A0A087X7J9_POEFO Loading...

Tryptophan--tRNA ligase, cytoplasmic

AlphaFold DB , UniProt , Accession A0A087X7J9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 477 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M34.5Very low33.6Very low236 Ų236143.4 Ų143.4100%1.16386%0.855SS**  075.10-70.2173.2179.700105.7
2T33Very low36.2Very low129 Ų129135.2 Ų135.279%0.79181%0.81SS**  65.888.4101.341.70000112.5
3D30.2Very low39.8Very low168 Ų168129.5 Ų129.590%0.89878%0.777SS**  trans-68.9126.2155.3-85-36.7000108.9Q5D3-Q5 PolarHBondContact O-N 3.17Å
4C30.6Very low42.7Very low129 Ų129123 Ų12387%0.87274%0.739SS**  trans-82.9102.5174.5-68.10000109.4G6C4-G6 PolarHBondContact O-N 3.22Å
5Q30.4Very low45.4Very low190 Ų190120.1 Ų120.189%0.88872%0.715SS**  trans-72.3111.6157.5-79.1173.4-27.900108.2D3D3-Q5 PolarHBondContact O-N 3.17Å
6G29Very low47.9Very low67 Ų67117.7 Ų117.769%0.69170%0.695SS**  trans-98.4114.2162.300000108.5C4 V8C4-G6 PolarHBondContact O-N 3.22Å; G6-V8 PolarHBondContact O-N 3.33Å
7D27.5Very low50.1Low162 Ų162111.8 Ų111.887%0.86666%0.659SS**  trans-60.6121.4173.3-72.1-46.6000110.4
8V34.4Very low52.2Low137 Ų137106.8 Ų106.883%0.8363%0.627SS**  trans-89.7109.1168.2-178.10000106.9G6 G10G6-V8 PolarHBondContact O-N 3.33Å; V8-G10 PolarHBondContact O-N 3.4Å
9E34.3Very low54.1Low195 Ų195106.4 Ų106.491%0.91162%0.619SS**  trans-57.5109.2169.5-82.4-178.314600109.4
10G37.5Very low55.9Low66 Ų66105.5 Ų105.568%0.6861%0.607SS**PPolyproline II helixtrans-70.2128.3-175.200000113.1V8 S12V8-G10 PolarHBondContact O-N 3.4Å; G10-S12 PolarHBondContact O-N 2.93Å
11A47.8Very low57.6Low98 Ų98100.5 Ų100.581%0.8158%0.578SS**PPolyproline II helixtrans-63124.3168.100000109.8
12S65.7Low60.1Low45 Ų4591.6 Ų91.632%0.31554%0.539SS..PPolyproline II helixtrans-68133.1-179-60.60000111.3G10 E16 K20G10-S12 PolarHBondContact O-N 2.93Å; S12-E16 VanDerWaalsContact CA-OE2 3.27Å; S12-E16 WeakPolarHBondContact CA-OE2 3.46Å; S12-K20 PolarHBondContact OG-NZ 3.22Å
13T83Confident62.8Low62 Ų6292 Ų9238%0.3853%0.532SS..PPolyproline II helixtrans-74.9159179.263.50000112.2M15 E16 L17T13-M15 PolarHBondContact O-N 2.89Å; T13-E16 PolarHBondContact N-OE2 2.96Å; T13-E16 PolarHBondContact O-N 3.22Å; T13-E16 VanDerWaalsContact OG1-CD 3.22Å; T13-E16 VanDerWaalsContact OG1-CG 3.22Å; T13-E16 WeakPolarHBondContact OG1-CG 3.22Å; T13-E16 PolarHBondContact OG1-N 3.21Å; T13-E16 PolarHBondContact OG1-OE1 3.45Å; T13-L17 PolarHBondContact O-N 3.35Å
14P79.5Confident65.7Low38 Ų3884.8 Ų84.825%0.24749%0.493CS..Hα-helixtrans-52.1-37.8173.4-30.337.3000114.5L17 Y18 M58 T59 P69P14-L17 PolarHBondContact O-N 2.77Å; P14-Y18 WeakPolarHBondContact O-CB 3.43Å; P14-Y18 PolarHBondContact O-N 2.87Å; P14-M58 HydrophobicContact CB-CE 4.24Å; P14-M58 HydrophobicContact CG-CE 4.17Å; P14-M58 HydrophobicContact CG-CG 4.42Å; P14-M58 HydrophobicContact CG-SD 4.22Å; P14-T59 HydrophobicContact CB-CG2 3.93Å; P14-T59 HydrophobicContact CG-CG2 4.4Å; P14-P69 HydrophobicContact CB-CB 4.32Å; P14-P69 HydrophobicContact CB-CG 4.1Å
15M83.8Confident68.5Low79 Ų7979.3 Ų79.339%0.38946%0.458SS..Hα-helixtrans-70.1-44.9178.2-169.462.5-179.200111.9T13 L17 Y18 E19 P68 P69T13-M15 PolarHBondContact O-N 2.89Å; M15-L17 PolarHBondContact O-N 3.42Å; M15-Y18 WeakPolarHBondContact O-CB 3.33Å; M15-Y18 PolarHBondContact O-N 3.24Å; M15-Y18 HydrophobicContact SD-CD1 4.46Å; M15-E19 WeakPolarHBondContact O-CG 3.47Å; M15-E19 PolarHBondContact O-N 2.87Å; M15-P68 HydrophobicContact CE-CB 4.22Å; M15-P68 HydrophobicContact SD-CB 4.09Å; M15-P69 HydrophobicContact SD-CG 4.34Å
16E84.4Confident71.3Confident82 Ų8274 Ų7438%0.38344%0.439SS..Hα-helixtrans-59.9-36.2175.2-74.8163.5-150.600112.2S12 T13 K20S12-E16 VanDerWaalsContact CA-OE2 3.27Å; S12-E16 WeakPolarHBondContact CA-OE2 3.46Å; T13-E16 PolarHBondContact N-OE2 2.96Å; T13-E16 PolarHBondContact O-N 3.22Å; T13-E16 VanDerWaalsContact OG1-CD 3.22Å; T13-E16 VanDerWaalsContact OG1-CG 3.22Å; T13-E16 WeakPolarHBondContact OG1-CG 3.22Å; T13-E16 PolarHBondContact OG1-N 3.21Å; T13-E16 PolarHBondContact OG1-OE1 3.45Å; E16-K20 WeakPolarHBondContact O-CB 3.05Å; E16-K20 VanDerWaalsContact O-CG 3.28Å; E16-K20 WeakPolarHBondContact O-CG 3.37Å; E16-K20 PolarHBondContact O-N 3.23Å
17L85.6Confident74.2Confident17 Ų1776.5 Ų76.59%0.08943%0.43CS..Hα-helixtrans-74.9-34.2179.8-136124.7000111.6T13 P14 M15 L21 L51 D54 Y55 M58T13-L17 PolarHBondContact O-N 3.35Å; P14-L17 PolarHBondContact O-N 2.77Å; M15-L17 PolarHBondContact O-N 3.42Å; L17-L21 WeakPolarHBondContact O-CB 3.28Å; L17-L21 WeakPolarHBondContact O-CG 3.31Å; L17-L21 PolarHBondContact O-N 3.33Å; L17-L51 WeakPolarHBondContact CD2-O 3.47Å; L17-D54 HydrophobicContact CD2-CB 4.05Å; L17-Y55 HydrophobicContact CB-CD2 4.28Å; L17-Y55 HydrophobicContact CD2-CD2 4.11Å; L17-Y55 HydrophobicContact CD2-CG 4.39Å; L17-M58 HydrophobicContact CB-CE 3.69Å; L17-M58 HydrophobicContact CD1-CE 3.7Å; L17-M58 HydrophobicContact CD2-CE 4.18Å; L17-M58 HydrophobicContact CG-CE 4.05Å
18Y88.6Confident77.2Confident23 Ų2369.3 Ų69.39%0.0939%0.392CS..Hα-helixtrans-62.6-44.2170178.1-93.7000112.1P14 M15 L21 S22 Y55 Y63 G66 C67 P68P14-Y18 WeakPolarHBondContact O-CB 3.43Å; P14-Y18 PolarHBondContact O-N 2.87Å; M15-Y18 WeakPolarHBondContact O-CB 3.33Å; M15-Y18 PolarHBondContact O-N 3.24Å; M15-Y18 HydrophobicContact SD-CD1 4.46Å; Y18-L21 WeakPolarHBondContact O-CB 3.43Å; Y18-L21 PolarHBondContact O-N 2.89Å; Y18-S22 PolarHBondContact O-N 2.99Å; Y18-Y55 HydrophobicContact CD2-CE2 4.43Å; Y18-Y63 AromaticContact CD2-CD2 3.81Å; Y18-Y63 HydrophobicContact CD2-CD2 3.81Å; Y18-Y63 AromaticContact CD2-CE2 3.52Å; Y18-Y63 HydrophobicContact CD2-CE2 3.52Å; Y18-Y63 HydrophobicContact CE2-CD2 4.08Å; Y18-Y63 AromaticContact CE2-CE2 3.55Å; Y18-Y63 HydrophobicContact CE2-CE2 3.55Å; Y18-Y63 HydrophobicContact CG-CE2 4.31Å; Y18-G66 WeakPolarHBondContact OH-CA 3.23Å; Y18-G66 PolarHBondContact OH-N 2.84Å; Y18-C67 WeakPolarHBondContact CE2-O 3.45Å; Y18-C67 PolarHBondContact OH-N 2.85Å; Y18-C67 VanDerWaalsContact OH-N 3.08Å; Y18-P68 HydrophobicContact CD1-CB 4.22Å; Y18-P68 HydrophobicContact CE1-CB 3.9Å
19E88.3Confident80Confident98 Ų9869.8 Ų69.846%0.45838%0.379SS..Hα-helixtrans-63.7-47.4177.5-72.1177.5172.200111.6M15 L21 S22 E23M15-E19 WeakPolarHBondContact O-CG 3.47Å; M15-E19 PolarHBondContact O-N 2.87Å; E19-L21 VanDerWaalsContact C-N 3.25Å; E19-L21 PolarHBondContact O-N 3.45Å; E19-S22 WeakPolarHBondContact O-CB 3.38Å; E19-S22 PolarHBondContact O-N 3.46Å; E19-S22 VanDerWaalsContact O-N 3.07Å; E19-E23 WeakPolarHBondContact O-CG 3.4Å; E19-E23 PolarHBondContact O-N 2.97Å
20K89.3Confident82.6Confident89 Ų8964.1 Ų64.139%0.38736%0.361SS..Hα-helixtrans-57.3-38.1174.6-74.2170.6-176.2169.70112.3S12 E16 Q24 L51S12-K20 PolarHBondContact OG-NZ 3.22Å; E16-K20 WeakPolarHBondContact O-CB 3.05Å; E16-K20 VanDerWaalsContact O-CG 3.28Å; E16-K20 WeakPolarHBondContact O-CG 3.37Å; E16-K20 PolarHBondContact O-N 3.23Å; K20-Q24 WeakPolarHBondContact O-CB 3.47Å; K20-Q24 PolarHBondContact O-N 2.57Å; K20-L51 HydrophobicContact CB-CD1 4.49Å
21L91.9Very high85.1Confident1 Ų162.9 Ų62.91%0.00534%0.338CS..Hα-helixtrans-67.2-40.4175.5-85.5167.4000112.9L17 Y18 E19 G25 L48 L51 K52 Y55 Y63L17-L21 WeakPolarHBondContact O-CB 3.28Å; L17-L21 WeakPolarHBondContact O-CG 3.31Å; L17-L21 PolarHBondContact O-N 3.33Å; Y18-L21 WeakPolarHBondContact O-CB 3.43Å; Y18-L21 PolarHBondContact O-N 2.89Å; E19-L21 VanDerWaalsContact C-N 3.25Å; E19-L21 PolarHBondContact O-N 3.45Å; L21-G25 PolarHBondContact O-N 2.72Å; L21-L48 HydrophobicContact CD2-CD1 3.91Å; L21-L51 HydrophobicContact CD2-CB 3.5Å; L21-L51 HydrophobicContact CG-CB 3.9Å; L21-K52 HydrophobicContact CD2-CB 4.38Å; L21-K52 HydrophobicContact CD2-CG 3.54Å; L21-Y55 HydrophobicContact CD1-CD2 3.87Å; L21-Y55 HydrophobicContact CD1-CG 3.72Å; L21-Y63 HydrophobicContact CB-CD2 3.74Å; L21-Y63 HydrophobicContact CB-CE1 4.45Å; L21-Y63 HydrophobicContact CB-CE2 3.53Å; L21-Y63 HydrophobicContact CB-CG 4.28Å; L21-Y63 HydrophobicContact CD1-CD2 3.52Å; L21-Y63 HydrophobicContact CD1-CE2 4.21Å; L21-Y63 HydrophobicContact CD1-CG 3.79Å; L21-Y63 HydrophobicContact CG-CD2 4.19Å; L21-Y63 HydrophobicContact CG-CE2 4.46Å; L21-Y63 HydrophobicContact CG-CG 4.46Å
22S88.1Confident87Confident48 Ų4864.3 Ų64.334%0.33633%0.327SS..Hα-helixtrans-64.1-49176.5-169.70000111.2Y18 E19 G25 V26 Y63Y18-S22 PolarHBondContact O-N 2.99Å; E19-S22 WeakPolarHBondContact O-CB 3.38Å; E19-S22 PolarHBondContact O-N 3.46Å; E19-S22 VanDerWaalsContact O-N 3.07Å; S22-G25 PolarHBondContact O-N 3.45Å; S22-V26 WeakPolarHBondContact O-CG2 3.48Å; S22-V26 PolarHBondContact O-N 2.76Å; S22-Y63 WeakPolarHBondContact CA-OH 3.41Å
23E88.3Confident88.1Confident138 Ų13867.2 Ų67.265%0.64535%0.347SS*.Hα-helixtrans-61.5-47177.8-71-176.6171.100112.3E19 G25 V26 K27E19-E23 WeakPolarHBondContact O-CG 3.4Å; E19-E23 PolarHBondContact O-N 2.97Å; E23-G25 VanDerWaalsContact C-N 3.28Å; E23-G25 PolarHBondContact O-N 3.46Å; E23-V26 WeakPolarHBondContact O-CB 3.32Å; E23-V26 PolarHBondContact O-N 3.11Å; E23-V26 VanDerWaalsContact O-N 3.15Å; E23-K27 PolarHBondContact O-N 3.28Å
24Q91.7Very high88.3Confident17 Ų1767.7 Ų67.78%0.07936%0.357CS..Hα-helixtrans-65.7-34.1179.3-17263.89.600111.4K20 K27 V28 A44 L48 L51K20-Q24 WeakPolarHBondContact O-CB 3.47Å; K20-Q24 PolarHBondContact O-N 2.57Å; Q24-K27 PolarHBondContact O-N 3.22Å; Q24-V28 WeakPolarHBondContact O-CG2 3.47Å; Q24-V28 PolarHBondContact O-N 3.22Å; Q24-A44 PolarHBondContact NE2-O 2.93Å; Q24-L48 HydrophobicContact CB-CD1 4.05Å; Q24-L48 HydrophobicContact CG-CB 3.93Å; Q24-L48 HydrophobicContact CG-CD1 4.01Å; Q24-L51 HydrophobicContact CB-CD1 4.16Å; Q24-L51 HydrophobicContact CG-CD1 4.29Å
25G89.3Confident88.8Confident14 Ų1475.3 Ų75.314%0.14439%0.386CS..Hα-helixtrans-63.3-40.9171.900000113.1L21 S22 E23 R29L21-G25 PolarHBondContact O-N 2.72Å; S22-G25 PolarHBondContact O-N 3.45Å; E23-G25 VanDerWaalsContact C-N 3.28Å; E23-G25 PolarHBondContact O-N 3.46Å; G25-R29 WeakPolarHBondContact O-CG 3.33Å; G25-R29 PolarHBondContact O-N 2.92Å
26V89.9Confident89Confident78 Ų7873.1 Ų73.147%0.47338%0.381SS..Hα-helixtrans-64.1-43.21731730000111S22 E23 V28 R29 S30S22-V26 WeakPolarHBondContact O-CG2 3.48Å; S22-V26 PolarHBondContact O-N 2.76Å; E23-V26 WeakPolarHBondContact O-CB 3.32Å; E23-V26 PolarHBondContact O-N 3.11Å; E23-V26 VanDerWaalsContact O-N 3.15Å; V26-V28 PolarHBondContact O-N 2.79Å; V26-R29 PolarHBondContact O-N 3.43Å; V26-S30 WeakPolarHBondContact O-CB 3.4Å; V26-S30 PolarHBondContact O-N 3.47Å
