWaalsContact O-N 3.07Å; C197-R206 PolarHBondContact O-NH2 2.99Å; C197-M324 HydrophobicContact CB-CB 4.35Å; C197-M324 VanDerWaalsContact CB-O 3.23Å; C197-M324 WeakPolarHBondContact CB-O 3.16Å
198D94.7Very high93.6Very high5 Ų535.6 Ų35.63%0.02717%0.174CC..Hα-helixtrans-68.7-44.6175.6-66.3-24.7000111.6C195 P196 F200 S201 R206 L207 H209C195-D198 WeakPolarHBondContact CB-OD2 3.47Å; C195-D198 WeakPolarHBondContact O-CB 3.42Å; C195-D198 PolarHBondContact O-N 3.4Å; P196-D198 PolarHBondContact O-N 3.25Å; D198-F200 VanDerWaalsContact C-N 3.3Å; D198-F200 PolarHBondContact O-N 2.91Å; D198-S201 PolarHBondContact O-N 3.31Å; D198-S201 PolarHBondContact O-OG 3.11Å; D198-R206 HydrophobicContact CB-CB 3.98Å; D198-R206 WeakPolarHBondContact CB-O 3.21Å; D198-R206 IonicContact OD1-CZ 3.48Å; D198-R206 IonicContact OD1-NE 3.61Å; D198-R206 PolarHBondContact OD1-NE 3.46Å; D198-R206 IonicContact OD1-NH2 2.81Å; D198-R206 PolarHBondContact OD1-NH2 3.34Å; D198-L207 PolarHBondContact O-N 3.11Å; D198-H209 IonicContact OD2-CD2 2.83Å
199L95.2Very high93.8Very high0 Ų036.3 Ų36.30%018%0.178CC..Hα-helixtrans-60.3-41179.4-168.571.2000111.7I149 P151 Y194 P196 L207 L211 L297 L357I149-L199 HydrophobicContact CG2-CD2 4.38Å; P151-L199 HydrophobicContact CB-CD2 3.59Å; Y194-L199 HydrophobicContact CE2-CB 4.27Å; Y194-L199 WeakPolarHBondContact OH-CD2 3.44Å; P196-L199 WeakPolarHBondContact O-CB 3.46Å; P196-L199 PolarHBondContact O-N 3.19Å; P196-L199 VanDerWaalsContact O-N 3.1Å; L199-L207 HydrophobicContact CD1-CD2 4.19Å; L199-L207 HydrophobicContact CD1-CG 4.13Å; L199-L211 HydrophobicContact CD1-CD2 4.18Å; L199-L211 HydrophobicContact CD1-CG 4.4Å; L199-L297 HydrophobicContact CD1-CD1 3.92Å; L199-L357 HydrophobicContact CD2-CD2 4.04Å; L199-L357 HydrophobicContact CG-CD1 4.37Å; L199-L357 HydrophobicContact CG-CD2 3.98Å; L199-L357 VanDerWaalsContact O-CD1 3.32Å; L199-L357 WeakPolarHBondContact O-CD1 3.48Å
200F95.2Very high94.2Very high3 Ų327.2 Ų27.21%0.01314%0.139CC..THydrogen-bonded Turntrans-941-176.2-72.2-80000114.5P151 P196 D198 G202 M324 L351 L357 I360 L361P151-F200 HydrophobicContact CB-CE2 3.69Å; P151-F200 HydrophobicContact CB-CZ 3.74Å; P151-F200 HydrophobicContact CG-CE2 4.41Å; P151-F200 HydrophobicContact CG-CZ 4.06Å; P196-F200 WeakPolarHBondContact O-CD2 3.32Å; P196-F200 PolarHBondContact O-N 3.09Å; D198-F200 VanDerWaalsContact C-N 3.3Å; D198-F200 PolarHBondContact O-N 2.91Å; F200-G202 VanDerWaalsContact C-N 3.25Å; F200-G202 PolarHBondContact O-N 3.16Å; F200-M324 VanDerWaalsContact C-CE 3.44Å; F200-M324 HydrophobicContact CB-CE 3.41Å; F200-M324 VanDerWaalsContact CB-CE 3.41Å; F200-M324 WeakPolarHBondContact O-CE 3.41Å; F200-L351 HydrophobicContact CB-CD1 4.44Å; F200-L351 HydrophobicContact CD1-CD1 4.16Å; F200-L351 WeakPolarHBondContact O-CD1 3.32Å; F200-L357 HydrophobicContact CD1-CB 4.09Å; F200-L357 HydrophobicContact CD1-CD2 4.07Å; F200-L357 HydrophobicContact CE1-CB 4.22Å; F200-L357 HydrophobicContact CE1-CD2 3.77Å; F200-L357 WeakPolarHBondContact CE1-O 3.49Å; F200-L357 HydrophobicContact CZ-CD2 4.18Å; F200-I360 HydrophobicContact CE1-CB 4.14Å; F200-I360 HydrophobicContact CE1-CG2 3.96Å; F200-I360 HydrophobicContact CZ-CB 4.45Å; F200-I360 HydrophobicContact CZ-CG2 3.82Å; F200-L361 HydrophobicContact CB-CD1 4.34Å; F200-L361 HydrophobicContact CB-CD2 4.31Å; F200-L361 HydrophobicContact CD1-CB 3.76Å; F200-L361 HydrophobicContact CD1-CD1 4.24Å; F200-L361 HydrophobicContact CD1-CD2 4.49Å; F200-L361 HydrophobicContact CD1-CG 4.38Å; F200-L361 HydrophobicContact CE1-CB 4.08Å; F200-L361 HydrophobicContact CG-CD1 4.33Å
201S91Very high94.5Very high13 Ų1322.8 Ų22.89%0.09112%0.115CC..SBendtrans-69.3-16.8-173.962.10000115.1C197 D198 D203 R206C197-S201 VanDerWaalsContact O-CB 3.23Å; C197-S201 WeakPolarHBondContact O-CB 3.43Å; C197-S201 PolarHBondContact O-N 3.15Å; C197-S201 VanDerWaalsContact O-N 3.07Å; D198-S201 PolarHBondContact O-N 3.31Å; D198-S201 PolarHBondContact O-OG 3.11Å; S201-D203 PolarHBondContact O-N 3.12Å; S201-D203 VanDerWaalsContact O-N 3.15Å; S201-D203 WeakPolarHBondContact OG-CB 3.46Å; S201-D203 PolarHBondContact OG-N 2.96Å; S201-D203 VanDerWaalsContact OG-N 3.15Å; S201-R206 VanDerWaalsContact CB-NH1 3.3Å
202G88.7Confident94.7Very high11 Ų1123.1 Ų23.111%0.11312%0.117CC..SBendtrans72.8-10.6-167.300000114.3F200F200-G202 VanDerWaalsContact C-N 3.25Å; F200-G202 PolarHBondContact O-N 3.16Å
203D91.1Very high94.8Very high40 Ų4022.8 Ų22.821%0.21412%0.115CC..  trans-80.2124.1174.8-178.2-57.6000109.5S201 D205 R206 L207 C349S201-D203 PolarHBondContact O-N 3.12Å; S201-D203 VanDerWaalsContact O-N 3.15Å; S201-D203 WeakPolarHBondContact OG-CB 3.46Å; S201-D203 PolarHBondContact OG-N 2.96Å; S201-D203 VanDerWaalsContact OG-N 3.15Å; D203-D205 PolarHBondContact O-N 3.3Å; D203-D205 WeakPolarHBondContact OD1-CA 3.32Å; D203-D205 PolarHBondContact OD1-N 2.96Å; D203-R206 HydrophobicContact CB-CB 4.01Å; D203-R206 HydrophobicContact CB-CG 3.98Å; D203-R206 PolarHBondContact OD1-N 3.4Å; D203-L207 VanDerWaalsContact O-CB 3.28Å; D203-L207 WeakPolarHBondContact O-CB 3.48Å; D203-L207 PolarHBondContact O-N 3.45Å; D203-C349 HydrophobicContact CB-CB 4.16Å
204R93.3Very high95Very high131 Ų13119.7 Ų19.749%0.49410%0.096SC..Hα-helixtrans-67.7-35.1-174.1-63.9177.466.280.4-1.2112.5V208 L294 L298R204-V208 WeakPolarHBondContact O-CB 3.35Å; R204-V208 VanDerWaalsContact O-CG2 3.26Å; R204-V208 WeakPolarHBondContact O-CG2 3.3Å; R204-V208 PolarHBondContact O-N 3.02Å; R204-L294 HydrophobicContact CB-CD1 4.39Å; R204-L294 VanDerWaalsContact NH2-CD2 3.3Å; R204-L298 HydrophobicContact CG-CD1 4.22Å
205D92.7Very high95.1Very high75 Ų7520.1 Ų20.140%0.40110%0.098SC..Hα-helixtrans-75.7-40.4-178.1-69.8-37.2000110.6D203 V208 H209D203-D205 PolarHBondContact O-N 3.3Å; D203-D205 WeakPolarHBondContact OD1-CA 3.32Å; D203-D205 PolarHBondContact OD1-N 2.96Å; D205-V208 PolarHBondContact O-N 3.37Å; D205-H209 PolarHBondContact O-N 3.11Å
206R93.9Very high95Very high33 Ų3325 Ų2513%0.12513%0.128CC..Hα-helixtrans-61.5-47.1170.3-66-176.762.6-165.7-0.8111.3C197 D198 S201 D203 V208 H209 G210 M324C197-R206 PolarHBondContact O-NH2 2.99Å; D198-R206 HydrophobicContact CB-CB 3.98Å; D198-R206 WeakPolarHBondContact CB-O 3.21Å; D198-R206 IonicContact OD1-CZ 3.48Å; D198-R206 IonicContact OD1-NE 3.61Å; D198-R206 PolarHBondContact OD1-NE 3.46Å; D198-R206 IonicContact OD1-NH2 2.81Å; D198-R206 PolarHBondContact OD1-NH2 3.34Å; S201-R206 VanDerWaalsContact CB-NH1 3.3Å; D203-R206 HydrophobicContact CB-CB 4.01Å; D203-R206 HydrophobicContact CB-CG 3.98Å; D203-R206 PolarHBondContact OD1-N 3.4Å; R206-V208 VanDerWaalsContact C-N 3.28Å; R206-V208 PolarHBondContact O-N 3.05Å; R206-H209 WeakPolarHBondContact O-CA 3.36Å; R206-H209 WeakPolarHBondContact O-CB 3.45Å; R206-H209 PolarHBondContact O-N 3.47Å; R206-H209 VanDerWaalsContact O-N 3.08Å; R206-G210 PolarHBondContact O-N 3Å; R206-M324 PolarHBondContact NH1-O 3.24Å; R206-M324 PolarHBondContact NH2-O 2.86Å
207L95.3Very high95Very high0 Ų026 Ų260%013%0.134CC..Hα-helixtrans-57.4-44.1178.1-164.7163.1000111D198 L199 D203 G210 L211 L294 L297 L298 L357D198-L207 PolarHBondContact O-N 3.11Å; L199-L207 HydrophobicContact CD1-CD2 4.19Å; L199-L207 HydrophobicContact CD1-CG 4.13Å; D203-L207 VanDerWaalsContact O-CB 3.28Å; D203-L207 WeakPolarHBondContact O-CB 3.48Å; D203-L207 PolarHBondContact O-N 3.45Å; L207-G210 PolarHBondContact O-N 2.98Å; L207-L211 HydrophobicContact CD2-CD1 3.42Å; L207-L211 VanDerWaalsContact CD2-CD1 3.42Å; L207-L211 HydrophobicContact CD2-CG 3.9Å; L207-L211 WeakPolarHBondContact O-CG 3.37Å; L207-L211 PolarHBondContact O-N 2.94Å; L207-L294 HydrophobicContact CB-CD1 4.22Å; L207-L294 HydrophobicContact CD1-CD1 4Å; L207-L294 HydrophobicContact CD2-CD1 3.69Å; L207-L294 HydrophobicContact CG-CD1 4.17Å; L207-L297 HydrophobicContact CD2-CD1 4.07Å; L207-L298 HydrophobicContact CD1-CD1 4.22Å; L207-L298 HydrophobicContact CD1-CD2 3.78Å; L207-L298 HydrophobicContact CD1-CG 3.95Å; L207-L357 HydrophobicContact CD1-CD1 3.9Å
208V96.1Very high95Very high2 Ų226.4 Ų26.41%0.01214%0.137CC..Hα-helixtrans-64.8-40.9175.4168.80000112.2R204 D205 R206 G210 L211 N212 V289 R290 L294R204-V208 WeakPolarHBondContact O-CB 3.35Å; R204-V208 VanDerWaalsContact O-CG2 3.26Å; R204-V208 WeakPolarHBondContact O-CG2 3.3Å; R204-V208 PolarHBondContact O-N 3.02Å; D205-V208 PolarHBondContact O-N 3.37Å; R206-V208 VanDerWaalsContact C-N 3.28Å; R206-V208 PolarHBondContact O-N 3.05Å; V208-G210 VanDerWaalsContact C-N 3.34Å; V208-G210 PolarHBondContact O-N 3.24Å; V208-L211 PolarHBondContact O-N 3Å; V208-N212 WeakPolarHBondContact CG1-ND2 3.3Å; V208-N212 WeakPolarHBondContact O-CB 3.33Å; V208-N212 PolarHBondContact O-N 2.8Å; V208-N212 PolarHBondContact O-ND2 3.06Å; V208-V289 HydrophobicContact CB-CG1 4.36Å; V208-V289 HydrophobicContact CG1-CG1 3.81Å; V208-V289 HydrophobicContact CG2-CG1 4.22Å; V208-R290 HydrophobicContact CG1-CG 4.25Å; V208-R290 HydrophobicContact CG2-CG 4.05Å; V208-L294 HydrophobicContact CG2-CB 4.48Å; V208-L294 HydrophobicContact CG2-CD1 4.27Å; V208-L294 HydrophobicContact CG2-CD2 3.76Å; V208-L294 HydrophobicContact CG2-CG 4.4Å
209H95.4Very high95Very high36 Ų3626.4 Ų26.417%0.16714%0.136CC..Hα-helixtrans-57.1-48.4172.6176.964.5000111.4D198 D205 R206 L211 N212 A213 F334D198-H209 IonicContact OD2-CD2 2.83Å; D205-H209 PolarHBondContact O-N 3.11Å; R206-H209 WeakPolarHBondContact O-CA 3.36Å; R206-H209 WeakPolarHBondContact O-CB 3.45Å; R206-H209 PolarHBondContact O-N 3.47Å; R206-H209 VanDerWaalsContact O-N 3.08Å; H209-L211 VanDerWaalsContact C-N 3.35Å; H209-L211 PolarHBondContact O-N 2.61Å; H209-N212 PolarHBondContact O-N 3.47Å; H209-A213 WeakPolarHBondContact O-CB 3.35Å; H209-A213 PolarHBondContact O-N 2.97Å; H209-F334 HydrophobicContact CB-CD1 4.26Å; H209-F334 HydrophobicContact CB-CE1 3.91Å; H209-F334 HydrophobicContact CB-CZ 4.1Å; H209-F334 AromaticContact CD2-CE2 3.5Å; H209-F334 AromaticContact CD2-CZ 3.42Å; H209-F334 VanDerWaalsContact CD2-CZ 3.42Å; H209-F334 WeakPolarHBondContact CD2-CZ 3.29Å; H209-F334 AromaticContact CE1-CE1 3.95Å; H209-F334 AromaticContact CE1-CE2 3.95Å; H209-F334 AromaticContact CE1-CZ 3.21Å; H209-F334 WeakPolarHBondContact CE1-CZ 3.31Å; H209-F334 AromaticContact CG-CE1 3.5Å; H209-F334 VanDerWaalsContact CG-CE1 3.5Å; H209-F334 AromaticContact CG-CE2 3.73Å; H209-F334 AromaticContact CG-CZ 3.24Å; H209-F334 AromaticContact ND1-CE1 3.37Å; H209-F334 WeakPolarHBondContact ND1-CE1 3.43Å; H209-F334 AromaticContact ND1-CE2 4Å; H209-F334 AromaticContact ND1-CZ 3.1Å; H209-F334 WeakPolarHBondContact ND1-CZ 3.48Å; H209-F334 AromaticContact NE2-CE2 3.66Å; H209-F334 AromaticContact NE2-CZ 3.42Å; H209-F334 WeakPolarHBondContact NE2-CZ 3.35Å
210G96.6Very high94.8Very high0 Ų028.4 Ų28.40%015%0.147CC..Hα-helixtrans-59.3-41.8177.700000113.1Y194 R206 L207 V208 A213 L214Y194-G210 WeakPolarHBondContact CD2-O 3.42Å; R206-G210 PolarHBondContact O-N 3Å; L207-G210 PolarHBondContact O-N 2.98Å; V208-G210 VanDerWaalsContact C-N 3.34Å; V208-G210 PolarHBondContact O-N 3.24Å; G210-A213 PolarHBondContact O-N 2.68Å; G210-L214 WeakPolarHBondContact O-CG 3.46Å; G210-L214 PolarHBondContact O-N 2.83Å
211L98Very high94.9Very high0 Ų028.3 Ų28.30%015%0.147CC..Hα-helixtrans-66.1-41.9175.4-71.4174.3000112.5I149 L199 L207 V208 H209 A213 L214 L215 V289 L293 L297I149-L211 HydrophobicContact CD1-CD2 3.93Å; L199-L211 HydrophobicContact CD1-CD2 4.18Å; L199-L211 HydrophobicContact CD1-CG 4.4Å; L207-L211 HydrophobicContact CD2-CD1 3.42Å; L207-L211 VanDerWaalsContact CD2-CD1 3.42Å; L207-L211 HydrophobicContact CD2-CG 3.9Å; L207-L211 WeakPolarHBondContact O-CG 3.37Å; L207-L211 PolarHBondContact O-N 2.94Å; V208-L211 PolarHBondContact O-N 3Å; H209-L211 VanDerWaalsContact C-N 3.35Å; H209-L211 PolarHBondContact O-N 2.61Å; L211-A213 VanDerWaalsContact C-N 3.32Å; L211-A213 PolarHBondContact O-N 3.36Å; L211-L214 WeakPolarHBondContact O-CB 3.47Å; L211-L214 PolarHBondContact O-N 3.37Å; L211-L215 PolarHBondContact O-N 3.34Å; L211-V289 HydrophobicContact CB-CG1 3.84Å; L211-V289 HydrophobicContact CB-CG2 4.38Å; L211-V289 HydrophobicContact CD1-CG1 3.99Å; L211-L293 HydrophobicContact CD1-CB 3.77Å; L211-L293 HydrophobicContact CD2-CB 4.37Å; L211-L293 HydrophobicContact CD2-CD1 4.18Å; L211-L297 HydrophobicContact CD1-CD1 4.3Å; L211-L297 HydrophobicContact CD2-CD1 4Å
212N97.6Very high95.3Very high62 Ų6227.7 Ų27.733%0.33214%0.143SC..Hα-helixtrans-65-37175.6-78.3-38.3000111.9V208 H209 L215 T216V208-N212 WeakPolarHBondContact CG1-ND2 3.3Å; V208-N212 WeakPolarHBondContact O-CB 3.33Å; V208-N212 PolarHBondContact O-N 2.8Å; V208-N212 PolarHBondContact O-ND2 3.06Å; H209-N212 PolarHBondContact O-N 3.47Å; N212-L215 CarbonylContact O-C 3.57Å; N212-L215 PolarHBondContact O-N 3.16Å; N212-T216 WeakPolarHBondContact O-CB 3.46Å; N212-T216 PolarHBondContact O-N 2.94Å; N212-T216 PolarHBondContact O-OG1 3.48Å
213A96.9Very high95.7Very high3 Ų329.3 Ų29.33%0.02515%0.145CC..Hα-helixtrans-64.8-39.6174.500000111.9T193 H209 G210 L211 T216 T217T193-A213 WeakPolarHBondContact OG1-CB 3.09Å; H209-A213 WeakPolarHBondContact O-CB 3.35Å; H209-A213 PolarHBondContact O-N 2.97Å; G210-A213 PolarHBondContact O-N 2.68Å; L211-A213 VanDerWaalsContact C-N 3.32Å; L211-A213 PolarHBondContact O-N 3.36Å; A213-T216 PolarHBondContact O-N 3.22Å; A213-T217 PolarHBondContact O-N 3.29Å
214L98Very high96Very high0 Ų027.4 Ų27.40%014%0.135CC..Hα-helixtrans-64.6-37.4172.5-74168.8000112.7I149 Y194 G210 L211 T216 T217 P218 N221 F222I149-L214 HydrophobicContact CG2-CD1 3.95Å; Y194-L214 HydrophobicContact CD1-CD2 3.77Å; Y194-L214 HydrophobicContact CD1-CG 4.33Å; Y194-L214 HydrophobicContact CD2-CD1 3.94Å; Y194-L214 HydrophobicContact CD2-CD2 4Å; Y194-L214 HydrophobicContact CD2-CG 3.63Å; Y194-L214 HydrophobicContact CE1-CD2 4.07Å; Y194-L214 HydrophobicContact CE2-CD1 3.75Å; Y194-L214 HydrophobicContact CE2-CD2 4.3Å; Y194-L214 HydrophobicContact CE2-CG 3.96Å; Y194-L214 HydrophobicContact CG-CD2 3.72Å; Y194-L214 HydrophobicContact CG-CG 3.82Å; G210-L214 WeakPolarHBondContact O-CG 3.46Å; G210-L214 PolarHBondContact O-N 2.83Å; L211-L214 WeakPolarHBondContact O-CB 3.47Å; L211-L214 PolarHBondContact O-N 3.37Å; L214-T216 VanDerWaalsContact C-N 3.31Å; L214-T217 CarbonylContact O-C 3.46Å; L214-P218 WeakPolarHBondContact O-CA 3.32Å; L214-N221 HydrophobicContact CD2-CB 3.76Å; L214-F222 HydrophobicContact CB-CB 3.99Å; L214-F222 HydrophobicContact CB-CD2 3.83Å; L214-F222 HydrophobicContact CB-CG 4.02Å; L214-F222 HydrophobicContact CD1-CD2 4.21Å; L214-F222 HydrophobicContact CD2-CB 4.24Å
215L97Very high96.3Very high9 Ų921.9 Ų21.95%0.04711%0.114CC..Hα-helixtrans-72.6-20.6172.5-79.3177.2000114L211 N212 F222 Y232 L239 L288 V289L211-L215 PolarHBondContact O-N 3.34Å; N212-L215 CarbonylContact O-C 3.57Å; N212-L215 PolarHBondContact O-N 3.16Å; L215-F222 HydrophobicContact CD2-CD1 4.13Å; L215-F222 HydrophobicContact CD2-CE1 3.34Å; L215-F222 HydrophobicContact CD2-CZ 3.77Å; L215-F222 HydrophobicContact CG-CE1 4.13Å; L215-F222 HydrophobicContact CG-CZ 4.21Å; L215-Y232 HydrophobicContact CD2-CD1 4.39Å; L215-Y232 HydrophobicContact CD2-CE1 4.07Å; L215-Y232 PolarHBondContact O-OH 3.28Å; L215-L239 HydrophobicContact CD2-CD2 3.7Å; L215-L288 HydrophobicContact CD1-CD2 4.42Å; L215-L288 HydrophobicContact CD2-CD2 4.16Å; L215-V289 HydrophobicContact CD1-CG2 3.25Å; L215-V289 HydrophobicContact CG-CG2 4.46Å
216T96Very high96.5Very high102 Ų10218.7 Ų18.763%0.62610%0.097SC*.Hα-helixtrans-85.4-39.8177.2-57.30000110.3N212 A213 L214N212-T216 WeakPolarHBondContact O-CB 3.46Å; N212-T216 PolarHBondContact O-N 2.94Å; N212-T216 PolarHBondContact O-OG1 3.48Å; A213-T216 PolarHBondContact O-N 3.22Å; L214-T216 VanDerWaalsContact C-N 3.31Å
217T96.4Very high96.6Very high21 Ų2120 Ų2013%0.12911%0.106CC..  trans-139.778.9-176.1-47.30000109.8D190 A213 L214 Q219D190-T217 HydrophobicContact CB-CG2 4.09Å; A213-T217 PolarHBondContact O-N 3.29Å; L214-T217 CarbonylContact O-C 3.46Å; T217-Q219 VanDerWaalsContact C-N 3.29Å; T217-Q219 HydrophobicContact CG2-CG 4.04Å; T217-Q219 PolarHBondContact O-N 2.66Å
218P96.3Very high96.5Very high8 Ų820.8 Ų20.85%0.05211%0.112CC..  trans-64.7-32.7-170.522.7-33.8000113.1L214 N220 N221 F222 Y232L214-P218 WeakPolarHBondContact O-CA 3.32Å; P218-N220 PolarHBondContact O-N 2.84Å; P218-N221 WeakPolarHBondContact O-CA 3.5Å; P218-N221 PolarHBondContact O-N 3.19Å; P218-F222 HydrophobicContact CB-CB 3.96Å; P218-F222 WeakPolarHBondContact CB-O 3.19Å; P218-F222 PolarHBondContact O-N 2.95Å; P218-Y232 HydrophobicContact CB-CE1 3.96Å; P218-Y232 WeakPolarHBondContact CD-OH 3.2Å; P218-Y232 HydrophobicContact CG-CE1 3.95Å
219Q94.1Very high96.4Very high5 Ų527 Ų272%0.02314%0.141CC..THydrogen-bonded Turntrans43.4-127.6-170.4-62.8-175.4-5.400109.7Q179 W188 D190 T217 H234Q179-Q219 VanDerWaalsContact NE2-OE1 3.12Å; W188-Q219 HydrophobicContact CD2-CB 4.06Å; W188-Q219 HydrophobicContact CD2-CG 3.85Å; W188-Q219 HydrophobicContact CE3-CB 4.39Å; W188-Q219 HydrophobicContact CE3-CG 4.35Å; W188-Q219 HydrophobicContact CG-CG 3.95Å; W188-Q219 HydrophobicContact CH2-CB 4.13Å; W188-Q219 HydrophobicContact CZ2-CB 3.77Å; W188-Q219 HydrophobicContact CZ2-CG 4.46Å; W188-Q219 HydrophobicContact CZ3-CB 4.42Å; D190-Q219 PolarHBondContact O-NE2 3.46Å; T217-Q219 VanDerWaalsContact C-N 3.29Å; T217-Q219 HydrophobicContact CG2-CG 4.04Å; T217-Q219 PolarHBondContact O-N 2.66Å; Q219-H234 WeakPolarHBondContact O-CB 3.42Å
220N92.3Very high96.4Very high42 Ų4228.7 Ų28.723%0.22516%0.155CC..THydrogen-bonded Turntrans-103.223.1171.974.2-59.2000113.2K150 W188 P218K150-N220 VanDerWaalsContact CD-O 3.31Å; K150-N220 WeakPolarHBondContact CD-O 3.43Å; K150-N220 WeakPolarHBondContact CE-O 3.36Å; W188-N220 HydrophobicContact CH2-CB 4.07Å; W188-N220 HydrophobicContact CZ2-CB 4.03Å; P218-N220 PolarHBondContact O-N 2.84Å
221N96.8Very high96.4Very high1 Ų129.3 Ų29.31%0.00516%0.158CC..THydrogen-bonded Turntrans-112.6-11.7-172.6-50.7-53.5000113.8I149 K150 K152 F175 L214 P218I149-N221 CarbonylContact C-O 3.48Å; I149-N221 WeakPolarHBondContact CA-O 3.43Å; K150-N221 HydrophobicContact CB-CB 4.4Å; K150-N221 PolarHBondContact N-O 3.39Å; K152-N221 WeakPolarHBondContact CE-OD1 3.47Å; K152-N221 PolarHBondContact NZ-OD1 2.96Å; F175-N221 WeakPolarHBondContact CE2-ND2 3.08Å; L214-N221 HydrophobicContact CD2-CB 3.76Å; P218-N221 WeakPolarHBondContact O-CA 3.5Å; P218-N221 PolarHBondContact O-N 3.19Å
222F98.1Very high96.4Very high1 Ų129.9 Ų29.90%0.00416%0.16CC..EExtended strand (participates in β ladder)trans-144.6130.8-179.3-167.4-93000111.2V147 E148 I149 L214 L215 P218 V224 Y232 L293V147-F222 HydrophobicContact CG1-CD2 4.18Å; V147-F222 HydrophobicContact CG1-CE1 4.34Å; V147-F222 HydrophobicContact CG1-CE2 3.41Å; V147-F222 VanDerWaalsContact CG1-CE2 3.41Å; V147-F222 HydrophobicContact CG1-CZ 3.51Å; E148-F222 CarbonylContact O-C 3.59Å; E148-F222 WeakPolarHBondContact O-CA 3.25Å; I149-F222 HydrophobicContact CD1-CD2 4.45Å; I149-F222 HydrophobicContact CD1-CE2 4.19Å; I149-F222 HydrophobicContact CG1-CD2 3.92Å; I149-F222 HydrophobicContact CG1-CE2 4Å; L214-F222 HydrophobicContact CB-CB 3.99Å; L214-F222 HydrophobicContact CB-CD2 3.83Å; L214-F222 HydrophobicContact CB-CG 4.02Å; L214-F222 HydrophobicContact CD1-CD2 4.21Å; L214-F222 HydrophobicContact CD2-CB 4.24Å; L215-F222 HydrophobicContact CD2-CD1 4.13Å; L215-F222 HydrophobicContact CD2-CE1 3.34Å; L215-F222 HydrophobicContact CD2-CZ 3.77Å; L215-F222 HydrophobicContact CG-CE1 4.13Å; L215-F222 HydrophobicContact CG-CZ 4.21Å; P218-F222 HydrophobicContact CB-CB 3.96Å; P218-F222 WeakPolarHBondContact CB-O 3.19Å; P218-F222 PolarHBondContact O-N 2.95Å; F222-V224 HydrophobicContact CD1-CG2 4.24Å; F222-V224 HydrophobicContact CE1-CG2 3.4Å; F222-V224 HydrophobicContact CZ-CG2 3.96Å; F222-Y232 AromaticContact CD1-CD1 3.76Å; F222-Y232 HydrophobicContact CD1-CD1 3.76Å; F222-Y232 AromaticContact CD1-CE1 3.78Å; F222-Y232 HydrophobicContact CD1-CE1 3.78Å; F222-Y232 AromaticContact CE1-CD1 3.9Å; F222-Y232 HydrophobicContact CE1-CD1 3.9Å; F222-Y232 HydrophobicContact CE1-CE1 4.13Å; F222-L293 HydrophobicContact CE2-CD1 4.04Å; F222-L293 HydrophobicContact CZ-CD1 3.99Å
223R97.8Very high96.3Very high44 Ų4427.8 Ų27.817%0.16615%0.151CC..EExtended strand (participates in β ladder)trans-143.4149.7173.8-55.8-175.6-177.1124-24.6110.7D28 V147 E148 Y225 Y232D28-R223 IonicContact OD1-NH2 2.97Å; D28-R223 IonicContact OD2-CZ 2.8Å; D28-R223 VanDerWaalsContact OD2-CZ 3.26Å; D28-R223 IonicContact OD2-NH1 2.83Å; D28-R223 PolarHBondContact OD2-NH1 3.05Å; D28-R223 VanDerWaalsContact OD2-NH1 3.16Å; D28-R223 IonicContact OD2-NH2 3.27Å; D28-R223 PolarHBondContact OD2-NH2 3.46Å; V147-R223 CarbonylContact C-O 3.6Å; V147-R223 WeakPolarHBondContact CA-O 3.5Å; E148-R223 HydrophobicContact CB-CB 4.24Å; E148-R223 VanDerWaalsContact CD-NH1 3.3Å; E148-R223 PolarHBondContact N-O 2.77Å; E148-R223 PolarHBondContact O-N 2.92Å; E148-R223 IonicContact OE1-NH1 3.16Å; E148-R223 PolarHBondContact OE1-NH1 3.03Å; E148-R223 WeakPolarHBondContact OE2-CD 3.4Å; E148-R223 IonicContact OE2-CZ 2.61Å; E148-R223 IonicContact OE2-NH1 2.68Å; E148-R223 PolarHBondContact OE2-NH1 3.24Å; R223-Y225 HydrophobicContact CB-CE2 3.89Å; R223-Y225 WeakPolarHBondContact CD-OH 3.44Å; R223-Y232 CarbonylContact C-O 3.51Å; R223-Y232 VanDerWaalsContact CA-O 3.24Å; R223-Y232 WeakPolarHBondContact CA-O 3.45Å
224V98.5Very high96Very high0 Ų031.5 Ų31.50%017%0.167CC..EExtended strand (participates in β ladder)trans-127.4138.5175.5-170.20000109.7L145 S146 V147 F222 I231 Y232 L239L145-V224 HydrophobicContact CD1-CG1 3.66Å; L145-V224 HydrophobicContact CG-CG1 4.39Å; S146-V224 CarbonylContact O-C 3.48Å; S146-V224 WeakPolarHBondContact O-CA 3.39Å; V147-V224 HydrophobicContact CG2-CG1 4.11Å; V147-V224 HydrophobicContact CG2-CG2 4.14Å; F222-V224 HydrophobicContact CD1-CG2 4.24Å; F222-V224 HydrophobicContact CE1-CG2 3.4Å; F222-V224 HydrophobicContact CZ-CG2 3.96Å; V224-I231 HydrophobicContact CB-CD1 4.37Å; V224-I231 HydrophobicContact CB-CG1 3.96Å; V224-I231 HydrophobicContact CG1-CD1 3.75Å; V224-I231 HydrophobicContact CG1-CG1 3.82Å; V224-I231 WeakPolarHBondContact O-CG1 3.36Å; V224-I231 PolarHBondContact O-N 3.01Å; V224-Y232 HydrophobicContact CG2-CD1 4.13Å; V224-Y232 HydrophobicContact CG2-CG 4.46Å; V224-Y232 PolarHBondContact N-O 2.86Å; V224-Y232 PolarHBondContact O-N 2.9Å; V224-Y232 VanDerWaalsContact O-N 3.11Å; V224-L239 HydrophobicContact CB-CD1 4.21Å; V224-L239 HydrophobicContact CG1-CD1 4.24Å; V224-L239 HydrophobicContact CG2-CD1 4.02Å
225Y97.9Very high95.6Very high15 Ų1538 Ų386%0.05920%0.202CC..EExtended strand (participates in β ladder)trans-124.6143.2178.5-50.5-98.9000109.6T130 S146 E148 R223 H229 P230T130-Y225 HydrophobicContact CG2-CD1 4.27Å; T130-Y225 HydrophobicContact CG2-CD2 4Å; T130-Y225 HydrophobicContact CG2-CE2 4.36Å; T130-Y225 HydrophobicContact CG2-CG 3.97Å; S146-Y225 PolarHBondContact N-O 3.16Å; S146-Y225 PolarHBondContact O-N 3.01Å; E148-Y225 HydrophobicContact CB-CE2 4.13Å; E148-Y225 PolarHBondContact OE2-OH 3.19Å; R223-Y225 HydrophobicContact CB-CE2 3.89Å; R223-Y225 WeakPolarHBondContact CD-OH 3.44Å; Y225-H229 CarbonylContact C-O 3.57Å; Y225-H229 WeakPolarHBondContact CA-O 3.22Å; Y225-P230 HydrophobicContact CD1-CB 4.01Å; Y225-P230 HydrophobicContact CE1-CB 4.05Å
226L97.4Very high95.4Very high9 Ų939.9 Ų39.95%0.04721%0.214CC..EExtended strand (participates in β ladder)trans-121.2123169.5-17371.9000108.2P143 T144 L145 S228 H229 I231 K245 F246P143-L226 HydrophobicContact CB-CD1 3.93Å; T144-L226 CarbonylContact O-C 3.39Å; T144-L226 WeakPolarHBondContact O-CA 3.5Å; L145-L226 HydrophobicContact CD1-CD1 4.2Å; L226-S228 PolarHBondContact O-N 2.89Å; L226-H229 PolarHBondContact N-O 2.91Å; L226-H229 WeakPolarHBondContact O-CB 3.49Å; L226-H229 PolarHBondContact O-N 3.15Å; L226-I231 HydrophobicContact CB-CD1 4.12Å; L226-I231 HydrophobicContact CB-CG1 4.44Å; L226-I231 HydrophobicContact CB-CG2 3.74Å; L226-K245 HydrophobicContact CD2-CB 4.22Å; L226-K245 HydrophobicContact CD2-CD 3.84Å; L226-K245 HydrophobicContact CD2-CG 4.26Å; L226-F246 HydrophobicContact CD1-CB 4.22Å; L226-F246 HydrophobicContact CD1-CD2 4.41Å
227D95.3Very high95.4Very high59 Ų5939.7 Ų39.732%0.31621%0.209SC..THydrogen-bonded Turntrans49.448-175.6-54.4-40.6000111.2P143 T144 H229 K245P143-D227 WeakPolarHBondContact CA-OD1 3.42Å; T144-D227 PolarHBondContact N-OD1 3.39Å; T144-D227 PolarHBondContact O-N 3.44Å; D227-H229 PolarHBondContact O-CE1 3.08Å; D227-H229 PolarHBondContact O-N 3.28Å; D227-H229 VanDerWaalsContact O-N 3.09Å; D227-H229 PolarHBondContact O-ND1 2.87Å; D227-K245 IonicContact OD2-NZ 3.26Å
228S94.2Very high95.4Very high17 Ų1745 Ų4512%0.11923%0.23CC..THydrogen-bonded Turntrans64.80.8-175-610000117.2R27 T130 Q131 L226R27-S228 PolarHBondContact NH1-O 2.94Å; T130-S228 WeakPolarHBondContact OG1-CB 3.49Å; T130-S228 PolarHBondContact OG1-OG 3.1Å; Q131-S228 WeakPolarHBondContact CG-OG 3.5Å; L226-S228 PolarHBondContact O-N 2.89Å