27K89.4Confident89.4Confident119 Ų11973.6 Ų73.652%0.51739%0.386SS..Hα-helixtrans-61.5-43.9178.7-170.7172.9-178.2175.80112.5E23 Q24 R29 S30 L31E23-K27 PolarHBondContact O-N 3.28Å; Q24-K27 PolarHBondContact O-N 3.22Å; K27-R29 PolarHBondContact O-N 2.99Å; K27-S30 PolarHBondContact O-N 3.31Å; K27-L31 HydrophobicContact CG-CD1 4.21Å; K27-L31 WeakPolarHBondContact O-CB 3.34Å; K27-L31 VanDerWaalsContact O-CG 3.3Å; K27-L31 WeakPolarHBondContact O-CG 3.42Å; K27-L31 PolarHBondContact O-N 3.44Å
28V91.3Very high89.4Confident11 Ų1180.3 Ų80.37%0.06741%0.414CS..Hα-helixtrans-62.2-42.7175.5170.60000111.3Q24 V26 L31 K32 A44 V45 L48Q24-V28 WeakPolarHBondContact O-CG2 3.47Å; Q24-V28 PolarHBondContact O-N 3.22Å; V26-V28 PolarHBondContact O-N 2.79Å; V28-L31 PolarHBondContact O-N 2.89Å; V28-K32 HydrophobicContact CG1-CD 4.26Å; V28-K32 WeakPolarHBondContact O-CG 3.05Å; V28-K32 PolarHBondContact O-N 3.37Å; V28-A44 HydrophobicContact CG2-CB 3.87Å; V28-V45 HydrophobicContact CG1-CG2 3.85Å; V28-V45 HydrophobicContact CG2-CG2 4.27Å; V28-L48 HydrophobicContact CG2-CD2 4.21Å
29R91.4Very high89.4Confident148 Ų14883.6 Ų83.656%0.55844%0.437SS*.Hα-helixtrans-63-45.5176.2-75-175.4-69.5-120.8-1.1111.9G25 V26 K27 L31 K32 S33G25-R29 WeakPolarHBondContact O-CG 3.33Å; G25-R29 PolarHBondContact O-N 2.92Å; V26-R29 PolarHBondContact O-N 3.43Å; K27-R29 PolarHBondContact O-N 2.99Å; R29-L31 PolarHBondContact O-N 3.41Å; R29-K32 PolarHBondContact O-N 2.92Å; R29-S33 WeakPolarHBondContact O-CB 3.25Å; R29-S33 PolarHBondContact O-N 3.19Å; R29-S33 PolarHBondContact O-OG 3.44Å; R29-S33 VanDerWaalsContact O-OG 3.12Å
30S89.7Confident89.3Confident75 Ų7585.4 Ų85.452%0.52444%0.443SS..Hα-helixtrans-59.7-46.7177.5-179.40000112V26 K27 K32 S33 A34V26-S30 WeakPolarHBondContact O-CB 3.4Å; V26-S30 PolarHBondContact O-N 3.47Å; K27-S30 PolarHBondContact O-N 3.31Å; S30-K32 PolarHBondContact O-N 2.66Å; S30-S33 PolarHBondContact O-N 2.84Å; S30-A34 VanDerWaalsContact O-CB 3.29Å; S30-A34 WeakPolarHBondContact O-CB 3.24Å; S30-A34 PolarHBondContact O-N 2.91Å
31L89.8Confident89.1Confident40 Ų4081.9 Ų81.921%0.20943%0.429CS..Hα-helixtrans-63.4-38.4178.4-70.8170.9000112.8K27 V28 R29 K35 A36 V41 A44K27-L31 HydrophobicContact CG-CD1 4.21Å; K27-L31 WeakPolarHBondContact O-CB 3.34Å; K27-L31 VanDerWaalsContact O-CG 3.3Å; K27-L31 WeakPolarHBondContact O-CG 3.42Å; K27-L31 PolarHBondContact O-N 3.44Å; V28-L31 PolarHBondContact O-N 2.89Å; R29-L31 PolarHBondContact O-N 3.41Å; L31-K35 PolarHBondContact O-N 3.49Å; L31-A36 HydrophobicContact CB-CB 4.22Å; L31-A36 HydrophobicContact CD2-CB 3.81Å; L31-A36 WeakPolarHBondContact O-CB 3.16Å; L31-A36 PolarHBondContact O-N 2.97Å; L31-V41 HydrophobicContact CB-CG2 4.19Å; L31-A44 HydrophobicContact CD1-CB 3.83Å
32K88.3Confident88.9Confident129 Ų12985.6 Ų85.656%0.56145%0.449SS*.Hα-helixtrans-67.8-44.5175.8-74.5-177.4177.6-172.60111.9V28 R29 S30 A34 K35 V41V28-K32 HydrophobicContact CG1-CD 4.26Å; V28-K32 WeakPolarHBondContact O-CG 3.05Å; V28-K32 PolarHBondContact O-N 3.37Å; R29-K32 PolarHBondContact O-N 2.92Å; S30-K32 PolarHBondContact O-N 2.66Å; K32-A34 VanDerWaalsContact C-N 3.31Å; K32-A34 PolarHBondContact O-N 3.32Å; K32-K35 PolarHBondContact O-N 3.31Å; K32-V41 HydrophobicContact CG-CG1 3.95Å
33S87.9Confident89Confident105 Ų10587.8 Ų87.873%0.73446%0.461SS*.Hα-helixtrans-65.3-34.6177.6-63.20000112.6R29 S30 K35R29-S33 WeakPolarHBondContact O-CB 3.25Å; R29-S33 PolarHBondContact O-N 3.19Å; R29-S33 PolarHBondContact O-OG 3.44Å; R29-S33 VanDerWaalsContact O-OG 3.12Å; S30-S33 PolarHBondContact O-N 2.84Å; S33-K35 PolarHBondContact O-N 3.34Å
34A88.1Confident88.9Confident73 Ų7381.7 Ų81.760%0.60343%0.434SS*.THydrogen-bonded Turntrans-78.21.5176.600000114.1S30 K32 A36S30-A34 VanDerWaalsContact O-CB 3.29Å; S30-A34 WeakPolarHBondContact O-CB 3.24Å; S30-A34 PolarHBondContact O-N 2.91Å; K32-A34 VanDerWaalsContact C-N 3.31Å; K32-A34 PolarHBondContact O-N 3.32Å; A34-A36 PolarHBondContact O-N 3.27Å
35K90.5Very high88.9Confident197 Ų19782.9 Ų82.986%0.85744%0.442SS*.THydrogen-bonded Turntrans4941.1-174-62.2-179.9178.8178.70112.3L31 K32 S33L31-K35 PolarHBondContact O-N 3.49Å; K32-K35 PolarHBondContact O-N 3.31Å; S33-K35 PolarHBondContact O-N 3.34Å
36A86.5Confident88.9Confident33 Ų3388.9 Ų88.927%0.27347%0.467SS..  trans-63.3161.8179.300000111.4L31 A34 K38 V41L31-A36 HydrophobicContact CB-CB 4.22Å; L31-A36 HydrophobicContact CD2-CB 3.81Å; L31-A36 WeakPolarHBondContact O-CB 3.16Å; L31-A36 PolarHBondContact O-N 2.97Å; A34-A36 PolarHBondContact O-N 3.27Å; A36-K38 PolarHBondContact O-N 3.09Å; A36-V41 HydrophobicContact CB-CG2 4.45Å
37D93.8Very high88.8Confident92 Ų9289.2 Ų89.249%0.49247%0.465SS..  trans-52.1136.2178.8-174.7-88.5000112.4T39 K40 V41D37-T39 PolarHBondContact O-N 3.04Å; D37-T39 VanDerWaalsContact OD1-CB 3.31Å; D37-T39 WeakPolarHBondContact OD1-CB 3.29Å; D37-T39 PolarHBondContact OD1-N 3.34Å; D37-T39 PolarHBondContact OD1-OG1 3.43Å; D37-K40 HydrophobicContact CB-CD 4.37Å; D37-K40 HydrophobicContact CB-CG 4.37Å; D37-K40 WeakPolarHBondContact O-CB 3.44Å; D37-K40 PolarHBondContact O-N 2.93Å; D37-V41 PolarHBondContact O-N 3.1Å; D37-V41 VanDerWaalsContact O-N 3.15Å
38K85.9Confident88.9Confident158 Ų15884.8 Ų84.869%0.68745%0.447SS*.Hα-helixtrans-56.8-37.1-174.3-172.7174.8178.2-178.40112.3A36 K40 V41 D42A36-K38 PolarHBondContact O-N 3.09Å; K38-K40 VanDerWaalsContact C-N 3.3Å; K38-K40 PolarHBondContact O-N 3.44Å; K38-V41 PolarHBondContact O-N 2.96Å; K38-D42 WeakPolarHBondContact O-CB 3.33Å; K38-D42 PolarHBondContact O-N 2.98Å
39T89Confident88.8Confident92 Ų9289 Ų8956%0.56447%0.469SS*.Hα-helixtrans-65.5-33.8178.766.50000112.3D37 T43D37-T39 PolarHBondContact O-N 3.04Å; D37-T39 VanDerWaalsContact OD1-CB 3.31Å; D37-T39 WeakPolarHBondContact OD1-CB 3.29Å; D37-T39 PolarHBondContact OD1-N 3.34Å; D37-T39 PolarHBondContact OD1-OG1 3.43Å; T39-T43 WeakPolarHBondContact O-CB 3.5Å; T39-T43 PolarHBondContact O-N 2.71Å; T39-T43 PolarHBondContact O-OG1 3.13Å
40K84.6Confident88.8Confident136 Ų13688.1 Ų88.159%0.59147%0.469SS*.Hα-helixtrans-73.7-37.1176.8-65.6-178.1178.2177.70111.9D37 K38 A44D37-K40 HydrophobicContact CB-CD 4.37Å; D37-K40 HydrophobicContact CB-CG 4.37Å; D37-K40 WeakPolarHBondContact O-CB 3.44Å; D37-K40 PolarHBondContact O-N 2.93Å; K38-K40 VanDerWaalsContact C-N 3.3Å; K38-K40 PolarHBondContact O-N 3.44Å; K40-A44 WeakPolarHBondContact O-CB 3.43Å; K40-A44 PolarHBondContact O-N 3.22Å
41V86Confident88.7Confident16 Ų1685.9 Ų85.910%0.09745%0.451CS..Hα-helixtrans-65.4-46.7174178.50000110.2L31 K32 A36 D37 K38 T43 A44 V45L31-V41 HydrophobicContact CB-CG2 4.19Å; K32-V41 HydrophobicContact CG-CG1 3.95Å; A36-V41 HydrophobicContact CB-CG2 4.45Å; D37-V41 PolarHBondContact O-N 3.1Å; D37-V41 VanDerWaalsContact O-N 3.15Å; K38-V41 PolarHBondContact O-N 2.96Å; V41-T43 PolarHBondContact O-N 3.21Å; V41-A44 PolarHBondContact O-N 2.66Å; V41-V45 HydrophobicContact CG1-CG2 4.35Å; V41-V45 VanDerWaalsContact O-CG2 3.3Å; V41-V45 WeakPolarHBondContact O-CG2 3.44Å; V41-V45 PolarHBondContact O-N 3.48Å
42D87.1Confident88.7Confident78 Ų7888 Ų8842%0.41746%0.458SS..Hα-helixtrans-64.8-41.8-177.7-68.6-18000111.6K38 A44 V45 Q46K38-D42 WeakPolarHBondContact O-CB 3.33Å; K38-D42 PolarHBondContact O-N 2.98Å; D42-A44 VanDerWaalsContact C-N 3.34Å; D42-A44 PolarHBondContact O-N 2.89Å; D42-V45 PolarHBondContact O-N 3.36Å; D42-Q46 WeakPolarHBondContact O-CG 3.31Å; D42-Q46 PolarHBondContact O-N 2.93Å
43T90.9Very high88.6Confident95 Ų9588.3 Ų88.358%0.58346%0.463SS*.Hα-helixtrans-60.7-42.9174.8-560000111.5T39 V41 Q46 L47T39-T43 WeakPolarHBondContact O-CB 3.5Å; T39-T43 PolarHBondContact O-N 2.71Å; T39-T43 PolarHBondContact O-OG1 3.13Å; V41-T43 PolarHBondContact O-N 3.21Å; T43-Q46 PolarHBondContact O-N 3.16Å; T43-L47 PolarHBondContact O-N 2.96Å
44A86.6Confident88.3Confident9 Ų986.2 Ų86.27%0.07444%0.444CS..Hα-helixtrans-68.6-34.4178.700000112.6Q24 V28 L31 K40 V41 D42 L48Q24-A44 PolarHBondContact NE2-O 2.93Å; V28-A44 HydrophobicContact CG2-CB 3.87Å; L31-A44 HydrophobicContact CD1-CB 3.83Å; K40-A44 WeakPolarHBondContact O-CB 3.43Å; K40-A44 PolarHBondContact O-N 3.22Å; V41-A44 PolarHBondContact O-N 2.66Å; D42-A44 VanDerWaalsContact C-N 3.34Å; D42-A44 PolarHBondContact O-N 2.89Å; A44-L48 PolarHBondContact O-N 3.07Å; A44-L48 VanDerWaalsContact O-N 3.13Å
45V90.8Very high88.1Confident43 Ų4383.4 Ų83.426%0.26142%0.418SS..Hα-helixtrans-69.8-41.5175.4170.30000111.3V28 V41 D42 L47 L48 L49V28-V45 HydrophobicContact CG1-CG2 3.85Å; V28-V45 HydrophobicContact CG2-CG2 4.27Å; V41-V45 HydrophobicContact CG1-CG2 4.35Å; V41-V45 VanDerWaalsContact O-CG2 3.3Å; V41-V45 WeakPolarHBondContact O-CG2 3.44Å; V41-V45 PolarHBondContact O-N 3.48Å; D42-V45 PolarHBondContact O-N 3.36Å; V45-L47 VanDerWaalsContact C-N 3.33Å; V45-L47 PolarHBondContact O-N 2.8Å; V45-L48 WeakPolarHBondContact O-CB 3.23Å; V45-L48 PolarHBondContact O-N 2.92Å; V45-L49 HydrophobicContact CG1-CD1 4.21Å; V45-L49 WeakPolarHBondContact O-CG 3.47Å; V45-L49 PolarHBondContact O-N 2.6Å
46Q90Very high87.9Confident140 Ų14078.5 Ų78.565%0.65440%0.397SS*.Hα-helixtrans-61.1-42.2176-76-172.8-8.200112.1D42 T43 L48 L49 K50D42-Q46 WeakPolarHBondContact O-CG 3.31Å; D42-Q46 PolarHBondContact O-N 2.93Å; T43-Q46 PolarHBondContact O-N 3.16Å; Q46-L48 VanDerWaalsContact C-N 3.34Å; Q46-L48 PolarHBondContact O-N 2.97Å; Q46-L49 PolarHBondContact O-N 3.31Å; Q46-K50 PolarHBondContact O-N 3.03Å
47L87.9Confident87.6Confident84 Ų8484.8 Ų84.844%0.4442%0.42SS..Hα-helixtrans-63.7-39.7175.3-176.460.8000112T43 V45 L49 K50 L51T43-L47 PolarHBondContact O-N 2.96Å; V45-L47 VanDerWaalsContact C-N 3.33Å; V45-L47 PolarHBondContact O-N 2.8Å; L47-L49 VanDerWaalsContact C-N 3.34Å; L47-L49 PolarHBondContact O-N 2.82Å; L47-K50 PolarHBondContact O-N 3.37Å; L47-L51 HydrophobicContact CG-CD1 4.31Å; L47-L51 WeakPolarHBondContact O-CG 3.43Å; L47-L51 PolarHBondContact O-N 3.08Å
48L90.1Very high86.9Confident26 Ų2684 Ų8414%0.13641%0.414CS..Hα-helixtrans-62.7-40.5175.8-176.964.6000112L21 Q24 V28 A44 V45 Q46 K52L21-L48 HydrophobicContact CD2-CD1 3.91Å; Q24-L48 HydrophobicContact CB-CD1 4.05Å; Q24-L48 HydrophobicContact CG-CB 3.93Å; Q24-L48 HydrophobicContact CG-CD1 4.01Å; V28-L48 HydrophobicContact CG2-CD2 4.21Å; A44-L48 PolarHBondContact O-N 3.07Å; A44-L48 VanDerWaalsContact O-N 3.13Å; V45-L48 WeakPolarHBondContact O-CB 3.23Å; V45-L48 PolarHBondContact O-N 2.92Å; Q46-L48 VanDerWaalsContact C-N 3.34Å; Q46-L48 PolarHBondContact O-N 2.97Å; L48-K52 WeakPolarHBondContact O-CG 3.35Å; L48-K52 PolarHBondContact O-N 3.23Å; L48-K52 VanDerWaalsContact O-N 3.12Å
49L89.6Confident86.7Confident100 Ų10077.3 Ų77.352%0.52439%0.387SS..Hα-helixtrans-66.4-42.6177.5-70.9171.6000111.7V45 Q46 L47 K52 M53V45-L49 HydrophobicContact CG1-CD1 4.21Å; V45-L49 WeakPolarHBondContact O-CG 3.47Å; V45-L49 PolarHBondContact O-N 2.6Å; Q46-L49 PolarHBondContact O-N 3.31Å; L47-L49 VanDerWaalsContact C-N 3.34Å; L47-L49 PolarHBondContact O-N 2.82Å; L49-K52 PolarHBondContact O-N 2.64Å; L49-M53 WeakPolarHBondContact O-CG 3.43Å; L49-M53 PolarHBondContact O-N 3.33Å; L49-M53 VanDerWaalsContact O-N 3.08Å
50K91.1Very high86.3Confident130 Ų13075.8 Ų75.857%0.56539%0.39SS*.Hα-helixtrans-59.2-48.9175.7-173.9178.7177-177.10111.4Q46 L47 K52 M53 D54Q46-K50 PolarHBondContact O-N 3.03Å; L47-K50 PolarHBondContact O-N 3.37Å; K50-K52 VanDerWaalsContact C-N 3.25Å; K50-K52 PolarHBondContact O-N 2.72Å; K50-M53 WeakPolarHBondContact O-CB 3.41Å; K50-M53 PolarHBondContact O-N 3.28Å; K50-M53 VanDerWaalsContact O-N 3.09Å; K50-D54 PolarHBondContact O-N 3.16Å
51L88Confident86.1Confident27 Ų2775.3 Ų75.314%0.14139%0.389CS..Hα-helixtrans-60.7-33.6177.9-71.1170.1000112.8L17 K20 L21 Q24 L47 Y55L17-L51 WeakPolarHBondContact CD2-O 3.47Å; K20-L51 HydrophobicContact CB-CD1 4.49Å; L21-L51 HydrophobicContact CD2-CB 3.5Å; L21-L51 HydrophobicContact CG-CB 3.9Å; Q24-L51 HydrophobicContact CB-CD1 4.16Å; Q24-L51 HydrophobicContact CG-CD1 4.29Å; L47-L51 HydrophobicContact CG-CD1 4.31Å; L47-L51 WeakPolarHBondContact O-CG 3.43Å; L47-L51 PolarHBondContact O-N 3.08Å; L51-Y55 WeakPolarHBondContact O-CB 3.35Å; L51-Y55 PolarHBondContact O-N 2.76Å
52K89.1Confident86.2Confident85 Ų8579.2 Ų79.237%0.3741%0.409SS..Hα-helixtrans-69.7-37.2176.2-77-175.5176-1680112.1L21 L48 L49 K50 K56L21-K52 HydrophobicContact CD2-CB 4.38Å; L21-K52 HydrophobicContact CD2-CG 3.54Å; L48-K52 WeakPolarHBondContact O-CG 3.35Å; L48-K52 PolarHBondContact O-N 3.23Å; L48-K52 VanDerWaalsContact O-N 3.12Å; L49-K52 PolarHBondContact O-N 2.64Å; K50-K52 VanDerWaalsContact C-N 3.25Å; K50-K52 PolarHBondContact O-N 2.72Å; K52-K56 WeakPolarHBondContact O-CB 3.3Å; K52-K56 PolarHBondContact O-N 3.1Å
53M86.3Confident86.1Confident136 Ų13677.3 Ų77.367%0.6740%0.397SS*.Hα-helixtrans-65.5-46.9174.4-69.6-17962.900110.8L49 K50 Y55 K56 Q57L49-M53 WeakPolarHBondContact O-CG 3.43Å; L49-M53 PolarHBondContact O-N 3.33Å; L49-M53 VanDerWaalsContact O-N 3.08Å; K50-M53 WeakPolarHBondContact O-CB 3.41Å; K50-M53 PolarHBondContact O-N 3.28Å; K50-M53 VanDerWaalsContact O-N 3.09Å; M53-Y55 VanDerWaalsContact C-N 3.3Å; M53-Y55 PolarHBondContact O-N 3.2Å; M53-K56 PolarHBondContact O-N 3.09Å; M53-Q57 WeakPolarHBondContact O-CB 3.03Å; M53-Q57 PolarHBondContact O-N 2.83Å
54D81.7Confident85.8Confident61 Ų6179.7 Ų79.733%0.32640%0.399SS..Hα-helixtrans-61.2-39.6178.5-62.9-17.1000111L17 K50 Q57 M58L17-D54 HydrophobicContact CD2-CB 4.05Å; K50-D54 PolarHBondContact O-N 3.16Å; D54-Q57 PolarHBondContact O-N 2.77Å; D54-M58 WeakPolarHBondContact O-CB 3.4Å; D54-M58 PolarHBondContact O-N 3.48Å
55Y84.9Confident85.5Confident13 Ų1382.8 Ų82.85%0.05142%0.424CS..Hα-helixtrans-64.5-44.5174.9-172-92.9000113.1L17 Y18 L21 L51 M53 Q57 M58 T59 H61 P69L17-Y55 HydrophobicContact CB-CD2 4.28Å; L17-Y55 HydrophobicContact CD2-CD2 4.11Å; L17-Y55 HydrophobicContact CD2-CG 4.39Å; Y18-Y55 HydrophobicContact CD2-CE2 4.43Å; L21-Y55 HydrophobicContact CD1-CD2 3.87Å; L21-Y55 HydrophobicContact CD1-CG 3.72Å; L51-Y55 WeakPolarHBondContact O-CB 3.35Å; L51-Y55 PolarHBondContact O-N 2.76Å; M53-Y55 VanDerWaalsContact C-N 3.3Å; M53-Y55 PolarHBondContact O-N 3.2Å; Y55-Q57 VanDerWaalsContact C-N 3.35Å; Y55-M58 PolarHBondContact O-N 2.85Å; Y55-T59 HydrophobicContact CD1-CG2 4.44Å; Y55-T59 HydrophobicContact CD2-CG2 4.21Å; Y55-T59 HydrophobicContact CE1-CG2 4.17Å; Y55-T59 WeakPolarHBondContact CE1-OG1 3.46Å; Y55-T59 HydrophobicContact CE2-CG2 3.91Å; Y55-T59 HydrophobicContact CG-CG2 4.46Å; Y55-T59 WeakPolarHBondContact O-CB 3.39Å; Y55-T59 WeakPolarHBondContact O-CG2 3.49Å; Y55-T59 PolarHBondContact O-N 3.2Å; Y55-T59 PolarHBondContact O-OG1 3.45Å; Y55-H61 WeakPolarHBondContact CD1-O 3.36Å; Y55-P69 HydrophobicContact CE2-CG 4.5Å
56K85.7Confident84.8Confident95 Ų9583.8 Ų83.841%0.41344%0.444SS..Hα-helixtrans-65.1-40.7177.6-172.9-178.4-167.4140.20111.6K52 M53 M58 G60 H61 D62K52-K56 WeakPolarHBondContact O-CB 3.3Å; K52-K56 PolarHBondContact O-N 3.1Å; M53-K56 PolarHBondContact O-N 3.09Å; K56-M58 VanDerWaalsContact C-N 3.3Å; K56-M58 PolarHBondContact O-N 2.99Å; K56-G60 VanDerWaalsContact O-CA 3.27Å; K56-G60 WeakPolarHBondContact O-CA 3.39Å; K56-G60 PolarHBondContact O-N 3.4Å; K56-H61 WeakPolarHBondContact CA-O 3.28Å; K56-D62 VanDerWaalsContact CD-OD1 3.3Å; K56-D62 WeakPolarHBondContact CD-OD1 3.28Å; K56-D62 WeakPolarHBondContact CE-OD1 3.32Å; K56-D62 IonicContact NZ-OD1 3.15Å; K56-D62 PolarHBondContact NZ-OD1 3.42Å; K56-D62 IonicContact NZ-OD2 2.83Å; K56-D62 PolarHBondContact NZ-OD2 3.32Å
57Q81.6Confident84.3Confident165 Ų16580.8 Ų80.877%0.77144%0.437SS*.Hα-helixtrans-64.6-36.9178-174.8174.7-200111.7M53 D54 Y55M53-Q57 WeakPolarHBondContact O-CB 3.03Å; M53-Q57 PolarHBondContact O-N 2.83Å; D54-Q57 PolarHBondContact O-N 2.77Å; Y55-Q57 VanDerWaalsContact C-N 3.35Å
58M78.9Confident83.9Confident74 Ų7480.5 Ų80.537%0.36544%0.441SS..Hα-helixtrans-83.4-37.2-177.2-174.8173.753.300113.7P14 L17 D54 Y55 K56P14-M58 HydrophobicContact CB-CE 4.24Å; P14-M58 HydrophobicContact CG-CE 4.17Å; P14-M58 HydrophobicContact CG-CG 4.42Å; P14-M58 HydrophobicContact CG-SD 4.22Å; L17-M58 HydrophobicContact CB-CE 3.69Å; L17-M58 HydrophobicContact CD1-CE 3.7Å; L17-M58 HydrophobicContact CD2-CE 4.18Å; L17-M58 HydrophobicContact CG-CE 4.05Å; D54-M58 WeakPolarHBondContact O-CB 3.4Å; D54-M58 PolarHBondContact O-N 3.48Å; Y55-M58 PolarHBondContact O-N 2.85Å; K56-M58 VanDerWaalsContact C-N 3.3Å; K56-M58 PolarHBondContact O-N 2.99Å
59T80.1Confident83.2Confident19 Ų1980.6 Ų80.612%0.11744%0.443CS..Hα-helixtrans-104.5-10.7-173.366.70000113.9P14 Y55 H61P14-T59 HydrophobicContact CB-CG2 3.93Å; P14-T59 HydrophobicContact CG-CG2 4.4Å; Y55-T59 HydrophobicContact CD1-CG2 4.44Å; Y55-T59 HydrophobicContact CD2-CG2 4.21Å; Y55-T59 HydrophobicContact CE1-CG2 4.17Å; Y55-T59 WeakPolarHBondContact CE1-OG1 3.46Å; Y55-T59 HydrophobicContact CE2-CG2 3.91Å; Y55-T59 HydrophobicContact CG-CG2 4.46Å; Y55-T59 WeakPolarHBondContact O-CB 3.39Å; Y55-T59 WeakPolarHBondContact O-CG2 3.49Å; Y55-T59 PolarHBondContact O-N 3.2Å; Y55-T59 PolarHBondContact O-OG1 3.45Å; T59-H61 PolarHBondContact O-N 3.18Å; T59-H61 PolarHBondContact O-ND1 3.03Å; T59-H61 PolarHBondContact OG1-N 3.35Å; T59-H61 PolarHBondContact OG1-O 3.24Å
60G80.9Confident82Confident60 Ų6079.4 Ų79.462%0.61944%0.443SS*.SBendtrans73.7-4.8-172.200000114.6K56K56-G60 VanDerWaalsContact O-CA 3.27Å; K56-G60 WeakPolarHBondContact O-CA 3.39Å; K56-G60 PolarHBondContact O-N 3.4Å
61H81.4Confident80Confident125 Ų12582.8 Ų82.858%0.57946%0.461SS*.SBendtrans-121.8146.4-172.9-62.389.8000111.9Y55 K56 T59Y55-H61 WeakPolarHBondContact CD1-O 3.36Å; K56-H61 WeakPolarHBondContact CA-O 3.28Å; T59-H61 PolarHBondContact O-N 3.18Å; T59-H61 PolarHBondContact O-ND1 3.03Å; T59-H61 PolarHBondContact OG1-N 3.35Å; T59-H61 PolarHBondContact OG1-O 3.24Å
62D86.8Confident78Confident98 Ų9888.8 Ų88.852%0.52449%0.493SS..  trans-70.1140.7172.1-72.1-63.9000111.3K56 K64K56-D62 VanDerWaalsContact CD-OD1 3.3Å; K56-D62 WeakPolarHBondContact CD-OD1 3.28Å; K56-D62 WeakPolarHBondContact CE-OD1 3.32Å; K56-D62 IonicContact NZ-OD1 3.15Å; K56-D62 PolarHBondContact NZ-OD1 3.42Å; K56-D62 IonicContact NZ-OD2 2.83Å; K56-D62 PolarHBondContact NZ-OD2 3.32Å; D62-K64 PolarHBondContact O-N 2.72Å
63Y86.1Confident75.9Confident38 Ų3888.7 Ų88.715%0.14950%0.496CS..  trans-60.6123.6177170.4-95.6000112.1Y18 L21 S22 A65Y18-Y63 AromaticContact CD2-CD2 3.81Å; Y18-Y63 HydrophobicContact CD2-CD2 3.81Å; Y18-Y63 AromaticContact CD2-CE2 3.52Å; Y18-Y63 HydrophobicContact CD2-CE2 3.52Å; Y18-Y63 HydrophobicContact CE2-CD2 4.08Å; Y18-Y63 AromaticContact CE2-CE2 3.55Å; Y18-Y63 HydrophobicContact CE2-CE2 3.55Å; Y18-Y63 HydrophobicContact CG-CE2 4.31Å; L21-Y63 HydrophobicContact CB-CD2 3.74Å; L21-Y63 HydrophobicContact CB-CE1 4.45Å; L21-Y63 HydrophobicContact CB-CE2 3.53Å; L21-Y63 HydrophobicContact CB-CG 4.28Å; L21-Y63 HydrophobicContact CD1-CD2 3.52Å; L21-Y63 HydrophobicContact CD1-CE2 4.21Å; L21-Y63 HydrophobicContact CD1-CG 3.79Å; L21-Y63 HydrophobicContact CG-CD2 4.19Å; L21-Y63 HydrophobicContact CG-CE2 4.46Å; L21-Y63 HydrophobicContact CG-CG 4.46Å; S22-Y63 WeakPolarHBondContact CA-OH 3.41Å; Y63-A65 HydrophobicContact CE1-CB 4.05Å
64K85.3Confident73.4Confident146 Ų14686.2 Ų86.264%0.63550%0.498SS*.  trans-117.2119.6171.2-68.9-178.4-177.5175.10109.8D62 G66 C67D62-K64 PolarHBondContact O-N 2.72Å; K64-G66 PolarHBondContact O-N 2.69Å; K64-C67 HydrophobicContact CB-CB 4.26Å; K64-C67 PolarHBondContact O-N 3.36Å
65A78.4Confident71.3Confident73 Ų7388 Ų8860%0.60352%0.521SS*.THydrogen-bonded Turntrans-65129.6178.100000110.7Y63Y63-A65 HydrophobicContact CE1-CB 4.05Å
66G76.9Confident69.4Low65 Ų6593.5 Ų93.567%0.6756%0.558SS**THydrogen-bonded Turntrans91.74.2-178.300000114.8Y18 K64Y18-G66 WeakPolarHBondContact OH-CA 3.23Å; Y18-G66 PolarHBondContact OH-N 2.84Å; K64-G66 PolarHBondContact O-N 2.69Å
67C79.3Confident66.7Low77 Ų7796.7 Ų96.752%0.5258%0.58SS.*  trans-125.686.3176.9-61.60000110.1Y18 K64Y18-C67 WeakPolarHBondContact CE2-O 3.45Å; Y18-C67 PolarHBondContact OH-N 2.85Å; Y18-C67 VanDerWaalsContact OH-N 3.08Å; K64-C67 HydrophobicContact CB-CB 4.26Å; K64-C67 PolarHBondContact O-N 3.36Å
68P78.8Confident64.7Low78 Ų7896.9 Ų96.951%0.50659%0.586SS.*PPolyproline II helixtrans-67.9146.7178.528.7-33.4000111.4M15 Y18M15-P68 HydrophobicContact CE-CB 4.22Å; M15-P68 HydrophobicContact SD-CB 4.09Å; Y18-P68 HydrophobicContact CD1-CB 4.22Å; Y18-P68 HydrophobicContact CE1-CB 3.9Å
69P75.4Confident62.3Low27 Ų2796.2 Ų96.218%0.17560%0.598CS.*PPolyproline II helixtrans-66.7148.3175.926.7-31.8000111.6P14 M15 Y55P14-P69 HydrophobicContact CB-CB 4.32Å; P14-P69 HydrophobicContact CB-CG 4.1Å; M15-P69 HydrophobicContact SD-CG 4.34Å; Y55-P69 HydrophobicContact CE2-CG 4.5Å
70S64.9Low59.9Low75 Ų75101.7 Ų101.752%0.52463%0.634SS.*PPolyproline II helixtrans-90.2150.2178.376.60000111.1N72 D73S70-N72 PolarHBondContact O-N 3.46Å; S70-D73 PolarHBondContact O-N 3.25Å; S70-D73 PolarHBondContact OG-OD2 3.17Å
71E48.9Very low57.7Low202 Ų202103.5 Ų103.594%0.94464%0.643SS**THydrogen-bonded Turntrans-62-3.2-174.6-76.5-173.9158.200115.4
72N46.8Very low55.2Low152 Ų152101.6 Ų101.681%0.81365%0.649SS**THydrogen-bonded Turntrans-99.53.1-179.6-82.3-17.6000115.3S70 A74S70-N72 PolarHBondContact O-N 3.46Å; N72-A74 VanDerWaalsContact C-N 3.29Å; N72-A74 PolarHBondContact O-N 3.3Å; N72-A74 VanDerWaalsContact O-N 3.16Å
73D44.6Very low52.6Low83 Ų83104.8 Ų104.844%0.44467%0.666SS.*  trans-88.840.1-175.2-66.9-48.7000114.3S70S70-D73 PolarHBondContact O-N 3.25Å; S70-D73 PolarHBondContact OG-OD2 3.17Å