229H93.8Very high95.5Very high132 Ų13244.6 Ų44.661%0.61123%0.228SC*.EExtended strand (participates in β ladder)trans-95.1130.8177.2-61.881.5000111.1Y225 L226 D227 I231Y225-H229 CarbonylContact C-O 3.57Å; Y225-H229 WeakPolarHBondContact CA-O 3.22Å; L226-H229 PolarHBondContact N-O 2.91Å; L226-H229 WeakPolarHBondContact O-CB 3.49Å; L226-H229 PolarHBondContact O-N 3.15Å; D227-H229 PolarHBondContact O-CE1 3.08Å; D227-H229 PolarHBondContact O-N 3.28Å; D227-H229 VanDerWaalsContact O-N 3.09Å; D227-H229 PolarHBondContact O-ND1 2.87Å; H229-I231 PolarHBondContact O-N 3.23Å
230P94.5Very high95.6Very high73 Ų7348.2 Ų48.247%0.47425%0.247SC..EExtended strand (participates in β ladder)trans-6512417926.7-33.4000111Y225Y225-P230 HydrophobicContact CD1-CB 4.01Å; Y225-P230 HydrophobicContact CE1-CB 4.05Å
231I97.3Very high95.7Very high12 Ų1254 Ų546%0.06227%0.267CS..EExtended strand (participates in β ladder)trans-113-17.2175.961.7161.9000112.7L145 V224 L226 H229 K238 L239L145-I231 HydrophobicContact CD1-CD1 4.25Å; V224-I231 HydrophobicContact CB-CD1 4.37Å; V224-I231 HydrophobicContact CB-CG1 3.96Å; V224-I231 HydrophobicContact CG1-CD1 3.75Å; V224-I231 HydrophobicContact CG1-CG1 3.82Å; V224-I231 WeakPolarHBondContact O-CG1 3.36Å; V224-I231 PolarHBondContact O-N 3.01Å; L226-I231 HydrophobicContact CB-CD1 4.12Å; L226-I231 HydrophobicContact CB-CG1 4.44Å; L226-I231 HydrophobicContact CB-CG2 3.74Å; H229-I231 PolarHBondContact O-N 3.23Å; I231-K238 HydrophobicContact CB-CB 4.38Å; I231-K238 CarbonylContact O-C 3.32Å; I231-K238 VanDerWaalsContact O-C 3.29Å; I231-K238 VanDerWaalsContact O-CA 3.3Å; I231-K238 WeakPolarHBondContact O-CA 3.4Å; I231-K238 WeakPolarHBondContact O-CB 3.32Å; I231-K238 PolarHBondContact O-N 2.67Å; I231-L239 HydrophobicContact CD1-CD1 4.33Å; I231-L239 PolarHBondContact O-N 3.2Å
232Y98.1Very high95.7Very high12 Ų1253.9 Ų53.95%0.04727%0.267CS..EExtended strand (participates in β ladder)trans-149.6130.8177.9-171.8-106.5000111.6L215 P218 F222 R223 V224 V236 D237 L239L215-Y232 HydrophobicContact CD2-CD1 4.39Å; L215-Y232 HydrophobicContact CD2-CE1 4.07Å; L215-Y232 PolarHBondContact O-OH 3.28Å; P218-Y232 HydrophobicContact CB-CE1 3.96Å; P218-Y232 WeakPolarHBondContact CD-OH 3.2Å; P218-Y232 HydrophobicContact CG-CE1 3.95Å; F222-Y232 AromaticContact CD1-CD1 3.76Å; F222-Y232 HydrophobicContact CD1-CD1 3.76Å; F222-Y232 AromaticContact CD1-CE1 3.78Å; F222-Y232 HydrophobicContact CD1-CE1 3.78Å; F222-Y232 AromaticContact CE1-CD1 3.9Å; F222-Y232 HydrophobicContact CE1-CD1 3.9Å; F222-Y232 HydrophobicContact CE1-CE1 4.13Å; R223-Y232 CarbonylContact C-O 3.51Å; R223-Y232 VanDerWaalsContact CA-O 3.24Å; R223-Y232 WeakPolarHBondContact CA-O 3.45Å; V224-Y232 HydrophobicContact CG2-CD1 4.13Å; V224-Y232 HydrophobicContact CG2-CG 4.46Å; V224-Y232 PolarHBondContact N-O 2.86Å; V224-Y232 PolarHBondContact O-N 2.9Å; V224-Y232 VanDerWaalsContact O-N 3.11Å; Y232-V236 CarbonylContact C-O 3.6Å; Y232-V236 VanDerWaalsContact CA-O 3.3Å; Y232-V236 WeakPolarHBondContact CA-O 3.31Å; Y232-D237 HydrophobicContact CD2-CB 4.28Å; Y232-D237 WeakPolarHBondContact CD2-OD1 2.81Å; Y232-D237 HydrophobicContact CE2-CB 4.33Å; Y232-L239 HydrophobicContact CD1-CD2 4.44Å; Y232-L239 HydrophobicContact CD2-CB 3.66Å; Y232-L239 HydrophobicContact CD2-CD2 4.07Å; Y232-L239 HydrophobicContact CD2-CG 4.35Å; Y232-L239 HydrophobicContact CE2-CB 4.44Å; Y232-L239 HydrophobicContact CE2-CD2 4.34Å; Y232-L239 HydrophobicContact CG-CB 4.03Å; Y232-L239 HydrophobicContact CG-CD1 4.25Å; Y232-L239 HydrophobicContact CG-CD2 4.13Å; Y232-L239 HydrophobicContact CG-CG 4.37Å
233S94.8Very high95.5Very high18 Ų1853.9 Ų53.913%0.12627%0.266CS..SBendtrans-164.3-166.9173.768.90000109.1D235 V236S233-D235 VanDerWaalsContact C-N 3.31Å; S233-D235 PolarHBondContact O-N 2.84Å; S233-D235 PolarHBondContact OG-N 2.81Å; S233-V236 PolarHBondContact N-O 2.89Å; S233-V236 VanDerWaalsContact O-O 3.09Å; S233-V236 PolarHBondContact OG-N 2.83Å
234H91.7Very high95.3Very high82 Ų8255.1 Ų55.138%0.3828%0.276SS..SBendtrans-62.8-37.2170.7-17661.8000113.4W188 Q219W188-H234 AromaticContact CE3-CE1 3.87Å; W188-H234 AromaticContact CE3-NE2 3.73Å; W188-H234 HydrophobicContact CZ3-CB 4.41Å; W188-H234 AromaticContact CZ3-CD2 3.57Å; W188-H234 AromaticContact CZ3-CG 3.79Å; W188-H234 AromaticContact CZ3-NE2 3.73Å; Q219-H234 WeakPolarHBondContact O-CB 3.42Å
235D89.2Confident95Very high135 Ų13559.3 Ų59.372%0.72230%0.295SS*.SBendtrans-98.9-7.6-171.5-54.7-58000113.1S233S233-D235 VanDerWaalsContact C-N 3.31Å; S233-D235 PolarHBondContact O-N 2.84Å; S233-D235 PolarHBondContact OG-N 2.81Å
236V92.2Very high94.8Very high49 Ų4958.6 Ų58.630%0.29729%0.292SS..  trans-137.4126.7-174.8178.80000109.1Y232 S233 K238Y232-V236 CarbonylContact C-O 3.6Å; Y232-V236 VanDerWaalsContact CA-O 3.3Å; Y232-V236 WeakPolarHBondContact CA-O 3.31Å; S233-V236 PolarHBondContact N-O 2.89Å; S233-V236 VanDerWaalsContact O-O 3.09Å; S233-V236 PolarHBondContact OG-N 2.83Å; V236-K238 HydrophobicContact CG1-CG 4.27Å
237D96.1Very high94.5Very high99 Ų9958.2 Ų58.253%0.52929%0.29SS..BIsolated β-bridgetrans-128.398.1167.6-166.7-4.8000110.8Y232 L239 R285Y232-D237 HydrophobicContact CD2-CB 4.28Å; Y232-D237 WeakPolarHBondContact CD2-OD1 2.81Å; Y232-D237 HydrophobicContact CE2-CB 4.33Å; D237-L239 WeakPolarHBondContact OD1-CB 3.34Å; D237-L239 PolarHBondContact OD1-N 2.97Å; D237-R285 IonicContact OD2-NH2 2.81Å
238K97.5Very high94.1Very high132 Ų13256.1 Ų56.157%0.57428%0.278SS*.  trans-126.326.6168.5-61.2-177.5178.9179.70109.4I231 V236 Y241 G242I231-K238 HydrophobicContact CB-CB 4.38Å; I231-K238 CarbonylContact O-C 3.32Å; I231-K238 VanDerWaalsContact O-C 3.29Å; I231-K238 VanDerWaalsContact O-CA 3.3Å; I231-K238 WeakPolarHBondContact O-CA 3.4Å; I231-K238 WeakPolarHBondContact O-CB 3.32Å; I231-K238 PolarHBondContact O-N 2.67Å; V236-K238 HydrophobicContact CG1-CG 4.27Å; K238-Y241 PolarHBondContact O-N 2.77Å; K238-G242 PolarHBondContact O-N 3.21Å
239L97.6Very high93.3Very high0 Ų057.1 Ų57.10%028%0.282CS..Hα-helixtrans-63-49.8-169.3-177.361.5000111.2L215 V224 I231 Y232 D237 Y241 G242 L243 R285 L288L215-L239 HydrophobicContact CD2-CD2 3.7Å; V224-L239 HydrophobicContact CB-CD1 4.21Å; V224-L239 HydrophobicContact CG1-CD1 4.24Å; V224-L239 HydrophobicContact CG2-CD1 4.02Å; I231-L239 HydrophobicContact CD1-CD1 4.33Å; I231-L239 PolarHBondContact O-N 3.2Å; Y232-L239 HydrophobicContact CD1-CD2 4.44Å; Y232-L239 HydrophobicContact CD2-CB 3.66Å; Y232-L239 HydrophobicContact CD2-CD2 4.07Å; Y232-L239 HydrophobicContact CD2-CG 4.35Å; Y232-L239 HydrophobicContact CE2-CB 4.44Å; Y232-L239 HydrophobicContact CE2-CD2 4.34Å; Y232-L239 HydrophobicContact CG-CB 4.03Å; Y232-L239 HydrophobicContact CG-CD1 4.25Å; Y232-L239 HydrophobicContact CG-CD2 4.13Å; Y232-L239 HydrophobicContact CG-CG 4.37Å; D237-L239 WeakPolarHBondContact OD1-CB 3.34Å; D237-L239 PolarHBondContact OD1-N 2.97Å; L239-Y241 VanDerWaalsContact C-N 3.31Å; L239-Y241 PolarHBondContact O-N 3.07Å; L239-G242 PolarHBondContact O-N 3.14Å; L239-G242 VanDerWaalsContact O-N 3.11Å; L239-L243 HydrophobicContact CD1-CD1 3.82Å; L239-L243 HydrophobicContact CD1-CD2 4.13Å; L239-L243 HydrophobicContact CD1-CG 3.76Å; L239-L243 HydrophobicContact CD2-CD1 4.32Å; L239-L243 HydrophobicContact CG-CD1 3.74Å; L239-L243 HydrophobicContact CG-CG 4.05Å; L239-L243 WeakPolarHBondContact O-CB 3.44Å; L239-L243 VanDerWaalsContact O-CG 3.31Å; L239-L243 WeakPolarHBondContact O-CG 3.44Å; L239-L243 PolarHBondContact O-N 3.21Å; L239-R285 HydrophobicContact CD2-CG 4.28Å; L239-L288 HydrophobicContact CD1-CD2 4.29Å
240D96.3Very high91.9Very high81 Ų8157.7 Ų57.743%0.43329%0.285SS..Hα-helixtrans-62.9-39.2-176-60.8-45.7000111.7N244 R285D240-N244 WeakPolarHBondContact O-CB 3.29Å; D240-N244 PolarHBondContact O-N 2.81Å; D240-R285 IonicContact OD1-CZ 3.21Å; D240-R285 IonicContact OD1-NE 3.8Å; D240-R285 PolarHBondContact OD1-NE 3.25Å; D240-R285 IonicContact OD1-NH2 2.68Å; D240-R285 PolarHBondContact OD1-NH2 3.16Å; D240-R285 IonicContact OD2-CZ 2.67Å; D240-R285 IonicContact OD2-NE 3.86Å; D240-R285 IonicContact OD2-NH2 3.52Å; D240-R285 PolarHBondContact OD2-NH2 2.97Å
241Y94.7Very high89.8Confident162 Ų16259.8 Ų59.864%0.63529%0.288SS*.Hα-helixtrans-60.7-48.4172170.4-96.4000112K238 L239 N244 K245K238-Y241 PolarHBondContact O-N 2.77Å; L239-Y241 VanDerWaalsContact C-N 3.31Å; L239-Y241 PolarHBondContact O-N 3.07Å; Y241-N244 PolarHBondContact O-N 3.02Å; Y241-K245 PolarHBondContact O-N 3.26Å; Y241-K245 VanDerWaalsContact O-N 3.09Å
242G96Very high87.3Confident0 Ų066.5 Ų66.50%032%0.324CS..Hα-helixtrans-69-39.2-176.900000113.3K238 L239 N244 K245 F246K238-G242 PolarHBondContact O-N 3.21Å; L239-G242 PolarHBondContact O-N 3.14Å; L239-G242 VanDerWaalsContact O-N 3.11Å; G242-N244 VanDerWaalsContact C-N 3.34Å; G242-K245 PolarHBondContact O-N 2.93Å; G242-F246 PolarHBondContact O-N 3.49Å; G242-F246 VanDerWaalsContact O-N 3.11Å
243L95.7Very high85Confident0 Ų070.2 Ų70.20%035%0.352CS..Hα-helixtrans-67.1-37.5174.5-64.1-178.6000111.4L145 L239 F246 F247 D284 R285 L288L145-L243 HydrophobicContact CD1-CD2 4.24Å; L145-L243 HydrophobicContact CD2-CD2 4.08Å; L239-L243 HydrophobicContact CD1-CD1 3.82Å; L239-L243 HydrophobicContact CD1-CD2 4.13Å; L239-L243 HydrophobicContact CD1-CG 3.76Å; L239-L243 HydrophobicContact CD2-CD1 4.32Å; L239-L243 HydrophobicContact CG-CD1 3.74Å; L239-L243 HydrophobicContact CG-CG 4.05Å; L239-L243 WeakPolarHBondContact O-CB 3.44Å; L239-L243 VanDerWaalsContact O-CG 3.31Å; L239-L243 WeakPolarHBondContact O-CG 3.44Å; L239-L243 PolarHBondContact O-N 3.21Å; L243-F246 PolarHBondContact O-N 2.71Å; L243-F247 HydrophobicContact CB-CD2 4.18Å; L243-F247 HydrophobicContact CB-CE2 4.23Å; L243-F247 HydrophobicContact CD2-CE2 4.1Å; L243-F247 VanDerWaalsContact O-CD2 3.31Å; L243-F247 WeakPolarHBondContact O-CD2 3.3Å; L243-F247 PolarHBondContact O-N 2.85Å; L243-D284 HydrophobicContact CB-CB 3.85Å; L243-D284 HydrophobicContact CD1-CB 4.27Å; L243-R285 HydrophobicContact CD1-CG 4.16Å; L243-L288 HydrophobicContact CD1-CB 4.1Å; L243-L288 HydrophobicContact CD1-CD2 4.16Å; L243-L288 HydrophobicContact CD2-CB 4.17Å; L243-L288 HydrophobicContact CD2-CD1 4.28Å; L243-L288 HydrophobicContact CD2-CD2 4.14Å; L243-L288 HydrophobicContact CD2-CG 4.43Å
244N92.9Very high82.7Confident70 Ų7073.5 Ų73.537%0.37437%0.367SS..Hα-helixtrans-59.6-50.1175.4-179.9-93.8000111.1D240 Y241 G242 F246 F247 H248D240-N244 WeakPolarHBondContact O-CB 3.29Å; D240-N244 PolarHBondContact O-N 2.81Å; Y241-N244 PolarHBondContact O-N 3.02Å; G242-N244 VanDerWaalsContact C-N 3.34Å; N244-F246 PolarHBondContact O-N 3.12Å; N244-F247 PolarHBondContact O-N 3.41Å; N244-H248 PolarHBondContact ND2-CD2 3.37Å; N244-H248 VanDerWaalsContact ND2-CD2 3.26Å; N244-H248 WeakPolarHBondContact O-CB 3.41Å; N244-H248 PolarHBondContact O-CD2 2.82Å; N244-H248 PolarHBondContact O-N 3.21Å
245K92.4Very high80.3Confident89 Ų8974.2 Ų74.239%0.38738%0.381SS..Hα-helixtrans-59.1-32.7176.5-176174.3172-156.50113L226 D227 Y241 G242L226-K245 HydrophobicContact CD2-CB 4.22Å; L226-K245 HydrophobicContact CD2-CD 3.84Å; L226-K245 HydrophobicContact CD2-CG 4.26Å; D227-K245 IonicContact OD2-NZ 3.26Å; Y241-K245 PolarHBondContact O-N 3.26Å; Y241-K245 VanDerWaalsContact O-N 3.09Å; G242-K245 PolarHBondContact O-N 2.93Å
246F93.8Very high77.8Confident0 Ų074.2 Ų74.20%039%0.392CS..Hα-helixtrans-78-49.8179.8-178.4-97.7000113.2P143 L145 L226 G242 L243 N244 V438 R440 M462P143-F246 HydrophobicContact CG-CD2 4.03Å; P143-F246 WeakPolarHBondContact O-CE2 3.1Å; L145-F246 HydrophobicContact CB-CD1 4.42Å; L145-F246 HydrophobicContact CB-CD2 3.56Å; L145-F246 HydrophobicContact CB-CE1 4.39Å; L145-F246 HydrophobicContact CB-CE2 3.52Å; L145-F246 HydrophobicContact CB-CG 4.03Å; L145-F246 HydrophobicContact CB-CZ 3.96Å; L145-F246 HydrophobicContact CD2-CD1 3.96Å; L145-F246 HydrophobicContact CD2-CE1 4.07Å; L145-F246 HydrophobicContact CD2-CG 4.21Å; L145-F246 HydrophobicContact CD2-CZ 4.42Å; L226-F246 HydrophobicContact CD1-CB 4.22Å; L226-F246 HydrophobicContact CD1-CD2 4.41Å; G242-F246 PolarHBondContact O-N 3.49Å; G242-F246 VanDerWaalsContact O-N 3.11Å; L243-F246 PolarHBondContact O-N 2.71Å; N244-F246 PolarHBondContact O-N 3.12Å; F246-V438 HydrophobicContact CE1-CG2 4.39Å; F246-V438 HydrophobicContact CE2-CG2 4.41Å; F246-V438 HydrophobicContact CZ-CG2 3.76Å; F246-R440 PolarHBondContact O-NE 3.43Å; F246-R440 PolarHBondContact O-NH2 3.38Å; F246-M462 HydrophobicContact CE1-SD 3.69Å; F246-M462 HydrophobicContact CZ-CG 4.48Å; F246-M462 HydrophobicContact CZ-SD 3.7Å
247F90.9Very high75.3Confident0 Ų076.4 Ų76.40%041%0.41CS..Hα-helixtrans-78.1-35.4-176.2-69-58.8000112.9L243 N244 N265 D284 R287 R440 I459L243-F247 HydrophobicContact CB-CD2 4.18Å; L243-F247 HydrophobicContact CB-CE2 4.23Å; L243-F247 HydrophobicContact CD2-CE2 4.1Å; L243-F247 VanDerWaalsContact O-CD2 3.31Å; L243-F247 WeakPolarHBondContact O-CD2 3.3Å; L243-F247 PolarHBondContact O-N 2.85Å; N244-F247 PolarHBondContact O-N 3.41Å; F247-N265 PolarHBondContact O-ND2 3.3Å; F247-D284 HydrophobicContact CD2-CB 4.1Å; F247-D284 HydrophobicContact CE2-CB 4.47Å; F247-D284 WeakPolarHBondContact CE2-O 3.18Å; F247-R287 HydrophobicContact CD2-CB 4.18Å; F247-R287 HydrophobicContact CE1-CB 4.06Å; F247-R287 HydrophobicContact CE2-CB 3.67Å; F247-R287 HydrophobicContact CZ-CB 3.62Å; F247-R440 PolarHBondContact O-NH2 2.94Å; F247-I459 HydrophobicContact CE1-CD1 4.25Å
248H87.3Confident72.7Confident15 Ų1579.9 Ų79.97%0.06942%0.423CS..SBendtrans-106.560.4-175.9-51.3-78.3000111.8N244 E250 F267 D284N244-H248 PolarHBondContact ND2-CD2 3.37Å; N244-H248 VanDerWaalsContact ND2-CD2 3.26Å; N244-H248 WeakPolarHBondContact O-CB 3.41Å; N244-H248 PolarHBondContact O-CD2 2.82Å; N244-H248 PolarHBondContact O-N 3.21Å; H248-E250 PolarHBondContact O-N 3.15Å; H248-E250 VanDerWaalsContact O-N 3.15Å; H248-F267 AromaticContact CE1-CD1 3.83Å; H248-F267 AromaticContact CE1-CE1 3.49Å; H248-F267 VanDerWaalsContact CE1-CE1 3.49Å; H248-F267 WeakPolarHBondContact CE1-CE1 3.41Å; H248-F267 AromaticContact CE1-CZ 3.66Å; H248-F267 AromaticContact ND1-CD1 3.8Å; H248-F267 AromaticContact ND1-CD2 3.81Å; H248-F267 AromaticContact ND1-CE1 3.84Å; H248-F267 AromaticContact ND1-CE2 3.9Å; H248-F267 AromaticContact ND1-CG 3.81Å; H248-F267 AromaticContact ND1-CZ 3.91Å; H248-D284 IonicContact CD2-OD2 3.68Å; H248-D284 IonicContact NE2-OD1 3.15Å; H248-D284 PolarHBondContact NE2-OD1 2.99Å; H248-D284 VanDerWaalsContact NE2-OD1 3.15Å; H248-D284 IonicContact NE2-OD2 3.26Å; H248-D284 PolarHBondContact NE2-OD2 3.27Å
249L77.5Confident70Confident39 Ų3982 Ų8220%0.20444%0.435CS..  trans-59.9116.7173.8-92.2-177.6000111.2F141 P143F141-L249 HydrophobicContact CE2-CD1 4.25Å; P143-L249 HydrophobicContact CG-CD2 4.27Å
250E62.8Low66.9Low143 Ų14392.2 Ų92.267%0.66848%0.482SS*.  trans-72145.8172.5-66.1-176173.700111.7H248 N252H248-E250 PolarHBondContact O-N 3.15Å; H248-E250 VanDerWaalsContact O-N 3.15Å; E250-N252 PolarHBondContact O-N 3.16Å
251H50.7Low64.1Low118 Ų11892.8 Ų92.855%0.54649%0.493SS..G310 helixtrans-55.6-17.8-171.8-110.8-84000115.6S253 I254H251-S253 PolarHBondContact O-N 2.9Å; H251-I254 PolarHBondContact O-N 2.74Å
252N45.8Very low61.9Low152 Ų15289.5 Ų89.581%0.81350%0.499SS*.G310 helixtrans-70.9-3.4-171.2-66.8-17.4000114.8E250E250-N252 PolarHBondContact O-N 3.16Å
253S48.9Very low59.7Low91 Ų9192.7 Ų92.764%0.63652%0.516SS*.G310 helixtrans-94.7-5.4-178-42.50000114.2H251H251-S253 PolarHBondContact O-N 2.9Å
254I47.3Very low57.6Low87 Ų8795.1 Ų95.145%0.44653%0.531SS..SBendtrans-110107.7-177.5-58171.9000107.3H251 S256 P264H251-I254 PolarHBondContact O-N 2.74Å; I254-S256 PolarHBondContact O-N 2.88Å; I254-P264 HydrophobicContact CD1-CG 3.9Å
255S40.9Very low56Low96 Ų9692.3 Ų92.367%0.67152%0.516SS*.  trans-51.8135174.645.90000110.6S257S255-S257 PolarHBondContact O-N 2.68Å
256S36.4Very low54.1Low135 Ų13588.7 Ų88.794%0.94451%0.505SS*.THydrogen-bonded Turntrans-67.533-164.850.90000116.8I254I254-S256 PolarHBondContact O-N 2.88Å
257S39.6Very low52.4Low96 Ų9689.3 Ų89.367%0.67151%0.507SS*.THydrogen-bonded Turntrans-121.33.1-173.557.30000116.7S255S255-S257 PolarHBondContact O-N 2.68Å
258E42.2Very low50.7Low172 Ų17291.5 Ų91.580%0.80452%0.519SS*.SBendtrans-135.2108.9177-70-179.7167.800112.1
259Q39.7Very low49.1Very low177 Ų17798.5 Ų98.583%0.82755%0.552SS**  trans39.2100.3161-65.2179.4-11.700118S261Q259-S261 PolarHBondContact O-N 2.98Å
260Q33.9Very low48.1Very low213 Ų213105.6 Ų105.6100%0.99558%0.575SS**  trans-66.742.5168.7-70.9-179.9-3.500114.6
261S37.2Very low47.9Very low94 Ų94102.1 Ų102.166%0.65756%0.562SS**  trans-131.981.8178.861.50000112Q259Q259-S261 PolarHBondContact O-N 2.98Å
262A48.7Very low48.3Very low92 Ų92100.4 Ų100.476%0.7656%0.559SS**SBendtrans140.2118.8154.500000109.2
263L48.8Very low49.3Very low67 Ų6793.6 Ų93.635%0.35152%0.523SS..  trans-60.2134.7174-73.589.8000109.4N265 G266L263-N265 PolarHBondContact O-N 3.02Å; L263-G266 PolarHBondContact O-N 2.84Å
264P52.9Low50Low51 Ų5195.8 Ų95.833%0.33152%0.518SS..THydrogen-bonded Turntrans-59.8-13.9-171.4-22.830.9000114.9I254I254-P264 HydrophobicContact CD1-CG 3.9Å
265N57.7Low50.8Low11 Ų1194 Ų946%0.05951%0.512CS..THydrogen-bonded Turntrans-140.66-174-67.8-52000116.2F247 L263 F267 R440 C457 P460F247-N265 PolarHBondContact O-ND2 3.3Å; L263-N265 PolarHBondContact O-N 3.02Å; N265-F267 HydrophobicContact CB-CD2 3.37Å; N265-F267 HydrophobicContact CB-CE2 3.76Å; N265-F267 HydrophobicContact CB-CG 4.48Å; N265-F267 PolarHBondContact O-N 3.29Å; N265-R440 VanDerWaalsContact CG-NH2 3.33Å; N265-R440 PolarHBondContact ND2-NH1 3.18Å; N265-R440 PolarHBondContact ND2-NH2 3.12Å; N265-R440 VanDerWaalsContact OD1-CZ 3.28Å; N265-R440 PolarHBondContact OD1-NH1 3.21Å; N265-R440 PolarHBondContact OD1-NH2 3.25Å; N265-R440 VanDerWaalsContact OD1-NH2 3.14Å; N265-C457 CarbonylContact O-C 3.47Å; N265-P460 WeakPolarHBondContact OD1-CB 3.43Å
266G54.3Low51.5Low14 Ų1494 Ų9414%0.14451%0.513CS..  trans51.528-176.100000114.8L263 R274 C457L263-G266 PolarHBondContact O-N 2.84Å; G266-R274 VanDerWaalsContact C-CD 3.49Å; G266-R274 WeakPolarHBondContact O-CA 3.32Å; G266-R274 WeakPolarHBondContact O-CB 3.49Å; G266-R274 VanDerWaalsContact O-CD 3.24Å; G266-R274 WeakPolarHBondContact O-CD 3.33Å; G266-R274 WeakPolarHBondContact O-CG 3.49Å; G266-R274 PolarHBondContact O-N 3.14Å; G266-C457 PolarHBondContact O-SG 2.91Å
267F56.6Low52.5Low12 Ų1297.5 Ų97.55%0.05351%0.514CS..BIsolated β-bridgetrans-87149.9167.2-70.2-76.4000109.6H248 N265 N271 V272 C273 R274 C458H248-F267 AromaticContact CE1-CD1 3.83Å; H248-F267 AromaticContact CE1-CE1 3.49Å; H248-F267 VanDerWaalsContact CE1-CE1 3.49Å; H248-F267 WeakPolarHBondContact CE1-CE1 3.41Å; H248-F267 AromaticContact CE1-CZ 3.66Å; H248-F267 AromaticContact ND1-CD1 3.8Å; H248-F267 AromaticContact ND1-CD2 3.81Å; H248-F267 AromaticContact ND1-CE1 3.84Å; H248-F267 AromaticContact ND1-CE2 3.9Å; H248-F267 AromaticContact ND1-CG 3.81Å; H248-F267 AromaticContact ND1-CZ 3.91Å; N265-F267 HydrophobicContact CB-CD2 3.37Å; N265-F267 HydrophobicContact CB-CE2 3.76Å; N265-F267 HydrophobicContact CB-CG 4.48Å; N265-F267 PolarHBondContact O-N 3.29Å; F267-N271 WeakPolarHBondContact CD1-O 3.32Å; F267-V272 CarbonylContact C-O 3.58Å; F267-V272 WeakPolarHBondContact CA-O 3.43Å; F267-C273 HydrophobicContact CE1-CB 4.49Å; F267-R274 PolarHBondContact O-NE 3.25Å; F267-R274 PolarHBondContact O-NH2 3.04Å; F267-C458 HydrophobicContact CE1-CB 4.19Å; F267-C458 WeakPolarHBondContact CE1-SG 3.09Å; F267-C458 HydrophobicContact CZ-CB 3.79Å; F267-C458 VanDerWaalsContact CZ-SG 3.57Å
268D55.1Low53.8Low46 Ų4696.9 Ų96.925%0.24652%0.515CS..  trans-80.8179.9168.177.2-0.6000111.3R270 N271 V272D268-R270 PolarHBondContact O-N 2.91Å; D268-R270 VanDerWaalsContact O-N 3.13Å; D268-R270 VanDerWaalsContact OD1-C 3.29Å; D268-R270 VanDerWaalsContact OD1-CA 3.26Å; D268-R270 WeakPolarHBondContact OD1-CA 3.41Å; D268-R270 WeakPolarHBondContact OD1-CB 3.34Å; D268-R270 PolarHBondContact OD1-N 3.33Å; D268-N271 PolarHBondContact O-N 2.98Å; D268-N271 VanDerWaalsContact O-N 3.12Å; D268-N271 PolarHBondContact OD1-N 3.22Å; D268-N271 VanDerWaalsContact OD1-N 3.15Å; D268-V272 PolarHBondContact N-O 3.05Å; D268-V272 WeakPolarHBondContact OD1-CB 3.26Å; D268-V272 PolarHBondContact OD1-N 3.21Å
269H55.2Low55.5Low163 Ų16390.4 Ų90.476%0.75549%0.488SS*.THydrogen-bonded Turntrans-65.9-8.6177.960.4-81.7000113.8
270R56.3Low57.5Low187 Ų18787 Ų8771%0.70647%0.472SS*.THydrogen-bonded Turntrans-103.410.8176.9-55.8-177.1-178.3-172.8-3.1111.9D268 V272D268-R270 PolarHBondContact O-N 2.91Å; D268-R270 VanDerWaalsContact O-N 3.13Å; D268-R270 VanDerWaalsContact OD1-C 3.29Å; D268-R270 VanDerWaalsContact OD1-CA 3.26Å; D268-R270 WeakPolarHBondContact OD1-CA 3.41Å; D268-R270 WeakPolarHBondContact OD1-CB 3.34Å; D268-R270 PolarHBondContact OD1-N 3.33Å; R270-V272 HydrophobicContact CB-CG2 4Å; R270-V272 PolarHBondContact O-N 3.18Å
271N56.9Low60.1Low71 Ų7177.4 Ų77.438%0.3843%0.427SS..SBendtrans59.923.7-174.2-64-34.2000113.6F267 D268F267-N271 WeakPolarHBondContact CD1-O 3.32Å; D268-N271 PolarHBondContact O-N 2.98Å; D268-N271 VanDerWaalsContact O-N 3.12Å; D268-N271 PolarHBondContact OD1-N 3.22Å; D268-N271 VanDerWaalsContact OD1-N 3.15Å
272V59.3Low62.5Low82 Ų8277.4 Ų77.450%0.49743%0.427SS..  trans-90.4137.4174.1-1760000108.5F267 D268 R270 R274F267-V272 CarbonylContact C-O 3.58Å; F267-V272 WeakPolarHBondContact CA-O 3.43Å; D268-V272 PolarHBondContact N-O 3.05Å; D268-V272 WeakPolarHBondContact OD1-CB 3.26Å; D268-V272 PolarHBondContact OD1-N 3.21Å; R270-V272 HydrophobicContact CB-CG2 4Å; R270-V272 PolarHBondContact O-N 3.18Å; V272-R274 PolarHBondContact O-N 3.08Å
273C66.9Low64.5Low8 Ų876.7 Ų76.75%0.05441%0.41CS..BIsolated β-bridgetrans-56.5133.5175.6-1420000109.2F267 C275 C279 C456 C457 C458F267-C273 HydrophobicContact CE1-CB 4.49Å; C273-C275 CarbonylContact C-O 3.53Å; C273-C275 WeakPolarHBondContact CB-O 3.49Å; C273-C275 CarbonylContact O-C 3.46Å; C273-C275 PolarHBondContact O-N 2.99Å; C273-C279 HydrophobicContact CB-CB 3.98Å; C273-C279 VanDerWaalsContact SG-SG 3.67Å; C273-C456 PolarHBondContact SG-SG 3.29Å; C273-C457 VanDerWaalsContact SG-SG 3.62Å; C273-C458 WeakPolarHBondContact CB-SG 3.4Å; C273-C458 WeakPolarHBondContact SG-CB 3.35Å; C273-C458 CovalentContact SG-SG 2.05Å; C273-C458 PolarHBondContact SG-SG 3.25Å
274R64.1Low66.6Low137 Ų13774.6 Ų74.652%0.51740%0.4SS..SBendtrans-71.5-16.2174.4-72.4170.3-170-129.3-14.3113.2G266 F267 V272 S276G266-R274 VanDerWaalsContact C-CD 3.49Å; G266-R274 WeakPolarHBondContact O-CA 3.32Å; G266-R274 WeakPolarHBondContact O-CB 3.49Å; G266-R274 VanDerWaalsContact O-CD 3.24Å; G266-R274 WeakPolarHBondContact O-CD 3.33Å; G266-R274 WeakPolarHBondContact O-CG 3.49Å; G266-R274 PolarHBondContact O-N 3.14Å; F267-R274 PolarHBondContact O-NE 3.25Å; F267-R274 PolarHBondContact O-NH2 3.04Å; V272-R274 PolarHBondContact O-N 3.08Å; R274-S276 PolarHBondContact O-N 2.99Å
275C64.1Low68.7Low49 Ų4975.7 Ų75.733%0.33140%0.397SS..SBendtrans-67.1108.2155.4-54.80000105.2C273 C457C273-C275 CarbonylContact C-O 3.53Å; C273-C275 WeakPolarHBondContact CB-O 3.49Å; C273-C275 CarbonylContact O-C 3.46Å; C273-C275 PolarHBondContact O-N 2.99Å; C275-C457 PolarHBondContact SG-SG 2.93Å
276S56.6Low70.4Confident98 Ų9876.1 Ų76.169%0.68540%0.4SS*.  trans-54.5-145.5179.8530000113.2R274 A278 C279R274-S276 PolarHBondContact O-N 2.99Å; S276-A278 PolarHBondContact O-N 3.19Å; S276-C279 PolarHBondContact O-N 3.06Å
277E57.1Low72.3Confident208 Ų20876.5 Ų76.597%0.97240%0.397SS*.THydrogen-bonded Turntrans-52.4-1.1-175.6-64.4-179.8171.100116.7
278A67.2Low74.2Confident83 Ų8376 Ų7669%0.68639%0.394SS*.THydrogen-bonded Turntrans-92.88.717600000115.8S276 Q280S276-A278 PolarHBondContact O-N 3.19Å; A278-Q280 PolarHBondContact O-N 3.09Å
279C76.6Confident76.2Confident35 Ų3573.8 Ų73.824%0.23638%0.382CS..  trans-61.6115.6174.3-171.60000110.2C273 S276 F281 C458C273-C279 HydrophobicContact CB-CB 3.98Å; C273-C279 VanDerWaalsContact SG-SG 3.67Å; S276-C279 PolarHBondContact O-N 3.06Å; C279-F281 PolarHBondContact O-N 3.39Å; C279-C458 PolarHBondContact SG-SG 3.47Å
280Q81.8Confident78.1Confident105 Ų10570.4 Ų70.449%0.49136%0.363SS..SBendtrans-69.1-2.6-178.972.8-174.5-11.100114.4A278 T455A278-Q280 PolarHBondContact O-N 3.09Å; Q280-T455 PolarHBondContact NE2-OG1 3.11Å