74A34.3Very low50Low85 Ų85109.5 Ų109.570%0.70270%0.699SS**  trans-120106.1177.400000113.4N72N72-A74 VanDerWaalsContact C-N 3.29Å; N72-A74 PolarHBondContact O-N 3.3Å; N72-A74 VanDerWaalsContact O-N 3.16Å
75A37.6Very low47.5Very low98 Ų98107.1 Ų107.181%0.8171%0.706SS**  trans71.5148.6160.900000120
76P43.8Very low45.5Very low128 Ų128106.6 Ų106.683%0.83171%0.708SS**  trans-89131.8-165.735-29.9000111.6
77N29.1Very low44.2Very low163 Ų163111 Ų11187%0.87271%0.711SS**  trans-113.9120.1167.4-149.73.1000110.2G79N77-G79 PolarHBondContact O-N 2.95Å
78N41.4Very low43.6Very low168 Ų168112.2 Ų112.290%0.89871%0.712SS**  trans-62.1112.9178-80.8-28.1000110.7
79G28.5Very low43.6Very low61 Ų61109.8 Ų109.863%0.62970%0.695SS**  trans-154.4150.6168.700000109.3N77N77-G79 PolarHBondContact O-N 2.95Å
80P29.7Very low43.8Very low133 Ų133111.1 Ų111.186%0.86470%0.703SS**  trans-65.7139.3-161.428.8-33.8000111.5A82P80-A82 PolarHBondContact O-N 2.71Å
81A35Very low44.5Very low98 Ų98108 Ų10881%0.8168%0.68SS**  trans-43.9110.2-17700000112.2
82A27.9Very low46Very low86 Ų86100.5 Ų100.571%0.71165%0.647SS**  trans-83.9119.5150.700000106.1P80 V84P80-A82 PolarHBondContact O-N 2.71Å; A82-V84 PolarHBondContact O-N 3.49Å
83D33.1Very low47.6Very low164 Ų16493.9 Ų93.988%0.87761%0.612SS**  trans-50101.9176-71-46.9000110.6A85D83-A85 PolarHBondContact O-N 3.49Å
84V29.6Very low49.2Very low138 Ų13893.8 Ų93.884%0.83661%0.606SS**  trans-75.8112164.4-172.50000105.7A82 G86A82-V84 PolarHBondContact O-N 3.49Å; V84-G86 PolarHBondContact O-N 2.9Å
85A33.8Very low51.3Low95 Ų9593 Ų9379%0.78559%0.592SS**  trans-45.9123.8175.300000110.6D83D83-A85 PolarHBondContact O-N 3.49Å
86G37.2Very low53.2Low62 Ų6288.9 Ų88.964%0.63956%0.557SS**PPolyproline II helixtrans-61147.4-171.100000114.3V84 D88V84-G86 PolarHBondContact O-N 2.9Å; G86-D88 PolarHBondContact O-N 3.14Å
87E48.3Very low54.8Low158 Ų15885.1 Ų85.174%0.73853%0.534SS*.PPolyproline II helixtrans-53.4120.1169.2-71.3179.314400110.1T99E87-T99 WeakPolarHBondContact OE2-CG2 3.4Å
88D67.3Low57.3Low102 Ų10278 Ų7855%0.54550%0.497SS..PPolyproline II helixtrans-72.6141.1-179.3-82.9-35.7000112G86 K108G86-D88 PolarHBondContact O-N 3.14Å; D88-K108 IonicContact OD1-NZ 2.75Å; D88-K108 PolarHBondContact OD1-NZ 2.88Å
89D78.4Confident59.1Low27 Ų2775 Ų7514%0.14448%0.484CS..PPolyproline II helixtrans-50.9146.2170.1-66.7-24000110.4T98 V104 D105 R113D89-T98 WeakPolarHBondContact OD1-CB 3.31Å; D89-T98 PolarHBondContact OD1-OG1 2.67Å; D89-V104 HydrophobicContact CB-CG1 4.46Å; D89-D105 PolarHBondContact OD2-N 3.13Å; D89-R113 PolarHBondContact O-NH1 3.04Å; D89-R113 PolarHBondContact O-NH2 3.2Å
90T79.3Confident61.5Low55 Ų5575.5 Ų75.534%0.33747%0.472SS..EExtended strand (participates in β ladder)trans-109.5122171.6-60.30000109V96 S97T90-V96 VanDerWaalsContact O-CA 3.29Å; T90-V96 WeakPolarHBondContact O-CA 3.28Å; T90-S97 PolarHBondContact N-O 2.98Å; T90-S97 PolarHBondContact O-N 3.42Å
91V79.3Confident63.7Low9 Ų971 Ų716%0.05545%0.447CS..EExtended strand (participates in β ladder)trans-138107.3-179.1-178.20000108.6V96 V104 L109 F114 I318 D319 F346V91-V96 HydrophobicContact CG1-CG2 4.46Å; V91-V104 HydrophobicContact CG2-CG1 4.09Å; V91-V104 HydrophobicContact CG2-CG2 4.44Å; V91-L109 HydrophobicContact CB-CD1 4.13Å; V91-L109 HydrophobicContact CG1-CD2 4.36Å; V91-L109 HydrophobicContact CG2-CD1 3.93Å; V91-L109 HydrophobicContact CG2-CD2 4.22Å; V91-F114 HydrophobicContact CB-CE2 4.48Å; V91-F114 HydrophobicContact CB-CZ 4.37Å; V91-F114 HydrophobicContact CG1-CE2 4.13Å; V91-F114 HydrophobicContact CG1-CZ 4.16Å; V91-I318 HydrophobicContact CG1-CG2 4.43Å; V91-D319 HydrophobicContact CG1-CB 4.48Å; V91-F346 HydrophobicContact CG1-CE2 3.83Å; V91-F346 HydrophobicContact CG1-CZ 3.63Å; V91-F346 HydrophobicContact CG2-CE2 4.33Å
92D81.6Confident65.7Low45 Ų4571.8 Ų71.824%0.24143%0.432CS..  trans-141.1171.3173.871.856.7000109.8W94 T95 D319D92-W94 PolarHBondContact O-N 3.29Å; D92-W94 WeakPolarHBondContact OD1-CA 3.28Å; D92-W94 WeakPolarHBondContact OD1-CB 3.35Å; D92-W94 PolarHBondContact OD1-N 2.86Å; D92-T95 PolarHBondContact N-O 2.89Å; D92-T95 PolarHBondContact O-N 3.35Å; D92-T95 PolarHBondContact OD1-N 3.39Å; D92-D319 WeakPolarHBondContact O-CB 3.23Å
93P79.5Confident68.1Low13 Ų1368 Ų688%0.08440%0.401CS..SBendtrans-55.5-26.6-177.2-27.435.1000114.8F274 D319 Y323 K356P93-F274 HydrophobicContact CG-CD1 4.34Å; P93-F274 HydrophobicContact CG-CE1 4.36Å; P93-D319 WeakPolarHBondContact CA-O 3.32Å; P93-D319 WeakPolarHBondContact CG-O 3.48Å; P93-Y323 HydrophobicContact CB-CE2 3.74Å; P93-Y323 HydrophobicContact CG-CD2 4.1Å; P93-Y323 HydrophobicContact CG-CE2 3.5Å; P93-K356 PolarHBondContact O-NZ 3.06Å
94W79.8Confident70.4Confident81 Ų8160.6 Ų60.631%0.30736%0.362SS..SBendtrans-98.9-37.6-176.6-56.5-74000112.6D92 W210 F274 F276D92-W94 PolarHBondContact O-N 3.29Å; D92-W94 WeakPolarHBondContact OD1-CA 3.28Å; D92-W94 WeakPolarHBondContact OD1-CB 3.35Å; D92-W94 PolarHBondContact OD1-N 2.86Å; W94-W210 AromaticContact CE2-NE1 3.56Å; W94-W210 HydrophobicContact CH2-CZ2 4.4Å; W94-W210 AromaticContact CZ2-CE2 3.83Å; W94-W210 AromaticContact CZ2-CZ2 3.51Å; W94-W210 HydrophobicContact CZ2-CZ2 3.51Å; W94-W210 AromaticContact CZ2-NE1 3.76Å; W94-W210 AromaticContact NE1-CD1 3.72Å; W94-W210 AromaticContact NE1-CE2 3.78Å; W94-W210 AromaticContact NE1-NE1 3.23Å; W94-F274 HydrophobicContact CH2-CB 3.8Å; W94-F274 AromaticContact CH2-CD1 3.81Å; W94-F274 HydrophobicContact CH2-CD1 3.81Å; W94-F274 HydrophobicContact CH2-CG 4.15Å; W94-F274 HydrophobicContact CZ3-CB 3.96Å; W94-F274 HydrophobicContact CZ3-CD1 4.14Å; W94-F274 WeakPolarHBondContact CZ3-O 3.49Å; W94-F276 AromaticContact CH2-CE1 3.67Å; W94-F276 HydrophobicContact CH2-CE1 3.67Å; W94-F276 AromaticContact CH2-CZ 3.79Å; W94-F276 HydrophobicContact CH2-CZ 3.79Å; W94-F276 HydrophobicContact CZ2-CE1 4.07Å; W94-F276 HydrophobicContact CZ2-CZ 4.2Å
95T76.4Confident72.9Confident69 Ų6957.6 Ų57.642%0.42334%0.341SS..  trans-128.8132.8-169.4-48.70000112.4D92D92-T95 PolarHBondContact N-O 2.89Å; D92-T95 PolarHBondContact O-N 3.35Å; D92-T95 PolarHBondContact OD1-N 3.39Å
96V77.5Confident75Confident11 Ų1155.7 Ų55.77%0.06731%0.314CS..EExtended strand (participates in β ladder)trans-126.8117.8166178.90000107.7T90 V91 V104 F346 K356T90-V96 VanDerWaalsContact O-CA 3.29Å; T90-V96 WeakPolarHBondContact O-CA 3.28Å; V91-V96 HydrophobicContact CG1-CG2 4.46Å; V96-V104 HydrophobicContact CG1-CG2 3.83Å; V96-F346 HydrophobicContact CB-CE2 4.45Å; V96-F346 HydrophobicContact CG1-CD2 3.73Å; V96-F346 HydrophobicContact CG1-CE2 3.82Å; V96-F346 HydrophobicContact CG1-CG 4.34Å; V96-F346 HydrophobicContact CG2-CD1 4.2Å; V96-F346 HydrophobicContact CG2-CD2 4.14Å; V96-F346 HydrophobicContact CG2-CE1 3.82Å; V96-F346 HydrophobicContact CG2-CE2 3.73Å; V96-F346 HydrophobicContact CG2-CG 4.36Å; V96-F346 HydrophobicContact CG2-CZ 3.57Å; V96-K356 HydrophobicContact CB-CB 4.36Å; V96-K356 HydrophobicContact CB-CD 4.21Å; V96-K356 HydrophobicContact CB-CG 4.16Å; V96-K356 HydrophobicContact CG2-CD 3.76Å; V96-K356 HydrophobicContact CG2-CG 4.27Å
97S77.4Confident77Confident50 Ų5056.6 Ų56.635%0.3530%0.304SS..EExtended strand (participates in β ladder)trans-143.5135.7176.2620000111.5T90 Q354T90-S97 PolarHBondContact N-O 2.98Å; T90-S97 PolarHBondContact O-N 3.42Å; S97-Q354 WeakPolarHBondContact CA-O 3.44Å
98T81.4Confident78.5Confident14 Ų1453.6 Ų53.69%0.08629%0.289CS..  trans-137.7149.8173.4177.90000110.2D89 N100 V104 Q354D89-T98 WeakPolarHBondContact OD1-CB 3.31Å; D89-T98 PolarHBondContact OD1-OG1 2.67Å; T98-N100 VanDerWaalsContact C-N 3.3Å; T98-N100 WeakPolarHBondContact OG1-CB 3.39Å; T98-N100 PolarHBondContact OG1-N 3.22Å; T98-V104 HydrophobicContact CG2-CG2 4.27Å; T98-Q354 HydrophobicContact CG2-CB 4.44Å; T98-Q354 PolarHBondContact N-O 2.9Å; T98-Q354 WeakPolarHBondContact O-CB 3.41Å
99T79.3Confident78.7Confident104 Ų10449 Ų4964%0.63826%0.264SS*.SBendtrans-82.1-12.5170.854.30000112.1E87E87-T99 WeakPolarHBondContact OE2-CG2 3.4Å
100N78.8Confident78.4Confident71 Ų7148 Ų4838%0.3826%0.258SS..  trans-82123.4-178.8-170.4-8.8000111.6T98 K102 G103T98-N100 VanDerWaalsContact C-N 3.3Å; T98-N100 WeakPolarHBondContact OG1-CB 3.39Å; T98-N100 PolarHBondContact OG1-N 3.22Å; N100-K102 PolarHBondContact O-N 3.22Å; N100-K102 WeakPolarHBondContact OD1-CB 3.47Å; N100-K102 PolarHBondContact OD1-N 3.43Å; N100-G103 PolarHBondContact O-N 2.81Å
101A77Confident77.4Confident40 Ų4050.8 Ų50.833%0.33128%0.275SS..THydrogen-bonded Turntrans-64.7-20.7176.400000113.9G103 V403A101-G103 PolarHBondContact O-N 3.14Å; A101-V403 HydrophobicContact CB-CG1 4.38Å
102K75.9Confident76.4Confident114 Ų11455.5 Ų55.550%0.49630%0.304SS..THydrogen-bonded Turntrans-76.2-7.3172.5-63.1-171174.3-154.30113.2N100 D402 V403N100-K102 PolarHBondContact O-N 3.22Å; N100-K102 WeakPolarHBondContact OD1-CB 3.47Å; N100-K102 PolarHBondContact OD1-N 3.43Å; K102-D402 HydrophobicContact CD-CB 4.37Å; K102-D402 HydrophobicContact CG-CB 4.4Å; K102-D402 IonicContact NZ-OD2 3.63Å; K102-D402 PolarHBondContact NZ-OD2 3.06Å; K102-V403 HydrophobicContact CG-CG1 3.92Å
103G79.9Confident75.7Confident6 Ų658.3 Ų58.36%0.06231%0.311CS..  trans90.2-169.7-173.800000112.9N100 A101 A353N100-G103 PolarHBondContact O-N 2.81Å; A101-G103 PolarHBondContact O-N 3.14Å; G103-A353 WeakPolarHBondContact CA-O 3.48Å
104V80.5Confident75.4Confident9 Ų958.6 Ų58.66%0.05531%0.311CS..  trans-64.1137.8-174.2177.40000111.1D89 V91 V96 T98 Y106 L109 F346D89-V104 HydrophobicContact CB-CG1 4.46Å; V91-V104 HydrophobicContact CG2-CG1 4.09Å; V91-V104 HydrophobicContact CG2-CG2 4.44Å; V96-V104 HydrophobicContact CG1-CG2 3.83Å; T98-V104 HydrophobicContact CG2-CG2 4.27Å; V104-Y106 HydrophobicContact CB-CE1 4.2Å; V104-Y106 HydrophobicContact CB-CE2 4.47Å; V104-Y106 HydrophobicContact CG1-CD1 4.34Å; V104-Y106 HydrophobicContact CG1-CE1 4.28Å; V104-Y106 VanDerWaalsContact O-CD2 3.25Å; V104-Y106 WeakPolarHBondContact O-CD2 3.15Å; V104-Y106 WeakPolarHBondContact O-CE2 3.42Å; V104-Y106 PolarHBondContact O-N 3.2Å; V104-L109 HydrophobicContact CG1-CD2 3.99Å; V104-F346 HydrophobicContact CG2-CD2 4.33Å
105D81.5Confident75.5Confident75 Ų7557.1 Ų57.140%0.40132%0.321SS..  trans-77.692.9171.7-172.8-24.1000110.2D89 D107 K108 L109D89-D105 PolarHBondContact OD2-N 3.13Å; D105-D107 VanDerWaalsContact C-N 3.33Å; D105-D107 PolarHBondContact O-N 3.29Å; D105-D107 PolarHBondContact OD1-N 3.28Å; D105-D107 VanDerWaalsContact OD1-N 3.16Å; D105-K108 HydrophobicContact CB-CB 4.02Å; D105-K108 PolarHBondContact O-N 3.11Å; D105-K108 PolarHBondContact OD1-N 2.86Å; D105-L109 WeakPolarHBondContact O-CB 3.35Å; D105-L109 PolarHBondContact O-N 3.02Å