281F87.9Confident79.8Confident12 Ų1261.5 Ų61.55%0.05333%0.329CS..  trans-114.5124.8-176.9-56.1-70.9000110.8C279 D286 R287 R290 C456 C458 I459C279-F281 PolarHBondContact O-N 3.39Å; F281-D286 VanDerWaalsContact CA-OD2 3.3Å; F281-D286 WeakPolarHBondContact CA-OD2 3.48Å; F281-R287 HydrophobicContact CB-CG 3.69Å; F281-R287 HydrophobicContact CD1-CG 4.34Å; F281-R287 HydrophobicContact CD2-CG 4.09Å; F281-R287 HydrophobicContact CG-CG 3.79Å; F281-R290 HydrophobicContact CD1-CB 4.26Å; F281-R290 HydrophobicContact CE1-CB 3.8Å; F281-C456 HydrophobicContact CD2-CB 4.47Å; F281-C456 HydrophobicContact CE2-CB 3.98Å; F281-C458 HydrophobicContact CD2-CB 4.27Å; F281-I459 HydrophobicContact CD2-CD1 4.4Å; F281-I459 HydrophobicContact CD2-CG1 4.23Å; F281-I459 HydrophobicContact CE2-CD1 3.9Å; F281-I459 HydrophobicContact CE2-CG1 3.35Å; F281-I459 HydrophobicContact CZ-CD1 3.98Å; F281-I459 HydrophobicContact CZ-CG1 3.52Å
282S88.2Confident81.7Confident95 Ų9558.1 Ų58.166%0.66431%0.312SS*.SBendtrans-72.9-30.5-177.154.50000114D286S282-D286 PolarHBondContact N-OD2 3.29Å; S282-D286 WeakPolarHBondContact OG-CB 3.5Å; S282-D286 PolarHBondContact OG-OD2 3.31Å
283N91Very high83.6Confident76 Ų7654.3 Ų54.341%0.40629%0.288SS..SBendtrans-166-178.7179.954.656.4000110.7R285 D286 R287N283-R285 VanDerWaalsContact C-N 3.31Å; N283-R285 PolarHBondContact O-N 2.95Å; N283-R285 WeakPolarHBondContact OD1-CA 3.44Å; N283-R285 VanDerWaalsContact OD1-CB 3.31Å; N283-R285 WeakPolarHBondContact OD1-CB 3.36Å; N283-R285 PolarHBondContact OD1-N 3.5Å; N283-D286 WeakPolarHBondContact O-CB 3.31Å; N283-D286 PolarHBondContact O-N 2.81Å; N283-D286 PolarHBondContact OD1-N 2.83Å; N283-R287 PolarHBondContact O-N 3.37Å
284D93.6Very high85Confident24 Ų2454 Ų5413%0.12829%0.286CS..Hα-helixtrans-64.1-30.2179.6-74.8-25.5000113.6L243 F247 H248 D286 R287 L288L243-D284 HydrophobicContact CB-CB 3.85Å; L243-D284 HydrophobicContact CD1-CB 4.27Å; F247-D284 HydrophobicContact CD2-CB 4.1Å; F247-D284 HydrophobicContact CE2-CB 4.47Å; F247-D284 WeakPolarHBondContact CE2-O 3.18Å; H248-D284 IonicContact CD2-OD2 3.68Å; H248-D284 IonicContact NE2-OD1 3.15Å; H248-D284 PolarHBondContact NE2-OD1 2.99Å; H248-D284 VanDerWaalsContact NE2-OD1 3.15Å; H248-D284 IonicContact NE2-OD2 3.26Å; H248-D284 PolarHBondContact NE2-OD2 3.27Å; D284-D286 VanDerWaalsContact C-N 3.35Å; D284-R287 WeakPolarHBondContact O-CB 3.21Å; D284-R287 PolarHBondContact O-N 2.85Å; D284-R287 IonicContact OD1-CZ 3.66Å; D284-R287 IonicContact OD1-NE 3.96Å; D284-R287 IonicContact OD1-NH1 2.65Å; D284-R287 PolarHBondContact OD1-NH1 3.04Å; D284-L288 PolarHBondContact O-N 2.77Å
285R95.5Very high86.4Confident73 Ų7350.4 Ų50.428%0.27527%0.274SS..Hα-helixtrans-67-38.1174.2-58.8-175.7179.5-154.4-2.9111.2D237 L239 D240 L243 N283 L288 V289D237-R285 IonicContact OD2-NH2 2.81Å; L239-R285 HydrophobicContact CD2-CG 4.28Å; D240-R285 IonicContact OD1-CZ 3.21Å; D240-R285 IonicContact OD1-NE 3.8Å; D240-R285 PolarHBondContact OD1-NE 3.25Å; D240-R285 IonicContact OD1-NH2 2.68Å; D240-R285 PolarHBondContact OD1-NH2 3.16Å; D240-R285 IonicContact OD2-CZ 2.67Å; D240-R285 IonicContact OD2-NE 3.86Å; D240-R285 IonicContact OD2-NH2 3.52Å; D240-R285 PolarHBondContact OD2-NH2 2.97Å; L243-R285 HydrophobicContact CD1-CG 4.16Å; N283-R285 VanDerWaalsContact C-N 3.31Å; N283-R285 PolarHBondContact O-N 2.95Å; N283-R285 WeakPolarHBondContact OD1-CA 3.44Å; N283-R285 VanDerWaalsContact OD1-CB 3.31Å; N283-R285 WeakPolarHBondContact OD1-CB 3.36Å; N283-R285 PolarHBondContact OD1-N 3.5Å; R285-L288 WeakPolarHBondContact O-CB 3.3Å; R285-L288 PolarHBondContact O-N 2.87Å; R285-V289 WeakPolarHBondContact O-CG2 3.13Å; R285-V289 PolarHBondContact O-N 3.29Å
286D94.4Very high88Confident21 Ų2148 Ų4811%0.11226%0.258CS..Hα-helixtrans-68.8-35174.4-166.228.6000112F281 S282 N283 D284 L288 V289 R290F281-D286 VanDerWaalsContact CA-OD2 3.3Å; F281-D286 WeakPolarHBondContact CA-OD2 3.48Å; S282-D286 PolarHBondContact N-OD2 3.29Å; S282-D286 WeakPolarHBondContact OG-CB 3.5Å; S282-D286 PolarHBondContact OG-OD2 3.31Å; N283-D286 WeakPolarHBondContact O-CB 3.31Å; N283-D286 PolarHBondContact O-N 2.81Å; N283-D286 PolarHBondContact OD1-N 2.83Å; D284-D286 VanDerWaalsContact C-N 3.35Å; D286-L288 VanDerWaalsContact C-N 3.34Å; D286-V289 PolarHBondContact O-N 2.95Å; D286-R290 PolarHBondContact O-N 2.96Å; D286-R290 WeakPolarHBondContact OD1-CD 3.24Å; D286-R290 WeakPolarHBondContact OD1-CG 3.45Å; D286-R290 IonicContact OD1-NE 3.62Å
287R94.2Very high89.9Confident22 Ų2243.4 Ų43.48%0.08323%0.226CC..Iπ-helixtrans-62-40.1169.5-67177.7-176.71146.3111.9F247 F281 N283 D284 G291 T292 C458 I459F247-R287 HydrophobicContact CD2-CB 4.18Å; F247-R287 HydrophobicContact CE1-CB 4.06Å; F247-R287 HydrophobicContact CE2-CB 3.67Å; F247-R287 HydrophobicContact CZ-CB 3.62Å; F281-R287 HydrophobicContact CB-CG 3.69Å; F281-R287 HydrophobicContact CD1-CG 4.34Å; F281-R287 HydrophobicContact CD2-CG 4.09Å; F281-R287 HydrophobicContact CG-CG 3.79Å; N283-R287 PolarHBondContact O-N 3.37Å; D284-R287 WeakPolarHBondContact O-CB 3.21Å; D284-R287 PolarHBondContact O-N 2.85Å; D284-R287 IonicContact OD1-CZ 3.66Å; D284-R287 IonicContact OD1-NE 3.96Å; D284-R287 IonicContact OD1-NH1 2.65Å; D284-R287 PolarHBondContact OD1-NH1 3.04Å; R287-G291 CarbonylContact O-C 3.6Å; R287-G291 WeakPolarHBondContact O-CA 3.19Å; R287-G291 PolarHBondContact O-N 3.18Å; R287-G291 VanDerWaalsContact O-N 3.11Å; R287-T292 PolarHBondContact O-N 3.15Å; R287-T292 PolarHBondContact O-OG1 2.83Å; R287-T292 VanDerWaalsContact O-OG1 3.06Å; R287-C458 PolarHBondContact NH2-SG 3.06Å; R287-C458 VanDerWaalsContact NH2-SG 3.41Å; R287-I459 HydrophobicContact CB-CD1 3.67Å; R287-I459 HydrophobicContact CG-CD1 3.91Å
288L96.7Very high91.7Very high0 Ų034.5 Ų34.50%019%0.185CC..Iπ-helixtrans-61.7-52.2171.6174.866.2000110.7L145 V147 L215 L239 L243 D284 R285 D286 T292 L293L145-L288 HydrophobicContact CD2-CD1 3.96Å; V147-L288 HydrophobicContact CG2-CD1 4.19Å; L215-L288 HydrophobicContact CD1-CD2 4.42Å; L215-L288 HydrophobicContact CD2-CD2 4.16Å; L239-L288 HydrophobicContact CD1-CD2 4.29Å; L243-L288 HydrophobicContact CD1-CB 4.1Å; L243-L288 HydrophobicContact CD1-CD2 4.16Å; L243-L288 HydrophobicContact CD2-CB 4.17Å; L243-L288 HydrophobicContact CD2-CD1 4.28Å; L243-L288 HydrophobicContact CD2-CD2 4.14Å; L243-L288 HydrophobicContact CD2-CG 4.43Å; D284-L288 PolarHBondContact O-N 2.77Å; R285-L288 WeakPolarHBondContact O-CB 3.3Å; R285-L288 PolarHBondContact O-N 2.87Å; D286-L288 VanDerWaalsContact C-N 3.34Å; L288-T292 VanDerWaalsContact O-CB 3.25Å; L288-T292 WeakPolarHBondContact O-CB 3.36Å; L288-T292 PolarHBondContact O-N 3.01Å; L288-L293 HydrophobicContact CD1-CD1 4.07Å; L288-L293 HydrophobicContact CD1-CD2 4.46Å; L288-L293 HydrophobicContact CD1-CG 3.98Å; L288-L293 HydrophobicContact CD2-CD1 4.45Å; L288-L293 HydrophobicContact CG-CD1 3.92Å; L288-L293 HydrophobicContact CG-CG 4.23Å; L288-L293 WeakPolarHBondContact O-CG 3.46Å; L288-L293 PolarHBondContact O-N 3.04Å
289V97.3Very high92.9Very high0 Ų032.1 Ų32.10%016%0.16CC..Iπ-helixtrans-70-63.9-174174.10000112.3V208 L211 L215 R285 D286 L293 L294V208-V289 HydrophobicContact CB-CG1 4.36Å; V208-V289 HydrophobicContact CG1-CG1 3.81Å; V208-V289 HydrophobicContact CG2-CG1 4.22Å; L211-V289 HydrophobicContact CB-CG1 3.84Å; L211-V289 HydrophobicContact CB-CG2 4.38Å; L211-V289 HydrophobicContact CD1-CG1 3.99Å; L215-V289 HydrophobicContact CD1-CG2 3.25Å; L215-V289 HydrophobicContact CG-CG2 4.46Å; R285-V289 WeakPolarHBondContact O-CG2 3.13Å; R285-V289 PolarHBondContact O-N 3.29Å; D286-V289 PolarHBondContact O-N 2.95Å; V289-L293 PolarHBondContact O-N 3.12Å; V289-L294 WeakPolarHBondContact O-CB 3.48Å; V289-L294 PolarHBondContact O-N 3.3Å
290R94.6Very high93.6Very high92 Ų9236.9 Ų36.935%0.34718%0.176SC..Iπ-helixtrans-81.2-37.9-173.3-68.3-172.7175.9-77.21.8112.2V208 F281 D286V208-R290 HydrophobicContact CG1-CG 4.25Å; V208-R290 HydrophobicContact CG2-CG 4.05Å; F281-R290 HydrophobicContact CD1-CB 4.26Å; F281-R290 HydrophobicContact CE1-CB 3.8Å; D286-R290 PolarHBondContact O-N 2.96Å; D286-R290 WeakPolarHBondContact OD1-CD 3.24Å; D286-R290 WeakPolarHBondContact OD1-CG 3.45Å; D286-R290 IonicContact OD1-NE 3.62Å
291G92.7Very high93.8Very high0 Ų032.9 Ų32.90%016%0.157CC..Iπ-helixtrans-79.7-26.3-17600000114.1R287 K295R287-G291 CarbonylContact O-C 3.6Å; R287-G291 WeakPolarHBondContact O-CA 3.19Å; R287-G291 PolarHBondContact O-N 3.18Å; R287-G291 VanDerWaalsContact O-N 3.11Å; G291-K295 WeakPolarHBondContact O-CD 3.1Å
292T96.2Very high93.1Very high1 Ų137.3 Ų37.31%0.00618%0.181CC..Iπ-helixtrans-123.2-65.6-172.5-47.80000112.1R287 L288 K295 A296 V438 I452 M462R287-T292 PolarHBondContact O-N 3.15Å; R287-T292 PolarHBondContact O-OG1 2.83Å; R287-T292 VanDerWaalsContact O-OG1 3.06Å; L288-T292 VanDerWaalsContact O-CB 3.25Å; L288-T292 WeakPolarHBondContact O-CB 3.36Å; L288-T292 PolarHBondContact O-N 3.01Å; T292-K295 PolarHBondContact O-N 2.95Å; T292-A296 WeakPolarHBondContact O-CB 3.15Å; T292-A296 PolarHBondContact O-N 3.22Å; T292-V438 HydrophobicContact CG2-CG1 4.06Å; T292-V438 HydrophobicContact CG2-CG2 3.89Å; T292-I452 HydrophobicContact CG2-CD1 4.32Å; T292-M462 HydrophobicContact CG2-CE 4.03Å; T292-M462 HydrophobicContact CG2-SD 4.42Å
293L97.8Very high92Very high1 Ų134.1 Ų34.11%0.00516%0.159CC..Iπ-helixtrans-67.5-44.8-171-66.2179.1000113.2V147 L211 F222 L288 V289 K295 A296 L297 I436V147-L293 HydrophobicContact CB-CD2 3.9Å; V147-L293 HydrophobicContact CG1-CD1 4.3Å; V147-L293 HydrophobicContact CG1-CD2 4.02Å; V147-L293 HydrophobicContact CG2-CD2 3.86Å; L211-L293 HydrophobicContact CD1-CB 3.77Å; L211-L293 HydrophobicContact CD2-CB 4.37Å; L211-L293 HydrophobicContact CD2-CD1 4.18Å; F222-L293 HydrophobicContact CE2-CD1 4.04Å; F222-L293 HydrophobicContact CZ-CD1 3.99Å; L288-L293 HydrophobicContact CD1-CD1 4.07Å; L288-L293 HydrophobicContact CD1-CD2 4.46Å; L288-L293 HydrophobicContact CD1-CG 3.98Å; L288-L293 HydrophobicContact CD2-CD1 4.45Å; L288-L293 HydrophobicContact CG-CD1 3.92Å; L288-L293 HydrophobicContact CG-CG 4.23Å; L288-L293 WeakPolarHBondContact O-CG 3.46Å; L288-L293 PolarHBondContact O-N 3.04Å; V289-L293 PolarHBondContact O-N 3.12Å; L293-K295 VanDerWaalsContact C-N 3.27Å; L293-K295 PolarHBondContact O-N 3.25Å; L293-A296 PolarHBondContact O-N 3.46Å; L293-L297 VanDerWaalsContact O-CB 3.3Å; L293-L297 WeakPolarHBondContact O-CB 3.36Å; L293-L297 VanDerWaalsContact O-CG 3.3Å; L293-L297 WeakPolarHBondContact O-CG 3.43Å; L293-L297 PolarHBondContact O-N 3.1Å; L293-I436 HydrophobicContact CD2-CB 4.49Å; L293-I436 HydrophobicContact CD2-CD1 3.76Å; L293-I436 HydrophobicContact CD2-CG2 4.35Å
294L96.3Very high90.5Very high3 Ų335.6 Ų35.62%0.01617%0.171CC..Hα-helixtrans-58.2-40.9175.5174.865.3000111.4R204 L207 V208 V289 L298R204-L294 HydrophobicContact CB-CD1 4.39Å; R204-L294 VanDerWaalsContact NH2-CD2 3.3Å; L207-L294 HydrophobicContact CB-CD1 4.22Å; L207-L294 HydrophobicContact CD1-CD1 4Å; L207-L294 HydrophobicContact CD2-CD1 3.69Å; L207-L294 HydrophobicContact CG-CD1 4.17Å; V208-L294 HydrophobicContact CG2-CB 4.48Å; V208-L294 HydrophobicContact CG2-CD1 4.27Å; V208-L294 HydrophobicContact CG2-CD2 3.76Å; V208-L294 HydrophobicContact CG2-CG 4.4Å; V289-L294 WeakPolarHBondContact O-CB 3.48Å; V289-L294 PolarHBondContact O-N 3.3Å; L294-L298 HydrophobicContact CD1-CD1 3.6Å; L294-L298 HydrophobicContact CD1-CG 4.38Å; L294-L298 HydrophobicContact CG-CD1 4.34Å; L294-L298 WeakPolarHBondContact O-CB 3.25Å; L294-L298 WeakPolarHBondContact O-CG 3.41Å; L294-L298 PolarHBondContact O-N 3.23Å
295K94.7Very high88.6Confident60 Ų6041.5 Ų41.526%0.26120%0.202SC..Hα-helixtrans-68.9-47.7176.9-69.9-175.3-179.5-100.10111.1G291 T292 L293 L297 L298 H299 I452 S453G291-K295 WeakPolarHBondContact O-CD 3.1Å; T292-K295 PolarHBondContact O-N 2.95Å; L293-K295 VanDerWaalsContact C-N 3.27Å; L293-K295 PolarHBondContact O-N 3.25Å; K295-L297 PolarHBondContact O-N 3.01Å; K295-L298 CarbonylContact O-C 3.54Å; K295-L298 PolarHBondContact O-N 2.87Å; K295-H299 WeakPolarHBondContact O-CB 3.35Å; K295-H299 PolarHBondContact O-N 3.3Å; K295-I452 HydrophobicContact CB-CB 4.48Å; K295-I452 HydrophobicContact CB-CD1 4.44Å; K295-I452 HydrophobicContact CB-CG2 4.45Å; K295-S453 WeakPolarHBondContact CD-O 3.24Å; K295-S453 WeakPolarHBondContact CE-O 3.34Å; K295-S453 PolarHBondContact NZ-O 3.21Å
296A96.7Very high87Confident0 Ų038.9 Ų38.90%019%0.194CC..Hα-helixtrans-61.2-43.4-179.300000113T292 L293 L298 H299 I436 I452 L464T292-A296 WeakPolarHBondContact O-CB 3.15Å; T292-A296 PolarHBondContact O-N 3.22Å; L293-A296 PolarHBondContact O-N 3.46Å; A296-L298 VanDerWaalsContact C-N 3.34Å; A296-L298 PolarHBondContact O-N 3.41Å; A296-H299 WeakPolarHBondContact O-CB 3.38Å; A296-H299 PolarHBondContact O-N 2.78Å; A296-I436 HydrophobicContact CB-CD1 4.36Å; A296-I436 HydrophobicContact CB-CG2 3.62Å; A296-I452 HydrophobicContact CB-CD1 4.35Å; A296-L464 HydrophobicContact CB-CD1 3.61Å; A296-L464 HydrophobicContact CB-CD2 4.09Å
297L97.1Very high85Confident0 Ų044.9 Ų44.90%023%0.226CC..Hα-helixtrans-70.3-29.4-178.5-75170.1000113.4I149 L199 L207 L211 L293 K295 C355 I356 L357 I434 I436I149-L297 HydrophobicContact CD1-CD1 4.27Å; L199-L297 HydrophobicContact CD1-CD1 3.92Å; L207-L297 HydrophobicContact CD2-CD1 4.07Å; L211-L297 HydrophobicContact CD1-CD1 4.3Å; L211-L297 HydrophobicContact CD2-CD1 4Å; L293-L297 VanDerWaalsContact O-CB 3.3Å; L293-L297 WeakPolarHBondContact O-CB 3.36Å; L293-L297 VanDerWaalsContact O-CG 3.3Å; L293-L297 WeakPolarHBondContact O-CG 3.43Å; L293-L297 PolarHBondContact O-N 3.1Å; K295-L297 PolarHBondContact O-N 3.01Å; L297-C355 WeakPolarHBondContact O-CB 3.43Å; L297-I356 HydrophobicContact CD2-CG2 4.04Å; L297-L357 HydrophobicContact CB-CD1 3.81Å; L297-L357 HydrophobicContact CB-CG 4.23Å; L297-L357 HydrophobicContact CD2-CD1 4.27Å; L297-L357 HydrophobicContact CD2-CD2 4Å; L297-L357 HydrophobicContact CD2-CG 3.97Å; L297-L357 HydrophobicContact CG-CD1 4.44Å; L297-I434 HydrophobicContact CD2-CD1 4.18Å; L297-I434 HydrophobicContact CD2-CG2 4.48Å; L297-I436 HydrophobicContact CD2-CD1 3.73Å; L297-I436 HydrophobicContact CG-CD1 3.8Å
298L94.8Very high82.9Confident22 Ų2247.5 Ų47.512%0.11525%0.245CC..THydrogen-bonded Turntrans-97.82.8177.1-61.3178.6000112.7R204 L207 L294 K295 A296 K300 L351 P352R204-L298 HydrophobicContact CG-CD1 4.22Å; L207-L298 HydrophobicContact CD1-CD1 4.22Å; L207-L298 HydrophobicContact CD1-CD2 3.78Å; L207-L298 HydrophobicContact CD1-CG 3.95Å; L294-L298 HydrophobicContact CD1-CD1 3.6Å; L294-L298 HydrophobicContact CD1-CG 4.38Å; L294-L298 HydrophobicContact CG-CD1 4.34Å; L294-L298 WeakPolarHBondContact O-CB 3.25Å; L294-L298 WeakPolarHBondContact O-CG 3.41Å; L294-L298 PolarHBondContact O-N 3.23Å; K295-L298 CarbonylContact O-C 3.54Å; K295-L298 PolarHBondContact O-N 2.87Å; A296-L298 VanDerWaalsContact C-N 3.34Å; A296-L298 PolarHBondContact O-N 3.41Å; L298-K300 PolarHBondContact O-N 2.99Å; L298-L351 HydrophobicContact CD2-CD2 3.99Å; L298-P352 HydrophobicContact CB-CG 4.32Å; L298-P352 HydrophobicContact CD2-CG 4.38Å
299H93.7Very high80.6Confident33 Ų3356.7 Ų56.715%0.15328%0.284CS..  trans-67.9128.2-178.6-170.577000110.5K295 A296 F301 C355 S449 L464K295-H299 WeakPolarHBondContact O-CB 3.35Å; K295-H299 PolarHBondContact O-N 3.3Å; A296-H299 WeakPolarHBondContact O-CB 3.38Å; A296-H299 PolarHBondContact O-N 2.78Å; H299-F301 HydrophobicContact CB-CE2 4.15Å; H299-F301 AromaticContact CD2-CD2 3.9Å; H299-F301 AromaticContact CD2-CE1 3.9Å; H299-F301 AromaticContact CD2-CE2 3.69Å; H299-F301 AromaticContact CD2-CZ 3.7Å; H299-F301 WeakPolarHBondContact O-CD2 3.14Å; H299-F301 PolarHBondContact O-N 3.12Å; H299-C355 VanDerWaalsContact O-CA 3.28Å; H299-C355 WeakPolarHBondContact O-CA 3.36Å; H299-C355 VanDerWaalsContact O-CB 3.31Å; H299-C355 WeakPolarHBondContact O-CB 3.38Å; H299-S449 PolarHBondContact NE2-O 2.82Å; H299-L464 HydrophobicContact CB-CD2 3.74Å
300K90Very high78.2Confident135 Ų13561 Ų6159%0.58731%0.311SS*.  trans-86.4109.4177.5177.5165-174.8178.20109.4L298 D353L298-K300 PolarHBondContact O-N 2.99Å; K300-D353 VanDerWaalsContact CD-O 3.31Å; K300-D353 WeakPolarHBondContact CD-O 3.36Å; K300-D353 WeakPolarHBondContact CE-O 3.28Å; K300-D353 VanDerWaalsContact CG-O 3.25Å; K300-D353 WeakPolarHBondContact CG-O 3.17Å
301F85.5Confident76.3Confident21 Ų2159.2 Ų59.29%0.09231%0.308CS..  trans-83152.7170.5-67.2-90.5000109.9Q81 F82 H299 C303 L464 C466Q81-F301 VanDerWaalsContact NE2-CB 3.31Å; F82-F301 AromaticContact CE1-CD2 3.54Å; F82-F301 HydrophobicContact CE1-CD2 3.54Å; F82-F301 AromaticContact CE1-CE2 3.68Å; F82-F301 HydrophobicContact CE1-CE2 3.68Å; F82-F301 HydrophobicContact CE1-CG 4.09Å; F82-F301 HydrophobicContact CE1-CZ 4.32Å; F82-F301 HydrophobicContact CZ-CB 4.36Å; F82-F301 AromaticContact CZ-CD2 3.56Å; F82-F301 HydrophobicContact CZ-CD2 3.56Å; F82-F301 HydrophobicContact CZ-CE2 4.11Å; F82-F301 HydrophobicContact CZ-CG 4.12Å; H299-F301 HydrophobicContact CB-CE2 4.15Å; H299-F301 AromaticContact CD2-CD2 3.9Å; H299-F301 AromaticContact CD2-CE1 3.9Å; H299-F301 AromaticContact CD2-CE2 3.69Å; H299-F301 AromaticContact CD2-CZ 3.7Å; H299-F301 WeakPolarHBondContact O-CD2 3.14Å; H299-F301 PolarHBondContact O-N 3.12Å; F301-C303 PolarHBondContact O-N 3.5Å; F301-C303 PolarHBondContact O-SG 3.28Å; F301-C303 VanDerWaalsContact O-SG 3.35Å; F301-L464 HydrophobicContact CE2-CD2 4.34Å; F301-L464 HydrophobicContact CZ-CD2 3.7Å; F301-L464 HydrophobicContact CZ-CG 4.03Å; F301-C466 HydrophobicContact CE2-CB 4.2Å; F301-C466 HydrophobicContact CZ-CB 3.99Å
302D74.8Confident74.3Confident104 Ų10462.5 Ų62.556%0.55633%0.325SS*.  trans-71.1123.2177-1744000110.5Q81 T304Q81-D302 PolarHBondContact OE1-O 3.5Å; D302-T304 WeakPolarHBondContact OD1-CG2 2.97Å; D302-T304 PolarHBondContact OD1-N 3.49Å; D302-T304 VanDerWaalsContact OD1-N 3.1Å; D302-T304 PolarHBondContact OD1-OG1 3.48Å; D302-T304 VanDerWaalsContact OD1-OG1 3.12Å; D302-T304 PolarHBondContact OD2-OG1 3.21Å
303C63.9Low72Confident28 Ų2866.5 Ų66.519%0.18935%0.35CS..  trans-106.111.4-173.2-63.50000112.9F301 N305 D306 G354 R359F301-C303 PolarHBondContact O-N 3.5Å; F301-C303 PolarHBondContact O-SG 3.28Å; F301-C303 VanDerWaalsContact O-SG 3.35Å; C303-N305 PolarHBondContact O-N 2.97Å; C303-D306 PolarHBondContact O-N 3.31Å; C303-G354 WeakPolarHBondContact SG-CA 3.41Å; C303-R359 VanDerWaalsContact CB-NH2 3.29Å; C303-R359 PolarHBondContact SG-NH2 3.43Å
304T59.4Low70.1Confident108 Ų10868.8 Ų68.866%0.66336%0.362SS*.THydrogen-bonded Turntrans-53.6-23.3-171.841.20000115.2D302D302-T304 WeakPolarHBondContact OD1-CG2 2.97Å; D302-T304 PolarHBondContact OD1-N 3.49Å; D302-T304 VanDerWaalsContact OD1-N 3.1Å; D302-T304 PolarHBondContact OD1-OG1 3.48Å; D302-T304 VanDerWaalsContact OD1-OG1 3.12Å; D302-T304 PolarHBondContact OD2-OG1 3.21Å
305N55.1Low67.8Low147 Ų14773.4 Ų73.479%0.78639%0.387SS*.THydrogen-bonded Turntrans-105.6-2.5-179.5-67.6-31.6000115.2C303C303-N305 PolarHBondContact O-N 2.97Å
306D60.6Low65.3Low18 Ų1874.2 Ų74.210%0.09640%0.4CS..SBendtrans-87.8127.8177.7-75.1-20.5000109.6G79 S80 C303 T308 R359G79-D306 WeakPolarHBondContact CA-OD2 3.35Å; S80-D306 PolarHBondContact N-OD1 3.3Å; S80-D306 PolarHBondContact OG-OD1 3.39Å; C303-D306 PolarHBondContact O-N 3.31Å; D306-T308 PolarHBondContact O-N 2.73Å; D306-R359 IonicContact OD2-CZ 3.39Å; D306-R359 IonicContact OD2-NH2 3.67Å; D306-R359 PolarHBondContact OD2-NH2 2.79Å
307D53.3Low62.8Low147 Ų14778.7 Ų78.779%0.78643%0.428SS*.  trans-62.887169.4-95-39.1000109.3K309D307-K309 PolarHBondContact O-N 3.16Å
308T49.3Very low60.5Low78 Ų7887.3 Ų87.348%0.47947%0.474SS..G310 helixtrans-66.8-1.2-177.2420000114.1D306 V310 L311D306-T308 PolarHBondContact O-N 2.73Å; T308-V310 PolarHBondContact O-N 3.4Å; T308-L311 HydrophobicContact CG2-CD1 4.29Å; T308-L311 PolarHBondContact O-N 3.04Å
309K47.8Very low58.8Low192 Ų19296.9 Ų96.984%0.83551%0.508SS*.G310 helixtrans-61.1-10.8-173.5-72.8-176177.5176.60115.6D307D307-K309 PolarHBondContact O-N 3.16Å
310V48.8Very low57.7Low92 Ų9299.5 Ų99.556%0.55852%0.521SS*.G310 helixtrans-107.80.1-175.4-168.80000113.2T308 I312 L366T308-V310 PolarHBondContact O-N 3.4Å; V310-I312 PolarHBondContact O-N 3.03Å; V310-I312 VanDerWaalsContact O-N 3.08Å; V310-L366 HydrophobicContact CG1-CD2 4.12Å
311L53.1Low57.5Low53 Ų5395.2 Ų95.228%0.27751%0.507SS..  trans-72.1109.5177.1-65.8173.2000109.4T308 P313 S362T308-L311 HydrophobicContact CG2-CD1 4.29Å; T308-L311 PolarHBondContact O-N 3.04Å; L311-P313 WeakPolarHBondContact O-CD 3.34Å; L311-P313 VanDerWaalsContact O-N 3.17Å; L311-S362 WeakPolarHBondContact CD2-OG 3.42Å
312I51.6Low57.6Low70 Ų7095 Ų9536%0.35951%0.506SS..  trans-54.5121.8167.9-64170.2000106.5V310 I314 L365V310-I312 PolarHBondContact O-N 3.03Å; V310-I312 VanDerWaalsContact O-N 3.08Å; I312-I314 PolarHBondContact O-N 3.35Å; I312-L365 WeakPolarHBondContact CD1-O 3.45Å
313P48.4Very low58.3Low84 Ų8491.1 Ų91.155%0.54549%0.487SS..  trans-58.6112.8172.1-16.428000106.9L311 N315L311-P313 WeakPolarHBondContact O-CD 3.34Å; L311-P313 VanDerWaalsContact O-N 3.17Å; P313-N315 PolarHBondContact O-N 2.8Å
314I56.6Low59.5Low49 Ų4991 Ų9125%0.25148%0.484SS..THydrogen-bonded Turntrans-60.9-11.7-179.9-67.1174.5000110.6I312 F322 L361I312-I314 PolarHBondContact O-N 3.35Å; I314-F322 HydrophobicContact CG2-CZ 4.18Å; I314-L361 HydrophobicContact CD1-CD2 4.36Å
315N48.7Very low60.9Low100 Ų10092.1 Ų92.154%0.53548%0.481SS..THydrogen-bonded Turntrans-124.316.2-169.1-63.7-16.4000116.4P313P313-N315 PolarHBondContact O-N 2.8Å
316S42Very low62.7Low78 Ų7885.6 Ų85.655%0.54545%0.447SS..  trans-110.324.3-168.182.10000119.4
317T43.8Very low64.1Low94 Ų9486 Ų8658%0.57745%0.453SS*.SBendtrans-146143.117354.10000113.2R319T317-R319 CarbonylContact O-C 3.57Å; T317-R319 PolarHBondContact O-N 3.37Å; T317-R319 PolarHBondContact OG1-O 3.15Å
318D48.6Very low65.7Low181 Ų18180.7 Ų80.797%0.96843%0.425SS*.SBendtrans-55-13179.2-80.8-29.7000115.1
319R59.5Low67.4Low222 Ų22278.4 Ų78.484%0.83841%0.408SS*.SBendtrans-128.7119.1167.2-68.6-176-179.4177.60.7109T317T317-R319 CarbonylContact O-C 3.57Å; T317-R319 PolarHBondContact O-N 3.37Å; T317-R319 PolarHBondContact OG1-O 3.15Å
320Q71.4Confident68.5Low88 Ų8872.9 Ų72.941%0.41140%0.399SS..  trans-68125.5170.7-76.4-173.1-24.300109F322Q320-F322 PolarHBondContact O-N 3.19Å; Q320-F322 VanDerWaalsContact O-N 3.12Å
321P84.6Confident69.2Low46 Ų4675.3 Ų75.330%0.29941%0.408SS..SBendtrans-76.56-177.130.3-33.6000113.3L158 T368L158-P321 PolarHBondContact N-O 2.94Å; P321-T368 HydrophobicContact CB-CG2 4.23Å; P321-T368 HydrophobicContact CG-CG2 3.96Å
322F89Confident69.6Low15 Ų1575.8 Ų75.87%0.06641%0.409CS..EExtended strand (participates in β ladder)trans-151164177.664.9-87.5000110.8A155 I156 I314 Q320 M324 L365A155-F322 HydrophobicContact CB-CB 4.1Å; A155-F322 HydrophobicContact CB-CD2 3.75Å; A155-F322 HydrophobicContact CB-CG 4.09Å; I156-F322 CarbonylContact O-C 3.6Å; I156-F322 WeakPolarHBondContact O-CA 3.49Å; I156-F322 WeakPolarHBondContact O-CB 3.1Å; I314-F322 HydrophobicContact CG2-CZ 4.18Å; Q320-F322 PolarHBondContact O-N 3.19Å; Q320-F322 VanDerWaalsContact O-N 3.12Å; F322-M324 HydrophobicContact CD2-CG 4.28Å; F322-M324 HydrophobicContact CD2-SD 3.96Å; F322-M324 HydrophobicContact CE2-CG 4.04Å; F322-M324 HydrophobicContact CE2-SD 3.91Å; F322-L365 HydrophobicContact CB-CD2 4.45Å; F322-L365 HydrophobicContact CD1-CD1 4.07Å; F322-L365 HydrophobicContact CD1-CD2 3.92Å; F322-L365 HydrophobicContact CE1-CD1 3.66Å; F322-L365 HydrophobicContact CE1-CD2 4.37Å; F322-L365 HydrophobicContact CE2-CD1 4.34Å; F322-L365 HydrophobicContact CG-CD2 4.06Å; F322-L365 HydrophobicContact CZ-CD1 3.81Å
323S89.1Confident69.7Low23 Ų2381.4 Ų81.416%0.16143%0.431CS..EExtended strand (participates in β ladder)trans-119.1151172.5174.70000110.5I156 H325I156-S323 WeakPolarHBondContact CB-O 3.39Å; I156-S323 PolarHBondContact N-O 3.04Å; I156-S323 PolarHBondContact O-N 3.16Å; S323-H325 PolarHBondContact OG-N 2.82Å; S323-H325 PolarHBondContact OG-O 3.33Å
324M89.8Confident69.8Low26 Ų2680.5 Ų80.513%0.12842%0.419CS..  trans-109.67.7168.5-54.3-63.4-81.700111.6G154 A155 C197 F200 R206 F322G154-M324 WeakPolarHBondContact O-CE 3.16Å; A155-M324 HydrophobicContact CB-SD 3.84Å; C197-M324 HydrophobicContact CB-CB 4.35Å; C197-M324 VanDerWaalsContact CB-O 3.23Å; C197-M324 WeakPolarHBondContact CB-O 3.16Å; F200-M324 VanDerWaalsContact C-CE 3.44Å; F200-M324 HydrophobicContact CB-CE 3.41Å; F200-M324 VanDerWaalsContact CB-CE 3.41Å; F200-M324 WeakPolarHBondContact O-CE 3.41Å; R206-M324 PolarHBondContact NH1-O 3.24Å; R206-M324 PolarHBondContact NH2-O 2.86Å; F322-M324 HydrophobicContact CD2-CG 4.28Å; F322-M324 HydrophobicContact CD2-SD 3.96Å; F322-M324 HydrophobicContact CE2-CG 4.04Å; F322-M324 HydrophobicContact CE2-SD 3.91Å
325H88.8Confident69.2Low132 Ų13285.1 Ų85.161%0.61144%0.439SS*.  trans-100.7106.6179.3-64-73.4000109.5I156 S323I156-H325 VanDerWaalsContact CD1-O 3.32Å; I156-H325 WeakPolarHBondContact CD1-O 3.36Å; S323-H325 PolarHBondContact OG-N 2.82Å; S323-H325 PolarHBondContact OG-O 3.33Å
326C91.2Very high68.7Low9 Ų982.5 Ų82.56%0.06143%0.429CS..  trans-89.1118.2179.7-172.40000110I156 S173 L328 H329I156-C326 HydrophobicContact CD1-CB 4.22Å; S173-C326 PolarHBondContact N-SG 3.27Å; C326-L328 PolarHBondContact O-N 2.82Å; C326-L328 VanDerWaalsContact O-N 3.15Å; C326-H329 PolarHBondContact O-N 3.21Å
327A90Very high68.3Low27 Ų2785.6 Ų85.622%0.22344%0.444CS..G310 helixtrans-58.4-29-177.700000113.6S171 H329 A330S171-A327 WeakPolarHBondContact O-CB 3.31Å; S171-A327 PolarHBondContact O-N 3.27Å; A327-H329 PolarHBondContact O-N 2.87Å; A327-H329 VanDerWaalsContact O-N 3.13Å; A327-A330 WeakPolarHBondContact O-CB 3.22Å; A327-A330 PolarHBondContact O-N 2.96Å
328L87.9Confident68Low36 Ų3686 Ų8619%0.18845%0.451CS..G310 helixtrans-67.8-8.4176.2-67.5174.1000114A172 C176 L177 C326 Q497 L500 L501A172-L328 HydrophobicContact CB-CD1 3.96Å; A172-L328 HydrophobicContact CB-CG 4.01Å; C176-L328 HydrophobicContact CB-CD1 3.66Å; L177-L328 HydrophobicContact CD2-CD1 4.31Å; C326-L328 PolarHBondContact O-N 2.82Å; C326-L328 VanDerWaalsContact O-N 3.15Å; L328-Q497 HydrophobicContact CD2-CB 4.1Å; L328-Q497 HydrophobicContact CD2-CG 4.07Å; L328-L500 HydrophobicContact CD2-CB 4.42Å; L328-L500 HydrophobicContact CD2-CD1 4.25Å; L328-L501 HydrophobicContact CD1-CD2 4.36Å; L328-L501 HydrophobicContact CD2-CD2 3.8Å; L328-L501 HydrophobicContact CD2-CG 4.22Å; L328-L501 HydrophobicContact CG-CD2 3.87Å
329H83.8Confident67.5Low29 Ų2979.4 Ų79.413%0.13442%0.418CS..G310 helixtrans-123.411.2179.6-60.1-89.9000112.4C176 T193 C326 A327 D331 Q332C176-H329 PolarHBondContact SG-NE2 3.28Å; T193-H329 PolarHBondContact O-CE1 2.76Å; C326-H329 PolarHBondContact O-N 3.21Å; A327-H329 PolarHBondContact O-N 2.87Å; A327-H329 VanDerWaalsContact O-N 3.13Å; H329-D331 VanDerWaalsContact C-N 3.25Å; H329-D331 PolarHBondContact O-N 3.11Å; H329-Q332 HydrophobicContact CB-CG 4.46Å; H329-Q332 PolarHBondContact ND1-OE1 3.24Å; H329-Q332 WeakPolarHBondContact O-CB 3.28Å; H329-Q332 PolarHBondContact O-N 2.85Å; H329-Q332 VanDerWaalsContact O-N 3.07Å
330A72.2Confident66.4Low77 Ų7776.7 Ų76.764%0.63642%0.42SS*.THydrogen-bonded Turntrans-60.4-32.4-174.500000113.6A327 Q332A327-A330 WeakPolarHBondContact O-CB 3.22Å; A327-A330 PolarHBondContact O-N 2.96Å; A330-Q332 VanDerWaalsContact C-N 3.31Å; A330-Q332 PolarHBondContact O-N 2.82Å
331D63.6Low64.7Low142 Ų14279 Ų7976%0.75944%0.436SS*.THydrogen-bonded Turntrans-81.3-9.6-179.9-65.4-30.4000113.5H329 K333H329-D331 VanDerWaalsContact C-N 3.25Å; H329-D331 PolarHBondContact O-N 3.11Å; D331-K333 PolarHBondContact O-N 2.77Å
332Q61.9Low62.7Low63 Ų6378.7 Ų78.729%0.29443%0.434SS..SBendtrans-76.7102.8178.7-57.3-176.5-31.100107.9H329 A330 F334H329-Q332 HydrophobicContact CB-CG 4.46Å; H329-Q332 PolarHBondContact ND1-OE1 3.24Å; H329-Q332 WeakPolarHBondContact O-CB 3.28Å; H329-Q332 PolarHBondContact O-N 2.85Å; H329-Q332 VanDerWaalsContact O-N 3.07Å; A330-Q332 VanDerWaalsContact C-N 3.31Å; A330-Q332 PolarHBondContact O-N 2.82Å; Q332-F334 HydrophobicContact CB-CD2 3.62Å; Q332-F334 HydrophobicContact CB-CE2 3.14Å; Q332-F334 HydrophobicContact CB-CZ 3.74Å; Q332-F334 HydrophobicContact CG-CE2 4.04Å; Q332-F334 HydrophobicContact CG-CZ 4.48Å; Q332-F334 WeakPolarHBondContact O-CD2 3.42Å; Q332-F334 PolarHBondContact O-N 2.77Å; Q332-F334 VanDerWaalsContact OE1-CE2 3.25Å
333K52.3Low60.2Low188 Ų18888.2 Ų88.282%0.81747%0.471SS*.  trans-62.274.9177.4-66-176.9-179.9-178.20111.1D331 H335D331-K333 PolarHBondContact O-N 2.77Å; K333-H335 VanDerWaalsContact C-N 3.35Å
334F51.8Low57.6Low66 Ų6692.3 Ų92.329%0.28950%0.5SS..  trans-94.22.1169.9-62.9-59.3000112.7H209 Q332 S336H209-F334 HydrophobicContact CB-CD1 4.26Å; H209-F334 HydrophobicContact CB-CE1 3.91Å; H209-F334 HydrophobicContact CB-CZ 4.1Å; H209-F334 AromaticContact CD2-CE2 3.5Å; H209-F334 AromaticContact CD2-CZ 3.42Å; H209-F334 VanDerWaalsContact CD2-CZ 3.42Å; H209-F334 WeakPolarHBondContact CD2-CZ 3.29Å; H209-F334 AromaticContact CE1-CE1 3.95Å; H209-F334 AromaticContact CE1-CE2 3.95Å; H209-F334 AromaticContact CE1-CZ 3.21Å; H209-F334 WeakPolarHBondContact CE1-CZ 3.31Å; H209-F334 AromaticContact CG-CE1 3.5Å; H209-F334 VanDerWaalsContact CG-CE1 3.5Å; H209-F334 AromaticContact CG-CE2 3.73Å; H209-F334 AromaticContact CG-CZ 3.24Å; H209-F334 AromaticContact ND1-CE1 3.37Å; H209-F334 WeakPolarHBondContact ND1-CE1 3.43Å; H209-F334 AromaticContact ND1-CE2 4Å; H209-F334 AromaticContact ND1-CZ 3.1Å; H209-F334 WeakPolarHBondContact ND1-CZ 3.48Å; H209-F334 AromaticContact NE2-CE2 3.66Å; H209-F334 AromaticContact NE2-CZ 3.42Å; H209-F334 WeakPolarHBondContact NE2-CZ 3.35Å; Q332-F334 HydrophobicContact CB-CD2 3.62Å; Q332-F334 HydrophobicContact CB-CE2 3.14Å; Q332-F334 HydrophobicContact CB-CZ 3.74Å; Q332-F334 HydrophobicContact CG-CE2 4.04Å; Q332-F334 HydrophobicContact CG-CZ 4.48Å; Q332-F334 WeakPolarHBondContact O-CD2 3.42Å; Q332-F334 PolarHBondContact O-N 2.77Å; Q332-F334 VanDerWaalsContact OE1-CE2 3.25Å; F334-S336 PolarHBondContact O-N 3.32Å
335H42.6Very low54.9Low145 Ų14596.3 Ų96.367%0.67152%0.521SS*.SBendtrans-67.5117.3168.1-66.1-64.5000108.7K333 T337K333-H335 VanDerWaalsContact C-N 3.35Å; H335-T337 PolarHBondContact O-N 2.85Å
336S38.3Very low52.6Low46 Ų4697.4 Ų97.432%0.32253%0.526SS..  trans-43.8114.9169.962.70000109.2F334 S338F334-S336 PolarHBondContact O-N 3.32Å; S336-S338 PolarHBondContact O-N 3.35Å
337T34.4Very low50.3Low142 Ų142104.1 Ų104.187%0.87155%0.55SS*.THydrogen-bonded Turntrans-70.941.4-179.547.50000112.6H335H335-T337 PolarHBondContact O-N 2.85Å
338S36.7Very low48.5Very low104 Ų104108.2 Ų108.273%0.72757%0.568SS**THydrogen-bonded Turntrans-142.613.7-178.177.10000114.3S336S336-S338 PolarHBondContact O-N 3.35Å
339C38.6Very low47.3Very low41 Ų41108.8 Ų108.828%0.27758%0.575SS.*  trans-144.885174.4-174.60000111.6N341 C342C339-N341 PolarHBondContact O-N 2.8Å; C339-C342 HydrophobicContact CB-CB 3.74Å; C339-C342 WeakPolarHBondContact CB-SG 3.39Å; C339-C342 PolarHBondContact O-N 3.35Å; C339-C342 VanDerWaalsContact O-N 3.12Å; C339-C342 WeakPolarHBondContact SG-CB 3.42Å; C339-C342 PolarHBondContact SG-N 3.12Å; C339-C342 CovalentContact SG-SG 2.04Å; C339-C342 PolarHBondContact SG-SG 2.85Å
340D35.7Very low47.2Very low165 Ų165110.8 Ų110.888%0.88259%0.589SS**THydrogen-bonded Turntrans-63.7-14.2171-68.7-33.6000112.6
341N36.5Very low48.1Very low137 Ų137107.7 Ų107.773%0.73356%0.562SS**THydrogen-bonded Turntrans-90.6-1.5174.8-77.7-15.8000114.7C339C339-N341 PolarHBondContact O-N 2.8Å
342C43Very low49.3Very low39 Ų39103.2 Ų103.226%0.26454%0.54SS..G310 helixtrans-92.9-0.7-174.9-69.40000113.6C339 S344 I345C339-C342 HydrophobicContact CB-CB 3.74Å; C339-C342 WeakPolarHBondContact CB-SG 3.39Å; C339-C342 PolarHBondContact O-N 3.35Å; C339-C342 VanDerWaalsContact O-N 3.12Å; C339-C342 WeakPolarHBondContact SG-CB 3.42Å; C339-C342 PolarHBondContact SG-N 3.12Å; C339-C342 CovalentContact SG-SG 2.04Å; C339-C342 PolarHBondContact SG-SG 2.85Å; C342-S344 PolarHBondContact O-N 2.86Å; C342-S344 VanDerWaalsContact O-N 3.11Å; C342-I345 PolarHBondContact O-N 2.93Å
343Y36.4Very low50.4Low216 Ų216105.7 Ų105.785%0.84756%0.556SS**G310 helixtrans-64.3-14.7177.2-130.4-89.7000113.1
344S34.1Very low52Low109 Ų10996.8 Ų96.876%0.76252%0.518SS*.G310 helixtrans-115.91.4-179.752.40000114.5C342C342-S344 PolarHBondContact O-N 2.86Å; C342-S344 VanDerWaalsContact O-N 3.11Å
345I32.9Very low54Low110 Ų11093.7 Ų93.756%0.56450%0.504SS*.  trans-120.7100.8176.2-54.6174.4000106.7C342 R347C342-I345 PolarHBondContact O-N 2.93Å; I345-R347 PolarHBondContact O-N 2.84Å
346Q41.1Very low56.4Low154 Ų15486.8 Ų86.872%0.7247%0.472SS*.  trans-51.598158.6-78.1177.6-22.600106.3N348Q346-N348 VanDerWaalsContact C-N 3.34Å; Q346-N348 PolarHBondContact O-N 2.76Å
347R42.3Very low59.2Low150 Ų15084.6 Ų84.657%0.56646%0.457SS*.  trans-55.6111.7163.3-80.9-174.4175.4169.50.4103.6I345 C349I345-R347 PolarHBondContact O-N 2.84Å; R347-C349 PolarHBondContact O-N 3.37Å
348N52.7Low61.9Low114 Ų11478.2 Ų78.261%0.6142%0.417SS*.  trans-67.963.1171.8-84.7-14.3000108.3Q346 T350Q346-N348 VanDerWaalsContact C-N 3.34Å; Q346-N348 PolarHBondContact O-N 2.76Å; N348-T350 VanDerWaalsContact C-N 3.3Å; N348-T350 PolarHBondContact O-N 2.93Å; N348-T350 PolarHBondContact O-OG1 3.33Å
349C62.5Low64.5Low48 Ų4873.7 Ų73.732%0.32438%0.384SS..  trans-64.598.6167.7-73.20000105.4D203 R347D203-C349 HydrophobicContact CB-CB 4.16Å; R347-C349 PolarHBondContact O-N 3.37Å
350T81.4Confident67.2Low71 Ų7171.7 Ų71.744%0.43637%0.371SS..  trans-109.5144.2179.146.70000107.5N348N348-T350 VanDerWaalsContact C-N 3.3Å; N348-T350 PolarHBondContact O-N 2.93Å; N348-T350 PolarHBondContact O-OG1 3.33Å
351L90.5Very high70Confident11 Ų1164.1 Ų64.16%0.05833%0.33CS..PPolyproline II helixtrans-64.3136.3172.4-68.9167.4000108.7F200 L298 D353 L357 Q358 L361F200-L351 HydrophobicContact CB-CD1 4.44Å; F200-L351 HydrophobicContact CD1-CD1 4.16Å; F200-L351 WeakPolarHBondContact O-CD1 3.32Å; L298-L351 HydrophobicContact CD2-CD2 3.99Å; L351-D353 PolarHBondContact O-N 3.09Å; L351-L357 HydrophobicContact CD1-CB 3.89Å; L351-L357 HydrophobicContact CD2-CB 3.88Å; L351-L357 HydrophobicContact CD2-CD1 3.98Å; L351-L357 HydrophobicContact CG-CB 4.49Å; L351-Q358 HydrophobicContact CB-CB 3.8Å; L351-Q358 HydrophobicContact CB-CG 4.34Å; L351-Q358 HydrophobicContact CD1-CB 4.4Å; L351-L361 HydrophobicContact CD1-CB 4.44Å; L351-L361 HydrophobicContact CD1-CD2 3.91Å
352P89.9Confident72.5Confident48 Ų4857.9 Ų57.931%0.31230%0.297SS..PPolyproline II helixtrans-56.9134.1177.5-25.834.6000111.8L298 G354 C355L298-P352 HydrophobicContact CB-CG 4.32Å; L298-P352 HydrophobicContact CD2-CG 4.38Å; P352-G354 PolarHBondContact O-N 3.42Å; P352-C355 HydrophobicContact CB-CB 4.39Å; P352-C355 WeakPolarHBondContact O-CB 3.28Å; P352-C355 PolarHBondContact O-N 2.76Å; P352-C355 PolarHBondContact O-SG 2.94Å
353D85.2Confident74.9Confident115 Ų11556.2 Ų56.262%0.61529%0.286SS*.THydrogen-bonded Turntrans-55.6129.1177-67.6-26000110.9K300 L351 C355K300-D353 VanDerWaalsContact CD-O 3.31Å; K300-D353 WeakPolarHBondContact CD-O 3.36Å; K300-D353 WeakPolarHBondContact CE-O 3.28Å; K300-D353 VanDerWaalsContact CG-O 3.25Å; K300-D353 WeakPolarHBondContact CG-O 3.17Å; L351-D353 PolarHBondContact O-N 3.09Å; D353-C355 VanDerWaalsContact C-N 3.31Å; D353-C355 PolarHBondContact O-N 3.22Å
354G86Confident77.6Confident2 Ų246 Ų462%0.02125%0.246CC..THydrogen-bonded Turntrans84.5-4.5179.300000115.2C303 P352C303-G354 WeakPolarHBondContact SG-CA 3.41Å; P352-G354 PolarHBondContact O-N 3.42Å
355C92.3Very high80.4Confident0 Ų041 Ų410%021%0.21CC..SBendtrans-69.6154.8168.580.60000111.2L297 H299 P352 D353 L357 Q358 R359L297-C355 WeakPolarHBondContact O-CB 3.43Å; H299-C355 VanDerWaalsContact O-CA 3.28Å; H299-C355 WeakPolarHBondContact O-CA 3.36Å; H299-C355 VanDerWaalsContact O-CB 3.31Å; H299-C355 WeakPolarHBondContact O-CB 3.38Å; P352-C355 HydrophobicContact CB-CB 4.39Å; P352-C355 WeakPolarHBondContact O-CB 3.28Å; P352-C355 PolarHBondContact O-N 2.76Å; P352-C355 PolarHBondContact O-SG 2.94Å; D353-C355 VanDerWaalsContact C-N 3.31Å; D353-C355 PolarHBondContact O-N 3.22Å; C355-L357 VanDerWaalsContact C-N 3.28Å; C355-L357 PolarHBondContact O-N 2.59Å; C355-Q358 PolarHBondContact O-N 3.43Å; C355-Q358 VanDerWaalsContact O-N 3.13Å; C355-Q358 VanDerWaalsContact SG-CB 3.59Å; C355-Q358 PolarHBondContact SG-N 2.78Å; C355-Q358 VanDerWaalsContact SG-N 3.42Å; C355-R359 PolarHBondContact O-N 2.76Å; C355-R359 VanDerWaalsContact O-N 3.11Å
356I94.6Very high83.1Confident0 Ų036.9 Ų36.90%019%0.189CC..Hα-helixtrans-60.5-36.9-175.1-172158000112.9F82 L297 R359 I360 I434 C466 I468F82-I356 HydrophobicContact CD1-CB 4.31Å; F82-I356 HydrophobicContact CD1-CD1 3.8Å; F82-I356 HydrophobicContact CD1-CG1 4.17Å; F82-I356 HydrophobicContact CE1-CB 3.8Å; F82-I356 HydrophobicContact CE1-CD1 4.1Å; F82-I356 HydrophobicContact CE1-CG1 4.17Å; F82-I356 HydrophobicContact CE2-CB 4.36Å; F82-I356 HydrophobicContact CG-CD1 4.25Å; F82-I356 HydrophobicContact CG-CG1 4.39Å; F82-I356 HydrophobicContact CZ-CB 3.81Å; F82-I356 HydrophobicContact CZ-CG1 4.38Å; L297-I356 HydrophobicContact CD2-CG2 4.04Å; I356-R359 PolarHBondContact O-N 3.04Å; I356-I360 HydrophobicContact CG1-CD1 3.93Å; I356-I360 WeakPolarHBondContact O-CG1 3.39Å; I356-I360 PolarHBondContact O-N 3.05Å; I356-I434 HydrophobicContact CD1-CG1 4.4Å; I356-I434 HydrophobicContact CD1-CG2 3.63Å; I356-I434 HydrophobicContact CG1-CG2 4.39Å; I356-C466 HydrophobicContact CD1-CB 3.78Å; I356-I468 HydrophobicContact CD1-CD1 4.3Å; I356-I468 HydrophobicContact CD1-CG1 3.72Å; I356-I468 HydrophobicContact CG1-CD1 4.13Å; I356-I468 HydrophobicContact CG1-CG1 4.06Å
357L95.8Very high85.4Confident0 Ų030.3 Ų30.30%016%0.159CC..Hα-helixtrans-65.8-41.8177.5-70177.3000111.5L199 F200 L207 L297 L351 C355 I360 L361 I434L199-L357 HydrophobicContact CD2-CD2 4.04Å; L199-L357 HydrophobicContact CG-CD1 4.37Å; L199-L357 HydrophobicContact CG-CD2 3.98Å; L199-L357 VanDerWaalsContact O-CD1 3.32Å; L199-L357 WeakPolarHBondContact O-CD1 3.48Å; F200-L357 HydrophobicContact CD1-CB 4.09Å; F200-L357 HydrophobicContact CD1-CD2 4.07Å; F200-L357 HydrophobicContact CE1-CB 4.22Å; F200-L357 HydrophobicContact CE1-CD2 3.77Å; F200-L357 WeakPolarHBondContact CE1-O 3.49Å; F200-L357 HydrophobicContact CZ-CD2 4.18Å; L207-L357 HydrophobicContact CD1-CD1 3.9Å; L297-L357 HydrophobicContact CB-CD1 3.81Å; L297-L357 HydrophobicContact CB-CG 4.23Å; L297-L357 HydrophobicContact CD2-CD1 4.27Å; L297-L357 HydrophobicContact CD2-CD2 4Å; L297-L357 HydrophobicContact CD2-CG 3.97Å; L297-L357 HydrophobicContact CG-CD1 4.44Å; L351-L357 HydrophobicContact CD1-CB 3.89Å; L351-L357 HydrophobicContact CD2-CB 3.88Å; L351-L357 HydrophobicContact CD2-CD1 3.98Å; L351-L357 HydrophobicContact CG-CB 4.49Å; C355-L357 VanDerWaalsContact C-N 3.28Å; C355-L357 PolarHBondContact O-N 2.59Å; L357-I360 PolarHBondContact O-N 3.49Å; L357-L361 VanDerWaalsContact O-CB 3.3Å; L357-L361 WeakPolarHBondContact O-CB 3.43Å; L357-L361 PolarHBondContact O-N 2.87Å; L357-I434 HydrophobicContact CD2-CD1 3.88Å
358Q92.6Very high87.5Confident9 Ų924.8 Ų24.84%0.04214%0.142CC..Hα-helixtrans-62.8-45.9178.6-176.1-86.2-31.800110.4L351 C355 I360 L361 S362L351-Q358 HydrophobicContact CB-CB 3.8Å; L351-Q358 HydrophobicContact CB-CG 4.34Å; L351-Q358 HydrophobicContact CD1-CB 4.4Å; C355-Q358 PolarHBondContact O-N 3.43Å; C355-Q358 VanDerWaalsContact O-N 3.13Å; C355-Q358 VanDerWaalsContact SG-CB 3.59Å; C355-Q358 PolarHBondContact SG-N 2.78Å; C355-Q358 VanDerWaalsContact SG-N 3.42Å; Q358-I360 PolarHBondContact O-N 3.12Å; Q358-L361 PolarHBondContact O-N 3.37Å; Q358-S362 PolarHBondContact NE2-OG 3.48Å; Q358-S362 PolarHBondContact O-N 3.21Å; Q358-S362 PolarHBondContact O-OG 2.97Å
359R90.9Very high89.2Confident8 Ų821.2 Ų21.23%0.0312%0.124CC..Hα-helixtrans-59-49.5176.4-66.8-52.3-167.6152.96.9112.3F78 F82 C303 D306 C355 I356 L361 S362 V363F78-R359 WeakPolarHBondContact O-CB 3.11Å; F82-R359 HydrophobicContact CD2-CG 4.19Å; F82-R359 HydrophobicContact CE2-CB 4.31Å; F82-R359 HydrophobicContact CE2-CG 3.67Å; C303-R359 VanDerWaalsContact CB-NH2 3.29Å; C303-R359 PolarHBondContact SG-NH2 3.43Å; D306-R359 IonicContact OD2-CZ 3.39Å; D306-R359 IonicContact OD2-NH2 3.67Å; D306-R359 PolarHBondContact OD2-NH2 2.79Å; C355-R359 PolarHBondContact O-N 2.76Å; C355-R359 VanDerWaalsContact O-N 3.11Å; I356-R359 PolarHBondContact O-N 3.04Å; R359-L361 PolarHBondContact O-N 3.16Å; R359-S362 PolarHBondContact O-N 3.4Å; R359-V363 WeakPolarHBondContact O-CG2 3.49Å; R359-V363 PolarHBondContact O-N 3.34Å
360I94.7Very high90.4Very high0 Ų019.2 Ų19.20%011%0.111CC..Hα-helixtrans-61.7-46.4179.2-69.5167.5000110.5F78 F200 I356 L357 Q358 S362 V363 Q364 I434 I468F78-I360 HydrophobicContact CD1-CG1 4.37Å; F200-I360 HydrophobicContact CE1-CB 4.14Å; F200-I360 HydrophobicContact CE1-CG2 3.96Å; F200-I360 HydrophobicContact CZ-CB 4.45Å; F200-I360 HydrophobicContact CZ-CG2 3.82Å; I356-I360 HydrophobicContact CG1-CD1 3.93Å; I356-I360 WeakPolarHBondContact O-CG1 3.39Å; I356-I360 PolarHBondContact O-N 3.05Å; L357-I360 PolarHBondContact O-N 3.49Å; Q358-I360 PolarHBondContact O-N 3.12Å; I360-S362 VanDerWaalsContact C-N 3.33Å; I360-S362 PolarHBondContact O-N 3.38Å; I360-V363 PolarHBondContact O-N 2.89Å; I360-V363 VanDerWaalsContact O-N 3.16Å; I360-Q364 HydrophobicContact CG2-CG 4.1Å; I360-Q364 VanDerWaalsContact O-CG 3.28Å; I360-Q364 WeakPolarHBondContact O-CG 3.46Å; I360-Q364 PolarHBondContact O-N 3Å; I360-I434 HydrophobicContact CD1-CD1 3.56Å; I360-I434 HydrophobicContact CD1-CG1 3.42Å; I360-I434 VanDerWaalsContact CD1-CG1 3.42Å; I360-I468 HydrophobicContact CD1-CD1 3.97Å; I360-I468 HydrophobicContact CD1-CG1 4.07Å; I360-I468 HydrophobicContact CG1-CD1 3.68Å; I360-I468 HydrophobicContact CG1-CG1 4.31Å
361L94Very high90.9Very high5 Ų515.9 Ų15.93%0.0269%0.09CC..Hα-helixtrans-60-43.3-179.4-175.162.2000111.5A155 F200 I314 L351 L357 Q358 R359 V363 Q364 L365A155-L361 HydrophobicContact CB-CD1 4.45Å; F200-L361 HydrophobicContact CB-CD1 4.34Å; F200-L361 HydrophobicContact CB-CD2 4.31Å; F200-L361 HydrophobicContact CD1-CB 3.76Å; F200-L361 HydrophobicContact CD1-CD1 4.24Å; F200-L361 HydrophobicContact CD1-CD2 4.49Å; F200-L361 HydrophobicContact CD1-CG 4.38Å; F200-L361 HydrophobicContact CE1-CB 4.08Å; F200-L361 HydrophobicContact CG-CD1 4.33Å; I314-L361 HydrophobicContact CD1-CD2 4.36Å; L351-L361 HydrophobicContact CD1-CB 4.44Å; L351-L361 HydrophobicContact CD1-CD2 3.91Å; L357-L361 VanDerWaalsContact O-CB 3.3Å; L357-L361 WeakPolarHBondContact O-CB 3.43Å; L357-L361 PolarHBondContact O-N 2.87Å; Q358-L361 PolarHBondContact O-N 3.37Å; R359-L361 PolarHBondContact O-N 3.16Å; L361-V363 VanDerWaalsContact C-N 3.3Å; L361-V363 PolarHBondContact O-N 2.64Å; L361-Q364 WeakPolarHBondContact O-CB 3.44Å; L361-Q364 PolarHBondContact O-N 2.89Å; L361-Q364 VanDerWaalsContact O-N 3.12Å; L361-L365 HydrophobicContact CD1-CD1 3.95Å; L361-L365 HydrophobicContact CD1-CG 4.08Å; L361-L365 HydrophobicContact CD2-CD1 4.36Å; L361-L365 HydrophobicContact CG-CD1 3.77Å; L361-L365 HydrophobicContact CG-CG 4.27Å; L361-L365 WeakPolarHBondContact O-CB 3.46Å; L361-L365 VanDerWaalsContact O-CG 3.29Å; L361-L365 WeakPolarHBondContact O-CG 3.46Å; L361-L365 PolarHBondContact O-N 2.89Å
362S90.6Very high90.9Very high7 Ų717 Ų175%0.04910%0.101CC..Hα-helixtrans-59.7-39.7176.7-660000112.6L311 Q358 R359 I360 L365 L366L311-S362 WeakPolarHBondContact CD2-OG 3.42Å; Q358-S362 PolarHBondContact NE2-OG 3.48Å; Q358-S362 PolarHBondContact O-N 3.21Å; Q358-S362 PolarHBondContact O-OG 2.97Å; R359-S362 PolarHBondContact O-N 3.4Å; I360-S362 VanDerWaalsContact C-N 3.33Å; I360-S362 PolarHBondContact O-N 3.38Å; S362-L365 PolarHBondContact O-N 2.82Å; S362-L366 PolarHBondContact O-N 3.28Å
363V92.3Very high91Very high4 Ų419.2 Ų19.22%0.02411%0.106CC..Hα-helixtrans-71.1-36.2174.7-173.50000111.5Q77 F78 R359 I360 L361 L365 L366 I425 S426 A429Q77-V363 HydrophobicContact CB-CG2 3.95Å; Q77-V363 WeakPolarHBondContact O-CG2 3.09Å; F78-V363 HydrophobicContact CD1-CB 4.41Å; F78-V363 HydrophobicContact CD1-CG2 4.03Å; F78-V363 HydrophobicContact CE1-CB 4.04Å; F78-V363 HydrophobicContact CE1-CG1 4.02Å; F78-V363 HydrophobicContact CE1-CG2 4.15Å; F78-V363 HydrophobicContact CE2-CG1 4.07Å; F78-V363 HydrophobicContact CG-CG2 4.26Å; F78-V363 HydrophobicContact CZ-CB 4.26Å; F78-V363 HydrophobicContact CZ-CG1 3.7Å; F78-V363 HydrophobicContact CZ-CG2 4.46Å; R359-V363 WeakPolarHBondContact O-CG2 3.49Å; R359-V363 PolarHBondContact O-N 3.34Å; I360-V363 PolarHBondContact O-N 2.89Å; I360-V363 VanDerWaalsContact O-N 3.16Å; L361-V363 VanDerWaalsContact C-N 3.3Å; L361-V363 PolarHBondContact O-N 2.64Å; V363-L365 PolarHBondContact O-N 2.94Å; V363-L366 HydrophobicContact CG1-CD1 4.05Å; V363-L366 WeakPolarHBondContact O-CG 3.49Å; V363-L366 PolarHBondContact O-N 3.06Å; V363-I425 HydrophobicContact CG1-CG2 3.66Å; V363-S426 WeakPolarHBondContact O-CA 3.2Å; V363-A429 HydrophobicContact CB-CB 3.81Å; V363-A429 HydrophobicContact CG1-CB 3.63Å
364Q94.1Very high91.4Very high0 Ų013.7 Ų13.70%08%0.076CC..Hα-helixtrans-63.1-30.5174.5-70.3-179.5-200112.8K152 F153 I360 L361 A429 R430K152-Q364 PolarHBondContact O-NE2 3.06Å; F153-Q364 HydrophobicContact CD2-CB 3.91Å; F153-Q364 HydrophobicContact CD2-CG 4.36Å; F153-Q364 HydrophobicContact CE2-CB 3.92Å; I360-Q364 HydrophobicContact CG2-CG 4.1Å; I360-Q364 VanDerWaalsContact O-CG 3.28Å; I360-Q364 WeakPolarHBondContact O-CG 3.46Å; I360-Q364 PolarHBondContact O-N 3Å; L361-Q364 WeakPolarHBondContact O-CB 3.44Å; L361-Q364 PolarHBondContact O-N 2.89Å; L361-Q364 VanDerWaalsContact O-N 3.12Å; Q364-A429 HydrophobicContact CB-CB 4.48Å; Q364-A429 HydrophobicContact CG-CB 3.62Å; Q364-A429 PolarHBondContact NE2-O 3.35Å; Q364-R430 HydrophobicContact CB-CG 4.37Å; Q364-R430 HydrophobicContact CG-CG 3.96Å; Q364-R430 PolarHBondContact O-NH2 3.12Å; Q364-R430 VanDerWaalsContact O-NH2 3.1Å
365L92.3Very high91.8Very high4 Ų415.2 Ų15.22%0.0218%0.083CC..THydrogen-bonded Turntrans-95.25-176.9-67.1177.3000114.4F153 A155 I312 F322 L361 S362 V363 I367 T368F153-L365 HydrophobicContact CE2-CD2 4.26Å; A155-L365 HydrophobicContact CB-CD2 3.78Å; I312-L365 WeakPolarHBondContact CD1-O 3.45Å; F322-L365 HydrophobicContact CB-CD2 4.45Å; F322-L365 HydrophobicContact CD1-CD1 4.07Å; F322-L365 HydrophobicContact CD1-CD2 3.92Å; F322-L365 HydrophobicContact CE1-CD1 3.66Å; F322-L365 HydrophobicContact CE1-CD2 4.37Å; F322-L365 HydrophobicContact CE2-CD1 4.34Å; F322-L365 HydrophobicContact CG-CD2 4.06Å; F322-L365 HydrophobicContact CZ-CD1 3.81Å; L361-L365 HydrophobicContact CD1-CD1 3.95Å; L361-L365 HydrophobicContact CD1-CG 4.08Å; L361-L365 HydrophobicContact CD2-CD1 4.36Å; L361-L365 HydrophobicContact CG-CD1 3.77Å; L361-L365 HydrophobicContact CG-CG 4.27Å; L361-L365 WeakPolarHBondContact O-CB 3.46Å; L361-L365 VanDerWaalsContact O-CG 3.29Å; L361-L365 WeakPolarHBondContact O-CG 3.46Å; L361-L365 PolarHBondContact O-N 2.89Å; S362-L365 PolarHBondContact O-N 2.82Å; V363-L365 PolarHBondContact O-N 2.94Å; L365-I367 PolarHBondContact O-N 3.08Å; L365-T368 HydrophobicContact CB-CG2 4.33Å; L365-T368 HydrophobicContact CD2-CG2 4.15Å; L365-T368 WeakPolarHBondContact O-CG2 3.3Å
366L89.8Confident91.9Very high24 Ų2418.4 Ų18.413%0.12610%0.103CC..SBendtrans-49.7-30.5170.4-70.2174000112.7V310 S362 V363 K422 I425V310-L366 HydrophobicContact CG1-CD2 4.12Å; S362-L366 PolarHBondContact O-N 3.28Å; V363-L366 HydrophobicContact CG1-CD1 4.05Å; V363-L366 WeakPolarHBondContact O-CG 3.49Å; V363-L366 PolarHBondContact O-N 3.06Å; L366-K422 HydrophobicContact CB-CB 4.26Å; L366-I425 HydrophobicContact CD1-CB 3.95Å; L366-I425 HydrophobicContact CD1-CG2 3.57Å
367I89.4Confident92Very high16 Ų1618.9 Ų18.98%0.08211%0.105CC..  trans-128.4118.8168.3-62.8-65000108.4L365 T369 I374 I419 K422 Y423 R430L365-I367 PolarHBondContact O-N 3.08Å; I367-T369 WeakPolarHBondContact CG2-OG1 3.32Å; I367-I374 HydrophobicContact CG2-CD1 3.6Å; I367-I374 HydrophobicContact CG2-CG1 4.22Å; I367-I419 HydrophobicContact CD1-CG2 4.4Å; I367-K422 HydrophobicContact CD1-CB 3.86Å; I367-K422 HydrophobicContact CD1-CD 4.41Å; I367-K422 HydrophobicContact CG1-CB 3.74Å; I367-Y423 HydrophobicContact CB-CD2 4.12Å; I367-Y423 HydrophobicContact CG1-CD2 4.46Å; I367-Y423 HydrophobicContact CG2-CD2 3.86Å; I367-R430 PolarHBondContact O-NH2 3.1Å
368T86.7Confident92.1Very high34 Ų3419 Ų1921%0.20911%0.106CC..  trans-98.8-3.6177.956.50000113P157 P321 L365P157-T368 VanDerWaalsContact CB-O 3.29Å; P157-T368 WeakPolarHBondContact CB-O 3.3Å; P321-T368 HydrophobicContact CB-CG2 4.23Å; P321-T368 HydrophobicContact CG-CG2 3.96Å; L365-T368 HydrophobicContact CB-CG2 4.33Å; L365-T368 HydrophobicContact CD2-CG2 4.15Å; L365-T368 WeakPolarHBondContact O-CG2 3.3Å
369T87.4Confident92.3Very high39 Ų3924.3 Ų24.324%0.23913%0.129CC..SBendtrans-89157.5176.752.80000111.8I367 F373I367-T369 WeakPolarHBondContact CG2-OG1 3.32Å; T369-F373 HydrophobicContact CG2-CD1 4.1Å; T369-F373 HydrophobicContact CG2-CE1 4.47Å; T369-F373 HydrophobicContact CG2-CG 4.43Å; T369-F373 WeakPolarHBondContact OG1-CD1 3.48Å
370D88.1Confident92.6Very high7 Ų727 Ų274%0.03714%0.139CC..  trans-71.9154.3179.3-172.3-111.5000112.9W159 K169 A372 F373 I374W159-D370 VanDerWaalsContact CD1-CB 3.47Å; W159-D370 HydrophobicContact CD2-CB 4.03Å; W159-D370 VanDerWaalsContact CE2-CB 3.43Å; W159-D370 HydrophobicContact CG-CB 3.96Å; W159-D370 HydrophobicContact CZ2-CB 3.89Å; K169-D370 WeakPolarHBondContact CE-OD2 3.35Å; K169-D370 IonicContact NZ-OD1 3.43Å; K169-D370 PolarHBondContact NZ-OD1 3.14Å; K169-D370 IonicContact NZ-OD2 2.61Å; K169-D370 PolarHBondContact NZ-OD2 3.17Å; D370-A372 PolarHBondContact O-N 3.14Å; D370-A372 VanDerWaalsContact O-N 3.08Å; D370-A372 VanDerWaalsContact OD1-CB 3.31Å; D370-A372 WeakPolarHBondContact OD1-CB 3.49Å; D370-A372 PolarHBondContact OD1-N 3.21Å; D370-F373 WeakPolarHBondContact O-CB 3.45Å; D370-F373 PolarHBondContact O-N 2.97Å; D370-I374 PolarHBondContact O-N 3.26Å