106Y79.7Confident76.1Confident54 Ų5454.5 Ų54.521%0.21231%0.306CS..Hα-helixtrans-66.2-29.7-177-68.4-66.4000113.9V104 L109 I110 F145 T345 F346V104-Y106 HydrophobicContact CB-CE1 4.2Å; V104-Y106 HydrophobicContact CB-CE2 4.47Å; V104-Y106 HydrophobicContact CG1-CD1 4.34Å; V104-Y106 HydrophobicContact CG1-CE1 4.28Å; V104-Y106 VanDerWaalsContact O-CD2 3.25Å; V104-Y106 WeakPolarHBondContact O-CD2 3.15Å; V104-Y106 WeakPolarHBondContact O-CE2 3.42Å; V104-Y106 PolarHBondContact O-N 3.2Å; Y106-L109 HydrophobicContact CD1-CD2 4.24Å; Y106-L109 WeakPolarHBondContact O-CB 3.44Å; Y106-L109 PolarHBondContact O-N 3.17Å; Y106-I110 WeakPolarHBondContact O-CG1 3.41Å; Y106-I110 PolarHBondContact O-N 2.76Å; Y106-F145 AromaticContact CD1-CE1 3.78Å; Y106-F145 HydrophobicContact CD1-CE1 3.78Å; Y106-F145 AromaticContact CD1-CE2 3.91Å; Y106-F145 HydrophobicContact CD1-CE2 3.91Å; Y106-F145 AromaticContact CD1-CZ 3.38Å; Y106-F145 HydrophobicContact CD1-CZ 3.38Å; Y106-F145 HydrophobicContact CE1-CE1 4.26Å; Y106-F145 HydrophobicContact CE1-CZ 4.23Å; Y106-F145 HydrophobicContact CG-CE1 4.4Å; Y106-F145 HydrophobicContact CG-CE2 4.07Å; Y106-F145 AromaticContact CG-CZ 3.99Å; Y106-F145 HydrophobicContact CG-CZ 3.99Å; Y106-T345 HydrophobicContact CD1-CG2 4.12Å; Y106-T345 HydrophobicContact CD2-CG2 3.87Å; Y106-T345 HydrophobicContact CE1-CG2 3.91Å; Y106-T345 HydrophobicContact CE2-CG2 3.65Å; Y106-T345 HydrophobicContact CG-CG2 4.11Å; Y106-F346 HydrophobicContact CE1-CD2 4.1Å; Y106-F346 HydrophobicContact CE1-CE2 4.4Å; Y106-F346 PolarHBondContact OH-N 2.87Å
107D79.2Confident76.7Confident82 Ų8256.9 Ų56.944%0.43932%0.323SS..Hα-helixtrans-72.6-42.5177.7-80.5-30.6000110.4D105 L109 I110 V111 K118D105-D107 VanDerWaalsContact C-N 3.33Å; D105-D107 PolarHBondContact O-N 3.29Å; D105-D107 PolarHBondContact OD1-N 3.28Å; D105-D107 VanDerWaalsContact OD1-N 3.16Å; D107-L109 VanDerWaalsContact C-N 3.28Å; D107-L109 PolarHBondContact O-N 2.82Å; D107-I110 PolarHBondContact O-N 3.48Å; D107-V111 PolarHBondContact O-N 3.05Å; D107-K118 IonicContact OD1-NZ 3.46Å; D107-K118 PolarHBondContact OD1-NZ 3.49Å; D107-K118 IonicContact OD2-NZ 2.72Å; D107-K118 PolarHBondContact OD2-NZ 2.88Å
108K77.8Confident77.5Confident94 Ų9460 Ų6041%0.40933%0.33SS..Hα-helixtrans-61.4-39171.3-166-177.8-173-171.20111.2D88 D105 V112D88-K108 IonicContact OD1-NZ 2.75Å; D88-K108 PolarHBondContact OD1-NZ 2.88Å; D105-K108 HydrophobicContact CB-CB 4.02Å; D105-K108 PolarHBondContact O-N 3.11Å; D105-K108 PolarHBondContact OD1-N 2.86Å; K108-V112 HydrophobicContact CG-CB 4.39Å; K108-V112 HydrophobicContact CG-CG2 4.14Å; K108-V112 WeakPolarHBondContact O-CB 3.47Å; K108-V112 PolarHBondContact O-N 3.21Å
109L73Confident78Confident6 Ų660.1 Ų60.13%0.03133%0.33CS..Iπ-helixtrans-64.4-40.6179.6-161.967.2000112.7V91 V104 D105 Y106 D107 R113 F114 I318V91-L109 HydrophobicContact CB-CD1 4.13Å; V91-L109 HydrophobicContact CG1-CD2 4.36Å; V91-L109 HydrophobicContact CG2-CD1 3.93Å; V91-L109 HydrophobicContact CG2-CD2 4.22Å; V104-L109 HydrophobicContact CG1-CD2 3.99Å; D105-L109 WeakPolarHBondContact O-CB 3.35Å; D105-L109 PolarHBondContact O-N 3.02Å; Y106-L109 HydrophobicContact CD1-CD2 4.24Å; Y106-L109 WeakPolarHBondContact O-CB 3.44Å; Y106-L109 PolarHBondContact O-N 3.17Å; D107-L109 VanDerWaalsContact C-N 3.28Å; D107-L109 PolarHBondContact O-N 2.82Å; L109-R113 HydrophobicContact CD1-CB 4.4Å; L109-F114 HydrophobicContact CD1-CD2 3.91Å; L109-F114 HydrophobicContact CD1-CE2 3.47Å; L109-F114 VanDerWaalsContact CD1-CE2 3.47Å; L109-F114 HydrophobicContact CD1-CZ 4.31Å; L109-F114 HydrophobicContact CD2-CD2 4.3Å; L109-F114 HydrophobicContact CD2-CE2 3.94Å; L109-F114 HydrophobicContact CG-CD2 3.65Å; L109-F114 HydrophobicContact CG-CE2 3.57Å; L109-F114 PolarHBondContact O-N 3.37Å; L109-F114 VanDerWaalsContact O-N 3.17Å; L109-I318 HydrophobicContact CD2-CD1 3.87Å; L109-I318 HydrophobicContact CD2-CG1 4.37Å; L109-I318 HydrophobicContact CD2-CG2 3.77Å; L109-I318 HydrophobicContact CG-CD1 4.25Å
110I72.3Confident78.7Confident5 Ų558.8 Ų58.83%0.02632%0.319CS..Iπ-helixtrans-62.2-57.4175.5-73.5161.9000111Y106 D107 G115 S116 K118 F145Y106-I110 WeakPolarHBondContact O-CG1 3.41Å; Y106-I110 PolarHBondContact O-N 2.76Å; D107-I110 PolarHBondContact O-N 3.48Å; I110-G115 WeakPolarHBondContact O-CA 3.11Å; I110-G115 PolarHBondContact O-N 3.29Å; I110-S116 VanDerWaalsContact CG2-O 3.27Å; I110-S116 WeakPolarHBondContact CG2-O 3.41Å; I110-S116 PolarHBondContact O-N 3.43Å; I110-K118 HydrophobicContact CD1-CB 4.15Å; I110-K118 HydrophobicContact CD1-CG 4.26Å; I110-F145 HydrophobicContact CD1-CD2 3.37Å; I110-F145 HydrophobicContact CD1-CE2 3.45Å; I110-F145 VanDerWaalsContact CD1-CE2 3.45Å; I110-F145 HydrophobicContact CG1-CD2 4.04Å; I110-F145 HydrophobicContact CG1-CE2 3.58Å
111V57.5Low79.4Confident114 Ų11461.2 Ų61.269%0.69133%0.328SS*.Iπ-helixtrans-80.1-43.5-164.7177.50000111.8D107D107-V111 PolarHBondContact O-N 3.05Å
112V58.7Low80.2Confident108 Ų10866.1 Ų66.166%0.65534%0.344SS*.Iπ-helixtrans-93.9-33.5-167.4-176.50000112.4K108K108-V112 HydrophobicContact CG-CB 4.39Å; K108-V112 HydrophobicContact CG-CG2 4.14Å; K108-V112 WeakPolarHBondContact O-CB 3.47Å; K108-V112 PolarHBondContact O-N 3.21Å
113R67.3Low81.1Confident105 Ų10560.7 Ų60.740%0.39632%0.321SS..Iπ-helixtrans-109.3-50.1-165.8-140.1-178.4-170.9176.913.4114.6D89 L109 R325D89-R113 PolarHBondContact O-NH1 3.04Å; D89-R113 PolarHBondContact O-NH2 3.2Å; L109-R113 HydrophobicContact CD1-CB 4.4Å; R113-R325 PolarHBondContact O-NH1 3.37Å
114F73.5Confident81.7Confident18 Ų1860.8 Ų60.88%0.07932%0.32CS..Iπ-helixtrans-96.3-24.6-176.8-66-51000113.4V91 L109 S116 R148 I318 P322V91-F114 HydrophobicContact CB-CE2 4.48Å; V91-F114 HydrophobicContact CB-CZ 4.37Å; V91-F114 HydrophobicContact CG1-CE2 4.13Å; V91-F114 HydrophobicContact CG1-CZ 4.16Å; L109-F114 HydrophobicContact CD1-CD2 3.91Å; L109-F114 HydrophobicContact CD1-CE2 3.47Å; L109-F114 VanDerWaalsContact CD1-CE2 3.47Å; L109-F114 HydrophobicContact CD1-CZ 4.31Å; L109-F114 HydrophobicContact CD2-CD2 4.3Å; L109-F114 HydrophobicContact CD2-CE2 3.94Å; L109-F114 HydrophobicContact CG-CD2 3.65Å; L109-F114 HydrophobicContact CG-CE2 3.57Å; L109-F114 PolarHBondContact O-N 3.37Å; L109-F114 VanDerWaalsContact O-N 3.17Å; F114-S116 VanDerWaalsContact C-N 3.33Å; F114-R148 PolarHBondContact O-NH2 2.84Å; F114-I318 HydrophobicContact CD2-CD1 3.86Å; F114-I318 HydrophobicContact CD2-CG1 3.89Å; F114-I318 HydrophobicContact CE2-CD1 4.32Å; F114-I318 HydrophobicContact CE2-CG1 4.02Å; F114-P322 HydrophobicContact CE1-CG 4.15Å
115G81.6Confident82.4Confident51 Ų5164 Ų6453%0.52634%0.337SS..  trans63.542.2-177.700000111.4I110 R148I110-G115 WeakPolarHBondContact O-CA 3.11Å; I110-G115 PolarHBondContact O-N 3.29Å; G115-R148 PolarHBondContact O-NH1 3.41Å
116S87.7Confident83Confident14 Ų1463 Ų6310%0.09833%0.328CS..  trans-93.2174.8173.858.70000110.3I110 F114 S146I110-S116 VanDerWaalsContact CG2-O 3.27Å; I110-S116 WeakPolarHBondContact CG2-O 3.41Å; I110-S116 PolarHBondContact O-N 3.43Å; F114-S116 VanDerWaalsContact C-N 3.33Å; S116-S146 WeakPolarHBondContact CB-OG 3.13Å; S116-S146 PolarHBondContact OG-OG 3.18Å
117S91.3Very high83.6Confident61 Ų6160.5 Ų60.543%0.42732%0.318SS..EExtended strand (participates in β ladder)trans-102.1139.6177.5-620000110.1S146 H147S117-S146 CarbonylContact O-C 3.59Å; S117-S146 WeakPolarHBondContact O-CA 3.31Å; S117-S146 PolarHBondContact O-OG 2.99Å; S117-H147 VanDerWaalsContact CB-NE2 3.33Å; S117-H147 WeakPolarHBondContact CB-NE2 3.4Å; S117-H147 PolarHBondContact N-O 2.72Å; S117-H147 PolarHBondContact O-CD2 3.32Å; S117-H147 PolarHBondContact O-N 3.08Å
118K93Very high84.3Confident114 Ų11460.5 Ų60.550%0.49632%0.315SS..EExtended strand (participates in β ladder)trans-73.9140.2173.7-174.6166.3-176.71600109.6D107 I110 D120 H147D107-K118 IonicContact OD1-NZ 3.46Å; D107-K118 PolarHBondContact OD1-NZ 3.49Å; D107-K118 IonicContact OD2-NZ 2.72Å; D107-K118 PolarHBondContact OD2-NZ 2.88Å; I110-K118 HydrophobicContact CD1-CB 4.15Å; I110-K118 HydrophobicContact CD1-CG 4.26Å; K118-D120 PolarHBondContact O-N 3.18Å; K118-H147 PolarHBondContact O-NE2 3.34Å
119I93.6Very high85.1Confident18 Ų1864.7 Ų64.79%0.09233%0.333CS..  trans-77.3111.4169.2-62.8175000107L123 V124 L139 F144 F145 H147 L342I119-L123 HydrophobicContact CB-CD2 4.43Å; I119-L123 HydrophobicContact CG1-CD2 4.12Å; I119-L123 HydrophobicContact CG2-CD2 4.17Å; I119-L123 HydrophobicContact CG2-CG 4.47Å; I119-V124 HydrophobicContact CG2-CG2 3.74Å; I119-L139 HydrophobicContact CD1-CD2 4.11Å; I119-L139 HydrophobicContact CG2-CD2 4.48Å; I119-F144 HydrophobicContact CD1-CB 4.42Å; I119-F145 PolarHBondContact N-O 2.8Å; I119-H147 HydrophobicContact CD1-CB 4.3Å; I119-H147 HydrophobicContact CG1-CB 3.98Å; I119-L342 HydrophobicContact CD1-CD2 3.69Å
120D93.3Very high85.9Confident76 Ų7665.6 Ų65.641%0.40634%0.339SS..  trans-94.4173.8175.158.917.8000111.6K118 E122 L123 V124K118-D120 PolarHBondContact O-N 3.18Å; D120-E122 PolarHBondContact O-N 3.25Å; D120-E122 PolarHBondContact OD1-N 2.96Å; D120-L123 PolarHBondContact O-N 3.19Å; D120-L123 VanDerWaalsContact OD1-CB 3.28Å; D120-L123 WeakPolarHBondContact OD1-CB 3.27Å; D120-L123 PolarHBondContact OD1-N 3.09Å; D120-V124 WeakPolarHBondContact O-CG2 3.27Å; D120-V124 PolarHBondContact O-N 3.4Å
121Q92.7Very high86.6Confident121 Ų12166.1 Ų66.157%0.56534%0.343SS*.Hα-helixtrans-63.5-33.6178.5-168.860.648.800111.6L123 V124 D125Q121-L123 PolarHBondContact O-N 3.1Å; Q121-V124 PolarHBondContact O-N 2.84Å; Q121-D125 PolarHBondContact NE2-OD1 3.43Å; Q121-D125 WeakPolarHBondContact O-CB 3.22Å; Q121-D125 PolarHBondContact O-N 3.24Å
122E94.4Very high88Confident143 Ų14364 Ų6467%0.66834%0.344SS*.Hα-helixtrans-61.2-44177.7-175.8-178.2163.800111.5D120 D125 R126D120-E122 PolarHBondContact O-N 3.25Å; D120-E122 PolarHBondContact OD1-N 2.96Å; E122-D125 PolarHBondContact O-N 2.92Å; E122-R126 VanDerWaalsContact O-CB 3.31Å; E122-R126 WeakPolarHBondContact O-CB 3.25Å; E122-R126 PolarHBondContact O-N 3.42Å
123L94.2Very high89.6Confident1 Ų163.6 Ų63.61%0.00534%0.335CS..Hα-helixtrans-66.2-39.1175.6-179.858.3000111.8I119 D120 Q121 R126 I127 M150 L154I119-L123 HydrophobicContact CB-CD2 4.43Å; I119-L123 HydrophobicContact CG1-CD2 4.12Å; I119-L123 HydrophobicContact CG2-CD2 4.17Å; I119-L123 HydrophobicContact CG2-CG 4.47Å; D120-L123 PolarHBondContact O-N 3.19Å; D120-L123 VanDerWaalsContact OD1-CB 3.28Å; D120-L123 WeakPolarHBondContact OD1-CB 3.27Å; D120-L123 PolarHBondContact OD1-N 3.09Å; Q121-L123 PolarHBondContact O-N 3.1Å; L123-R126 PolarHBondContact O-N 2.89Å; L123-I127 HydrophobicContact CD1-CD1 4.39Å; L123-I127 HydrophobicContact CD1-CG1 4.44Å; L123-I127 HydrophobicContact CG-CD1 4.21Å; L123-I127 VanDerWaalsContact O-CG1 3.28Å; L123-I127 WeakPolarHBondContact O-CG1 3.4Å; L123-I127 PolarHBondContact O-N 2.85Å; L123-M150 HydrophobicContact CD1-CB 4.44Å; L123-M150 HydrophobicContact CD1-CG 4.07Å; L123-M150 HydrophobicContact CD2-CB 4.2Å; L123-M150 HydrophobicContact CD2-CG 4.26Å; L123-L154 HydrophobicContact CD1-CD1 3.63Å
124V94.1Very high90.7Very high8 Ų864.9 Ų64.95%0.04834%0.344CS..Hα-helixtrans-63.1-46.6176.2176.30000111.1I119 D120 Q121 R126 I127 E128 P135 L139I119-V124 HydrophobicContact CG2-CG2 3.74Å; D120-V124 WeakPolarHBondContact O-CG2 3.27Å; D120-V124 PolarHBondContact O-N 3.4Å; Q121-V124 PolarHBondContact O-N 2.84Å; V124-R126 VanDerWaalsContact C-N 3.29Å; V124-R126 PolarHBondContact O-N 3.38Å; V124-I127 PolarHBondContact O-N 2.64Å; V124-E128 PolarHBondContact O-N 3.34Å; V124-P135 HydrophobicContact CG1-CB 3.87Å; V124-P135 HydrophobicContact CG1-CG 3.79Å; V124-L139 HydrophobicContact CG2-CB 4.43Å
125D94.6Very high91.7Very high77 Ų7764.2 Ų64.241%0.41234%0.341SS..Hα-helixtrans-64.3-36.8177.8-64.3-12.7000110.9Q121 E122 E128 K129Q121-D125 PolarHBondContact NE2-OD1 3.43Å; Q121-D125 WeakPolarHBondContact O-CB 3.22Å; Q121-D125 PolarHBondContact O-N 3.24Å; E122-D125 PolarHBondContact O-N 2.92Å; D125-E128 WeakPolarHBondContact O-CB 3.41Å; D125-E128 PolarHBondContact O-N 3.15Å; D125-K129 WeakPolarHBondContact O-CB 3.17Å; D125-K129 PolarHBondContact O-N 3.21Å
126R94Very high92.4Very high53 Ų5362.6 Ų62.620%0.232%0.32CS..Hα-helixtrans-65.2-43.2173.9-169.8179.6174.3-164.8-9.4111.5E122 L123 V124 E128 K129 V130 H151 L154 D155 E158E122-R126 VanDerWaalsContact O-CB 3.31Å; E122-R126 WeakPolarHBondContact O-CB 3.25Å; E122-R126 PolarHBondContact O-N 3.42Å; L123-R126 PolarHBondContact O-N 2.89Å; V124-R126 VanDerWaalsContact C-N 3.29Å; V124-R126 PolarHBondContact O-N 3.38Å; R126-E128 VanDerWaalsContact C-N 3.33Å; R126-E128 PolarHBondContact O-N 3.04Å; R126-K129 PolarHBondContact O-N 3.12Å; R126-V130 HydrophobicContact CG-CG2 4.33Å; R126-V130 WeakPolarHBondContact O-CB 3.41Å; R126-V130 VanDerWaalsContact O-CG2 3.23Å; R126-V130 WeakPolarHBondContact O-CG2 3.44Å; R126-V130 PolarHBondContact O-N 3.04Å; R126-H151 PolarHBondContact NH1-ND1 3.16Å; R126-L154 HydrophobicContact CB-CD1 4.42Å; R126-L154 HydrophobicContact CG-CD1 3.97Å; R126-D155 IonicContact CZ-OD1 3.63Å; R126-D155 IonicContact NH1-OD1 3.41Å; R126-D155 PolarHBondContact NH1-OD1 2.94Å; R126-D155 IonicContact NH2-OD1 2.79Å; R126-D155 PolarHBondContact NH2-OD1 3.14Å; R126-E158 IonicContact CZ-OE1 2.82Å; R126-E158 IonicContact CZ-OE2 2.84Å; R126-E158 IonicContact NE-OE1 2.68Å; R126-E158 IonicContact NH2-OE1 3.32Å; R126-E158 PolarHBondContact NH2-OE1 3.01Å; R126-E158 IonicContact NH2-OE2 3.23Å; R126-E158 PolarHBondContact NH2-OE2 2.82Å
127I93.1Very high92.7Very high2 Ų263.3 Ų63.31%0.0132%0.32CS..Hα-helixtrans-59.5-46.4175.6-70.4164.8000110L123 V124 K129 V130 C131 L139 M150 L154 W189L123-I127 HydrophobicContact CD1-CD1 4.39Å; L123-I127 HydrophobicContact CD1-CG1 4.44Å; L123-I127 HydrophobicContact CG-CD1 4.21Å; L123-I127 VanDerWaalsContact O-CG1 3.28Å; L123-I127 WeakPolarHBondContact O-CG1 3.4Å; L123-I127 PolarHBondContact O-N 2.85Å; V124-I127 PolarHBondContact O-N 2.64Å; I127-K129 VanDerWaalsContact C-N 3.35Å; I127-K129 PolarHBondContact O-N 3.35Å; I127-V130 PolarHBondContact O-N 2.86Å; I127-C131 PolarHBondContact O-N 3.36Å; I127-C131 PolarHBondContact O-SG 3.32Å; I127-L139 HydrophobicContact CD1-CD1 4.04Å; I127-L139 HydrophobicContact CG2-CD1 4.28Å; I127-M150 HydrophobicContact CD1-CE 4.32Å; I127-M150 HydrophobicContact CG1-CE 4.42Å; I127-L154 HydrophobicContact CG1-CD1 4.04Å; I127-L154 HydrophobicContact CG1-CD2 4.28Å; I127-W189 HydrophobicContact CG2-CH2 4.01Å
128E93.6Very high92.9Very high82 Ų8260.4 Ų60.438%0.38330%0.3SS..Hα-helixtrans-55.8-48.2176.2-176.3159.1-14500112.1V124 D125 R126 V130 G132 P135V124-E128 PolarHBondContact O-N 3.34Å; D125-E128 WeakPolarHBondContact O-CB 3.41Å; D125-E128 PolarHBondContact O-N 3.15Å; R126-E128 VanDerWaalsContact C-N 3.33Å; R126-E128 PolarHBondContact O-N 3.04Å; E128-V130 VanDerWaalsContact C-N 3.32Å; E128-V130 PolarHBondContact O-N 3.49Å; E128-G132 WeakPolarHBondContact O-CA 3.48Å; E128-G132 PolarHBondContact O-N 2.97Å; E128-P135 HydrophobicContact CB-CG 3.66Å; E128-P135 VanDerWaalsContact CD-CD 3.44Å; E128-P135 HydrophobicContact CG-CG 4.23Å; E128-P135 WeakPolarHBondContact OE1-CD 3.37Å
129K92.9Very high93Very high181 Ų18155.3 Ų55.379%0.78728%0.278SS*.Hα-helixtrans-62.7-39.4179.9-175.2179.8178.3-1760112.3D125 R126 I127D125-K129 WeakPolarHBondContact O-CB 3.17Å; D125-K129 PolarHBondContact O-N 3.21Å; R126-K129 PolarHBondContact O-N 3.12Å; I127-K129 VanDerWaalsContact C-N 3.35Å; I127-K129 PolarHBondContact O-N 3.35Å
130V89.8Confident93Very high26 Ų2658.2 Ų58.216%0.15829%0.288CS..Hα-helixtrans-76.3-41.9-177173.40000111.7R126 I127 E128 L154 Y157 E158 F194R126-V130 HydrophobicContact CG-CG2 4.33Å; R126-V130 WeakPolarHBondContact O-CB 3.41Å; R126-V130 VanDerWaalsContact O-CG2 3.23Å; R126-V130 WeakPolarHBondContact O-CG2 3.44Å; R126-V130 PolarHBondContact O-N 3.04Å; I127-V130 PolarHBondContact O-N 2.86Å; E128-V130 VanDerWaalsContact C-N 3.32Å; E128-V130 PolarHBondContact O-N 3.49Å; V130-L154 HydrophobicContact CB-CD2 4.33Å; V130-L154 HydrophobicContact CG1-CD2 4.17Å; V130-L154 HydrophobicContact CG2-CD2 4.43Å; V130-Y157 HydrophobicContact CG1-CD1 3.3Å; V130-Y157 HydrophobicContact CG1-CE1 3.72Å; V130-Y157 HydrophobicContact CG1-CG 4.35Å; V130-E158 HydrophobicContact CG2-CG 3.97Å; V130-E158 VanDerWaalsContact CG2-OE1 3.28Å; V130-E158 WeakPolarHBondContact CG2-OE1 3.47Å; V130-F194 HydrophobicContact CG1-CE1 4.11Å
131C87.1Confident93Very high16 Ų1657 Ų5711%0.10828%0.278CS..Hα-helixtrans-86.2-15.3-178.773.90000113.7I127 Q133 V193I127-C131 PolarHBondContact O-N 3.36Å; I127-C131 PolarHBondContact O-SG 3.32Å; C131-Q133 PolarHBondContact O-N 2.85Å; C131-Q133 PolarHBondContact SG-N 2.75Å; C131-Q133 PolarHBondContact SG-O 2.93Å; C131-V193 HydrophobicContact CB-CB 4.08Å; C131-V193 HydrophobicContact CB-CG2 4.24Å
132G88.6Confident93Very high68 Ų6853 Ų5370%0.70127%0.268SS*.SBendtrans65.916.8-178.500000113.9E128E128-G132 WeakPolarHBondContact O-CA 3.48Å; E128-G132 PolarHBondContact O-N 2.97Å
133Q90.8Very high93Very high101 Ų10146.4 Ų46.447%0.47224%0.238SC..SBendtrans-130.5153-179.9-64.1-164.119.200111.2C131C131-Q133 PolarHBondContact O-N 2.85Å; C131-Q133 PolarHBondContact SG-N 2.75Å; C131-Q133 PolarHBondContact SG-O 2.93Å
134K91.9Very high93Very high132 Ų13246.4 Ų46.457%0.57424%0.238SC*.PPolyproline II helixtrans-54.9126.8174.6-168.6-178.6-173.8-176.60109.7H136 R140K134-H136 PolarHBondContact O-N 2.89Å; K134-R140 VanDerWaalsContact CE-CZ 3.48Å
135P93.8Very high93Very high3 Ų346.8 Ų46.82%0.01924%0.239CC..PPolyproline II helixtrans-53.5141.8178.9-30.235.8000111.8V124 E128 R137 L139 R140V124-P135 HydrophobicContact CG1-CB 3.87Å; V124-P135 HydrophobicContact CG1-CG 3.79Å; E128-P135 HydrophobicContact CB-CG 3.66Å; E128-P135 VanDerWaalsContact CD-CD 3.44Å; E128-P135 HydrophobicContact CG-CG 4.23Å; E128-P135 WeakPolarHBondContact OE1-CD 3.37Å; P135-R137 PolarHBondContact O-N 3.22Å; P135-L139 HydrophobicContact CB-CB 4.46Å; P135-L139 HydrophobicContact CB-CD1 4.45Å; P135-R140 HydrophobicContact CB-CG 4.12Å; P135-R140 PolarHBondContact O-NH1 2.86Å
136H95.7Very high93Very high18 Ų1843.1 Ų43.18%0.08322%0.219CC..PPolyproline II helixtrans-54144176.9-164.6-99.1000110.8K134 F138 L139 R140 F186 W189K134-H136 PolarHBondContact O-N 2.89Å; H136-F138 AromaticContact CE1-CD2 3.21Å; H136-F138 WeakPolarHBondContact CE1-CD2 3.34Å; H136-F138 AromaticContact CE1-CE2 3.49Å; H136-F138 VanDerWaalsContact CE1-CE2 3.49Å; H136-F138 WeakPolarHBondContact CE1-CE2 3.47Å; H136-F138 AromaticContact CE1-CG 3.48Å; H136-F138 VanDerWaalsContact CE1-CG 3.48Å; H136-F138 WeakPolarHBondContact CE1-CG 3.36Å; H136-F138 WeakPolarHBondContact ND1-CB 3.36Å; H136-F138 AromaticContact ND1-CD2 3.26Å; H136-F138 VanDerWaalsContact ND1-CD2 3.26Å; H136-F138 WeakPolarHBondContact ND1-CD2 3.33Å; H136-F138 AromaticContact ND1-CG 3.26Å; H136-F138 VanDerWaalsContact ND1-CG 3.26Å; H136-F138 WeakPolarHBondContact ND1-CG 3.41Å; H136-F138 PolarHBondContact ND1-N 3.17Å; H136-F138 VanDerWaalsContact ND1-N 3.18Å; H136-F138 PolarHBondContact O-N 3.2Å; H136-L139 WeakPolarHBondContact O-CB 3.33Å; H136-L139 PolarHBondContact O-N 3.45Å; H136-R140 PolarHBondContact O-N 2.95Å; H136-F186 HydrophobicContact CB-CD2 4.14Å; H136-F186 HydrophobicContact CB-CE2 3.96Å; H136-F186 AromaticContact ND1-CD2 3.9Å; H136-W189 HydrophobicContact CB-CD2 3.61Å; H136-W189 HydrophobicContact CB-CE3 3.78Å; H136-W189 HydrophobicContact CB-CG 4.09Å; H136-W189 HydrophobicContact CB-CH2 4.18Å; H136-W189 HydrophobicContact CB-CZ2 4.02Å; H136-W189 HydrophobicContact CB-CZ3 4.06Å; H136-W189 AromaticContact CD2-CD1 3.78Å; H136-W189 AromaticContact CD2-CG 3.61Å; H136-W189 VanDerWaalsContact N-CZ2 3.33Å
137R94.8Very high93.1Very high28 Ų2840.9 Ų40.911%0.10621%0.211CC..Hα-helixtrans-53.1-29.4178.465.1-177177.1-87.9-5.4113P135 L139 R140 R141 F412 E415P135-R137 PolarHBondContact O-N 3.22Å; R137-L139 VanDerWaalsContact C-N 3.32Å; R137-L139 PolarHBondContact O-N 2.86Å; R137-R140 PolarHBondContact O-N 2.8Å; R137-R141 VanDerWaalsContact O-CB 3.27Å; R137-R141 WeakPolarHBondContact O-CB 3.34Å; R137-R141 VanDerWaalsContact O-CG 3.28Å; R137-R141 WeakPolarHBondContact O-CG 3.37Å; R137-R141 PolarHBondContact O-N 3.31Å; R137-F412 PolarHBondContact NE-O 3.34Å; R137-E415 IonicContact NH1-OE1 2.74Å; R137-E415 PolarHBondContact NH1-OE1 3.33Å