371I91.5Very high92.7Very high1 Ų127 Ų271%0.00514%0.139CC..Hα-helixtrans-55.4-29.1176.3-168163.4000113.5F373 I374 F375 Y423 L479 R482 L483 E486I371-F373 PolarHBondContact O-N 2.99Å; I371-I374 PolarHBondContact O-N 3.14Å; I371-I374 VanDerWaalsContact O-N 3.11Å; I371-F375 PolarHBondContact O-N 3.21Å; I371-Y423 WeakPolarHBondContact CB-OH 3.49Å; I371-Y423 HydrophobicContact CD1-CE1 3.91Å; I371-Y423 WeakPolarHBondContact CD1-OH 3.41Å; I371-Y423 HydrophobicContact CG1-CE1 4.11Å; I371-L479 WeakPolarHBondContact CD1-O 3.32Å; I371-R482 HydrophobicContact CD1-CB 3.46Å; I371-R482 VanDerWaalsContact CD1-CB 3.46Å; I371-R482 HydrophobicContact CD1-CG 3.43Å; I371-R482 VanDerWaalsContact CD1-CG 3.43Å; I371-L483 HydrophobicContact CD1-CB 4.1Å; I371-L483 HydrophobicContact CG1-CB 4.28Å; I371-L483 HydrophobicContact CG2-CB 4.43Å; I371-L483 HydrophobicContact CG2-CD1 3.8Å; I371-E486 WeakPolarHBondContact CG2-OE2 3.43Å
372A90.8Very high92.8Very high34 Ų3431.8 Ų31.828%0.28116%0.156SC..Hα-helixtrans-58.3-36.9173.700000112.5W159 D370 P376W159-A372 HydrophobicContact CH2-CB 4.09Å; W159-A372 HydrophobicContact CZ2-CB 4.06Å; D370-A372 PolarHBondContact O-N 3.14Å; D370-A372 VanDerWaalsContact O-N 3.08Å; D370-A372 VanDerWaalsContact OD1-CB 3.31Å; D370-A372 WeakPolarHBondContact OD1-CB 3.49Å; D370-A372 PolarHBondContact OD1-N 3.21Å; A372-P376 WeakPolarHBondContact O-CD 3.41Å
373F91.1Very high93Very high94 Ų9436.1 Ų36.141%0.41218%0.183SC..Hα-helixtrans-72.9-33175.2-179.8-93.5000112.4T369 D370 I371 P376 H377T369-F373 HydrophobicContact CG2-CD1 4.1Å; T369-F373 HydrophobicContact CG2-CE1 4.47Å; T369-F373 HydrophobicContact CG2-CG 4.43Å; T369-F373 WeakPolarHBondContact OG1-CD1 3.48Å; D370-F373 WeakPolarHBondContact O-CB 3.45Å; D370-F373 PolarHBondContact O-N 2.97Å; I371-F373 PolarHBondContact O-N 2.99Å; F373-P376 WeakPolarHBondContact O-CD 3.23Å; F373-H377 AromaticContact CE1-NE2 3.96Å; F373-H377 PolarHBondContact O-CD2 3.07Å
374I93.7Very high93.2Very high0 Ų037.2 Ų37.20%019%0.187CC..Hα-helixtrans-75.2-28.5-179.4-52.4-61000111.9I367 D370 I371 H377 Y378 I419 Y423 L479I367-I374 HydrophobicContact CG2-CD1 3.6Å; I367-I374 HydrophobicContact CG2-CG1 4.22Å; D370-I374 PolarHBondContact O-N 3.26Å; I371-I374 PolarHBondContact O-N 3.14Å; I371-I374 VanDerWaalsContact O-N 3.11Å; I374-H377 WeakPolarHBondContact O-CB 3.4Å; I374-H377 PolarHBondContact O-N 3.27Å; I374-Y378 PolarHBondContact O-N 3.13Å; I374-I419 HydrophobicContact CD1-CG2 3.42Å; I374-I419 VanDerWaalsContact CD1-CG2 3.42Å; I374-I419 HydrophobicContact CG2-CG2 4.27Å; I374-Y423 HydrophobicContact CB-CG 4.48Å; I374-Y423 HydrophobicContact CD1-CD2 4.31Å; I374-Y423 HydrophobicContact CG1-CD2 3.73Å; I374-Y423 HydrophobicContact CG1-CE2 4.09Å; I374-Y423 HydrophobicContact CG1-CG 4.12Å; I374-Y423 HydrophobicContact CG2-CD1 4.14Å; I374-Y423 HydrophobicContact CG2-CD2 4.38Å; I374-Y423 HydrophobicContact CG2-CG 3.9Å; I374-L479 HydrophobicContact CG2-CD2 3.85Å
375F94.4Very high93.3Very high34 Ų3437.5 Ų37.515%0.14919%0.189CC..Hα-helixtrans-60.5-38.6-171.2-161-115.2000114.8I371 Y378 K379 R480 L483I371-F375 PolarHBondContact O-N 3.21Å; F375-Y378 AromaticContact CD2-CD1 3.68Å; F375-Y378 HydrophobicContact CD2-CD1 3.68Å; F375-Y378 HydrophobicContact CD2-CE1 4.29Å; F375-Y378 HydrophobicContact CD2-CG 4.41Å; F375-Y378 AromaticContact CE2-CD1 3.53Å; F375-Y378 HydrophobicContact CE2-CD1 3.53Å; F375-Y378 AromaticContact CE2-CE1 3.66Å; F375-Y378 HydrophobicContact CE2-CE1 3.66Å; F375-Y378 HydrophobicContact CG-CD1 4.45Å; F375-Y378 HydrophobicContact CZ-CD1 4.22Å; F375-Y378 HydrophobicContact CZ-CE1 4.16Å; F375-Y378 WeakPolarHBondContact O-CB 3.49Å; F375-Y378 PolarHBondContact O-N 2.96Å; F375-K379 HydrophobicContact CD1-CD 4.47Å; F375-K379 HydrophobicContact CE1-CD 4.4Å; F375-K379 WeakPolarHBondContact O-CG 3.39Å; F375-K379 PolarHBondContact O-N 3.21Å; F375-R480 HydrophobicContact CE2-CB 4.35Å; F375-R480 HydrophobicContact CE2-CG 4.44Å; F375-R480 HydrophobicContact CZ-CG 4.48Å; F375-L483 HydrophobicContact CB-CD2 4.14Å; F375-L483 HydrophobicContact CD1-CD2 3.69Å; F375-L483 HydrophobicContact CD2-CD2 3.69Å; F375-L483 HydrophobicContact CE1-CD2 3.88Å; F375-L483 HydrophobicContact CE2-CD2 3.91Å; F375-L483 HydrophobicContact CG-CD2 3.58Å; F375-L483 HydrophobicContact CZ-CD2 4Å
376P95.6Very high93.4Very high66 Ų6642 Ų4243%0.42922%0.217SC..Hα-helixtrans-59.5-39.9169.8-26.735.7000114.5A372 F373 K379 R380A372-P376 WeakPolarHBondContact O-CD 3.41Å; F373-P376 WeakPolarHBondContact O-CD 3.23Å; P376-K379 PolarHBondContact O-N 2.89Å; P376-R380 PolarHBondContact O-N 3.03Å; P376-R380 VanDerWaalsContact O-N 3.15Å
377H97Very high93.7Very high10 Ų1045.1 Ų45.15%0.04624%0.24CC..Hα-helixtrans-65.8-43.3174.7-63.4-93.6000110.9F373 I374 K379 R380 V381 S416 I419 V420F373-H377 AromaticContact CE1-NE2 3.96Å; F373-H377 PolarHBondContact O-CD2 3.07Å; I374-H377 WeakPolarHBondContact O-CB 3.4Å; I374-H377 PolarHBondContact O-N 3.27Å; H377-K379 VanDerWaalsContact C-N 3.31Å; H377-K379 PolarHBondContact O-N 3.36Å; H377-R380 PolarHBondContact CE1-NH2 3.18Å; H377-R380 VanDerWaalsContact CG-NH2 3.28Å; H377-R380 PolarHBondContact ND1-NH2 2.75Å; H377-R380 PolarHBondContact NE2-NH2 3.24Å; H377-R380 PolarHBondContact O-N 3.21Å; H377-V381 WeakPolarHBondContact O-CG2 3.39Å; H377-V381 PolarHBondContact O-N 3.35Å; H377-S416 WeakPolarHBondContact ND1-CA 3.44Å; H377-S416 PolarHBondContact ND1-OG 3.11Å; H377-S416 VanDerWaalsContact ND1-OG 3.16Å; H377-I419 HydrophobicContact CB-CG2 4.26Å; H377-I419 WeakPolarHBondContact CE1-CD1 3.24Å; H377-V420 HydrophobicContact CB-CG2 3.98Å
378Y96.8Very high93.8Very high4 Ų448.1 Ų48.12%0.01625%0.254CS..Hα-helixtrans-54.3-45.7172.9159.5-98.7000112.3I374 F375 V381 R382 L476 L479I374-Y378 PolarHBondContact O-N 3.13Å; F375-Y378 AromaticContact CD2-CD1 3.68Å; F375-Y378 HydrophobicContact CD2-CD1 3.68Å; F375-Y378 HydrophobicContact CD2-CE1 4.29Å; F375-Y378 HydrophobicContact CD2-CG 4.41Å; F375-Y378 AromaticContact CE2-CD1 3.53Å; F375-Y378 HydrophobicContact CE2-CD1 3.53Å; F375-Y378 AromaticContact CE2-CE1 3.66Å; F375-Y378 HydrophobicContact CE2-CE1 3.66Å; F375-Y378 HydrophobicContact CG-CD1 4.45Å; F375-Y378 HydrophobicContact CZ-CD1 4.22Å; F375-Y378 HydrophobicContact CZ-CE1 4.16Å; F375-Y378 WeakPolarHBondContact O-CB 3.49Å; F375-Y378 PolarHBondContact O-N 2.96Å; Y378-V381 PolarHBondContact O-N 2.79Å; Y378-R382 WeakPolarHBondContact O-CB 3.43Å; Y378-R382 PolarHBondContact O-N 3.28Å; Y378-R382 WeakPolarHBondContact OH-CD 3.36Å; Y378-R382 PolarHBondContact OH-NH1 2.88Å; Y378-L476 HydrophobicContact CD2-CD1 3.75Å; Y378-L476 HydrophobicContact CD2-CG 4.1Å; Y378-L476 HydrophobicContact CE2-CD1 4.06Å; Y378-L476 HydrophobicContact CE2-CG 3.88Å; Y378-L476 WeakPolarHBondContact CE2-O 3.08Å; Y378-L479 HydrophobicContact CD2-CB 3.9Å; Y378-L479 HydrophobicContact CD2-CD2 4.03Å; Y378-L479 HydrophobicContact CD2-CG 4.47Å; Y378-L479 HydrophobicContact CE2-CB 4.27Å; Y378-L479 HydrophobicContact CG-CB 4.2Å; Y378-L479 HydrophobicContact CG-CD2 4.15Å
379K97Very high94.1Very high119 Ų11949.6 Ų49.652%0.51728%0.276SS..Hα-helixtrans-60.8-46177.4-73.2-178.9-178.3179.70111.6F375 P376 H377 R382 T383F375-K379 HydrophobicContact CD1-CD 4.47Å; F375-K379 HydrophobicContact CE1-CD 4.4Å; F375-K379 WeakPolarHBondContact O-CG 3.39Å; F375-K379 PolarHBondContact O-N 3.21Å; P376-K379 PolarHBondContact O-N 2.89Å; H377-K379 VanDerWaalsContact C-N 3.31Å; H377-K379 PolarHBondContact O-N 3.36Å; K379-R382 PolarHBondContact O-N 2.95Å; K379-T383 WeakPolarHBondContact O-CB 3.43Å; K379-T383 PolarHBondContact O-N 3.41Å; K379-T383 PolarHBondContact O-OG1 3.05Å; K379-T383 VanDerWaalsContact O-OG1 3.05Å
380R97Very high94.3Very high65 Ų6550.3 Ų50.325%0.24527%0.274CS..Hα-helixtrans-59.5-49.6177.2-77.2-179.7-76.8170.1-1.2111.9P376 H377 R382 T383 F384 E412 I413 S416P376-R380 PolarHBondContact O-N 3.03Å; P376-R380 VanDerWaalsContact O-N 3.15Å; H377-R380 PolarHBondContact CE1-NH2 3.18Å; H377-R380 VanDerWaalsContact CG-NH2 3.28Å; H377-R380 PolarHBondContact ND1-NH2 2.75Å; H377-R380 PolarHBondContact NE2-NH2 3.24Å; H377-R380 PolarHBondContact O-N 3.21Å; R380-R382 PolarHBondContact O-N 3.27Å; R380-T383 PolarHBondContact O-N 2.83Å; R380-F384 WeakPolarHBondContact O-CB 3.32Å; R380-F384 PolarHBondContact O-N 2.9Å; R380-E412 WeakPolarHBondContact CD-OE1 3.46Å; R380-E412 IonicContact CZ-OE1 3.96Å; R380-E412 IonicContact NE-OE1 2.73Å; R380-E412 VanDerWaalsContact NH1-CD 3.31Å; R380-E412 IonicContact NH1-OE1 3.59Å; R380-E412 PolarHBondContact NH1-OE1 3.46Å; R380-I413 HydrophobicContact CB-CD1 4.43Å; R380-S416 PolarHBondContact NE-OG 3.09Å; R380-S416 PolarHBondContact NH1-OG 3.36Å; R380-S416 PolarHBondContact NH2-OG 2.96Å
381V96.8Very high94.3Very high0 Ų053.2 Ų53.20%029%0.292CS..Hα-helixtrans-58.1-47176.6167.20000111.2H377 Y378 T383 F384 L385 W392 S416 F417 V420 L476H377-V381 WeakPolarHBondContact O-CG2 3.39Å; H377-V381 PolarHBondContact O-N 3.35Å; Y378-V381 PolarHBondContact O-N 2.79Å; V381-T383 PolarHBondContact O-N 2.72Å; V381-F384 PolarHBondContact O-N 2.69Å; V381-L385 HydrophobicContact CG1-CD1 3.77Å; V381-L385 HydrophobicContact CG1-CG 4.33Å; V381-L385 VanDerWaalsContact O-CG 3.29Å; V381-L385 WeakPolarHBondContact O-CG 3.34Å; V381-L385 PolarHBondContact O-N 3.18Å; V381-W392 HydrophobicContact CG1-CE3 4.22Å; V381-W392 HydrophobicContact CG1-CZ3 3.89Å; V381-S416 WeakPolarHBondContact CG2-O 3.23Å; V381-F417 HydrophobicContact CB-CE1 4.48Å; V381-F417 HydrophobicContact CG1-CD1 4.01Å; V381-F417 HydrophobicContact CG1-CE1 3.63Å; V381-F417 HydrophobicContact CG1-CZ 3.99Å; V381-F417 HydrophobicContact CG2-CD1 4.07Å; V381-F417 HydrophobicContact CG2-CD2 4.1Å; V381-F417 HydrophobicContact CG2-CE1 4.31Å; V381-F417 HydrophobicContact CG2-CE2 4.32Å; V381-F417 HydrophobicContact CG2-CG 3.97Å; V381-F417 HydrophobicContact CG2-CZ 4.42Å; V381-V420 HydrophobicContact CB-CG2 4.4Å; V381-V420 HydrophobicContact CG2-CB 4.24Å; V381-V420 HydrophobicContact CG2-CG2 3.91Å; V381-L476 HydrophobicContact CG1-CD1 4.44Å; V381-L476 HydrophobicContact CG1-CD2 4.21Å
382R95.9Very high94.2Very high105 Ų10553.8 Ų53.840%0.39629%0.294SS..Hα-helixtrans-62.7-44.1179.7-179176.8168.3-177.2-3.5112.2Y378 K379 R380 L385 T386Y378-R382 WeakPolarHBondContact O-CB 3.43Å; Y378-R382 PolarHBondContact O-N 3.28Å; Y378-R382 WeakPolarHBondContact OH-CD 3.36Å; Y378-R382 PolarHBondContact OH-NH1 2.88Å; K379-R382 PolarHBondContact O-N 2.95Å; R380-R382 PolarHBondContact O-N 3.27Å; R382-L385 PolarHBondContact O-N 3.04Å; R382-T386 WeakPolarHBondContact O-CB 3.3Å; R382-T386 PolarHBondContact O-N 3.49Å; R382-T386 PolarHBondContact O-OG1 3.17Å
383T96.3Very high93.8Very high99 Ų9953.9 Ų53.961%0.60729%0.289SS*.Hα-helixtrans-60.4-46.9176.4-630000110.7K379 R380 V381 T386 S387K379-T383 WeakPolarHBondContact O-CB 3.43Å; K379-T383 PolarHBondContact O-N 3.41Å; K379-T383 PolarHBondContact O-OG1 3.05Å; K379-T383 VanDerWaalsContact O-OG1 3.05Å; R380-T383 PolarHBondContact O-N 2.83Å; V381-T383 PolarHBondContact O-N 2.72Å; T383-T386 PolarHBondContact O-N 3.4Å; T383-S387 PolarHBondContact O-N 3.38Å
384F96.5Very high93.5Very high27 Ų2753.1 Ų53.112%0.11829%0.287CS..Hα-helixtrans-59.6-48.6177.4179.7-81.4000112.3R380 V381 T386 S387 H388 W390 W395 I413 F417R380-F384 WeakPolarHBondContact O-CB 3.32Å; R380-F384 PolarHBondContact O-N 2.9Å; V381-F384 PolarHBondContact O-N 2.69Å; F384-T386 VanDerWaalsContact C-N 3.3Å; F384-T386 PolarHBondContact O-N 2.96Å; F384-S387 PolarHBondContact O-N 3.1Å; F384-S387 PolarHBondContact O-OG 2.91Å; F384-H388 AromaticContact CD1-ND1 3.84Å; F384-H388 AromaticContact CD2-CE1 3.79Å; F384-H388 AromaticContact CE1-CE1 3.85Å; F384-H388 AromaticContact CE1-ND1 3.76Å; F384-H388 AromaticContact CE2-CE1 3.43Å; F384-H388 VanDerWaalsContact CE2-CE1 3.43Å; F384-H388 WeakPolarHBondContact CE2-CE1 3.35Å; F384-H388 AromaticContact CZ-CE1 3.46Å; F384-H388 VanDerWaalsContact CZ-CE1 3.46Å; F384-H388 WeakPolarHBondContact CZ-CE1 3.21Å; F384-H388 AromaticContact CZ-ND1 3.86Å; F384-H388 AromaticContact CZ-NE2 3.97Å; F384-H388 PolarHBondContact O-N 3.28Å; F384-H388 PolarHBondContact O-ND1 3.2Å; F384-W390 HydrophobicContact CE1-CE3 4.35Å; F384-W390 AromaticContact CE1-CZ3 4Å; F384-W390 HydrophobicContact CE1-CZ3 4Å; F384-W395 HydrophobicContact CE1-CZ3 4.17Å; F384-I413 HydrophobicContact CB-CD1 3.96Å; F384-I413 HydrophobicContact CD2-CD1 4.04Å; F384-I413 HydrophobicContact CD2-CG1 3.75Å; F384-I413 HydrophobicContact CE2-CG1 4.17Å; F384-I413 HydrophobicContact CG-CD1 4.16Å; F384-I413 HydrophobicContact CG-CG1 4.2Å; F384-F417 HydrophobicContact CB-CE2 4.38Å; F384-F417 AromaticContact CD1-CE2 3.59Å; F384-F417 HydrophobicContact CD1-CE2 3.59Å; F384-F417 AromaticContact CD1-CZ 3.49Å; F384-F417 HydrophobicContact CD1-CZ 3.49Å; F384-F417 VanDerWaalsContact CD1-CZ 3.49Å; F384-F417 AromaticContact CE1-CE2 3.95Å; F384-F417 HydrophobicContact CE1-CE2 3.95Å; F384-F417 AromaticContact CE1-CZ 3.93Å; F384-F417 HydrophobicContact CE1-CZ 3.93Å; F384-F417 AromaticContact CG-CE2 3.94Å; F384-F417 HydrophobicContact CG-CE2 3.94Å; F384-F417 HydrophobicContact CG-CZ 4.19Å
385L95.3Very high93.2Very high5 Ų553.4 Ų53.43%0.02629%0.288CS..Hα-helixtrans-63.2-41.2179.9-69.3172.3000111.4V381 R382 S387 H388 G389 W390 W392 W395 F417 L476V381-L385 HydrophobicContact CG1-CD1 3.77Å; V381-L385 HydrophobicContact CG1-CG 4.33Å; V381-L385 VanDerWaalsContact O-CG 3.29Å; V381-L385 WeakPolarHBondContact O-CG 3.34Å; V381-L385 PolarHBondContact O-N 3.18Å; R382-L385 PolarHBondContact O-N 3.04Å; L385-S387 PolarHBondContact O-N 3.07Å; L385-H388 PolarHBondContact O-N 2.91Å; L385-G389 PolarHBondContact O-N 2.76Å; L385-G389 VanDerWaalsContact O-N 3.13Å; L385-W390 HydrophobicContact CD2-CB 4.04Å; L385-W390 HydrophobicContact CD2-CE3 4.37Å; L385-W390 PolarHBondContact O-N 3.43Å; L385-W392 HydrophobicContact CD1-CE3 3.91Å; L385-W395 HydrophobicContact CD2-CB 3.9Å; L385-W395 HydrophobicContact CD2-CD2 4.48Å; L385-W395 HydrophobicContact CD2-CE3 4.3Å; L385-W395 HydrophobicContact CD2-CG 4.33Å; L385-F417 HydrophobicContact CD1-CE1 4.39Å; L385-F417 HydrophobicContact CD2-CE1 4.05Å; L385-F417 HydrophobicContact CD2-CZ 3.95Å; L385-F417 HydrophobicContact CG-CE1 4.24Å; L385-F417 HydrophobicContact CG-CZ 4.07Å; L385-L476 HydrophobicContact CD1-CD2 3.76Å
386T94.7Very high92.7Very high99 Ų9952.7 Ų52.761%0.60729%0.286SS*.Hα-helixtrans-63.1-42.5177.8-54.90000111.3R382 T383 F384 H388 G389R382-T386 WeakPolarHBondContact O-CB 3.3Å; R382-T386 PolarHBondContact O-N 3.49Å; R382-T386 PolarHBondContact O-OG1 3.17Å; T383-T386 PolarHBondContact O-N 3.4Å; F384-T386 VanDerWaalsContact C-N 3.3Å; F384-T386 PolarHBondContact O-N 2.96Å; T386-H388 PolarHBondContact O-N 2.9Å; T386-G389 PolarHBondContact O-N 3.03Å; T386-G389 VanDerWaalsContact O-N 3.13Å
387S94.7Very high91.9Very high89 Ų8952.7 Ų52.762%0.62228%0.279SS*.Hα-helixtrans-66.2-22.9179.371.90000113.4T383 F384 L385T383-S387 PolarHBondContact O-N 3.38Å; F384-S387 PolarHBondContact O-N 3.1Å; F384-S387 PolarHBondContact O-OG 2.91Å; L385-S387 PolarHBondContact O-N 3.07Å
388H92.9Very high91.3Very high80 Ų8053.6 Ų53.637%0.3728%0.284SS..THydrogen-bonded Turntrans-97.70.4176.6-66.482.3000113.5F384 L385 T386 W390F384-H388 AromaticContact CD1-ND1 3.84Å; F384-H388 AromaticContact CD2-CE1 3.79Å; F384-H388 AromaticContact CE1-CE1 3.85Å; F384-H388 AromaticContact CE1-ND1 3.76Å; F384-H388 AromaticContact CE2-CE1 3.43Å; F384-H388 VanDerWaalsContact CE2-CE1 3.43Å; F384-H388 WeakPolarHBondContact CE2-CE1 3.35Å; F384-H388 AromaticContact CZ-CE1 3.46Å; F384-H388 VanDerWaalsContact CZ-CE1 3.46Å; F384-H388 WeakPolarHBondContact CZ-CE1 3.21Å; F384-H388 AromaticContact CZ-ND1 3.86Å; F384-H388 AromaticContact CZ-NE2 3.97Å; F384-H388 PolarHBondContact O-N 3.28Å; F384-H388 PolarHBondContact O-ND1 3.2Å; L385-H388 PolarHBondContact O-N 2.91Å; T386-H388 PolarHBondContact O-N 2.9Å; H388-W390 VanDerWaalsContact C-N 3.25Å; H388-W390 HydrophobicContact CB-CD2 3.62Å; H388-W390 HydrophobicContact CB-CE3 3.71Å; H388-W390 HydrophobicContact CB-CG 4.04Å; H388-W390 HydrophobicContact CB-CH2 4.25Å; H388-W390 HydrophobicContact CB-CZ2 4.19Å; H388-W390 HydrophobicContact CB-CZ3 4.03Å; H388-W390 AromaticContact CD2-CH2 3.96Å; H388-W390 VanDerWaalsContact O-CD1 3.24Å; H388-W390 PolarHBondContact O-N 2.78Å; H388-W390 PolarHBondContact O-NE1 2.78Å
389G93Very high90.7Very high64 Ų6454.1 Ų54.166%0.6629%0.289SS*.THydrogen-bonded Turntrans65.228.1-175.700000113.5L385 T386L385-G389 PolarHBondContact O-N 2.76Å; L385-G389 VanDerWaalsContact O-N 3.13Å; T386-G389 PolarHBondContact O-N 3.03Å; T386-G389 VanDerWaalsContact O-N 3.13Å
390W91.1Very high89.7Confident54 Ų5452.8 Ų52.821%0.20529%0.285CS..  trans-105.4149.9-177.3-64.7-15.9000112.4F384 L385 H388 M394 W395 L398 Y407F384-W390 HydrophobicContact CE1-CE3 4.35Å; F384-W390 AromaticContact CE1-CZ3 4Å; F384-W390 HydrophobicContact CE1-CZ3 4Å; L385-W390 HydrophobicContact CD2-CB 4.04Å; L385-W390 HydrophobicContact CD2-CE3 4.37Å; L385-W390 PolarHBondContact O-N 3.43Å; H388-W390 VanDerWaalsContact C-N 3.25Å; H388-W390 HydrophobicContact CB-CD2 3.62Å; H388-W390 HydrophobicContact CB-CE3 3.71Å; H388-W390 HydrophobicContact CB-CG 4.04Å; H388-W390 HydrophobicContact CB-CH2 4.25Å; H388-W390 HydrophobicContact CB-CZ2 4.19Å; H388-W390 HydrophobicContact CB-CZ3 4.03Å; H388-W390 AromaticContact CD2-CH2 3.96Å; H388-W390 VanDerWaalsContact O-CD1 3.24Å; H388-W390 PolarHBondContact O-N 2.78Å; H388-W390 PolarHBondContact O-NE1 2.78Å; W390-M394 HydrophobicContact CB-CB 4.47Å; W390-M394 HydrophobicContact CG-CE 4.34Å; W390-W395 HydrophobicContact CE3-CE3 4.28Å; W390-W395 HydrophobicContact CZ3-CE3 4.31Å; W390-W395 HydrophobicContact CZ3-CZ3 4.24Å; W390-L398 HydrophobicContact CE3-CD1 4.45Å; W390-L398 HydrophobicContact CH2-CD1 4.35Å; W390-L398 HydrophobicContact CZ2-CD1 4.45Å; W390-L398 HydrophobicContact CZ3-CD1 4.34Å; W390-Y407 AromaticContact CH2-CD1 3.61Å; W390-Y407 HydrophobicContact CH2-CD1 3.61Å; W390-Y407 AromaticContact CH2-CD2 3.84Å; W390-Y407 HydrophobicContact CH2-CD2 3.84Å; W390-Y407 AromaticContact CH2-CE1 3.59Å; W390-Y407 HydrophobicContact CH2-CE1 3.59Å; W390-Y407 AromaticContact CH2-CE2 3.81Å; W390-Y407 HydrophobicContact CH2-CE2 3.81Å; W390-Y407 AromaticContact CH2-CG 3.74Å; W390-Y407 HydrophobicContact CH2-CG 3.74Å; W390-Y407 AromaticContact CH2-CZ 3.7Å; W390-Y407 HydrophobicContact CZ2-CE1 4.15Å; W390-Y407 HydrophobicContact CZ2-CE2 4.48Å; W390-Y407 HydrophobicContact CZ3-CD1 4.38Å; W390-Y407 HydrophobicContact CZ3-CD2 4.18Å; W390-Y407 HydrophobicContact CZ3-CE2 4.49Å; W390-Y407 HydrophobicContact CZ3-CG 4.12Å
391T89.1Confident89Confident68 Ų6856.9 Ų56.942%0.41730%0.304SS..  trans-94.7163.9166.159.70000110.2E393 M394 W395T391-E393 WeakPolarHBondContact CB-OE2 3.26Å; T391-E393 PolarHBondContact O-N 2.85Å; T391-M394 HydrophobicContact CG2-SD 4.29Å; T391-M394 WeakPolarHBondContact O-CB 3.45Å; T391-M394 PolarHBondContact O-N 2.96Å; T391-M394 WeakPolarHBondContact OG1-CG 3.23Å; T391-M394 PolarHBondContact OG1-N 2.68Å; T391-M394 PolarHBondContact OG1-SD 2.86Å; T391-W395 PolarHBondContact O-N 2.82Å
392W88.7Confident88.4Confident14 Ų1459.4 Ų59.45%0.05333%0.331CS..Hα-helixtrans-59.2-37.7172.9-178.9-110.6000111.6V381 L385 M394 W395 L396 F417 V420 E421 L424 L476V381-W392 HydrophobicContact CG1-CE3 4.22Å; V381-W392 HydrophobicContact CG1-CZ3 3.89Å; L385-W392 HydrophobicContact CD1-CE3 3.91Å; W392-M394 VanDerWaalsContact C-N 3.33Å; W392-M394 PolarHBondContact O-N 2.82Å; W392-W395 AromaticContact CZ3-CD1 3.77Å; W392-W395 HydrophobicContact CZ3-CG 4.48Å; W392-W395 WeakPolarHBondContact O-CB 3.48Å; W392-W395 PolarHBondContact O-N 2.98Å; W392-L396 HydrophobicContact CZ2-CD2 4Å; W392-L396 WeakPolarHBondContact O-CG 3.23Å; W392-L396 PolarHBondContact O-N 2.75Å; W392-F417 HydrophobicContact CH2-CD1 4.41Å; W392-F417 AromaticContact CZ3-CD1 3.8Å; W392-F417 HydrophobicContact CZ3-CD1 3.8Å; W392-F417 AromaticContact CZ3-CE1 3.93Å; W392-F417 HydrophobicContact CZ3-CE1 3.93Å; W392-V420 HydrophobicContact CH2-CG1 4.12Å; W392-V420 HydrophobicContact CZ3-CG1 4.29Å; W392-E421 HydrophobicContact CH2-CB 4.07Å; W392-E421 HydrophobicContact CZ2-CB 4.18Å; W392-L424 HydrophobicContact CD2-CD1 4.36Å; W392-L424 HydrophobicContact CH2-CD1 4.32Å; W392-L424 HydrophobicContact CZ2-CD1 3.51Å; W392-L476 HydrophobicContact CB-CB 3.79Å; W392-L476 HydrophobicContact CB-CD2 4.23Å; W392-L476 HydrophobicContact CD2-CB 4.3Å; W392-L476 HydrophobicContact CD2-CD1 4.46Å; W392-L476 HydrophobicContact CE3-CD1 4.28Å; W392-L476 HydrophobicContact CE3-CD2 4.19Å; W392-L476 HydrophobicContact CG-CB 3.87Å
393E81.7Confident87.9Confident36 Ų3657.5 Ų57.517%0.16833%0.327CS..Hα-helixtrans-66.6-35.1178.3-63.571.7-158.500111.9T63 T391 K397T63-E393 HydrophobicContact CG2-CB 4.46Å; T391-E393 WeakPolarHBondContact CB-OE2 3.26Å; T391-E393 PolarHBondContact O-N 2.85Å; E393-K397 WeakPolarHBondContact O-CG 3.37Å; E393-K397 PolarHBondContact O-N 3.48Å
394M85.2Confident87.5Confident77 Ų7754.1 Ų54.138%0.37931%0.306SS..Hα-helixtrans-67.2-40.4171.8-71.8165.872.900111.7W390 T391 W392 K397 L398W390-M394 HydrophobicContact CB-CB 4.47Å; W390-M394 HydrophobicContact CG-CE 4.34Å; T391-M394 HydrophobicContact CG2-SD 4.29Å; T391-M394 WeakPolarHBondContact O-CB 3.45Å; T391-M394 PolarHBondContact O-N 2.96Å; T391-M394 WeakPolarHBondContact OG1-CG 3.23Å; T391-M394 PolarHBondContact OG1-N 2.68Å; T391-M394 PolarHBondContact OG1-SD 2.86Å; W392-M394 VanDerWaalsContact C-N 3.33Å; W392-M394 PolarHBondContact O-N 2.82Å; M394-K397 WeakPolarHBondContact O-CB 3.38Å; M394-K397 PolarHBondContact O-N 3.11Å; M394-L398 PolarHBondContact O-N 2.81Å
395W88.3Confident87Confident6 Ų657.2 Ų57.22%0.02333%0.33CS..Hα-helixtrans-59.6-48175176.5-99.7000112.2F384 L385 W390 T391 W392 K397 L398 A399 V404 L408 F417F384-W395 HydrophobicContact CE1-CZ3 4.17Å; L385-W395 HydrophobicContact CD2-CB 3.9Å; L385-W395 HydrophobicContact CD2-CD2 4.48Å; L385-W395 HydrophobicContact CD2-CE3 4.3Å; L385-W395 HydrophobicContact CD2-CG 4.33Å; W390-W395 HydrophobicContact CE3-CE3 4.28Å; W390-W395 HydrophobicContact CZ3-CE3 4.31Å; W390-W395 HydrophobicContact CZ3-CZ3 4.24Å; T391-W395 PolarHBondContact O-N 2.82Å; W392-W395 AromaticContact CZ3-CD1 3.77Å; W392-W395 HydrophobicContact CZ3-CG 4.48Å; W392-W395 WeakPolarHBondContact O-CB 3.48Å; W392-W395 PolarHBondContact O-N 2.98Å; W395-K397 PolarHBondContact O-N 3.22Å; W395-L398 WeakPolarHBondContact O-CB 3.38Å; W395-L398 PolarHBondContact O-N 3.13Å; W395-A399 PolarHBondContact O-N 3.42Å; W395-V404 HydrophobicContact CD2-CG1 4.13Å; W395-V404 HydrophobicContact CE3-CG1 4.19Å; W395-V404 HydrophobicContact CH2-CB 3.64Å; W395-V404 HydrophobicContact CH2-CG1 3.58Å; W395-V404 HydrophobicContact CZ2-CB 3.74Å; W395-V404 HydrophobicContact CZ2-CG1 3.51Å; W395-V404 HydrophobicContact CZ3-CB 4.33Å; W395-V404 HydrophobicContact CZ3-CG1 3.93Å; W395-L408 HydrophobicContact CH2-CD1 4.05Å; W395-L408 HydrophobicContact CH2-CD2 3.58Å; W395-L408 HydrophobicContact CH2-CG 3.78Å; W395-L408 HydrophobicContact CZ2-CD1 4.09Å; W395-L408 HydrophobicContact CZ2-CD2 4.04Å; W395-L408 HydrophobicContact CZ2-CG 4.29Å; W395-F417 AromaticContact CD1-CD1 3.85Å; W395-F417 AromaticContact CD1-CE1 3.84Å; W395-F417 AromaticContact CD2-CD1 3.91Å; W395-F417 HydrophobicContact CD2-CD1 3.91Å; W395-F417 AromaticContact CD2-CE1 3.47Å; W395-F417 HydrophobicContact CD2-CE1 3.47Å; W395-F417 VanDerWaalsContact CD2-CE1 3.47Å; W395-F417 HydrophobicContact CD2-CZ 4.07Å; W395-F417 AromaticContact CE2-CD1 3.29Å; W395-F417 AromaticContact CE2-CE1 3.37Å; W395-F417 AromaticContact CE2-CG 3.95Å; W395-F417 AromaticContact CE3-CE1 3.99Å; W395-F417 HydrophobicContact CE3-CE1 3.99Å; W395-F417 HydrophobicContact CE3-CZ 4.12Å; W395-F417 HydrophobicContact CG-CD1 4.23Å; W395-F417 AromaticContact CG-CE1 3.78Å; W395-F417 HydrophobicContact CG-CE1 3.78Å; W395-F417 HydrophobicContact CH2-CD1 4.39Å; W395-F417 HydrophobicContact CH2-CD2 4.37Å; W395-F417 HydrophobicContact CH2-CE1 4.29Å; W395-F417 HydrophobicContact CH2-CE2 4.29Å; W395-F417 HydrophobicContact CH2-CG 4.42Å; W395-F417 HydrophobicContact CH2-CZ 4.24Å; W395-F417 HydrophobicContact CZ2-CB 4.27Å; W395-F417 AromaticContact CZ2-CD1 3.57Å; W395-F417 HydrophobicContact CZ2-CD1 3.57Å; W395-F417 HydrophobicContact CZ2-CD2 4.11Å; W395-F417 AromaticContact CZ2-CE1 3.81Å; W395-F417 HydrophobicContact CZ2-CE1 3.81Å; W395-F417 HydrophobicContact CZ2-CE2 4.34Å; W395-F417 AromaticContact CZ2-CG 3.73Å; W395-F417 HydrophobicContact CZ2-CG 3.73Å; W395-F417 HydrophobicContact CZ2-CZ 4.2Å; W395-F417 HydrophobicContact CZ3-CE1 4.37Å; W395-F417 HydrophobicContact CZ3-CZ 4.21Å; W395-F417 AromaticContact NE1-CD1 3.26Å; W395-F417 VanDerWaalsContact NE1-CD1 3.26Å; W395-F417 AromaticContact NE1-CE1 3.6Å
396L83.3Confident86.7Confident19 Ų1961.6 Ų61.610%0.09935%0.349CS..Hα-helixtrans-58.7-35.9178-69.1177.1000112.6A70 W392 A399 Q400A70-L396 HydrophobicContact CB-CB 3.99Å; A70-L396 HydrophobicContact CB-CD1 4.29Å; W392-L396 HydrophobicContact CZ2-CD2 4Å; W392-L396 WeakPolarHBondContact O-CG 3.23Å; W392-L396 PolarHBondContact O-N 2.75Å; L396-A399 PolarHBondContact O-N 3.28Å; L396-Q400 WeakPolarHBondContact O-CB 3.47Å; L396-Q400 PolarHBondContact O-N 2.9Å
397K79Confident86.4Confident67 Ų6759.6 Ų59.629%0.29133%0.331SS..Hα-helixtrans-62.7-43.7173.6-72.5171.6174-179.80112.2H62 S66 E393 M394 W395 A399 Q400 K401H62-K397 PolarHBondContact O-NZ 2.92Å; S66-K397 WeakPolarHBondContact OG-CE 3.48Å; S66-K397 PolarHBondContact OG-NZ 2.86Å; E393-K397 WeakPolarHBondContact O-CG 3.37Å; E393-K397 PolarHBondContact O-N 3.48Å; M394-K397 WeakPolarHBondContact O-CB 3.38Å; M394-K397 PolarHBondContact O-N 3.11Å; W395-K397 PolarHBondContact O-N 3.22Å; K397-A399 VanDerWaalsContact C-N 3.34Å; K397-Q400 PolarHBondContact O-N 3.15Å; K397-K401 WeakPolarHBondContact O-CG 3.46Å; K397-K401 PolarHBondContact O-N 2.93Å
398L84.7Confident86.2Confident29 Ų2957.3 Ų57.315%0.15231%0.311CS..Hα-helixtrans-64.8-42.4176.9-68.8170.1000110.6W390 M394 W395 Q400 K401 G402 E403 V404 Y407W390-L398 HydrophobicContact CE3-CD1 4.45Å; W390-L398 HydrophobicContact CH2-CD1 4.35Å; W390-L398 HydrophobicContact CZ2-CD1 4.45Å; W390-L398 HydrophobicContact CZ3-CD1 4.34Å; M394-L398 PolarHBondContact O-N 2.81Å; W395-L398 WeakPolarHBondContact O-CB 3.38Å; W395-L398 PolarHBondContact O-N 3.13Å; L398-Q400 VanDerWaalsContact C-N 3.29Å; L398-Q400 PolarHBondContact O-N 2.81Å; L398-K401 PolarHBondContact O-N 3.1Å; L398-K401 VanDerWaalsContact O-N 3.13Å; L398-G402 PolarHBondContact O-N 3.17Å; L398-E403 HydrophobicContact CB-CB 4.46Å; L398-E403 HydrophobicContact CD2-CB 4.2Å; L398-E403 PolarHBondContact O-N 3.06Å; L398-V404 HydrophobicContact CB-CG1 3.94Å; L398-Y407 HydrophobicContact CD1-CE2 3.98Å
399A82.9Confident86Confident14 Ų1461.1 Ų61.112%0.11633%0.329CS..Hα-helixtrans-59.9-42.7178.800000111.2W395 L396 K397 K401 G402 V404W395-A399 PolarHBondContact O-N 3.42Å; L396-A399 PolarHBondContact O-N 3.28Å; K397-A399 VanDerWaalsContact C-N 3.34Å; A399-K401 VanDerWaalsContact C-N 3.29Å; A399-K401 PolarHBondContact O-N 3.22Å; A399-G402 PolarHBondContact O-N 2.99Å; A399-V404 VanDerWaalsContact CA-CG1 3.42Å; A399-V404 HydrophobicContact CB-CG1 3.76Å; A399-V404 HydrophobicContact CB-CG2 4.46Å; A399-V404 VanDerWaalsContact N-CG1 3.35Å
400Q76.1Confident85.9Confident91 Ų9161.7 Ų61.743%0.42532%0.32SS..Hα-helixtrans-61.5-36.2177.3-173.2178.613.900113F69 L396 K397 L398 G402F69-Q400 PolarHBondContact O-NE2 2.75Å; L396-Q400 WeakPolarHBondContact O-CB 3.47Å; L396-Q400 PolarHBondContact O-N 2.9Å; K397-Q400 PolarHBondContact O-N 3.15Å; L398-Q400 VanDerWaalsContact C-N 3.29Å; L398-Q400 PolarHBondContact O-N 2.81Å; Q400-G402 PolarHBondContact O-N 3.07Å
401K82Confident85.9Confident151 Ų15167.4 Ų67.466%0.65735%0.349SS*.THydrogen-bonded Turntrans-79.30.5176.9-64.1-177.2-179.1-173.90113.5K397 L398 A399 E403K397-K401 WeakPolarHBondContact O-CG 3.46Å; K397-K401 PolarHBondContact O-N 2.93Å; L398-K401 PolarHBondContact O-N 3.1Å; L398-K401 VanDerWaalsContact O-N 3.13Å; A399-K401 VanDerWaalsContact C-N 3.29Å; A399-K401 PolarHBondContact O-N 3.22Å; K401-E403 HydrophobicContact CB-CB 4.33Å; K401-E403 HydrophobicContact CB-CG 3.85Å; K401-E403 VanDerWaalsContact CD-OE1 3.26Å; K401-E403 WeakPolarHBondContact CD-OE1 3.44Å; K401-E403 PolarHBondContact O-N 2.98Å
402G84.1Confident86.2Confident54 Ų5469.4 Ų69.456%0.55735%0.354SS*.THydrogen-bonded Turntrans70.118.5-173.500000113.4L398 A399 Q400L398-G402 PolarHBondContact O-N 3.17Å; A399-G402 PolarHBondContact O-N 2.99Å; Q400-G402 PolarHBondContact O-N 3.07Å
403E86.8Confident86.5Confident65 Ų6569.7 Ų69.730%0.30436%0.356SS..  trans-97.18-170.3-75.1-170.2-130.400114L398 K401 K406 Y407L398-E403 HydrophobicContact CB-CB 4.46Å; L398-E403 HydrophobicContact CD2-CB 4.2Å; L398-E403 PolarHBondContact O-N 3.06Å; K401-E403 HydrophobicContact CB-CB 4.33Å; K401-E403 HydrophobicContact CB-CG 3.85Å; K401-E403 VanDerWaalsContact CD-OE1 3.26Å; K401-E403 WeakPolarHBondContact CD-OE1 3.44Å; K401-E403 PolarHBondContact O-N 2.98Å; E403-K406 WeakPolarHBondContact O-CE 3.42Å; E403-K406 WeakPolarHBondContact O-CG 3.48Å; E403-K406 IonicContact OE2-NZ 3.68Å; E403-K406 PolarHBondContact OE2-NZ 3.06Å; E403-Y407 WeakPolarHBondContact O-CD2 3.21Å; E403-Y407 WeakPolarHBondContact O-CE2 3.1Å
404V87.1Confident87.1Confident28 Ų2869.6 Ų69.617%0.1736%0.361CS..SBendtrans-81.8-28.3-176.4-730000114W395 L398 A399 K406 Y407 L408W395-V404 HydrophobicContact CD2-CG1 4.13Å; W395-V404 HydrophobicContact CE3-CG1 4.19Å; W395-V404 HydrophobicContact CH2-CB 3.64Å; W395-V404 HydrophobicContact CH2-CG1 3.58Å; W395-V404 HydrophobicContact CZ2-CB 3.74Å; W395-V404 HydrophobicContact CZ2-CG1 3.51Å; W395-V404 HydrophobicContact CZ3-CB 4.33Å; W395-V404 HydrophobicContact CZ3-CG1 3.93Å; L398-V404 HydrophobicContact CB-CG1 3.94Å; A399-V404 VanDerWaalsContact CA-CG1 3.42Å; A399-V404 HydrophobicContact CB-CG1 3.76Å; A399-V404 HydrophobicContact CB-CG2 4.46Å; A399-V404 VanDerWaalsContact N-CG1 3.35Å; V404-K406 PolarHBondContact O-N 3.04Å; V404-Y407 PolarHBondContact O-N 2.71Å; V404-L408 HydrophobicContact CB-CD1 4.48Å; V404-L408 PolarHBondContact O-N 3.36Å
405S86Confident87.6Confident91 Ų9170.4 Ų70.464%0.63636%0.364SS*.THydrogen-bonded Turntrans-58.7-32.7-175.251.90000113Y407S405-Y407 PolarHBondContact O-N 3.5Å
406K88.4Confident88Confident97 Ų9770.1 Ų70.142%0.42236%0.363SS..THydrogen-bonded Turntrans-66.1-14.7176.655.6170.9162.3173.50114.8E403 V404 H409E403-K406 WeakPolarHBondContact O-CE 3.42Å; E403-K406 WeakPolarHBondContact O-CG 3.48Å; E403-K406 IonicContact OE2-NZ 3.68Å; E403-K406 PolarHBondContact OE2-NZ 3.06Å; V404-K406 PolarHBondContact O-N 3.04Å; K406-H409 PolarHBondContact O-CE1 2.81Å; K406-H409 PolarHBondContact O-NE2 3.24Å
407Y89.9Confident88.5Confident58 Ų5869.5 Ų69.523%0.22736%0.359CS..THydrogen-bonded Turntrans-109.6-18.2-177.6-56.1-64.8000113.5W390 L398 E403 V404 S405 H409W390-Y407 AromaticContact CH2-CD1 3.61Å; W390-Y407 HydrophobicContact CH2-CD1 3.61Å; W390-Y407 AromaticContact CH2-CD2 3.84Å; W390-Y407 HydrophobicContact CH2-CD2 3.84Å; W390-Y407 AromaticContact CH2-CE1 3.59Å; W390-Y407 HydrophobicContact CH2-CE1 3.59Å; W390-Y407 AromaticContact CH2-CE2 3.81Å; W390-Y407 HydrophobicContact CH2-CE2 3.81Å; W390-Y407 AromaticContact CH2-CG 3.74Å; W390-Y407 HydrophobicContact CH2-CG 3.74Å; W390-Y407 AromaticContact CH2-CZ 3.7Å; W390-Y407 HydrophobicContact CZ2-CE1 4.15Å; W390-Y407 HydrophobicContact CZ2-CE2 4.48Å; W390-Y407 HydrophobicContact CZ3-CD1 4.38Å; W390-Y407 HydrophobicContact CZ3-CD2 4.18Å; W390-Y407 HydrophobicContact CZ3-CE2 4.49Å; W390-Y407 HydrophobicContact CZ3-CG 4.12Å; L398-Y407 HydrophobicContact CD1-CE2 3.98Å; E403-Y407 WeakPolarHBondContact O-CD2 3.21Å; E403-Y407 WeakPolarHBondContact O-CE2 3.1Å; V404-Y407 PolarHBondContact O-N 2.71Å; S405-Y407 PolarHBondContact O-N 3.5Å; Y407-H409 PolarHBondContact O-CD2 3.48Å; Y407-H409 PolarHBondContact O-N 3.46Å
408L90.1Very high89.1Confident40 Ų4069.4 Ų69.421%0.20936%0.362CS..  trans-90.874.7-178-62.4175.7000110W395 V404 T410 I413 A414 F417W395-L408 HydrophobicContact CH2-CD1 4.05Å; W395-L408 HydrophobicContact CH2-CD2 3.58Å; W395-L408 HydrophobicContact CH2-CG 3.78Å; W395-L408 HydrophobicContact CZ2-CD1 4.09Å; W395-L408 HydrophobicContact CZ2-CD2 4.04Å; W395-L408 HydrophobicContact CZ2-CG 4.29Å; V404-L408 HydrophobicContact CB-CD1 4.48Å; V404-L408 PolarHBondContact O-N 3.36Å; L408-T410 VanDerWaalsContact C-N 3.33Å; L408-T410 PolarHBondContact O-N 2.81Å; L408-I413 HydrophobicContact CB-CG2 4.4Å; L408-I413 HydrophobicContact CD2-CG1 4.39Å; L408-I413 HydrophobicContact CD2-CG2 3.92Å; L408-A414 HydrophobicContact CB-CB 4.12Å; L408-A414 HydrophobicContact CD1-CB 4.13Å; L408-F417 HydrophobicContact CD2-CD2 3.5Å; L408-F417 HydrophobicContact CD2-CE2 3.94Å; L408-F417 HydrophobicContact CD2-CG 4.27Å
409H87.3Confident89.6Confident160 Ų16068.9 Ų68.974%0.74136%0.36SS*.  trans-76-18.7-174.5-57.2-61.3000114.5K406 Y407K406-H409 PolarHBondContact O-CE1 2.81Å; K406-H409 PolarHBondContact O-NE2 3.24Å; Y407-H409 PolarHBondContact O-CD2 3.48Å; Y407-H409 PolarHBondContact O-N 3.46Å
410T91.6Very high90.1Very high76 Ų7668.2 Ų68.247%0.46635%0.354SS..SBendtrans-118.8145.7178.469.60000110.7L408 E412 I413 A414L408-T410 VanDerWaalsContact C-N 3.33Å; L408-T410 PolarHBondContact O-N 2.81Å; T410-E412 PolarHBondContact O-N 3.22Å; T410-I413 WeakPolarHBondContact O-CG2 3.37Å; T410-I413 PolarHBondContact O-N 3.4Å; T410-I413 WeakPolarHBondContact OG1-CG2 3.42Å; T410-I413 PolarHBondContact OG1-N 3.32Å; T410-A414 PolarHBondContact O-N 2.87Å; T410-A414 VanDerWaalsContact O-N 3.13Å
411E92.4Very high90.8Very high174 Ų17465 Ų6581%0.81334%0.339SS*.Hα-helixtrans-58.3-39.8173.5-173.9174.1-168.500110.9I413 A414 E415E411-I413 PolarHBondContact O-N 2.97Å; E411-A414 PolarHBondContact O-N 3.08Å; E411-E415 VanDerWaalsContact O-CB 3.29Å; E411-E415 WeakPolarHBondContact O-CB 3.31Å; E411-E415 PolarHBondContact O-N 2.83Å
412E95Very high91.3Very high111 Ų11161.3 Ų61.352%0.51932%0.323SS..Hα-helixtrans-57.9-44.4179-172.5-172.2175.300113.5R380 T410 S416R380-E412 WeakPolarHBondContact CD-OE1 3.46Å; R380-E412 IonicContact CZ-OE1 3.96Å; R380-E412 IonicContact NE-OE1 2.73Å; R380-E412 VanDerWaalsContact NH1-CD 3.31Å; R380-E412 IonicContact NH1-OE1 3.59Å; R380-E412 PolarHBondContact NH1-OE1 3.46Å; T410-E412 PolarHBondContact O-N 3.22Å; E412-S416 WeakPolarHBondContact O-CB 3.47Å; E412-S416 PolarHBondContact O-N 2.92Å; E412-S416 VanDerWaalsContact O-N 3.07Å; E412-S416 PolarHBondContact O-OG 3.32Å
413I94.9Very high91.8Very high20 Ų2058.8 Ų58.810%0.10330%0.297CS..Hα-helixtrans-73.8-39.4179.4-162.561.3000110.4R380 F384 L408 T410 E411 E415 S416 F417R380-I413 HydrophobicContact CB-CD1 4.43Å; F384-I413 HydrophobicContact CB-CD1 3.96Å; F384-I413 HydrophobicContact CD2-CD1 4.04Å; F384-I413 HydrophobicContact CD2-CG1 3.75Å; F384-I413 HydrophobicContact CE2-CG1 4.17Å; F384-I413 HydrophobicContact CG-CD1 4.16Å; F384-I413 HydrophobicContact CG-CG1 4.2Å; L408-I413 HydrophobicContact CB-CG2 4.4Å; L408-I413 HydrophobicContact CD2-CG1 4.39Å; L408-I413 HydrophobicContact CD2-CG2 3.92Å; T410-I413 WeakPolarHBondContact O-CG2 3.37Å; T410-I413 PolarHBondContact O-N 3.4Å; T410-I413 WeakPolarHBondContact OG1-CG2 3.42Å; T410-I413 PolarHBondContact OG1-N 3.32Å; E411-I413 PolarHBondContact O-N 2.97Å; I413-E415 PolarHBondContact O-N 3.47Å; I413-S416 PolarHBondContact O-N 3.29Å; I413-F417 HydrophobicContact CD1-CD2 4.29Å; I413-F417 HydrophobicContact CD1-CE2 4.06Å; I413-F417 HydrophobicContact CG1-CD2 3.96Å; I413-F417 HydrophobicContact CG1-CE2 3.84Å; I413-F417 VanDerWaalsContact O-CD2 3.31Å; I413-F417 WeakPolarHBondContact O-CD2 3.38Å; I413-F417 PolarHBondContact O-N 2.86Å
414A94.2Very high92Very high34 Ų3456 Ų5628%0.28128%0.284SS..Hα-helixtrans-58.8-48.1175.900000111.6L408 T410 E411 S416 F417 D418L408-A414 HydrophobicContact CB-CB 4.12Å; L408-A414 HydrophobicContact CD1-CB 4.13Å; T410-A414 PolarHBondContact O-N 2.87Å; T410-A414 VanDerWaalsContact O-N 3.13Å; E411-A414 PolarHBondContact O-N 3.08Å; A414-S416 VanDerWaalsContact C-N 3.33Å; A414-S416 PolarHBondContact O-N 3.32Å; A414-F417 PolarHBondContact O-N 2.82Å; A414-D418 PolarHBondContact O-N 3.49Å
415E95.1Very high92.2Very high93 Ų9355 Ų5544%0.43528%0.277SS..Hα-helixtrans-59.4-43.4175.6-170.1-160.9178.600111.2E411 I413 F417 D418 I419E411-E415 VanDerWaalsContact O-CB 3.29Å; E411-E415 WeakPolarHBondContact O-CB 3.31Å; E411-E415 PolarHBondContact O-N 2.83Å; I413-E415 PolarHBondContact O-N 3.47Å; E415-F417 PolarHBondContact O-N 3.03Å; E415-D418 PolarHBondContact O-N 2.92Å; E415-I419 HydrophobicContact CG-CD1 3.76Å; E415-I419 HydrophobicContact CG-CG1 4.42Å; E415-I419 WeakPolarHBondContact O-CB 3.31Å; E415-I419 WeakPolarHBondContact O-CG1 3.49Å; E415-I419 PolarHBondContact O-N 3.15Å
416S96.7Very high92.5Very high0 Ų050.6 Ų50.60%025%0.247CC..Hα-helixtrans-63-40.4178.7-62.60000113H377 R380 V381 E412 I413 A414 V420H377-S416 WeakPolarHBondContact ND1-CA 3.44Å; H377-S416 PolarHBondContact ND1-OG 3.11Å; H377-S416 VanDerWaalsContact ND1-OG 3.16Å; R380-S416 PolarHBondContact NE-OG 3.09Å; R380-S416 PolarHBondContact NH1-OG 3.36Å; R380-S416 PolarHBondContact NH2-OG 2.96Å; V381-S416 WeakPolarHBondContact CG2-O 3.23Å; E412-S416 WeakPolarHBondContact O-CB 3.47Å; E412-S416 PolarHBondContact O-N 2.92Å; E412-S416 VanDerWaalsContact O-N 3.07Å; E412-S416 PolarHBondContact O-OG 3.32Å; I413-S416 PolarHBondContact O-N 3.29Å; A414-S416 VanDerWaalsContact C-N 3.33Å; A414-S416 PolarHBondContact O-N 3.32Å; S416-V420 WeakPolarHBondContact O-CB 3.36Å; S416-V420 WeakPolarHBondContact O-CG2 3.39Å; S416-V420 PolarHBondContact O-N 3.15Å
417F94.7Very high92.7Very high6 Ų646.1 Ų46.13%0.02623%0.227CC..Hα-helixtrans-65.2-44.3174.3-89.1-79.3000112.1V381 F384 L385 W392 W395 L408 I413 A414 E415 V420 E421V381-F417 HydrophobicContact CB-CE1 4.48Å; V381-F417 HydrophobicContact CG1-CD1 4.01Å; V381-F417 HydrophobicContact CG1-CE1 3.63Å; V381-F417 HydrophobicContact CG1-CZ 3.99Å; V381-F417 HydrophobicContact CG2-CD1 4.07Å; V381-F417 HydrophobicContact CG2-CD2 4.1Å; V381-F417 HydrophobicContact CG2-CE1 4.31Å; V381-F417 HydrophobicContact CG2-CE2 4.32Å; V381-F417 HydrophobicContact CG2-CG 3.97Å; V381-F417 HydrophobicContact CG2-CZ 4.42Å; F384-F417 HydrophobicContact CB-CE2 4.38Å; F384-F417 AromaticContact CD1-CE2 3.59Å; F384-F417 HydrophobicContact CD1-CE2 3.59Å; F384-F417 AromaticContact CD1-CZ 3.49Å; F384-F417 HydrophobicContact CD1-CZ 3.49Å; F384-F417 VanDerWaalsContact CD1-CZ 3.49Å; F384-F417 AromaticContact CE1-CE2 3.95Å; F384-F417 HydrophobicContact CE1-CE2 3.95Å; F384-F417 AromaticContact CE1-CZ 3.93Å; F384-F417 HydrophobicContact CE1-CZ 3.93Å; F384-F417 AromaticContact CG-CE2 3.94Å; F384-F417 HydrophobicContact CG-CE2 3.94Å; F384-F417 HydrophobicContact CG-CZ 4.19Å; L385-F417 HydrophobicContact CD1-CE1 4.39Å; L385-F417 HydrophobicContact CD2-CE1 4.05Å; L385-F417 HydrophobicContact CD2-CZ 3.95Å; L385-F417 HydrophobicContact CG-CE1 4.24Å; L385-F417 HydrophobicContact CG-CZ 4.07Å; W392-F417 HydrophobicContact CH2-CD1 4.41Å; W392-F417 AromaticContact CZ3-CD1 3.8Å; W392-F417 HydrophobicContact CZ3-CD1 3.8Å; W392-F417 AromaticContact CZ3-CE1 3.93Å; W392-F417 HydrophobicContact CZ3-CE1 3.93Å; W395-F417 AromaticContact CD1-CD1 3.85Å; W395-F417 AromaticContact CD1-CE1 3.84Å; W395-F417 AromaticContact CD2-CD1 3.91Å; W395-F417 HydrophobicContact CD2-CD1 3.91Å; W395-F417 AromaticContact CD2-CE1 3.47Å; W395-F417 HydrophobicContact CD2-CE1 3.47Å; W395-F417 VanDerWaalsContact CD2-CE1 3.47Å; W395-F417 HydrophobicContact CD2-CZ 4.07Å; W395-F417 AromaticContact CE2-CD1 3.29Å; W395-F417 AromaticContact CE2-CE1 3.37Å; W395-F417 AromaticContact CE2-CG 3.95Å; W395-F417 AromaticContact CE3-CE1 3.99Å; W395-F417 HydrophobicContact CE3-CE1 3.99Å; W395-F417 HydrophobicContact CE3-CZ 4.12Å; W395-F417 HydrophobicContact CG-CD1 4.23Å; W395-F417 AromaticContact CG-CE1 3.78Å; W395-F417 HydrophobicContact CG-CE1 3.78Å; W395-F417 HydrophobicContact CH2-CD1 4.39Å; W395-F417 HydrophobicContact CH2-CD2 4.37Å; W395-F417 HydrophobicContact CH2-CE1 4.29Å; W395-F417 HydrophobicContact CH2-CE2 4.29Å; W395-F417 HydrophobicContact CH2-CG 4.42Å; W395-F417 HydrophobicContact CH2-CZ 4.24Å; W395-F417 HydrophobicContact CZ2-CB 4.27Å; W395-F417 AromaticContact CZ2-CD1 3.57Å; W395-F417 HydrophobicContact CZ2-CD1 3.57Å; W395-F417 HydrophobicContact CZ2-CD2 4.11Å; W395-F417 AromaticContact CZ2-CE1 3.81Å; W395-F417 HydrophobicContact CZ2-CE1 3.81Å; W395-F417 HydrophobicContact CZ2-CE2 4.34Å; W395-F417 AromaticContact CZ2-CG 3.73Å; W395-F417 HydrophobicContact CZ2-CG 3.73Å; W395-F417 HydrophobicContact CZ2-CZ 4.2Å; W395-F417 HydrophobicContact CZ3-CE1 4.37Å; W395-F417 HydrophobicContact CZ3-CZ 4.21Å; W395-F417 AromaticContact NE1-CD1 3.26Å; W395-F417 VanDerWaalsContact NE1-CD1 3.26Å; W395-F417 AromaticContact NE1-CE1 3.6Å; L408-F417 HydrophobicContact CD2-CD2 3.5Å; L408-F417 HydrophobicContact CD2-CE2 3.94Å; L408-F417 HydrophobicContact CD2-CG 4.27Å; I413-F417 HydrophobicContact CD1-CD2 4.29Å; I413-F417 HydrophobicContact CD1-CE2 4.06Å; I413-F417 HydrophobicContact CG1-CD2 3.96Å; I413-F417 HydrophobicContact CG1-CE2 3.84Å; I413-F417 VanDerWaalsContact O-CD2 3.31Å; I413-F417 WeakPolarHBondContact O-CD2 3.38Å; I413-F417 PolarHBondContact O-N 2.86Å; A414-F417 PolarHBondContact O-N 2.82Å; E415-F417 PolarHBondContact O-N 3.03Å; F417-V420 PolarHBondContact O-N 3.26Å; F417-E421 VanDerWaalsContact O-CB 3.31Å; F417-E421 WeakPolarHBondContact O-CB 3.41Å; F417-E421 PolarHBondContact O-N 2.88Å
418D91.5Very high92.8Very high66 Ų6643.5 Ų43.535%0.35322%0.217SC..Hα-helixtrans-61.4-48.3177.9178.165.4000111.9A414 E415 V420 E421 K422A414-D418 PolarHBondContact O-N 3.49Å; E415-D418 PolarHBondContact O-N 2.92Å; D418-V420 PolarHBondContact O-N 3.11Å; D418-E421 PolarHBondContact O-N 2.89Å; D418-K422 VanDerWaalsContact CG-NZ 3.33Å; D418-K422 WeakPolarHBondContact O-CB 3.42Å; D418-K422 WeakPolarHBondContact O-CG 3.32Å; D418-K422 PolarHBondContact O-N 3.37Å; D418-K422 WeakPolarHBondContact OD1-CE 3.49Å; D418-K422 IonicContact OD1-NZ 3.61Å; D418-K422 PolarHBondContact OD1-NZ 2.76Å; D418-K422 VanDerWaalsContact OD2-CE 3.3Å; D418-K422 WeakPolarHBondContact OD2-CE 3.21Å; D418-K422 IonicContact OD2-NZ 3.52Å; D418-K422 PolarHBondContact OD2-NZ 3.34Å
419I94.2Very high92.9Very high18 Ų1841.6 Ų41.69%0.09221%0.207CC..Hα-helixtrans-61.4-45.4178.2-73.7171.9000111.4I367 I374 H377 E415 Y423I367-I419 HydrophobicContact CD1-CG2 4.4Å; I374-I419 HydrophobicContact CD1-CG2 3.42Å; I374-I419 VanDerWaalsContact CD1-CG2 3.42Å; I374-I419 HydrophobicContact CG2-CG2 4.27Å; H377-I419 HydrophobicContact CB-CG2 4.26Å; H377-I419 WeakPolarHBondContact CE1-CD1 3.24Å; E415-I419 HydrophobicContact CG-CD1 3.76Å; E415-I419 HydrophobicContact CG-CG1 4.42Å; E415-I419 WeakPolarHBondContact O-CB 3.31Å; E415-I419 WeakPolarHBondContact O-CG1 3.49Å; E415-I419 PolarHBondContact O-N 3.15Å; I419-Y423 WeakPolarHBondContact O-CB 3.47Å; I419-Y423 PolarHBondContact O-N 3.47Å
420V94.7Very high93.3Very high0 Ų034.4 Ų34.40%017%0.173CC..Hα-helixtrans-66.3-43180168.60000111.1H377 V381 W392 S416 F417 D418 Y423 L424 L476 L479H377-V420 HydrophobicContact CB-CG2 3.98Å; V381-V420 HydrophobicContact CB-CG2 4.4Å; V381-V420 HydrophobicContact CG2-CB 4.24Å; V381-V420 HydrophobicContact CG2-CG2 3.91Å; W392-V420 HydrophobicContact CH2-CG1 4.12Å; W392-V420 HydrophobicContact CZ3-CG1 4.29Å; S416-V420 WeakPolarHBondContact O-CB 3.36Å; S416-V420 WeakPolarHBondContact O-CG2 3.39Å; S416-V420 PolarHBondContact O-N 3.15Å; F417-V420 PolarHBondContact O-N 3.26Å; D418-V420 PolarHBondContact O-N 3.11Å; V420-Y423 PolarHBondContact O-N 3.36Å; V420-L424 HydrophobicContact CG1-CD1 4.06Å; V420-L424 WeakPolarHBondContact O-CG 3.37Å; V420-L424 PolarHBondContact O-N 3.28Å; V420-L476 HydrophobicContact CG1-CD1 3.54Å; V420-L479 HydrophobicContact CG1-CD2 4.49Å
421E91.1Very high93.3Very high23 Ų2333.3 Ų33.311%0.10717%0.165CC..Hα-helixtrans-62.1-52.2176.4179164.8-150.300111.2R73 W392 F417 D418 Y423 L424 I425R73-E421 IonicContact CZ-OE1 3.04Å; R73-E421 IonicContact NH2-OE1 3.49Å; R73-E421 PolarHBondContact NH2-OE1 2.82Å; R73-E421 IonicContact NH2-OE2 2.78Å; R73-E421 PolarHBondContact NH2-OE2 3.48Å; W392-E421 HydrophobicContact CH2-CB 4.07Å; W392-E421 HydrophobicContact CZ2-CB 4.18Å; F417-E421 VanDerWaalsContact O-CB 3.31Å; F417-E421 WeakPolarHBondContact O-CB 3.41Å; F417-E421 PolarHBondContact O-N 2.88Å; D418-E421 PolarHBondContact O-N 2.89Å; E421-Y423 VanDerWaalsContact C-N 3.26Å; E421-Y423 PolarHBondContact O-N 3.33Å; E421-L424 WeakPolarHBondContact O-CB 3.3Å; E421-L424 PolarHBondContact O-N 3.1Å; E421-L424 VanDerWaalsContact O-N 3.1Å; E421-I425 HydrophobicContact CG-CD1 3.89Å; E421-I425 HydrophobicContact CG-CG1 4.42Å; E421-I425 VanDerWaalsContact O-CG1 3.3Å; E421-I425 WeakPolarHBondContact O-CG1 3.25Å; E421-I425 PolarHBondContact O-N 3.38Å
422K91.5Very high93.4Very high74 Ų7425 Ų2532%0.32213%0.126SC..Hα-helixtrans-56.6-40.5176.8-75.6173175.9164.30111.9L366 I367 D418 I425 S426L366-K422 HydrophobicContact CB-CB 4.26Å; I367-K422 HydrophobicContact CD1-CB 3.86Å; I367-K422 HydrophobicContact CD1-CD 4.41Å; I367-K422 HydrophobicContact CG1-CB 3.74Å; D418-K422 VanDerWaalsContact CG-NZ 3.33Å; D418-K422 WeakPolarHBondContact O-CB 3.42Å; D418-K422 WeakPolarHBondContact O-CG 3.32Å; D418-K422 PolarHBondContact O-N 3.37Å; D418-K422 WeakPolarHBondContact OD1-CE 3.49Å; D418-K422 IonicContact OD1-NZ 3.61Å; D418-K422 PolarHBondContact OD1-NZ 2.76Å; D418-K422 VanDerWaalsContact OD2-CE 3.3Å; D418-K422 WeakPolarHBondContact OD2-CE 3.21Å; D418-K422 IonicContact OD2-NZ 3.52Å; D418-K422 PolarHBondContact OD2-NZ 3.34Å; K422-I425 PolarHBondContact O-N 3.29Å; K422-S426 WeakPolarHBondContact O-CB 3.28Å; K422-S426 PolarHBondContact O-N 3.31Å
423Y93.6Very high93.5Very high1 Ų119.8 Ų19.80%0.00410%0.102CC..Hα-helixtrans-65-44176.8-170.7-100.5000111.9I367 I371 I374 I419 V420 E421 I425 S426 L427 L479I367-Y423 HydrophobicContact CB-CD2 4.12Å; I367-Y423 HydrophobicContact CG1-CD2 4.46Å; I367-Y423 HydrophobicContact CG2-CD2 3.86Å; I371-Y423 WeakPolarHBondContact CB-OH 3.49Å; I371-Y423 HydrophobicContact CD1-CE1 3.91Å; I371-Y423 WeakPolarHBondContact CD1-OH 3.41Å; I371-Y423 HydrophobicContact CG1-CE1 4.11Å; I374-Y423 HydrophobicContact CB-CG 4.48Å; I374-Y423 HydrophobicContact CD1-CD2 4.31Å; I374-Y423 HydrophobicContact CG1-CD2 3.73Å; I374-Y423 HydrophobicContact CG1-CE2 4.09Å; I374-Y423 HydrophobicContact CG1-CG 4.12Å; I374-Y423 HydrophobicContact CG2-CD1 4.14Å; I374-Y423 HydrophobicContact CG2-CD2 4.38Å; I374-Y423 HydrophobicContact CG2-CG 3.9Å; I419-Y423 WeakPolarHBondContact O-CB 3.47Å; I419-Y423 PolarHBondContact O-N 3.47Å; V420-Y423 PolarHBondContact O-N 3.36Å; E421-Y423 VanDerWaalsContact C-N 3.26Å; E421-Y423 PolarHBondContact O-N 3.33Å; Y423-I425 VanDerWaalsContact C-N 3.33Å; Y423-I425 PolarHBondContact O-N 3.06Å; Y423-S426 WeakPolarHBondContact O-CB 3.3Å; Y423-S426 PolarHBondContact O-N 3.28Å; Y423-S426 PolarHBondContact O-OG 2.84Å; Y423-L427 HydrophobicContact CD1-CD1 4.07Å; Y423-L427 HydrophobicContact CD1-CG 4.13Å; Y423-L427 HydrophobicContact CE1-CD1 3.69Å; Y423-L427 HydrophobicContact CE1-CD2 3.96Å; Y423-L427 HydrophobicContact CE1-CG 3.78Å; Y423-L427 WeakPolarHBondContact O-CG 3.49Å; Y423-L427 PolarHBondContact O-N 3.48Å; Y423-L479 HydrophobicContact CD1-CD1 4.28Å; Y423-L479 HydrophobicContact CD1-CD2 3.99Å; Y423-L479 HydrophobicContact CD1-CG 3.94Å; Y423-L479 HydrophobicContact CE1-CG 4.13Å
424L91.9Very high93.7Very high7 Ų718.8 Ų18.84%0.03710%0.097CC..Hα-helixtrans-60.3-42.2175.8-75.9168.3000111.8W392 V420 E421 L427 I428 K474 L476 L479W392-L424 HydrophobicContact CD2-CD1 4.36Å; W392-L424 HydrophobicContact CH2-CD1 4.32Å; W392-L424 HydrophobicContact CZ2-CD1 3.51Å; V420-L424 HydrophobicContact CG1-CD1 4.06Å; V420-L424 WeakPolarHBondContact O-CG 3.37Å; V420-L424 PolarHBondContact O-N 3.28Å; E421-L424 WeakPolarHBondContact O-CB 3.3Å; E421-L424 PolarHBondContact O-N 3.1Å; E421-L424 VanDerWaalsContact O-N 3.1Å; L424-L427 WeakPolarHBondContact O-CB 3.37Å; L424-L427 PolarHBondContact O-N 3.09Å; L424-I428 WeakPolarHBondContact O-CG1 3.28Å; L424-I428 PolarHBondContact O-N 3.1Å; L424-I428 VanDerWaalsContact O-N 3.16Å; L424-K474 HydrophobicContact CD2-CB 3.84Å; L424-L476 HydrophobicContact CD1-CD1 4.36Å; L424-L479 HydrophobicContact CD2-CD1 3.25Å; L424-L479 HydrophobicContact CG-CD1 3.79Å
425I90.6Very high93.8Very high5 Ų517.4 Ų17.43%0.0269%0.085CC..Hα-helixtrans-63-43.6175-62.1172.2000110.7I74 V363 L366 E421 K422 Y423 L427 I428 A429I74-I425 HydrophobicContact CB-CD1 4.42Å; I74-I425 HydrophobicContact CB-CG1 4.42Å; I74-I425 HydrophobicContact CD1-CD1 4.37Å; I74-I425 HydrophobicContact CD1-CG1 4.16Å; I74-I425 HydrophobicContact CG1-CD1 3.83Å; I74-I425 HydrophobicContact CG1-CG1 4.02Å; I74-I425 HydrophobicContact CG2-CB 4.25Å; I74-I425 HydrophobicContact CG2-CD1 4.1Å; I74-I425 HydrophobicContact CG2-CG1 3.68Å; I74-I425 HydrophobicContact CG2-CG2 3.79Å; V363-I425 HydrophobicContact CG1-CG2 3.66Å; L366-I425 HydrophobicContact CD1-CB 3.95Å; L366-I425 HydrophobicContact CD1-CG2 3.57Å; E421-I425 HydrophobicContact CG-CD1 3.89Å; E421-I425 HydrophobicContact CG-CG1 4.42Å; E421-I425 VanDerWaalsContact O-CG1 3.3Å; E421-I425 WeakPolarHBondContact O-CG1 3.25Å; E421-I425 PolarHBondContact O-N 3.38Å; K422-I425 PolarHBondContact O-N 3.29Å; Y423-I425 VanDerWaalsContact C-N 3.33Å; Y423-I425 PolarHBondContact O-N 3.06Å; I425-L427 PolarHBondContact O-N 3.18Å; I425-I428 WeakPolarHBondContact O-CA 3.31Å; I425-I428 VanDerWaalsContact O-CB 3.32Å; I425-I428 WeakPolarHBondContact O-CB 3.44Å; I425-I428 PolarHBondContact O-N 3.31Å; I425-A429 PolarHBondContact O-N 2.77Å; I425-A429 VanDerWaalsContact O-N 3.15Å