138F95.9Very high93.2Very high0 Ų041.9 Ų41.90%022%0.215CC..Hα-helixtrans-67.7-29.1176.9-64.2-26.3000114.2H136 V143 F144 I182 I185 F186 F412H136-F138 AromaticContact CE1-CD2 3.21Å; H136-F138 WeakPolarHBondContact CE1-CD2 3.34Å; H136-F138 AromaticContact CE1-CE2 3.49Å; H136-F138 VanDerWaalsContact CE1-CE2 3.49Å; H136-F138 WeakPolarHBondContact CE1-CE2 3.47Å; H136-F138 AromaticContact CE1-CG 3.48Å; H136-F138 VanDerWaalsContact CE1-CG 3.48Å; H136-F138 WeakPolarHBondContact CE1-CG 3.36Å; H136-F138 WeakPolarHBondContact ND1-CB 3.36Å; H136-F138 AromaticContact ND1-CD2 3.26Å; H136-F138 VanDerWaalsContact ND1-CD2 3.26Å; H136-F138 WeakPolarHBondContact ND1-CD2 3.33Å; H136-F138 AromaticContact ND1-CG 3.26Å; H136-F138 VanDerWaalsContact ND1-CG 3.26Å; H136-F138 WeakPolarHBondContact ND1-CG 3.41Å; H136-F138 PolarHBondContact ND1-N 3.17Å; H136-F138 VanDerWaalsContact ND1-N 3.18Å; H136-F138 PolarHBondContact O-N 3.2Å; F138-V143 HydrophobicContact CB-CB 3.83Å; F138-V143 HydrophobicContact CB-CG1 4.1Å; F138-V143 HydrophobicContact CD1-CB 3.88Å; F138-V143 HydrophobicContact CD1-CG1 3.83Å; F138-V143 HydrophobicContact CD1-CG2 3.97Å; F138-V143 HydrophobicContact CE1-CG1 4.39Å; F138-V143 HydrophobicContact CG-CB 4.1Å; F138-V143 HydrophobicContact CG-CG1 3.97Å; F138-V143 WeakPolarHBondContact O-CA 3.49Å; F138-V143 PolarHBondContact O-N 2.68Å; F138-F144 HydrophobicContact CB-CD2 3.85Å; F138-F144 HydrophobicContact CD2-CD2 4.22Å; F138-F144 HydrophobicContact CD2-CE2 4.13Å; F138-F144 HydrophobicContact CG-CD2 4.39Å; F138-F144 PolarHBondContact O-N 2.99Å; F138-I182 HydrophobicContact CD2-CG2 4.46Å; F138-I182 HydrophobicContact CE1-CD1 4.38Å; F138-I182 HydrophobicContact CE2-CG2 4Å; F138-I182 HydrophobicContact CZ-CD1 3.85Å; F138-I182 HydrophobicContact CZ-CG2 4.09Å; F138-I185 HydrophobicContact CE2-CB 4.19Å; F138-I185 HydrophobicContact CE2-CG2 3.94Å; F138-I185 HydrophobicContact CZ-CG2 4.35Å; F138-F186 HydrophobicContact CB-CD2 4.34Å; F138-F186 HydrophobicContact CD2-CB 3.94Å; F138-F186 HydrophobicContact CD2-CD2 4.08Å; F138-F186 HydrophobicContact CD2-CG 4.31Å; F138-F186 HydrophobicContact CE2-CB 4.33Å; F138-F412 HydrophobicContact CE1-CB 4.18Å; F138-F412 HydrophobicContact CE1-CD1 4.17Å; F138-F412 WeakPolarHBondContact CE1-O 3.33Å
139L94.6Very high93.3Very high8 Ų839.9 Ų39.94%0.04221%0.206CC..Hα-helixtrans-76.1-48170.2-68.7169.4000109.9I119 V124 I127 P135 H136 R137 R141 G142 F144 F186 W189I119-L139 HydrophobicContact CD1-CD2 4.11Å; I119-L139 HydrophobicContact CG2-CD2 4.48Å; V124-L139 HydrophobicContact CG2-CB 4.43Å; I127-L139 HydrophobicContact CD1-CD1 4.04Å; I127-L139 HydrophobicContact CG2-CD1 4.28Å; P135-L139 HydrophobicContact CB-CB 4.46Å; P135-L139 HydrophobicContact CB-CD1 4.45Å; H136-L139 WeakPolarHBondContact O-CB 3.33Å; H136-L139 PolarHBondContact O-N 3.45Å; R137-L139 VanDerWaalsContact C-N 3.32Å; R137-L139 PolarHBondContact O-N 2.86Å; L139-R141 VanDerWaalsContact C-N 3.25Å; L139-R141 PolarHBondContact O-N 2.91Å; L139-G142 PolarHBondContact O-N 2.92Å; L139-G142 VanDerWaalsContact O-N 3.17Å; L139-F144 HydrophobicContact CD2-CB 4.06Å; L139-F186 HydrophobicContact CD1-CE2 4.1Å; L139-F186 HydrophobicContact CD1-CZ 4.11Å; L139-F186 HydrophobicContact CD2-CE2 4.43Å; L139-F186 HydrophobicContact CD2-CZ 3.98Å; L139-F186 HydrophobicContact CG-CE2 3.9Å; L139-F186 HydrophobicContact CG-CZ 3.93Å; L139-W189 HydrophobicContact CD1-CH2 3.92Å; L139-W189 HydrophobicContact CD1-CZ3 3.93Å
140R92.9Very high93.4Very high79 Ų7931.3 Ų31.330%0.29817%0.169SC..Hα-helixtrans-59.4-34-178.3-56.3-163.8-54.9-106.44.1113.6K134 P135 H136 R137 D417K134-R140 VanDerWaalsContact CE-CZ 3.48Å; P135-R140 HydrophobicContact CB-CG 4.12Å; P135-R140 PolarHBondContact O-NH1 2.86Å; H136-R140 PolarHBondContact O-N 2.95Å; R137-R140 PolarHBondContact O-N 2.8Å; R140-D417 IonicContact CZ-OD2 3.83Å; R140-D417 VanDerWaalsContact CZ-OD2 3.23Å; R140-D417 IonicContact NE-OD2 3.83Å; R140-D417 PolarHBondContact NE-OD2 3.11Å; R140-D417 IonicContact NH2-OD1 2.67Å; R140-D417 IonicContact NH2-OD2 2.76Å; R140-D417 PolarHBondContact NH2-OD2 3.22Å
141R93.7Very high93.6Very high51 Ų5133.4 Ų33.419%0.19218%0.177CC..THydrogen-bonded Turntrans-99.36.2-176.9-59.8176.1-174.6177.2-1.7113.6R137 L139 V143 T411 L414 E415 D417R137-R141 VanDerWaalsContact O-CB 3.27Å; R137-R141 WeakPolarHBondContact O-CB 3.34Å; R137-R141 VanDerWaalsContact O-CG 3.28Å; R137-R141 WeakPolarHBondContact O-CG 3.37Å; R137-R141 PolarHBondContact O-N 3.31Å; L139-R141 VanDerWaalsContact C-N 3.25Å; L139-R141 PolarHBondContact O-N 2.91Å; R141-V143 VanDerWaalsContact C-N 3.25Å; R141-V143 PolarHBondContact O-N 3.38Å; R141-T411 VanDerWaalsContact CD-O 3.24Å; R141-T411 WeakPolarHBondContact CD-O 3.38Å; R141-T411 PolarHBondContact NH1-O 3.01Å; R141-L414 PolarHBondContact NH1-O 3.2Å; R141-L414 PolarHBondContact NH2-O 2.81Å; R141-E415 PolarHBondContact NH2-O 3.49Å; R141-D417 IonicContact CZ-OD1 3.68Å; R141-D417 IonicContact NE-OD1 3.69Å; R141-D417 PolarHBondContact NE-OD1 3.23Å; R141-D417 IonicContact NH2-OD1 3.84Å; R141-D417 PolarHBondContact NH2-OD1 2.82Å
142G92.5Very high93.8Very high35 Ų3537.1 Ų37.136%0.36119%0.193SC..THydrogen-bonded Turntrans62.929.2-178.800000114L139 F145L139-G142 PolarHBondContact O-N 2.92Å; L139-G142 VanDerWaalsContact O-N 3.17Å; G142-F145 WeakPolarHBondContact O-CB 3.46Å
143V93.6Very high94Very high5 Ų533.9 Ų33.93%0.0316%0.159CC..SBendtrans-73-45.9168.7169.10000109.3F138 R141 I182 S344 T345 F412F138-V143 HydrophobicContact CB-CB 3.83Å; F138-V143 HydrophobicContact CB-CG1 4.1Å; F138-V143 HydrophobicContact CD1-CB 3.88Å; F138-V143 HydrophobicContact CD1-CG1 3.83Å; F138-V143 HydrophobicContact CD1-CG2 3.97Å; F138-V143 HydrophobicContact CE1-CG1 4.39Å; F138-V143 HydrophobicContact CG-CB 4.1Å; F138-V143 HydrophobicContact CG-CG1 3.97Å; F138-V143 WeakPolarHBondContact O-CA 3.49Å; F138-V143 PolarHBondContact O-N 2.68Å; R141-V143 VanDerWaalsContact C-N 3.25Å; R141-V143 PolarHBondContact O-N 3.38Å; V143-I182 HydrophobicContact CG1-CG2 3.97Å; V143-S344 CarbonylContact O-C 3.32Å; V143-S344 WeakPolarHBondContact O-CA 3.48Å; V143-T345 PolarHBondContact O-N 2.82Å; V143-T345 PolarHBondContact O-OG1 3.4Å; V143-F412 HydrophobicContact CB-CD1 4.5Å; V143-F412 HydrophobicContact CB-CE1 4.3Å; V143-F412 HydrophobicContact CG1-CD1 3.74Å; V143-F412 HydrophobicContact CG1-CE1 3.46Å; V143-F412 VanDerWaalsContact CG1-CE1 3.46Å; V143-F412 HydrophobicContact CG2-CD1 3.92Å; V143-F412 HydrophobicContact CG2-CE1 3.88Å; V143-F412 HydrophobicContact CG2-CZ 4.44Å
144F95.4Very high94.1Very high1 Ų129 Ų290%0.00414%0.137CC..EExtended strand (participates in β ladder)trans-91.5111.2160.6-84.2-97000107.2I119 F138 L139 I182 F186 P315 L342 H343I119-F144 HydrophobicContact CD1-CB 4.42Å; F138-F144 HydrophobicContact CB-CD2 3.85Å; F138-F144 HydrophobicContact CD2-CD2 4.22Å; F138-F144 HydrophobicContact CD2-CE2 4.13Å; F138-F144 HydrophobicContact CG-CD2 4.39Å; F138-F144 PolarHBondContact O-N 2.99Å; L139-F144 HydrophobicContact CD2-CB 4.06Å; F144-I182 HydrophobicContact CE2-CG2 4.44Å; F144-F186 HydrophobicContact CB-CE1 4.44Å; F144-F186 HydrophobicContact CB-CZ 4.45Å; F144-F186 AromaticContact CD1-CD1 3.81Å; F144-F186 HydrophobicContact CD1-CD1 3.81Å; F144-F186 AromaticContact CD1-CE1 3.66Å; F144-F186 HydrophobicContact CD1-CE1 3.66Å; F144-F186 HydrophobicContact CD1-CZ 4.45Å; F144-F186 HydrophobicContact CD2-CB 4.27Å; F144-F186 AromaticContact CD2-CD1 3.69Å; F144-F186 HydrophobicContact CD2-CD1 3.69Å; F144-F186 HydrophobicContact CD2-CD2 4.14Å; F144-F186 AromaticContact CD2-CE1 3.98Å; F144-F186 HydrophobicContact CD2-CE1 3.98Å; F144-F186 HydrophobicContact CD2-CE2 4.43Å; F144-F186 AromaticContact CD2-CG 3.76Å; F144-F186 HydrophobicContact CD2-CG 3.76Å; F144-F186 HydrophobicContact CD2-CZ 4.35Å; F144-F186 AromaticContact CE1-CD1 3.47Å; F144-F186 HydrophobicContact CE1-CD1 3.47Å; F144-F186 VanDerWaalsContact CE1-CD1 3.47Å; F144-F186 AromaticContact CE1-CE1 3.77Å; F144-F186 HydrophobicContact CE1-CE1 3.77Å; F144-F186 HydrophobicContact CE1-CG 4.36Å; F144-F186 HydrophobicContact CE2-CB 3.46Å; F144-F186 VanDerWaalsContact CE2-CB 3.46Å; F144-F186 AromaticContact CE2-CD1 3.36Å; F144-F186 HydrophobicContact CE2-CD1 3.36Å; F144-F186 HydrophobicContact CE2-CD2 4.18Å; F144-F186 HydrophobicContact CE2-CE1 4.09Å; F144-F186 AromaticContact CE2-CG 3.39Å; F144-F186 HydrophobicContact CE2-CG 3.39Å; F144-F186 AromaticContact CG-CD1 3.9Å; F144-F186 HydrophobicContact CG-CD1 3.9Å; F144-F186 AromaticContact CG-CE1 3.75Å; F144-F186 HydrophobicContact CG-CE1 3.75Å; F144-F186 HydrophobicContact CG-CG 4.38Å; F144-F186 HydrophobicContact CG-CZ 4.16Å; F144-F186 HydrophobicContact CZ-CB 3.78Å; F144-F186 AromaticContact CZ-CD1 3.22Å; F144-F186 HydrophobicContact CZ-CD1 3.22Å; F144-F186 AromaticContact CZ-CE1 3.97Å; F144-F186 HydrophobicContact CZ-CE1 3.97Å; F144-F186 AromaticContact CZ-CG 3.72Å; F144-F186 HydrophobicContact CZ-CG 3.72Å; F144-P315 HydrophobicContact CE1-CB 4.29Å; F144-L342 HydrophobicContact CD1-CB 3.87Å; F144-L342 HydrophobicContact CE1-CB 4.16Å; F144-L342 WeakPolarHBondContact CE1-O 3.3Å; F144-H343 WeakPolarHBondContact CA-O 3.34Å; F144-H343 VanDerWaalsContact CD1-C 3.5Å
145F93.1Very high94.1Very high16 Ų1625.6 Ų25.67%0.0713%0.125CC..EExtended strand (participates in β ladder)trans-124.5-16.2-163.873-77.8000113.4Y106 I110 I119 G142 I318 H343 T345Y106-F145 AromaticContact CD1-CE1 3.78Å; Y106-F145 HydrophobicContact CD1-CE1 3.78Å; Y106-F145 AromaticContact CD1-CE2 3.91Å; Y106-F145 HydrophobicContact CD1-CE2 3.91Å; Y106-F145 AromaticContact CD1-CZ 3.38Å; Y106-F145 HydrophobicContact CD1-CZ 3.38Å; Y106-F145 HydrophobicContact CE1-CE1 4.26Å; Y106-F145 HydrophobicContact CE1-CZ 4.23Å; Y106-F145 HydrophobicContact CG-CE1 4.4Å; Y106-F145 HydrophobicContact CG-CE2 4.07Å; Y106-F145 AromaticContact CG-CZ 3.99Å; Y106-F145 HydrophobicContact CG-CZ 3.99Å; I110-F145 HydrophobicContact CD1-CD2 3.37Å; I110-F145 HydrophobicContact CD1-CE2 3.45Å; I110-F145 VanDerWaalsContact CD1-CE2 3.45Å; I110-F145 HydrophobicContact CG1-CD2 4.04Å; I110-F145 HydrophobicContact CG1-CE2 3.58Å; I119-F145 PolarHBondContact N-O 2.8Å; G142-F145 WeakPolarHBondContact O-CB 3.46Å; F145-I318 HydrophobicContact CE1-CD1 4.33Å; F145-I318 HydrophobicContact CE2-CD1 4.25Å; F145-I318 HydrophobicContact CZ-CB 4.41Å; F145-I318 HydrophobicContact CZ-CD1 3.52Å; F145-I318 HydrophobicContact CZ-CG2 4.47Å; F145-H343 WeakPolarHBondContact CD1-O 3.42Å; F145-H343 PolarHBondContact N-O 3.28Å; F145-T345 HydrophobicContact CD1-CG2 3.55Å; F145-T345 HydrophobicContact CE1-CG2 3.88Å; F145-T345 HydrophobicContact CG-CG2 4.24Å
146S94.5Very high93.8Very high0 Ų026.3 Ų26.30%013%0.131CC..EExtended strand (participates in β ladder)trans-133.6151.6-177.3161.70000110.8S116 S117 H343S116-S146 WeakPolarHBondContact CB-OG 3.13Å; S116-S146 PolarHBondContact OG-OG 3.18Å; S117-S146 CarbonylContact O-C 3.59Å; S117-S146 WeakPolarHBondContact O-CA 3.31Å; S117-S146 PolarHBondContact O-OG 2.99Å; S146-H343 PolarHBondContact O-N 3.37Å; S146-H343 PolarHBondContact OG-ND1 2.85Å
147H96Very high93.5Very high7 Ų728.7 Ų28.73%0.03214%0.14CC..EExtended strand (participates in β ladder)trans-146.5168.9179.876.2100.1000112.4S117 K118 I119 M150 L341 L342S117-H147 VanDerWaalsContact CB-NE2 3.33Å; S117-H147 WeakPolarHBondContact CB-NE2 3.4Å; S117-H147 PolarHBondContact N-O 2.72Å; S117-H147 PolarHBondContact O-CD2 3.32Å; S117-H147 PolarHBondContact O-N 3.08Å; K118-H147 PolarHBondContact O-NE2 3.34Å; I119-H147 HydrophobicContact CD1-CB 4.3Å; I119-H147 HydrophobicContact CG1-CB 3.98Å; H147-M150 HydrophobicContact CB-CB 4.07Å; H147-M150 VanDerWaalsContact ND1-CB 3.34Å; H147-M150 WeakPolarHBondContact ND1-CB 3.48Å; H147-L341 CarbonylContact C-O 3.46Å; H147-L341 WeakPolarHBondContact CA-O 3.49Å; H147-L341 VanDerWaalsContact CB-O 3.3Å; H147-L341 WeakPolarHBondContact CB-O 3.35Å; H147-L342 HydrophobicContact CB-CD2 3.84Å