426S92.5Very high94Very high0 Ų013.1 Ų13.10%06%0.064CC..Hα-helixtrans-59.1-36.8175.185.80000111.9V363 K422 Y423 I428 A429 R430V363-S426 WeakPolarHBondContact O-CA 3.2Å; K422-S426 WeakPolarHBondContact O-CB 3.28Å; K422-S426 PolarHBondContact O-N 3.31Å; Y423-S426 WeakPolarHBondContact O-CB 3.3Å; Y423-S426 PolarHBondContact O-N 3.28Å; Y423-S426 PolarHBondContact O-OG 2.84Å; S426-I428 VanDerWaalsContact C-N 3.32Å; S426-I428 PolarHBondContact O-N 2.75Å; S426-A429 PolarHBondContact O-N 3.21Å; S426-R430 WeakPolarHBondContact O-CG 3.33Å; S426-R430 PolarHBondContact O-N 3.12Å; S426-R430 PolarHBondContact OG-NH2 3.49Å
427L92.8Very high94.1Very high2 Ų213.1 Ų13.11%0.017%0.065CC..Hα-helixtrans-66.9-31.6175.4-69.9-176.7000112.6Y423 L424 I425 R430 D431 K474 R482Y423-L427 HydrophobicContact CD1-CD1 4.07Å; Y423-L427 HydrophobicContact CD1-CG 4.13Å; Y423-L427 HydrophobicContact CE1-CD1 3.69Å; Y423-L427 HydrophobicContact CE1-CD2 3.96Å; Y423-L427 HydrophobicContact CE1-CG 3.78Å; Y423-L427 WeakPolarHBondContact O-CG 3.49Å; Y423-L427 PolarHBondContact O-N 3.48Å; L424-L427 WeakPolarHBondContact O-CB 3.37Å; L424-L427 PolarHBondContact O-N 3.09Å; I425-L427 PolarHBondContact O-N 3.18Å; L427-R430 PolarHBondContact O-N 3.3Å; L427-D431 WeakPolarHBondContact O-CB 3.45Å; L427-D431 PolarHBondContact O-N 3.43Å; L427-K474 HydrophobicContact CB-CG 3.97Å; L427-R482 HydrophobicContact CD2-CG 4.47Å
428I91.9Very high94.2Very high3 Ų313 Ų132%0.0156%0.064CC..Hα-helixtrans-62.4-50.1171.6-59.8170.8000109.1I74 F78 L424 I425 S426 R430 D431 C432 L471 K474I74-I428 HydrophobicContact CG2-CD1 4.01Å; F78-I428 HydrophobicContact CZ-CG2 4.36Å; L424-I428 WeakPolarHBondContact O-CG1 3.28Å; L424-I428 PolarHBondContact O-N 3.1Å; L424-I428 VanDerWaalsContact O-N 3.16Å; I425-I428 WeakPolarHBondContact O-CA 3.31Å; I425-I428 VanDerWaalsContact O-CB 3.32Å; I425-I428 WeakPolarHBondContact O-CB 3.44Å; I425-I428 PolarHBondContact O-N 3.31Å; S426-I428 VanDerWaalsContact C-N 3.32Å; S426-I428 PolarHBondContact O-N 2.75Å; I428-R430 VanDerWaalsContact C-N 3.28Å; I428-R430 PolarHBondContact O-N 3.23Å; I428-D431 CarbonylContact O-C 3.53Å; I428-D431 PolarHBondContact O-N 3.22Å; I428-D431 VanDerWaalsContact O-N 3.12Å; I428-C432 PolarHBondContact O-N 2.98Å; I428-L471 HydrophobicContact CG2-CB 4.11Å; I428-L471 HydrophobicContact CG2-CD2 3.66Å; I428-K474 HydrophobicContact CG1-CG 3.95Å
429A93.8Very high94.4Very high0 Ų011 Ų110%05%0.053CC..Hα-helixtrans-65.1-26.6179.400000114.2F78 V363 Q364 I425 S426 C432F78-A429 HydrophobicContact CE1-CB 3.63Å; F78-A429 HydrophobicContact CZ-CB 3.69Å; V363-A429 HydrophobicContact CB-CB 3.81Å; V363-A429 HydrophobicContact CG1-CB 3.63Å; Q364-A429 HydrophobicContact CB-CB 4.48Å; Q364-A429 HydrophobicContact CG-CB 3.62Å; Q364-A429 PolarHBondContact NE2-O 3.35Å; I425-A429 PolarHBondContact O-N 2.77Å; I425-A429 VanDerWaalsContact O-N 3.15Å; S426-A429 PolarHBondContact O-N 3.21Å; A429-C432 PolarHBondContact O-SG 3.41Å
430R94.6Very high94.3Very high9 Ų910.2 Ų10.23%0.0345%0.049CC..Hα-helixtrans-78.9-21.8175.8-67.5168.9-164.6-171.33113K152 F153 Q364 I367 S426 L427 I428K152-R430 WeakPolarHBondContact CA-O 3.08Å; F153-R430 HydrophobicContact CB-CB 4.32Å; F153-R430 HydrophobicContact CB-CG 3.77Å; F153-R430 HydrophobicContact CD2-CG 3.82Å; F153-R430 HydrophobicContact CG-CG 3.84Å; Q364-R430 HydrophobicContact CB-CG 4.37Å; Q364-R430 HydrophobicContact CG-CG 3.96Å; Q364-R430 PolarHBondContact O-NH2 3.12Å; Q364-R430 VanDerWaalsContact O-NH2 3.1Å; I367-R430 PolarHBondContact O-NH2 3.1Å; S426-R430 WeakPolarHBondContact O-CG 3.33Å; S426-R430 PolarHBondContact O-N 3.12Å; S426-R430 PolarHBondContact OG-NH2 3.49Å; L427-R430 PolarHBondContact O-N 3.3Å; I428-R430 VanDerWaalsContact C-N 3.28Å; I428-R430 PolarHBondContact O-N 3.23Å
431D92.6Very high94.2Very high54 Ų5410.6 Ų10.629%0.2895%0.052SC..Hα-helixtrans-109.7-1.5-177.6-76.1-11.7000113.3L427 I428 K474L427-D431 WeakPolarHBondContact O-CB 3.45Å; L427-D431 PolarHBondContact O-N 3.43Å; I428-D431 CarbonylContact O-C 3.53Å; I428-D431 PolarHBondContact O-N 3.22Å; I428-D431 VanDerWaalsContact O-N 3.12Å; D431-K474 VanDerWaalsContact CB-NZ 3.29Å; D431-K474 WeakPolarHBondContact OD2-CE 3.43Å; D431-K474 IonicContact OD2-NZ 2.79Å; D431-K474 PolarHBondContact OD2-NZ 2.75Å
432C94.8Very high94.1Very high0 Ų013.2 Ų13.20%06%0.063CC..  trans-70171.8179.5740000112.3I428 A429 I468 I469 L471I428-C432 PolarHBondContact O-N 2.98Å; A429-C432 PolarHBondContact O-SG 3.41Å; C432-I468 HydrophobicContact CB-CG2 3.86Å; C432-I469 WeakPolarHBondContact CA-O 3.43Å; C432-I469 WeakPolarHBondContact CB-O 3.47Å; C432-L471 HydrophobicContact CB-CD2 3.75Å
433S96.4Very high93.7Very high0 Ų015.4 Ų15.40%09%0.085CC..EExtended strand (participates in β ladder)trans-125.7146.6171.3-42.10000110.3I149 K150 I468 I469 D470I149-S433 CarbonylContact O-C 3.51Å; I149-S433 VanDerWaalsContact O-CA 3.3Å; I149-S433 WeakPolarHBondContact O-CA 3.37Å; K150-S433 WeakPolarHBondContact CD-OG 3.25Å; K150-S433 WeakPolarHBondContact CE-OG 3.12Å; K150-S433 WeakPolarHBondContact CG-OG 3.31Å; K150-S433 PolarHBondContact NZ-OG 3.19Å; S433-I468 WeakPolarHBondContact O-CA 3.27Å; S433-I469 PolarHBondContact N-O 3.37Å; S433-I469 PolarHBondContact O-N 2.86Å; S433-D470 PolarHBondContact OG-OD2 2.83Å
434I98Very high93.2Very high0 Ų021 Ų210%011%0.114CC..EExtended strand (participates in β ladder)trans-97.5127.1172.9-58.6173000107.6E148 I149 P151 L297 I356 L357 I360 I436E148-I434 CarbonylContact C-O 3.49Å; E148-I434 VanDerWaalsContact CA-O 3.31Å; E148-I434 WeakPolarHBondContact CA-O 3.49Å; I149-I434 HydrophobicContact CB-CB 4.44Å; I149-I434 PolarHBondContact N-O 3.38Å; I149-I434 PolarHBondContact O-N 2.99Å; P151-I434 HydrophobicContact CB-CD1 4.23Å; P151-I434 HydrophobicContact CG-CD1 3.96Å; P151-I434 HydrophobicContact CG-CG1 4.19Å; L297-I434 HydrophobicContact CD2-CD1 4.18Å; L297-I434 HydrophobicContact CD2-CG2 4.48Å; I356-I434 HydrophobicContact CD1-CG1 4.4Å; I356-I434 HydrophobicContact CD1-CG2 3.63Å; I356-I434 HydrophobicContact CG1-CG2 4.39Å; L357-I434 HydrophobicContact CD2-CD1 3.88Å; I360-I434 HydrophobicContact CD1-CD1 3.56Å; I360-I434 HydrophobicContact CD1-CG1 3.42Å; I360-I434 VanDerWaalsContact CD1-CG1 3.42Å; I434-I436 HydrophobicContact CG2-CD1 4.34Å; I434-I436 HydrophobicContact CG2-CG1 3.89Å
435M98Very high92.8Very high5 Ų521 Ų213%0.02512%0.115CC..EExtended strand (participates in β ladder)trans-103.8120.6167.7-70.3-63.1-6000108.8A129 T130 V147 E148 C466 A467 I469A129-M435 HydrophobicContact CB-CB 3.94Å; A129-M435 HydrophobicContact CB-CE 4.18Å; A129-M435 HydrophobicContact CB-CG 3.75Å; T130-M435 HydrophobicContact CG2-CE 3.65Å; V147-M435 WeakPolarHBondContact O-CA 3.27Å; E148-M435 HydrophobicContact CB-SD 3.54Å; E148-M435 VanDerWaalsContact CB-SD 3.54Å; E148-M435 HydrophobicContact CG-SD 3.73Å; M435-C466 CarbonylContact O-C 3.53Å; M435-C466 VanDerWaalsContact O-CA 3.26Å; M435-C466 WeakPolarHBondContact O-CA 3.44Å; M435-A467 HydrophobicContact CB-CB 4.27Å; M435-A467 PolarHBondContact N-O 2.96Å; M435-A467 PolarHBondContact O-N 3.06Å; M435-I469 HydrophobicContact CG-CD1 3.64Å; M435-I469 HydrophobicContact CG-CG1 4.05Å; M435-I469 HydrophobicContact CG-CG2 4.1Å; M435-I469 HydrophobicContact SD-CD1 3.97Å
436I98.4Very high92.3Very high2 Ų224.5 Ų24.51%0.0114%0.138CC..EExtended strand (participates in β ladder)trans-111.6117.3173.4-61.4165.2000106.9S146 V147 I149 L293 A296 L297 I434 V438 L464S146-I436 CarbonylContact C-O 3.56Å; S146-I436 VanDerWaalsContact CA-O 3.23Å; S146-I436 WeakPolarHBondContact CA-O 3.43Å; V147-I436 PolarHBondContact N-O 2.98Å; V147-I436 PolarHBondContact O-N 3.11Å; I149-I436 HydrophobicContact CD1-CD1 4.21Å; L293-I436 HydrophobicContact CD2-CB 4.49Å; L293-I436 HydrophobicContact CD2-CD1 3.76Å; L293-I436 HydrophobicContact CD2-CG2 4.35Å; A296-I436 HydrophobicContact CB-CD1 4.36Å; A296-I436 HydrophobicContact CB-CG2 3.62Å; L297-I436 HydrophobicContact CD2-CD1 3.73Å; L297-I436 HydrophobicContact CG-CD1 3.8Å; I434-I436 HydrophobicContact CG2-CD1 4.34Å; I434-I436 HydrophobicContact CG2-CG1 3.89Å; I436-V438 HydrophobicContact CG2-CG1 4.32Å; I436-L464 HydrophobicContact CG2-CD1 3.8Å
437T98.1Very high91.7Very high1 Ų127 Ų271%0.00615%0.152CC..EExtended strand (participates in β ladder)trans-119.6125.2179.8-67.10000109.5A129 M132 T144 L145 S146 S465A129-T437 PolarHBondContact O-OG1 2.84Å; M132-T437 HydrophobicContact CE-CG2 4.39Å; T144-T437 HydrophobicContact CG2-CG2 3.44Å; T144-T437 VanDerWaalsContact CG2-CG2 3.44Å; L145-T437 WeakPolarHBondContact O-CA 3.19Å; S146-T437 WeakPolarHBondContact CB-OG1 3.34Å; S146-T437 WeakPolarHBondContact OG-CG2 3.29Å; S146-T437 PolarHBondContact OG-OG1 3.47Å; T437-S465 PolarHBondContact N-O 2.95Å; T437-S465 PolarHBondContact O-N 3.37Å
438V97.4Very high90.8Very high3 Ų331.9 Ų31.92%0.01818%0.183CC..EExtended strand (participates in β ladder)trans-127.1144.6-179.7-63.10000111.5L145 F246 T292 I436 I452 M462 L463 L464L145-V438 HydrophobicContact CB-CG2 3.94Å; L145-V438 HydrophobicContact CD2-CG2 4.27Å; L145-V438 PolarHBondContact N-O 3.26Å; L145-V438 PolarHBondContact O-N 3.46Å; F246-V438 HydrophobicContact CE1-CG2 4.39Å; F246-V438 HydrophobicContact CE2-CG2 4.41Å; F246-V438 HydrophobicContact CZ-CG2 3.76Å; T292-V438 HydrophobicContact CG2-CG1 4.06Å; T292-V438 HydrophobicContact CG2-CG2 3.89Å; I436-V438 HydrophobicContact CG2-CG1 4.32Å; V438-I452 HydrophobicContact CG1-CD1 4.12Å; V438-M462 HydrophobicContact CB-CB 4.32Å; V438-M462 HydrophobicContact CB-SD 4.25Å; V438-M462 HydrophobicContact CG2-SD 4.19Å; V438-L463 WeakPolarHBondContact CA-O 3.5Å; V438-L464 HydrophobicContact CG1-CD1 3.81Å
439Q95.7Very high90.2Very high23 Ų2334.6 Ų34.611%0.10720%0.202CC..EExtended strand (participates in β ladder)trans-150.6156.8175.7-169.2169.716.400108M132 A140 F141 G142 T144 A441 M462 L463M132-Q439 HydrophobicContact CE-CB 3.62Å; A140-Q439 HydrophobicContact CB-CB 4.26Å; A140-Q439 VanDerWaalsContact CB-CD 3.49Å; A140-Q439 HydrophobicContact CB-CG 3.91Å; F141-Q439 WeakPolarHBondContact O-CG 3.48Å; G142-Q439 PolarHBondContact O-NE2 3.26Å; T144-Q439 VanDerWaalsContact OG1-CD 3.26Å; T144-Q439 PolarHBondContact OG1-NE2 2.65Å; T144-Q439 PolarHBondContact OG1-OE1 3.15Å; Q439-A441 PolarHBondContact O-N 2.92Å; Q439-M462 CarbonylContact O-C 3.43Å; Q439-M462 WeakPolarHBondContact O-CA 3.33Å; Q439-L463 PolarHBondContact N-O 3.42Å; Q439-L463 PolarHBondContact O-N 3.43Å
440R93.1Very high89.8Confident3 Ų335.6 Ų35.61%0.01121%0.209CC..EExtended strand (participates in β ladder)trans-67.1135.3-177.5-65.5154.1170.5-75.6-3.5110.3A140 F141 F246 F247 N265 P460A140-R440 CarbonylContact C-O 3.41Å; A140-R440 WeakPolarHBondContact CA-O 3.49Å; F141-R440 HydrophobicContact CD1-CB 3.85Å; F141-R440 HydrophobicContact CD2-CB 4.3Å; F141-R440 HydrophobicContact CE1-CB 3.53Å; F141-R440 HydrophobicContact CE2-CB 4Å; F141-R440 HydrophobicContact CG-CB 4.24Å; F141-R440 HydrophobicContact CZ-CB 3.61Å; F141-R440 HydrophobicContact CZ-CG 4.39Å; F141-R440 PolarHBondContact N-O 2.91Å; F141-R440 WeakPolarHBondContact O-CB 3.31Å; F141-R440 PolarHBondContact O-N 2.99Å; F246-R440 PolarHBondContact O-NE 3.43Å; F246-R440 PolarHBondContact O-NH2 3.38Å; F247-R440 PolarHBondContact O-NH2 2.94Å; N265-R440 VanDerWaalsContact CG-NH2 3.33Å; N265-R440 PolarHBondContact ND2-NH1 3.18Å; N265-R440 PolarHBondContact ND2-NH2 3.12Å; N265-R440 VanDerWaalsContact OD1-CZ 3.28Å; N265-R440 PolarHBondContact OD1-NH1 3.21Å; N265-R440 PolarHBondContact OD1-NH2 3.25Å; N265-R440 VanDerWaalsContact OD1-NH2 3.14Å; R440-P460 HydrophobicContact CG-CB 4.28Å; R440-P460 HydrophobicContact CG-CG 4.25Å; R440-P460 VanDerWaalsContact NH1-CB 3.29Å
441A91.9Very high89.5Confident8 Ų836.1 Ų36.17%0.06621%0.214CC..EExtended strand (participates in β ladder)trans-83.6130.2176.400000109.5F141 Q439 C445 V451 R461 L463F141-A441 WeakPolarHBondContact CE1-O 3.31Å; Q439-A441 PolarHBondContact O-N 2.92Å; A441-C445 HydrophobicContact CB-CB 4.37Å; A441-V451 HydrophobicContact CB-CG2 4.35Å; A441-R461 HydrophobicContact CB-CB 4.47Å; A441-R461 HydrophobicContact CB-CG 3.96Å; A441-R461 PolarHBondContact N-O 3.06Å; A441-L463 HydrophobicContact CB-CD2 4.48Å; A441-L463 HydrophobicContact CB-CG 3.92Å
442K89.5Confident89.5Confident77 Ų7734 Ų3434%0.33520%0.202SC..PPolyproline II helixtrans-59.4152169.7-67-179.5-178.7174.70110.6E138 Y139 A140 F141 D444 C445E138-K442 WeakPolarHBondContact O-CD 3.26Å; E138-K442 VanDerWaalsContact O-CE 3.27Å; E138-K442 WeakPolarHBondContact O-CE 3.38Å; E138-K442 PolarHBondContact O-NZ 3.11Å; Y139-K442 WeakPolarHBondContact O-CG 3.33Å; Y139-K442 PolarHBondContact O-N 3.16Å; A140-K442 WeakPolarHBondContact O-CE 3.36Å; F141-K442 HydrophobicContact CB-CG 4.45Å; F141-K442 HydrophobicContact CD1-CG 3.88Å; K442-D444 WeakPolarHBondContact CB-OD1 3.11Å; K442-D444 PolarHBondContact O-N 2.91Å; K442-C445 VanDerWaalsContact O-CB 3.31Å; K442-C445 WeakPolarHBondContact O-CB 3.43Å; K442-C445 PolarHBondContact O-N 3.05Å; K442-C445 VanDerWaalsContact O-N 3.15Å
443P83.3Confident89Confident121 Ų12137 Ų3779%0.78622%0.223SC*.THydrogen-bonded Turntrans-55.5-37.9-177.5-26.435.3000113.8C445 R461P443-C445 VanDerWaalsContact C-N 3.32Å; P443-C445 PolarHBondContact O-N 3.3Å; P443-R461 PolarHBondContact O-NH1 3.5Å
444D81.8Confident88.2Confident117 Ų11738 Ų3863%0.62623%0.234SC*.THydrogen-bonded Turntrans-81.40-177.365.7-27000114.6K442 P446K442-D444 WeakPolarHBondContact CB-OD1 3.11Å; K442-D444 PolarHBondContact O-N 2.91Å; D444-P446 VanDerWaalsContact O-CD 3.28Å; D444-P446 WeakPolarHBondContact O-CD 3.39Å; D444-P446 VanDerWaalsContact O-N 3.13Å
445C82.8Confident87.1Confident7 Ų744.1 Ų44.15%0.04727%0.271CS..  trans-57.6117.8-179175.90000111.5Y139 A441 K442 P443 L447 R461Y139-C445 HydrophobicContact CD1-CB 4.49Å; Y139-C445 HydrophobicContact CG-CB 4.47Å; A441-C445 HydrophobicContact CB-CB 4.37Å; K442-C445 VanDerWaalsContact O-CB 3.31Å; K442-C445 WeakPolarHBondContact O-CB 3.43Å; K442-C445 PolarHBondContact O-N 3.05Å; K442-C445 VanDerWaalsContact O-N 3.15Å; P443-C445 VanDerWaalsContact C-N 3.32Å; P443-C445 PolarHBondContact O-N 3.3Å; C445-L447 VanDerWaalsContact C-N 3.3Å; C445-L447 PolarHBondContact O-N 2.83Å; C445-R461 PolarHBondContact O-NH2 2.94Å
446P81.3Confident86.3Confident80 Ų8044.4 Ų44.452%0.51927%0.273SS..  trans-87.15-174.435.4-35.9000113.4Y139 D444 P448Y139-P446 VanDerWaalsContact CE1-CD 3.45Å; Y139-P446 HydrophobicContact CE1-CG 4.03Å; D444-P446 VanDerWaalsContact O-CD 3.28Å; D444-P446 WeakPolarHBondContact O-CD 3.39Å; D444-P446 VanDerWaalsContact O-N 3.13Å; P446-P448 VanDerWaalsContact C-CD 3.5Å; P446-P448 WeakPolarHBondContact O-CD 3.36Å
447L79.3Confident85.3Confident53 Ų5346.5 Ų46.528%0.27729%0.288SS..  trans-104.182.1-168.3-61.3175.3000112.1L136 Y139 C445 S449 S450 V451L136-L447 HydrophobicContact CD2-CD1 3.38Å; Y139-L447 HydrophobicContact CD2-CD1 3.79Å; Y139-L447 HydrophobicContact CE2-CD1 3.77Å; Y139-L447 HydrophobicContact CE2-CG 4.45Å; C445-L447 VanDerWaalsContact C-N 3.3Å; C445-L447 PolarHBondContact O-N 2.83Å; L447-S449 VanDerWaalsContact C-N 3.26Å; L447-S449 PolarHBondContact O-N 2.88Å; L447-S450 PolarHBondContact O-N 3.44Å; L447-V451 VanDerWaalsContact O-CG2 3.26Å; L447-V451 WeakPolarHBondContact O-CG2 3.43Å
448P74.6Confident84.5Confident104 Ų10446.4 Ų46.468%0.67529%0.287SS*.G310 helixtrans-64.3-30.7179.926.2-35.1000112.7P446 S450 V451P446-P448 VanDerWaalsContact C-CD 3.5Å; P446-P448 WeakPolarHBondContact O-CD 3.36Å; P448-S450 PolarHBondContact O-N 3.31Å; P448-V451 PolarHBondContact O-N 2.68Å
449S79.3Confident84.1Confident59 Ų5946.6 Ų46.641%0.41329%0.288SS..G310 helixtrans-69.6-17-176.360.60000114.2H299 L447H299-S449 PolarHBondContact NE2-O 2.82Å; L447-S449 VanDerWaalsContact C-N 3.26Å; L447-S449 PolarHBondContact O-N 2.88Å
450S84Confident83.7Confident22 Ų2246 Ų4615%0.15429%0.286CS..G310 helixtrans-116.222.6-179.4-58.90000111.9L447 P448 L463 L464L447-S450 PolarHBondContact O-N 3.44Å; P448-S450 PolarHBondContact O-N 3.31Å; S450-L463 CarbonylContact O-C 3.57Å; S450-L463 VanDerWaalsContact O-CA 3.31Å; S450-L463 WeakPolarHBondContact O-CA 3.29Å; S450-L464 PolarHBondContact O-N 2.91Å
451V89.8Confident83.5Confident20 Ų2050 Ų5012%0.12130%0.301CS..EExtended strand (participates in β ladder)trans-121.7134-178.2169.40000110.6A441 L447 P448 R461 M462 L463A441-V451 HydrophobicContact CB-CG2 4.35Å; L447-V451 VanDerWaalsContact O-CG2 3.26Å; L447-V451 WeakPolarHBondContact O-CG2 3.43Å; P448-V451 PolarHBondContact O-N 2.68Å; V451-R461 HydrophobicContact CG1-CG 3.38Å; V451-M462 CarbonylContact C-O 3.48Å; V451-M462 VanDerWaalsContact CA-O 3.29Å; V451-M462 WeakPolarHBondContact CA-O 3.31Å; V451-L463 HydrophobicContact CG2-CD2 3.92Å
452I91.9Very high83.6Confident8 Ų849.7 Ų49.74%0.04130%0.298CS..EExtended strand (participates in β ladder)trans-114.5145.9166.160.8174.4000110T292 K295 A296 V438 M462 L464T292-I452 HydrophobicContact CG2-CD1 4.32Å; K295-I452 HydrophobicContact CB-CB 4.48Å; K295-I452 HydrophobicContact CB-CD1 4.44Å; K295-I452 HydrophobicContact CB-CG2 4.45Å; A296-I452 HydrophobicContact CB-CD1 4.35Å; V438-I452 HydrophobicContact CG1-CD1 4.12Å; I452-M462 HydrophobicContact CD1-CE 3.98Å; I452-M462 HydrophobicContact CG1-CB 4.05Å; I452-M462 HydrophobicContact CG1-CE 4.1Å; I452-M462 PolarHBondContact N-O 2.94Å; I452-M462 PolarHBondContact O-N 2.88Å; I452-L464 HydrophobicContact CG1-CB 4.48Å; I452-L464 HydrophobicContact CG2-CB 4.37Å; I452-L464 HydrophobicContact CG2-CD2 3.73Å
453S85.2Confident83.9Confident65 Ų6546 Ų4646%0.45528%0.282SS..  trans-143.5155.3177.5600000111K295K295-S453 WeakPolarHBondContact CD-O 3.24Å; K295-S453 WeakPolarHBondContact CE-O 3.34Å; K295-S453 PolarHBondContact NZ-O 3.21Å
454G78.1Confident84.5Confident21 Ų2140.3 Ų40.322%0.21625%0.245CC..  trans-93.3160.9170.900000112.9C456G454-C456 VanDerWaalsContact C-N 3.28Å
455T75.8Confident85.1Confident128 Ų12835.1 Ų35.179%0.78522%0.218SC*.SBendtrans-74.1-24.6165.245.60000111.8Q280Q280-T455 PolarHBondContact NE2-OG1 3.11Å
456C81.3Confident85.8Confident10 Ų1035 Ų357%0.06822%0.217CC..SBendtrans-98.9137.9178-177.80000109.7C273 F281 G454 C458 I459C273-C456 PolarHBondContact SG-SG 3.29Å; F281-C456 HydrophobicContact CD2-CB 4.47Å; F281-C456 HydrophobicContact CE2-CB 3.98Å; G454-C456 VanDerWaalsContact C-N 3.28Å; C456-C458 PolarHBondContact O-N 3.43Å; C456-I459 PolarHBondContact O-N 2.87Å
457C77.9Confident86.4Confident46 Ų4631.2 Ų31.231%0.31119%0.193SC..THydrogen-bonded Turntrans-57.3-24.1179.860.90000113.7N265 G266 C273 C275 I459N265-C457 CarbonylContact O-C 3.47Å; G266-C457 PolarHBondContact O-SG 2.91Å; C273-C457 VanDerWaalsContact SG-SG 3.62Å; C275-C457 PolarHBondContact SG-SG 2.93Å; C457-I459 PolarHBondContact O-N 3.28Å; C457-I459 VanDerWaalsContact O-N 3.08Å
458C80.6Confident87.1Confident0 Ų029 Ų290%018%0.181CC..THydrogen-bonded Turntrans-57.4-18.3173.4-83.40000115F267 C273 C279 F281 R287 C456F267-C458 HydrophobicContact CE1-CB 4.19Å; F267-C458 WeakPolarHBondContact CE1-SG 3.09Å; F267-C458 HydrophobicContact CZ-CB 3.79Å; F267-C458 VanDerWaalsContact CZ-SG 3.57Å; C273-C458 WeakPolarHBondContact CB-SG 3.4Å; C273-C458 WeakPolarHBondContact SG-CB 3.35Å; C273-C458 CovalentContact SG-SG 2.05Å; C273-C458 PolarHBondContact SG-SG 3.25Å; C279-C458 PolarHBondContact SG-SG 3.47Å; F281-C458 HydrophobicContact CD2-CB 4.27Å; R287-C458 PolarHBondContact NH2-SG 3.06Å; R287-C458 VanDerWaalsContact NH2-SG 3.41Å; C456-C458 PolarHBondContact O-N 3.43Å
459I88.2Confident87.9Confident6 Ų626.3 Ų26.33%0.03116%0.161CC..SBendtrans-112.8106.4175.6-56.8-60.6000108F247 F281 R287 C456 C457 M462F247-I459 HydrophobicContact CE1-CD1 4.25Å; F281-I459 HydrophobicContact CD2-CD1 4.4Å; F281-I459 HydrophobicContact CD2-CG1 4.23Å; F281-I459 HydrophobicContact CE2-CD1 3.9Å; F281-I459 HydrophobicContact CE2-CG1 3.35Å; F281-I459 HydrophobicContact CZ-CD1 3.98Å; F281-I459 HydrophobicContact CZ-CG1 3.52Å; R287-I459 HydrophobicContact CB-CD1 3.67Å; R287-I459 HydrophobicContact CG-CD1 3.91Å; C456-I459 PolarHBondContact O-N 2.87Å; C457-I459 PolarHBondContact O-N 3.28Å; C457-I459 VanDerWaalsContact O-N 3.08Å; I459-M462 HydrophobicContact CG2-CE 3.67Å
460P87.5Confident88.3Confident10 Ų1025.9 Ų25.97%0.06515%0.154CC..  trans-63.4163.5178.625.2-33.1000111.8N265 R440 M462N265-P460 WeakPolarHBondContact OD1-CB 3.43Å; R440-P460 HydrophobicContact CG-CB 4.28Å; R440-P460 HydrophobicContact CG-CG 4.25Å; R440-P460 VanDerWaalsContact NH1-CB 3.29Å; P460-M462 HydrophobicContact CB-CG 4.49Å; P460-M462 HydrophobicContact CG-CG 3.93Å; P460-M462 HydrophobicContact CG-SD 4.21Å; P460-M462 PolarHBondContact O-N 3.36Å
461R90.3Very high88.5Confident89 Ų8925.6 Ų25.634%0.33615%0.15SC..  trans-65.1119.2162.6-168.6-174.9165.8-163.2-3.6108A441 P443 C445 V451A441-R461 HydrophobicContact CB-CB 4.47Å; A441-R461 HydrophobicContact CB-CG 3.96Å; A441-R461 PolarHBondContact N-O 3.06Å; P443-R461 PolarHBondContact O-NH1 3.5Å; C445-R461 PolarHBondContact O-NH2 2.94Å; V451-R461 HydrophobicContact CG1-CG 3.38Å
462M93.9Very high88.1Confident0 Ų027.2 Ų27.20%016%0.158CC..EExtended strand (participates in β ladder)trans-122.1132.1-175.7-66.3175.7-68.400110.3F246 T292 V438 Q439 V451 I452 I459 P460F246-M462 HydrophobicContact CE1-SD 3.69Å; F246-M462 HydrophobicContact CZ-CG 4.48Å; F246-M462 HydrophobicContact CZ-SD 3.7Å; T292-M462 HydrophobicContact CG2-CE 4.03Å; T292-M462 HydrophobicContact CG2-SD 4.42Å; V438-M462 HydrophobicContact CB-CB 4.32Å; V438-M462 HydrophobicContact CB-SD 4.25Å; V438-M462 HydrophobicContact CG2-SD 4.19Å; Q439-M462 CarbonylContact O-C 3.43Å; Q439-M462 WeakPolarHBondContact O-CA 3.33Å; V451-M462 CarbonylContact C-O 3.48Å; V451-M462 VanDerWaalsContact CA-O 3.29Å; V451-M462 WeakPolarHBondContact CA-O 3.31Å; I452-M462 HydrophobicContact CD1-CE 3.98Å; I452-M462 HydrophobicContact CG1-CB 4.05Å; I452-M462 HydrophobicContact CG1-CE 4.1Å; I452-M462 PolarHBondContact N-O 2.94Å; I452-M462 PolarHBondContact O-N 2.88Å; I459-M462 HydrophobicContact CG2-CE 3.67Å; P460-M462 HydrophobicContact CB-CG 4.49Å; P460-M462 HydrophobicContact CG-CG 3.93Å; P460-M462 HydrophobicContact CG-SD 4.21Å; P460-M462 PolarHBondContact O-N 3.36Å
463L95.3Very high87.6Confident0 Ų028.9 Ų28.90%017%0.17CC..EExtended strand (participates in β ladder)trans-63142159.5-73.8168.9000109.3M132 Y139 A140 V438 Q439 A441 S450 V451M132-L463 HydrophobicContact CE-CB 3.7Å; M132-L463 HydrophobicContact SD-CB 4.29Å; Y139-L463 WeakPolarHBondContact O-CD1 3.08Å; A140-L463 HydrophobicContact CB-CD1 3.57Å; V438-L463 WeakPolarHBondContact CA-O 3.5Å; Q439-L463 PolarHBondContact N-O 3.42Å; Q439-L463 PolarHBondContact O-N 3.43Å; A441-L463 HydrophobicContact CB-CD2 4.48Å; A441-L463 HydrophobicContact CB-CG 3.92Å; S450-L463 CarbonylContact O-C 3.57Å; S450-L463 VanDerWaalsContact O-CA 3.31Å; S450-L463 WeakPolarHBondContact O-CA 3.29Å; V451-L463 HydrophobicContact CG2-CD2 3.92Å
464L95.9Very high87.5Confident1 Ų127.6 Ų27.61%0.00516%0.156CC..EExtended strand (participates in β ladder)trans-125.7127.7-178173.364.9000109.3A296 H299 F301 I436 V438 S450 I452A296-L464 HydrophobicContact CB-CD1 3.61Å; A296-L464 HydrophobicContact CB-CD2 4.09Å; H299-L464 HydrophobicContact CB-CD2 3.74Å; F301-L464 HydrophobicContact CE2-CD2 4.34Å; F301-L464 HydrophobicContact CZ-CD2 3.7Å; F301-L464 HydrophobicContact CZ-CG 4.03Å; I436-L464 HydrophobicContact CG2-CD1 3.8Å; V438-L464 HydrophobicContact CG1-CD1 3.81Å; S450-L464 PolarHBondContact O-N 2.91Å; I452-L464 HydrophobicContact CG1-CB 4.48Å; I452-L464 HydrophobicContact CG2-CB 4.37Å; I452-L464 HydrophobicContact CG2-CD2 3.73Å
465S95.1Very high87.9Confident9 Ų929.3 Ų29.36%0.06316%0.163CC..EExtended strand (participates in β ladder)trans-126126.4165.3-166.20000109.8R84 P133 T437R84-S465 PolarHBondContact NH2-OG 3.41Å; P133-S465 VanDerWaalsContact CG-OG 3.23Å; P133-S465 WeakPolarHBondContact CG-OG 3.16Å; T437-S465 PolarHBondContact N-O 2.95Å; T437-S465 PolarHBondContact O-N 3.37Å
466C96Very high88.6Confident3 Ų323.9 Ų23.92%0.0213%0.129CC..EExtended strand (participates in β ladder)trans-110.6137.9174-71.90000109.6F82 F301 I356 M435F82-C466 HydrophobicContact CD1-CB 3.88Å; F82-C466 HydrophobicContact CE1-CB 3.87Å; F301-C466 HydrophobicContact CE2-CB 4.2Å; F301-C466 HydrophobicContact CZ-CB 3.99Å; I356-C466 HydrophobicContact CD1-CB 3.78Å; M435-C466 CarbonylContact O-C 3.53Å; M435-C466 VanDerWaalsContact O-CA 3.26Å; M435-C466 WeakPolarHBondContact O-CA 3.44Å
467A94.7Very high88.9Confident1 Ų127.1 Ų27.11%0.00815%0.146CC..EExtended strand (participates in β ladder)trans-137.2148.9173.100000111.2F82 R84 A129 M435F82-A467 CarbonylContact O-C 3.51Å; F82-A467 VanDerWaalsContact O-CA 3.28Å; F82-A467 WeakPolarHBondContact O-CA 3.43Å; R84-A467 HydrophobicContact CG-CB 4.22Å; A129-A467 HydrophobicContact CB-CB 4.5Å; M435-A467 HydrophobicContact CB-CB 4.27Å; M435-A467 PolarHBondContact N-O 2.96Å; M435-A467 PolarHBondContact O-N 3.06Å
468I94.8Very high89.4Confident6 Ų628.6 Ų28.63%0.03115%0.147CC..EExtended strand (participates in β ladder)trans-105.8123.7172.1-57166000107.8F78 F82 I356 I360 C432 S433 L471F78-I468 HydrophobicContact CB-CD1 3.91Å; F78-I468 HydrophobicContact CD1-CD1 3.78Å; F78-I468 HydrophobicContact CD1-CG2 4.42Å; F78-I468 HydrophobicContact CG-CD1 4.22Å; F82-I468 HydrophobicContact CB-CD1 3.76Å; F82-I468 HydrophobicContact CB-CG1 3.93Å; F82-I468 HydrophobicContact CD2-CD1 4.41Å; F82-I468 HydrophobicContact CG-CD1 4.24Å; F82-I468 PolarHBondContact O-N 2.74Å; I356-I468 HydrophobicContact CD1-CD1 4.3Å; I356-I468 HydrophobicContact CD1-CG1 3.72Å; I356-I468 HydrophobicContact CG1-CD1 4.13Å; I356-I468 HydrophobicContact CG1-CG1 4.06Å; I360-I468 HydrophobicContact CD1-CD1 3.97Å; I360-I468 HydrophobicContact CD1-CG1 4.07Å; I360-I468 HydrophobicContact CG1-CD1 3.68Å; I360-I468 HydrophobicContact CG1-CG1 4.31Å; C432-I468 HydrophobicContact CB-CG2 3.86Å; S433-I468 WeakPolarHBondContact O-CA 3.27Å; I468-L471 HydrophobicContact CB-CD1 4.18Å; I468-L471 HydrophobicContact CG2-CD1 3.88Å; I468-L471 HydrophobicContact CG2-CD2 3.64Å; I468-L471 HydrophobicContact CG2-CG 3.94Å
469I91.3Very high89.9Confident49 Ų4928.6 Ų28.625%0.25115%0.147SC..EExtended strand (participates in β ladder)trans-120.5177.8-17967.5170.5000110.5A129 C432 S433 M435 L471A129-I469 HydrophobicContact CB-CG2 4.48Å; C432-I469 WeakPolarHBondContact CA-O 3.43Å; C432-I469 WeakPolarHBondContact CB-O 3.47Å; S433-I469 PolarHBondContact N-O 3.37Å; S433-I469 PolarHBondContact O-N 2.86Å; M435-I469 HydrophobicContact CG-CD1 3.64Å; M435-I469 HydrophobicContact CG-CG1 4.05Å; M435-I469 HydrophobicContact CG-CG2 4.1Å; M435-I469 HydrophobicContact SD-CD1 3.97Å; I469-L471 VanDerWaalsContact C-N 3.31Å; I469-L471 PolarHBondContact O-N 3.26Å
470D87.3Confident90.2Very high50 Ų5034.6 Ų34.627%0.26717%0.169SC..  trans61.335-175.8-63-31.5000114K150 S433 D472K150-D470 IonicContact NZ-OD2 3.58Å; K150-D470 PolarHBondContact NZ-OD2 2.76Å; S433-D470 PolarHBondContact OG-OD2 2.83Å; D470-D472 VanDerWaalsContact C-N 3.26Å; D470-D472 PolarHBondContact O-N 3.41Å
471L87.9Confident90.4Very high16 Ų1637.6 Ų37.68%0.08419%0.185CC..  trans-87.430.7-177.7-61.9176.2000114.3L75 F78 L83 I428 C432 I468 I469L75-L471 HydrophobicContact CD2-CB 3.38Å; L75-L471 HydrophobicContact CD2-CD1 3.53Å; L75-L471 HydrophobicContact CD2-CG 4.02Å; F78-L471 HydrophobicContact CD2-CD1 4.41Å; F78-L471 HydrophobicContact CD2-CD2 4.34Å; F78-L471 HydrophobicContact CE1-CD2 4.01Å; F78-L471 HydrophobicContact CE2-CD2 3.79Å; F78-L471 HydrophobicContact CZ-CD2 3.59Å; L83-L471 HydrophobicContact CD2-CD1 3.54Å; I428-L471 HydrophobicContact CG2-CB 4.11Å; I428-L471 HydrophobicContact CG2-CD2 3.66Å; C432-L471 HydrophobicContact CB-CD2 3.75Å; I468-L471 HydrophobicContact CB-CD1 4.18Å; I468-L471 HydrophobicContact CG2-CD1 3.88Å; I468-L471 HydrophobicContact CG2-CD2 3.64Å; I468-L471 HydrophobicContact CG2-CG 3.94Å; I469-L471 VanDerWaalsContact C-N 3.31Å; I469-L471 PolarHBondContact O-N 3.26Å
472D81.3Confident90.5Very high53 Ų5334.3 Ų34.328%0.28317%0.172SC..PPolyproline II helixtrans-71.3139.5-178.9-55.1-40.9000111R46 D470R46-D472 IonicContact CZ-OD1 3.33Å; R46-D472 IonicContact CZ-OD2 3.65Å; R46-D472 IonicContact NH1-OD1 2.76Å; R46-D472 PolarHBondContact NH1-OD1 3.29Å; R46-D472 IonicContact NH1-OD2 3.06Å; R46-D472 VanDerWaalsContact NH2-CG 3.29Å; R46-D472 IonicContact NH2-OD1 3.42Å; R46-D472 PolarHBondContact NH2-OD1 2.97Å; R46-D472 IonicContact NH2-OD2 2.72Å; R46-D472 PolarHBondContact NH2-OD2 3.31Å; D470-D472 VanDerWaalsContact C-N 3.26Å; D470-D472 PolarHBondContact O-N 3.41Å
473P81.3Confident90.5Very high44 Ų4435.6 Ų35.629%0.28618%0.179SC..PPolyproline II helixtrans-51.3140.9175.6-23.826.7000112.1N71N71-P473 VanDerWaalsContact ND2-CD 3.33Å; N71-P473 WeakPolarHBondContact ND2-CD 3.26Å; N71-P473 WeakPolarHBondContact OD1-CD 3.3Å; N71-P473 WeakPolarHBondContact OD1-CG 3.38Å
474K84.1Confident90.4Very high38 Ų3839.9 Ų39.917%0.16520%0.202CC..PPolyproline II helixtrans-88.6131.1168.9-53.6-56.5175.5172.80108.6L424 L427 I428 D431 K478L424-K474 HydrophobicContact CD2-CB 3.84Å; L427-K474 HydrophobicContact CB-CG 3.97Å; I428-K474 HydrophobicContact CG1-CG 3.95Å; D431-K474 VanDerWaalsContact CB-NZ 3.29Å; D431-K474 WeakPolarHBondContact OD2-CE 3.43Å; D431-K474 IonicContact OD2-NZ 2.79Å; D431-K474 PolarHBondContact OD2-NZ 2.75Å; K474-K478 HydrophobicContact CB-CB 4.47Å; K474-K478 HydrophobicContact CB-CG 4.49Å
475P84.8Confident90.3Very high56 Ų5642.7 Ų42.736%0.36422%0.217SC..PPolyproline II helixtrans-67.7151.8175.328.6-33.8000110D477 K478P475-D477 PolarHBondContact O-N 3Å; P475-K478 HydrophobicContact CG-CB 4.22Å; P475-K478 WeakPolarHBondContact O-CB 3.49Å; P475-K478 PolarHBondContact O-N 2.79Å
476L90.6Very high90.2Very high14 Ų1442.6 Ų42.67%0.07322%0.215CC..THydrogen-bonded Turntrans-55.4-39.3-179.2-178.961.9000112.7Y378 V381 L385 W392 V420 L424 K478 L479Y378-L476 HydrophobicContact CD2-CD1 3.75Å; Y378-L476 HydrophobicContact CD2-CG 4.1Å; Y378-L476 HydrophobicContact CE2-CD1 4.06Å; Y378-L476 HydrophobicContact CE2-CG 3.88Å; Y378-L476 WeakPolarHBondContact CE2-O 3.08Å; V381-L476 HydrophobicContact CG1-CD1 4.44Å; V381-L476 HydrophobicContact CG1-CD2 4.21Å; L385-L476 HydrophobicContact CD1-CD2 3.76Å; W392-L476 HydrophobicContact CB-CB 3.79Å; W392-L476 HydrophobicContact CB-CD2 4.23Å; W392-L476 HydrophobicContact CD2-CB 4.3Å; W392-L476 HydrophobicContact CD2-CD1 4.46Å; W392-L476 HydrophobicContact CE3-CD1 4.28Å; W392-L476 HydrophobicContact CE3-CD2 4.19Å; W392-L476 HydrophobicContact CG-CB 3.87Å; V420-L476 HydrophobicContact CG1-CD1 3.54Å; L424-L476 HydrophobicContact CD1-CD1 4.36Å; L476-K478 PolarHBondContact O-N 3.17Å; L476-L479 PolarHBondContact O-N 3.12Å
477D88.4Confident90.1Very high78 Ų7844.9 Ų44.942%0.41723%0.229SC..THydrogen-bonded Turntrans-61.8-16.6178-72.1-26.3000113.9P475 L479 R480P475-D477 PolarHBondContact O-N 3Å; D477-L479 PolarHBondContact O-N 3.11Å; D477-R480 PolarHBondContact O-N 3.25Å
478K87.6Confident90Very high77 Ų7747 Ų4734%0.33525%0.246SC..Hα-helixtrans-61.5-26.5178.1-168.259.7177173.20112.7K474 P475 L476 R480 D481 R482K474-K478 HydrophobicContact CB-CB 4.47Å; K474-K478 HydrophobicContact CB-CG 4.49Å; P475-K478 HydrophobicContact CG-CB 4.22Å; P475-K478 WeakPolarHBondContact O-CB 3.49Å; P475-K478 PolarHBondContact O-N 2.79Å; L476-K478 PolarHBondContact O-N 3.17Å; K478-R480 VanDerWaalsContact C-N 3.31Å; K478-R480 PolarHBondContact O-N 2.96Å; K478-D481 PolarHBondContact O-N 2.75Å; K478-R482 VanDerWaalsContact O-CB 3.24Å; K478-R482 WeakPolarHBondContact O-CB 3.21Å; K478-R482 PolarHBondContact O-N 3.39Å
479L92.6Very high90Very high0 Ų046.7 Ų46.70%025%0.245CC..Hα-helixtrans-63.1-37.7179.1-86.673.9000111.8I371 I374 Y378 V420 Y423 L424 L476 D477 R482 L483I371-L479 WeakPolarHBondContact CD1-O 3.32Å; I374-L479 HydrophobicContact CG2-CD2 3.85Å; Y378-L479 HydrophobicContact CD2-CB 3.9Å; Y378-L479 HydrophobicContact CD2-CD2 4.03Å; Y378-L479 HydrophobicContact CD2-CG 4.47Å; Y378-L479 HydrophobicContact CE2-CB 4.27Å; Y378-L479 HydrophobicContact CG-CB 4.2Å; Y378-L479 HydrophobicContact CG-CD2 4.15Å; V420-L479 HydrophobicContact CG1-CD2 4.49Å; Y423-L479 HydrophobicContact CD1-CD1 4.28Å; Y423-L479 HydrophobicContact CD1-CD2 3.99Å; Y423-L479 HydrophobicContact CD1-CG 3.94Å; Y423-L479 HydrophobicContact CE1-CG 4.13Å; L424-L479 HydrophobicContact CD2-CD1 3.25Å; L424-L479 HydrophobicContact CG-CD1 3.79Å; L476-L479 PolarHBondContact O-N 3.12Å; D477-L479 PolarHBondContact O-N 3.11Å; L479-R482 PolarHBondContact O-N 3.28Å; L479-L483 PolarHBondContact O-N 3.22Å
480R93.7Very high90.1Very high132 Ų13244.4 Ų44.450%0.49823%0.233SC..Hα-helixtrans-65.1-54.3177.5-170.6178.9-165.3175.16.8111.2F375 D477 K478 R482 L483 D484F375-R480 HydrophobicContact CE2-CB 4.35Å; F375-R480 HydrophobicContact CE2-CG 4.44Å; F375-R480 HydrophobicContact CZ-CG 4.48Å; D477-R480 PolarHBondContact O-N 3.25Å; K478-R480 VanDerWaalsContact C-N 3.31Å; K478-R480 PolarHBondContact O-N 2.96Å; R480-R482 PolarHBondContact O-N 3.05Å; R480-R482 VanDerWaalsContact O-N 3.09Å; R480-L483 PolarHBondContact O-N 2.04Å; R480-L483 VanDerWaalsContact O-N 3.12Å; R480-D484 PolarHBondContact O-N 3.15Å
481D91.3Very high90.3Very high73 Ų7346.5 Ų46.539%0.3924%0.243SC..Hα-helixtrans-54.8-33.4177.3-61.5-13.1000111.9K478 L485K478-D481 PolarHBondContact O-N 2.75Å; D481-L485 WeakPolarHBondContact O-CB 3.43Å; D481-L485 PolarHBondContact O-N 3.43Å; D481-L485 VanDerWaalsContact O-N 3.17Å
482R92.9Very high90.5Very high21 Ų2147.3 Ų47.38%0.07925%0.246CC..Hα-helixtrans-74-41.7-178.4-17367.7-179.3-136-4.5112.1I371 L427 K478 L479 R480 L485 E486I371-R482 HydrophobicContact CD1-CB 3.46Å; I371-R482 VanDerWaalsContact CD1-CB 3.46Å; I371-R482 HydrophobicContact CD1-CG 3.43Å; I371-R482 VanDerWaalsContact CD1-CG 3.43Å; L427-R482 HydrophobicContact CD2-CG 4.47Å; K478-R482 VanDerWaalsContact O-CB 3.24Å; K478-R482 WeakPolarHBondContact O-CB 3.21Å; K478-R482 PolarHBondContact O-N 3.39Å; L479-R482 PolarHBondContact O-N 3.28Å; R480-R482 PolarHBondContact O-N 3.05Å; R480-R482 VanDerWaalsContact O-N 3.09Å; R482-L485 PolarHBondContact O-N 2.96Å; R482-E486 HydrophobicContact CG-CG 4.46Å; R482-E486 IonicContact CZ-OE1 3.72Å; R482-E486 VanDerWaalsContact CZ-OE1 3.27Å; R482-E486 IonicContact NE-OE1 3.21Å; R482-E486 PolarHBondContact NE-OE1 2.94Å; R482-E486 IonicContact NH2-OE1 3.94Å; R482-E486 PolarHBondContact NH2-OE1 3.45Å; R482-E486 WeakPolarHBondContact O-CB 3.44Å; R482-E486 WeakPolarHBondContact O-CG 3.31Å; R482-E486 PolarHBondContact O-N 3.08Å
483L93.7Very high91Very high26 Ų2644.8 Ų44.814%0.13623%0.232CC..Hα-helixtrans-62.4-48.2177.917464.1000110.4I371 F375 L479 R480 L485 E486 T487I371-L483 HydrophobicContact CD1-CB 4.1Å; I371-L483 HydrophobicContact CG1-CB 4.28Å; I371-L483 HydrophobicContact CG2-CB 4.43Å; I371-L483 HydrophobicContact CG2-CD1 3.8Å; F375-L483 HydrophobicContact CB-CD2 4.14Å; F375-L483 HydrophobicContact CD1-CD2 3.69Å; F375-L483 HydrophobicContact CD2-CD2 3.69Å; F375-L483 HydrophobicContact CE1-CD2 3.88Å; F375-L483 HydrophobicContact CE2-CD2 3.91Å; F375-L483 HydrophobicContact CG-CD2 3.58Å; F375-L483 HydrophobicContact CZ-CD2 4Å; L479-L483 PolarHBondContact O-N 3.22Å; R480-L483 PolarHBondContact O-N 2.04Å; R480-L483 VanDerWaalsContact O-N 3.12Å; L483-L485 VanDerWaalsContact C-N 3.34Å; L483-L485 PolarHBondContact O-N 3.03Å; L483-E486 PolarHBondContact O-N 2.75Å; L483-T487 WeakPolarHBondContact O-CB 3.08Å; L483-T487 PolarHBondContact O-N 3.06Å; L483-T487 PolarHBondContact O-OG1 3.41Å
484D93.7Very high91.3Very high91 Ų9143.3 Ų43.349%0.48722%0.222SC..Hα-helixtrans-60.4-46-179.5-63.4-20000110.5R480 T487 A488R480-D484 PolarHBondContact O-N 3.15Å; D484-T487 PolarHBondContact O-N 2.91Å; D484-A488 WeakPolarHBondContact O-CB 2.91Å; D484-A488 PolarHBondContact O-N 2.62Å
485L92.9Very high91.5Very high59 Ų5948 Ų4831%0.30925%0.249SC..Hα-helixtrans-66.4-45179.7178.759.4000113.3R178 D481 R482 L483 T487 A488 V489R178-L485 VanDerWaalsContact NH2-CD2 3.25Å; D481-L485 WeakPolarHBondContact O-CB 3.43Å; D481-L485 PolarHBondContact O-N 3.43Å; D481-L485 VanDerWaalsContact O-N 3.17Å; R482-L485 PolarHBondContact O-N 2.96Å; L483-L485 VanDerWaalsContact C-N 3.34Å; L483-L485 PolarHBondContact O-N 3.03Å; L485-T487 VanDerWaalsContact C-N 3.3Å; L485-T487 PolarHBondContact O-N 3.06Å; L485-A488 PolarHBondContact O-N 3.27Å; L485-V489 HydrophobicContact CD1-CG2 4.14Å; L485-V489 WeakPolarHBondContact O-CB 3.28Å; L485-V489 WeakPolarHBondContact O-CG2 3.02Å; L485-V489 PolarHBondContact O-N 2.85Å
486E93.7Very high91.6Very high7 Ų750.7 Ų50.73%0.03325%0.252CS..Hα-helixtrans-66.8-35179.2-71.6-170.7-175.800112K169 L174 I371 R482 L483 A490K169-E486 WeakPolarHBondContact CE-OE2 3.29Å; K169-E486 IonicContact NZ-OE2 2.8Å; K169-E486 PolarHBondContact NZ-OE2 2.91Å; L174-E486 HydrophobicContact CD1-CG 3.94Å; L174-E486 HydrophobicContact CD2-CG 3.91Å; L174-E486 WeakPolarHBondContact CD2-OE1 3.22Å; I371-E486 WeakPolarHBondContact CG2-OE2 3.43Å; R482-E486 HydrophobicContact CG-CG 4.46Å; R482-E486 IonicContact CZ-OE1 3.72Å; R482-E486 VanDerWaalsContact CZ-OE1 3.27Å; R482-E486 IonicContact NE-OE1 3.21Å; R482-E486 PolarHBondContact NE-OE1 2.94Å; R482-E486 IonicContact NH2-OE1 3.94Å; R482-E486 PolarHBondContact NH2-OE1 3.45Å; R482-E486 WeakPolarHBondContact O-CB 3.44Å; R482-E486 WeakPolarHBondContact O-CG 3.31Å; R482-E486 PolarHBondContact O-N 3.08Å; L483-E486 PolarHBondContact O-N 2.75Å; E486-A490 WeakPolarHBondContact O-CB 3.36Å; E486-A490 PolarHBondContact O-N 2.79Å
487T93.1Very high91.2Very high52 Ų5252.8 Ų52.832%0.31926%0.261SS..Hα-helixtrans-65.1-48.5174.4-55.80000111V165 L483 D484 L485 V489 A490 M491V165-T487 HydrophobicContact CG1-CG2 4.36Å; L483-T487 WeakPolarHBondContact O-CB 3.08Å; L483-T487 PolarHBondContact O-N 3.06Å; L483-T487 PolarHBondContact O-OG1 3.41Å; D484-T487 PolarHBondContact O-N 2.91Å; L485-T487 VanDerWaalsContact C-N 3.3Å; L485-T487 PolarHBondContact O-N 3.06Å; T487-V489 VanDerWaalsContact C-N 3.35Å; T487-V489 PolarHBondContact O-N 3.43Å; T487-A490 PolarHBondContact O-N 3.14Å; T487-M491 VanDerWaalsContact O-CG 3.3Å; T487-M491 WeakPolarHBondContact O-CG 3.45Å; T487-M491 PolarHBondContact O-N 3.23Å
488A94.1Very high90.5Very high44 Ų4452.7 Ų52.736%0.36426%0.257SS..Hα-helixtrans-60.5-42.9177.800000112.4D484 L485 M491 E492D484-A488 WeakPolarHBondContact O-CB 2.91Å; D484-A488 PolarHBondContact O-N 2.62Å; L485-A488 PolarHBondContact O-N 3.27Å; A488-M491 PolarHBondContact O-N 3.15Å; A488-E492 PolarHBondContact O-N 3.07Å
489V94Very high90Very high1 Ų158 Ų581%0.00628%0.28CS..Hα-helixtrans-60.8-47.5175.9165.10000111.6L174 L177 R178 H181 L485 T487 E492 A493L174-V489 HydrophobicContact CD1-CG1 4.27Å; L177-V489 HydrophobicContact CB-CG1 3.69Å; R178-V489 HydrophobicContact CG-CG1 3.9Å; R178-V489 HydrophobicContact CG-CG2 3.89Å; H181-V489 HydrophobicContact CB-CG2 4.07Å; L485-V489 HydrophobicContact CD1-CG2 4.14Å; L485-V489 WeakPolarHBondContact O-CB 3.28Å; L485-V489 WeakPolarHBondContact O-CG2 3.02Å; L485-V489 PolarHBondContact O-N 2.85Å; T487-V489 VanDerWaalsContact C-N 3.35Å; T487-V489 PolarHBondContact O-N 3.43Å; V489-E492 PolarHBondContact O-N 3.39Å; V489-A493 WeakPolarHBondContact O-CB 3.37Å; V489-A493 PolarHBondContact O-N 3.13Å
490A92.6Very high89.2Confident0 Ų061.8 Ų61.80%030%0.3CS..Hα-helixtrans-63.8-42.9179.600000111.7V165 V168 K169 E486 T487 A493 I494V165-A490 HydrophobicContact CG1-CB 3.92Å; V168-A490 HydrophobicContact CG1-CB 4.41Å; K169-A490 HydrophobicContact CD-CB 4.39Å; K169-A490 HydrophobicContact CG-CB 3.99Å; E486-A490 WeakPolarHBondContact O-CB 3.36Å; E486-A490 PolarHBondContact O-N 2.79Å; T487-A490 PolarHBondContact O-N 3.14Å; A490-A493 PolarHBondContact O-N 2.81Å; A490-I494 VanDerWaalsContact O-CG1 3.29Å; A490-I494 WeakPolarHBondContact O-CG1 3.36Å; A490-I494 PolarHBondContact O-N 3.12Å
491M92.4Very high88.5Confident95 Ų9555.6 Ų55.647%0.46828%0.277SS..Hα-helixtrans-61.9-43.5176.9-71.1-68-83.700112.3V165 T487 A488 I494 N495V165-M491 HydrophobicContact CG2-CG 3.88Å; V165-M491 HydrophobicContact CG2-SD 3.4Å; V165-M491 WeakPolarHBondContact CG2-SD 3.26Å; T487-M491 VanDerWaalsContact O-CG 3.3Å; T487-M491 WeakPolarHBondContact O-CG 3.45Å; T487-M491 PolarHBondContact O-N 3.23Å; A488-M491 PolarHBondContact O-N 3.15Å; M491-I494 PolarHBondContact O-N 2.77Å; M491-I494 HydrophobicContact SD-CD1 4.37Å; M491-N495 PolarHBondContact O-N 3.36Å; M491-N495 PolarHBondContact O-ND2 2.05Å
492E92.6Very high87.8Confident32 Ų3252.6 Ų52.615%0.1526%0.261CS..Hα-helixtrans-68.1-37.5177.2-164.1178.5157.900111.9H181 S182 A488 V489 N495 R496H181-E492 IonicContact CD2-OE2 2.83Å; H181-E492 PolarHBondContact CD2-OE2 3.26Å; H181-E492 IonicContact CG-OE2 3.06Å; H181-E492 IonicContact NE2-OE2 3.75Å; S182-E492 WeakPolarHBondContact CA-OE1 3.38Å; S182-E492 WeakPolarHBondContact CB-OE1 3.47Å; S182-E492 WeakPolarHBondContact CB-OE2 3.19Å; S182-E492 PolarHBondContact N-OE1 3.47Å; S182-E492 PolarHBondContact N-OE2 3.28Å; S182-E492 PolarHBondContact OG-OE2 2.61Å; A488-E492 PolarHBondContact O-N 3.07Å; V489-E492 PolarHBondContact O-N 3.39Å; E492-N495 PolarHBondContact O-N 2.85Å; E492-R496 WeakPolarHBondContact O-CG 3.49Å; E492-R496 PolarHBondContact O-N 3.5Å; E492-R496 IonicContact OE1-CZ 2.96Å; E492-R496 IonicContact OE1-NE 2.61Å; E492-R496 PolarHBondContact OE1-NE 3.26Å; E492-R496 IonicContact OE1-NH2 3.27Å; E492-R496 PolarHBondContact OE1-NH2 2.86Å
493A90.8Very high86.8Confident0 Ų054.4 Ų54.40%028%0.275CS..Hα-helixtrans-64.1-39.8176.200000112.3L177 E180 V489 A490 N495 R496 Q497 L501L177-A493 HydrophobicContact CB-CB 4.46Å; L177-A493 HydrophobicContact CD2-CB 3.59Å; E180-A493 HydrophobicContact CB-CB 4.34Å; V489-A493 WeakPolarHBondContact O-CB 3.37Å; V489-A493 PolarHBondContact O-N 3.13Å; A490-A493 PolarHBondContact O-N 2.81Å; A493-N495 VanDerWaalsContact C-N 3.3Å; A493-N495 PolarHBondContact O-N 3.15Å; A493-R496 PolarHBondContact O-N 3.4Å; A493-R496 VanDerWaalsContact O-N 3.15Å; A493-Q497 PolarHBondContact O-N 2.97Å; A493-L501 HydrophobicContact CB-CD1 3.83Å; A493-L501 WeakPolarHBondContact O-CD1 3.47Å
494I88.5Confident85.8Confident13 Ų1362.1 Ų62.17%0.06731%0.308CS..Hα-helixtrans-54.7-47.7172.8-71.3163.2000110.4V164 V168 A490 M491 R496 F498 L502V164-I494 HydrophobicContact CB-CD1 4.17Å; V164-I494 HydrophobicContact CG2-CD1 4.07Å; V168-I494 HydrophobicContact CB-CD1 4.4Å; V168-I494 HydrophobicContact CB-CG1 4.12Å; V168-I494 HydrophobicContact CG1-CG1 4.4Å; V168-I494 HydrophobicContact CG2-CD1 3.79Å; V168-I494 HydrophobicContact CG2-CG1 3.26Å; A490-I494 VanDerWaalsContact O-CG1 3.29Å; A490-I494 WeakPolarHBondContact O-CG1 3.36Å; A490-I494 PolarHBondContact O-N 3.12Å; M491-I494 PolarHBondContact O-N 2.77Å; M491-I494 HydrophobicContact SD-CD1 4.37Å; I494-R496 PolarHBondContact O-N 3.07Å; I494-F498 HydrophobicContact CG2-CD2 3.85Å; I494-F498 HydrophobicContact CG2-CE2 4.29Å; I494-F498 VanDerWaalsContact O-CA 3.31Å; I494-F498 WeakPolarHBondContact O-CA 2.95Å; I494-F498 WeakPolarHBondContact O-CB 3.26Å; I494-F498 PolarHBondContact O-N 2.88Å; I494-F498 VanDerWaalsContact O-N 3.11Å; I494-L502 HydrophobicContact CG1-CD1 4.46Å; I494-L502 HydrophobicContact CG2-CD1 4.08Å
495N88.4Confident84.7Confident138 Ų13862.9 Ų62.974%0.73832%0.32SS*.Hα-helixtrans-65.1-26.3-178.3-67.9-24000113.3M491 E492 A493M491-N495 PolarHBondContact O-N 3.36Å; M491-N495 PolarHBondContact O-ND2 2.05Å; E492-N495 PolarHBondContact O-N 2.85Å; A493-N495 VanDerWaalsContact C-N 3.3Å; A493-N495 PolarHBondContact O-N 3.15Å
496R86.6Confident83.6Confident111 Ų11164.2 Ų64.242%0.41933%0.327SS..Hα-helixtrans-95.9-35.9-177.1-67.5179.5-176.8-85.32.2113.8E180 E492 A493 I494E180-R496 WeakPolarHBondContact O-CD 3.03Å; E180-R496 PolarHBondContact O-NE 3.32Å; E180-R496 WeakPolarHBondContact OE2-CD 3.24Å; E492-R496 WeakPolarHBondContact O-CG 3.49Å; E492-R496 PolarHBondContact O-N 3.5Å; E492-R496 IonicContact OE1-CZ 2.96Å; E492-R496 IonicContact OE1-NE 2.61Å; E492-R496 PolarHBondContact OE1-NE 3.26Å; E492-R496 IonicContact OE1-NH2 3.27Å; E492-R496 PolarHBondContact OE1-NH2 2.86Å; A493-R496 PolarHBondContact O-N 3.4Å; A493-R496 VanDerWaalsContact O-N 3.15Å; I494-R496 PolarHBondContact O-N 3.07Å
497Q80.7Confident81.9Confident58 Ų5869.3 Ų69.327%0.27136%0.364SS..Hα-helixtrans-130.631.5-168-60.7-68.1-2.100112.4E180 L328 A493 K499 L500 L501E180-Q497 HydrophobicContact CG-CG 4.14Å; E180-Q497 PolarHBondContact OE1-NE2 3.41Å; L328-Q497 HydrophobicContact CD2-CB 4.1Å; L328-Q497 HydrophobicContact CD2-CG 4.07Å; A493-Q497 PolarHBondContact O-N 2.97Å; Q497-K499 VanDerWaalsContact C-N 3.3Å; Q497-K499 PolarHBondContact O-N 3.06Å; Q497-K499 VanDerWaalsContact O-N 3.12Å; Q497-L500 PolarHBondContact O-N 3.48Å; Q497-L501 HydrophobicContact CB-CD1 3.69Å; Q497-L501 HydrophobicContact CB-CG 4.01Å; Q497-L501 WeakPolarHBondContact O-CG 2.96Å; Q497-L501 PolarHBondContact O-N 3.47Å
498F73.8Confident81.3Confident77 Ų7770.2 Ų70.234%0.33837%0.366SS..Hα-helixtrans-43.1-51.9-173.5-170-79.6000113.8I494 L500 L501 L502 L506 S507I494-F498 HydrophobicContact CG2-CD2 3.85Å; I494-F498 HydrophobicContact CG2-CE2 4.29Å; I494-F498 VanDerWaalsContact O-CA 3.31Å; I494-F498 WeakPolarHBondContact O-CA 2.95Å; I494-F498 WeakPolarHBondContact O-CB 3.26Å; I494-F498 PolarHBondContact O-N 2.88Å; I494-F498 VanDerWaalsContact O-N 3.11Å; F498-L500 VanDerWaalsContact C-N 3.29Å; F498-L500 PolarHBondContact O-N 2.84Å; F498-L501 PolarHBondContact O-N 3.45Å; F498-L502 HydrophobicContact CD2-CD1 3.82Å; F498-L502 HydrophobicContact CE1-CB 4.32Å; F498-L502 HydrophobicContact CE1-CD1 4.25Å; F498-L502 HydrophobicContact CE2-CD1 3.42Å; F498-L502 VanDerWaalsContact CE2-CD1 3.42Å; F498-L502 HydrophobicContact CG-CD1 4.41Å; F498-L502 HydrophobicContact CZ-CB 4.44Å; F498-L502 HydrophobicContact CZ-CD1 3.66Å; F498-L502 PolarHBondContact O-N 3.18Å; F498-L506 WeakPolarHBondContact CZ-O 3.5Å; F498-S507 VanDerWaalsContact CE1-CA 3.46Å
499K77Confident80.6Confident188 Ų18871.6 Ų71.682%0.81737%0.366SS*.Hα-helixtrans-65.2-27.4-174.7-66.5-175.7179.8-179.60114.1Q497Q497-K499 VanDerWaalsContact C-N 3.3Å; Q497-K499 PolarHBondContact O-N 3.06Å; Q497-K499 VanDerWaalsContact O-N 3.12Å
500L76.9Confident79.9Confident79 Ų7975.5 Ų75.541%0.41439%0.386SS..Hα-helixtrans-87.4-27.4179.4-68.2175.5000112L328 Q497 F498L328-L500 HydrophobicContact CD2-CB 4.42Å; L328-L500 HydrophobicContact CD2-CD1 4.25Å; Q497-L500 PolarHBondContact O-N 3.48Å; F498-L500 VanDerWaalsContact C-N 3.29Å; F498-L500 PolarHBondContact O-N 2.84Å
501L77.8Confident79.2Confident2 Ų279.9 Ų79.91%0.0141%0.409CS..Hα-helixtrans-101.9-22.5-168-66177.1000114.1V168 S171 A172 L177 L328 A493 Q497 F498V168-L501 HydrophobicContact CG1-CB 4.32Å; V168-L501 HydrophobicContact CG1-CD1 3.91Å; V168-L501 HydrophobicContact CG1-CD2 4.44Å; V168-L501 HydrophobicContact CG1-CG 4.47Å; V168-L501 HydrophobicContact CG2-CB 3.78Å; S171-L501 PolarHBondContact OG-O 2.63Å; A172-L501 HydrophobicContact CB-CD2 3.81Å; L177-L501 HydrophobicContact CD2-CD1 3.96Å; L177-L501 HydrophobicContact CD2-CD2 4.02Å; L328-L501 HydrophobicContact CD1-CD2 4.36Å; L328-L501 HydrophobicContact CD2-CD2 3.8Å; L328-L501 HydrophobicContact CD2-CG 4.22Å; L328-L501 HydrophobicContact CG-CD2 3.87Å; A493-L501 HydrophobicContact CB-CD1 3.83Å; A493-L501 WeakPolarHBondContact O-CD1 3.47Å; Q497-L501 HydrophobicContact CB-CD1 3.69Å; Q497-L501 HydrophobicContact CB-CG 4.01Å; Q497-L501 WeakPolarHBondContact O-CG 2.96Å; Q497-L501 PolarHBondContact O-N 3.47Å; F498-L501 PolarHBondContact O-N 3.45Å
502L78.1Confident78.3Confident10 Ų1079 Ų795%0.05241%0.405CS..SBendtrans-116.4144.2-179.8-68.8172.9000110.8V164 L167 V168 I494 F498 L506V164-L502 HydrophobicContact CB-CD1 4.5Å; V164-L502 HydrophobicContact CB-CD2 4.31Å; L167-L502 HydrophobicContact CB-CD2 3.85Å; L167-L502 HydrophobicContact CD1-CD2 4.3Å; V168-L502 HydrophobicContact CG2-CD2 3.68Å; V168-L502 HydrophobicContact CG2-CG 3.94Å; I494-L502 HydrophobicContact CG1-CD1 4.46Å; I494-L502 HydrophobicContact CG2-CD1 4.08Å; F498-L502 HydrophobicContact CD2-CD1 3.82Å; F498-L502 HydrophobicContact CE1-CB 4.32Å; F498-L502 HydrophobicContact CE1-CD1 4.25Å; F498-L502 HydrophobicContact CE2-CD1 3.42Å; F498-L502 VanDerWaalsContact CE2-CD1 3.42Å; F498-L502 HydrophobicContact CG-CD1 4.41Å; F498-L502 HydrophobicContact CZ-CB 4.44Å; F498-L502 HydrophobicContact CZ-CD1 3.66Å; F498-L502 PolarHBondContact O-N 3.18Å; L502-L506 HydrophobicContact CD2-CD1 4.4Å
503P72.3Confident77.4Confident59 Ų5982.1 Ų82.138%0.38342%0.422SS..  trans-51.6142.8172.5-2633.3000111.6S505 L506P503-S505 PolarHBondContact O-N 3.21Å; P503-L506 PolarHBondContact O-N 3.36Å
504K71.1Confident76.4Confident189 Ų18988 Ų8882%0.82245%0.452SS*.THydrogen-bonded Turntrans-56.1-19.5175.9-66.9-175.7179.81790113.7L506 S507K504-L506 PolarHBondContact O-N 2.83Å; K504-S507 PolarHBondContact O-OG 2.82Å
505S71Confident75.5Confident107 Ų10793.8 Ų93.875%0.74848%0.482SS*.THydrogen-bonded Turntrans-71.5-12.5174.956.10000114.1P503P503-S505 PolarHBondContact O-N 3.21Å
506L69.3Low74.4Confident86 Ų8690.1 Ų90.145%0.4546%0.461SS..  trans-107.2-8.3177.8-64.9176.6000113.1L167 F498 L502 P503 K504L167-L506 HydrophobicContact CD1-CD1 3.65Å; F498-L506 WeakPolarHBondContact CZ-O 3.5Å; L502-L506 HydrophobicContact CD2-CD1 4.4Å; P503-L506 PolarHBondContact O-N 3.36Å; K504-L506 PolarHBondContact O-N 2.83Å
507S58.2Low73.3Confident115 Ų11588.2 Ų88.280%0.80447%0.465SS*.  trans-84.10173.664.50000111.6F498 K504F498-S507 VanDerWaalsContact CE1-CA 3.46Å; K504-S507 PolarHBondContact O-OG 2.82Å

Retrieved 507 of 507 residues in 685.6 ms (Link to these results)

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