148R95.8Very high93.3Very high23 Ų2331.8 Ų31.89%0.08716%0.155CC..EExtended strand (participates in β ladder)trans-136.9128.4165-60.9-176.4-177.8-80.44.4109.1F114 G115 M150 D321 A340 L341F114-R148 PolarHBondContact O-NH2 2.84Å; G115-R148 PolarHBondContact O-NH1 3.41Å; R148-M150 PolarHBondContact O-N 3.42Å; R148-D321 IonicContact CZ-OD1 3.45Å; R148-D321 IonicContact CZ-OD2 3.49Å; R148-D321 IonicContact NE-OD1 3.23Å; R148-D321 PolarHBondContact NE-OD1 2.94Å; R148-D321 IonicContact NE-OD2 3.43Å; R148-D321 IonicContact NH2-OD1 2.76Å; R148-D321 PolarHBondContact NH2-OD1 3.44Å; R148-D321 IonicContact NH2-OD2 3.53Å; R148-D321 PolarHBondContact NH2-OD2 2.84Å; R148-A340 CarbonylContact O-C 3.43Å; R148-A340 VanDerWaalsContact O-CA 3.24Å; R148-A340 WeakPolarHBondContact O-CA 3.43Å; R148-A340 WeakPolarHBondContact O-CB 3.34Å; R148-L341 HydrophobicContact CB-CB 4.16Å; R148-L341 HydrophobicContact CB-CD1 4.18Å; R148-L341 HydrophobicContact CG-CB 4.39Å; R148-L341 HydrophobicContact CG-CD1 4.49Å; R148-L341 PolarHBondContact N-O 2.71Å; R148-L341 PolarHBondContact O-N 3.03Å
149D95.3Very high92.9Very high39 Ų3938.4 Ų38.421%0.20918%0.184CC..SBendtrans54.921.3176-61.4-15.5000115.7H151 Q152 V153 R328 A340D149-H151 PolarHBondContact O-N 2.89Å; D149-Q152 HydrophobicContact CB-CB 4.36Å; D149-Q152 HydrophobicContact CB-CG 4.15Å; D149-Q152 WeakPolarHBondContact O-CB 3.24Å; D149-Q152 PolarHBondContact O-N 3.18Å; D149-Q152 PolarHBondContact OD1-NE2 3.38Å; D149-V153 PolarHBondContact O-N 3.1Å; D149-R328 IonicContact OD1-NH2 2.82Å; D149-R328 IonicContact OD2-CZ 3.24Å; D149-R328 IonicContact OD2-NH1 3.27Å; D149-R328 PolarHBondContact OD2-NH1 3.3Å; D149-R328 IonicContact OD2-NH2 3.22Å; D149-R328 PolarHBondContact OD2-NH2 3.33Å; D149-A340 HydrophobicContact CB-CB 4.29Å
150M94.9Very high92.3Very high1 Ų146.3 Ų46.31%0.00522%0.22CC..Hα-helixtrans-57-35.7176.2-170.261.1-167.700112.7L123 I127 H147 R148 Q152 V153 L154 L313 L342L123-M150 HydrophobicContact CD1-CB 4.44Å; L123-M150 HydrophobicContact CD1-CG 4.07Å; L123-M150 HydrophobicContact CD2-CB 4.2Å; L123-M150 HydrophobicContact CD2-CG 4.26Å; I127-M150 HydrophobicContact CD1-CE 4.32Å; I127-M150 HydrophobicContact CG1-CE 4.42Å; H147-M150 HydrophobicContact CB-CB 4.07Å; H147-M150 VanDerWaalsContact ND1-CB 3.34Å; H147-M150 WeakPolarHBondContact ND1-CB 3.48Å; R148-M150 PolarHBondContact O-N 3.42Å; M150-Q152 VanDerWaalsContact C-N 3.25Å; M150-Q152 PolarHBondContact O-N 3.05Å; M150-V153 WeakPolarHBondContact O-CB 3.14Å; M150-V153 PolarHBondContact O-N 3.04Å; M150-V153 VanDerWaalsContact O-N 3.13Å; M150-V153 HydrophobicContact SD-CB 4.28Å; M150-L154 HydrophobicContact CE-CD2 4.06Å; M150-L154 HydrophobicContact CE-CG 4.24Å; M150-L154 WeakPolarHBondContact O-CG 3.37Å; M150-L154 PolarHBondContact O-N 2.68Å; M150-L313 HydrophobicContact CE-CD2 4.2Å; M150-L313 HydrophobicContact SD-CD1 3.9Å; M150-L313 HydrophobicContact SD-CD2 4.08Å; M150-L342 HydrophobicContact CE-CD1 4.21Å; M150-L342 HydrophobicContact CG-CD2 4.3Å; M150-L342 HydrophobicContact SD-CD1 3.89Å; M150-L342 HydrophobicContact SD-CD2 4.18Å; M150-L342 HydrophobicContact SD-CG 4.08Å
151H94.3Very high91.9Very high70 Ų7049.1 Ų49.132%0.32424%0.235SC..Hα-helixtrans-59.1-35.7173-63.4-66.9000112.7R126 D149 V153 L154 D155R126-H151 PolarHBondContact NH1-ND1 3.16Å; D149-H151 PolarHBondContact O-N 2.89Å; H151-V153 VanDerWaalsContact C-N 3.33Å; H151-L154 PolarHBondContact O-N 3.29Å; H151-D155 WeakPolarHBondContact O-CB 3.2Å; H151-D155 PolarHBondContact O-N 3.43Å; H151-D155 VanDerWaalsContact O-OD1 3.12Å
152Q92.4Very high91.4Very high94 Ų9447.7 Ų47.744%0.43923%0.233SC..Hα-helixtrans-69.1-33.7177.6-59.9179.524.300111.7D149 M150 A156D149-Q152 HydrophobicContact CB-CB 4.36Å; D149-Q152 HydrophobicContact CB-CG 4.15Å; D149-Q152 WeakPolarHBondContact O-CB 3.24Å; D149-Q152 PolarHBondContact O-N 3.18Å; D149-Q152 PolarHBondContact OD1-NE2 3.38Å; M150-Q152 VanDerWaalsContact C-N 3.25Å; M150-Q152 PolarHBondContact O-N 3.05Å; Q152-A156 WeakPolarHBondContact O-CB 3.42Å; Q152-A156 PolarHBondContact O-N 3.46Å
153V93Very high91.4Very high0 Ų046 Ų460%022%0.216CC..Hα-helixtrans-65-46.5173.6-179.30000110.2D149 M150 H151 A156 Y157 F163 Q311 L313 A340D149-V153 PolarHBondContact O-N 3.1Å; M150-V153 WeakPolarHBondContact O-CB 3.14Å; M150-V153 PolarHBondContact O-N 3.04Å; M150-V153 VanDerWaalsContact O-N 3.13Å; M150-V153 HydrophobicContact SD-CB 4.28Å; H151-V153 VanDerWaalsContact C-N 3.33Å; V153-A156 WeakPolarHBondContact O-CB 3.34Å; V153-A156 PolarHBondContact O-N 3.41Å; V153-Y157 PolarHBondContact O-N 3.1Å; V153-F163 HydrophobicContact CG1-CD1 4.01Å; V153-F163 HydrophobicContact CG1-CD2 3.72Å; V153-F163 HydrophobicContact CG1-CE1 3.88Å; V153-F163 HydrophobicContact CG1-CE2 3.56Å; V153-F163 HydrophobicContact CG1-CG 3.93Å; V153-F163 HydrophobicContact CG1-CZ 3.65Å; V153-Q311 HydrophobicContact CG2-CG 3.97Å; V153-L313 HydrophobicContact CG1-CD2 4.34Å; V153-L313 HydrophobicContact CG2-CB 4.4Å; V153-L313 HydrophobicContact CG2-CD1 4.41Å; V153-A340 HydrophobicContact CG2-CB 3.32Å
154L92.4Very high91.6Very high0 Ų045.8 Ų45.80%021%0.214CC..Hα-helixtrans-64.3-42.8177.3-63.3175.2000111.5L123 R126 I127 V130 M150 H151 A156 Y157 E158 F194L123-L154 HydrophobicContact CD1-CD1 3.63Å; R126-L154 HydrophobicContact CB-CD1 4.42Å; R126-L154 HydrophobicContact CG-CD1 3.97Å; I127-L154 HydrophobicContact CG1-CD1 4.04Å; I127-L154 HydrophobicContact CG1-CD2 4.28Å; V130-L154 HydrophobicContact CB-CD2 4.33Å; V130-L154 HydrophobicContact CG1-CD2 4.17Å; V130-L154 HydrophobicContact CG2-CD2 4.43Å; M150-L154 HydrophobicContact CE-CD2 4.06Å; M150-L154 HydrophobicContact CE-CG 4.24Å; M150-L154 WeakPolarHBondContact O-CG 3.37Å; M150-L154 PolarHBondContact O-N 2.68Å; H151-L154 PolarHBondContact O-N 3.29Å; L154-A156 VanDerWaalsContact C-N 3.26Å; L154-A156 PolarHBondContact O-N 3.08Å; L154-Y157 PolarHBondContact O-N 3.41Å; L154-E158 WeakPolarHBondContact O-CB 3.38Å; L154-E158 VanDerWaalsContact O-CG 3.31Å; L154-E158 WeakPolarHBondContact O-CG 3.26Å; L154-E158 PolarHBondContact O-N 2.79Å; L154-F194 HydrophobicContact CD2-CE1 4.3Å; L154-F194 HydrophobicContact CD2-CZ 4.16Å
155D91.8Very high91.7Very high60 Ų6045.8 Ų45.832%0.32121%0.214SC..Hα-helixtrans-59.2-37.6174.6-69-6.3000111.9R126 H151 K159R126-D155 IonicContact CZ-OD1 3.63Å; R126-D155 IonicContact NH1-OD1 3.41Å; R126-D155 PolarHBondContact NH1-OD1 2.94Å; R126-D155 IonicContact NH2-OD1 2.79Å; R126-D155 PolarHBondContact NH2-OD1 3.14Å; H151-D155 WeakPolarHBondContact O-CB 3.2Å; H151-D155 PolarHBondContact O-N 3.43Å; H151-D155 VanDerWaalsContact O-OD1 3.12Å; D155-K159 WeakPolarHBondContact O-CB 3.42Å; D155-K159 WeakPolarHBondContact O-CD 3.14Å; D155-K159 VanDerWaalsContact O-CG 3.22Å; D155-K159 WeakPolarHBondContact O-CG 3.29Å; D155-K159 PolarHBondContact O-N 2.93Å
156A87.8Confident91.9Very high17 Ų1745.1 Ų45.114%0.1421%0.211CC..Hα-helixtrans-68.6-45.7177.300000110.7Q152 V153 L154 K159 H160 K161Q152-A156 WeakPolarHBondContact O-CB 3.42Å; Q152-A156 PolarHBondContact O-N 3.46Å; V153-A156 WeakPolarHBondContact O-CB 3.34Å; V153-A156 PolarHBondContact O-N 3.41Å; L154-A156 VanDerWaalsContact C-N 3.26Å; L154-A156 PolarHBondContact O-N 3.08Å; A156-K159 CarbonylContact O-C 3.52Å; A156-K159 PolarHBondContact O-N 3.16Å; A156-K159 VanDerWaalsContact O-N 3.17Å; A156-H160 PolarHBondContact O-N 3.11Å; A156-K161 HydrophobicContact CB-CB 4.23Å; A156-K161 WeakPolarHBondContact O-CB 3.49Å; A156-K161 PolarHBondContact O-N 3.2Å
157Y89.5Confident92.1Very high69 Ų6945.3 Ų45.327%0.27121%0.212SC..Hα-helixtrans-64.8-43.3179.5-171.2-98.9000112.6V130 V153 L154 K159 H160 F163 F194V130-Y157 HydrophobicContact CG1-CD1 3.3Å; V130-Y157 HydrophobicContact CG1-CE1 3.72Å; V130-Y157 HydrophobicContact CG1-CG 4.35Å; V153-Y157 PolarHBondContact O-N 3.1Å; L154-Y157 PolarHBondContact O-N 3.41Å; Y157-K159 PolarHBondContact O-N 3.04Å; Y157-H160 WeakPolarHBondContact O-CA 3.26Å; Y157-H160 PolarHBondContact O-N 3.37Å; Y157-F163 HydrophobicContact CD2-CD1 4.16Å; Y157-F163 AromaticContact CD2-CE1 3.55Å; Y157-F163 HydrophobicContact CD2-CE1 3.55Å; Y157-F163 HydrophobicContact CE2-CE1 4.38Å; Y157-F163 HydrophobicContact CG-CE1 4.06Å; Y157-F194 HydrophobicContact CD1-CD1 4.14Å; Y157-F194 HydrophobicContact CD1-CE1 4.25Å; Y157-F194 AromaticContact CD2-CD1 3.96Å; Y157-F194 HydrophobicContact CD2-CD1 3.96Å; Y157-F194 AromaticContact CE1-CD1 3.97Å; Y157-F194 HydrophobicContact CE1-CD1 3.97Å; Y157-F194 HydrophobicContact CE1-CE1 4.31Å; Y157-F194 HydrophobicContact CE2-CB 4.24Å; Y157-F194 AromaticContact CE2-CD1 3.78Å; Y157-F194 HydrophobicContact CE2-CD1 3.78Å; Y157-F194 WeakPolarHBondContact CE2-O 3.21Å; Y157-F194 HydrophobicContact CG-CD1 4.1Å; Y157-F194 HydrophobicContact CG-CE1 4.4Å; Y157-F194 AromaticContact CZ-CD1 3.77Å
158E89.3Confident92.1Very high93 Ų9346.8 Ų46.844%0.43523%0.229SC..Hα-helixtrans-61.2-26.9174.8-73.2169.9163.500112.5R126 V130 L154 H160R126-E158 IonicContact CZ-OE1 2.82Å; R126-E158 IonicContact CZ-OE2 2.84Å; R126-E158 IonicContact NE-OE1 2.68Å; R126-E158 IonicContact NH2-OE1 3.32Å; R126-E158 PolarHBondContact NH2-OE1 3.01Å; R126-E158 IonicContact NH2-OE2 3.23Å; R126-E158 PolarHBondContact NH2-OE2 2.82Å; V130-E158 HydrophobicContact CG2-CG 3.97Å; V130-E158 VanDerWaalsContact CG2-OE1 3.28Å; V130-E158 WeakPolarHBondContact CG2-OE1 3.47Å; L154-E158 WeakPolarHBondContact O-CB 3.38Å; L154-E158 VanDerWaalsContact O-CG 3.31Å; L154-E158 WeakPolarHBondContact O-CG 3.26Å; L154-E158 PolarHBondContact O-N 2.79Å; E158-H160 VanDerWaalsContact C-N 3.27Å
159K88.3Confident92.1Very high139 Ų13947.1 Ų47.160%0.60423%0.23SC*.THydrogen-bonded Turntrans-89.212.5174.6-68.5170.6-170.4165.20113.1D155 A156 Y157 K161D155-K159 WeakPolarHBondContact O-CB 3.42Å; D155-K159 WeakPolarHBondContact O-CD 3.14Å; D155-K159 VanDerWaalsContact O-CG 3.22Å; D155-K159 WeakPolarHBondContact O-CG 3.29Å; D155-K159 PolarHBondContact O-N 2.93Å; A156-K159 CarbonylContact O-C 3.52Å; A156-K159 PolarHBondContact O-N 3.16Å; A156-K159 VanDerWaalsContact O-N 3.17Å; Y157-K159 PolarHBondContact O-N 3.04Å; K159-K161 HydrophobicContact CB-CG 4.42Å; K159-K161 PolarHBondContact O-N 3.34Å
160H82.8Confident92Very high174 Ų17445.8 Ų45.881%0.80623%0.226SC*.THydrogen-bonded Turntrans55.830.2-175.8-52.9-64.8000113.7A156 Y157 E158A156-H160 PolarHBondContact O-N 3.11Å; Y157-H160 WeakPolarHBondContact O-CA 3.26Å; Y157-H160 PolarHBondContact O-N 3.37Å; E158-H160 VanDerWaalsContact C-N 3.27Å
161K84.1Confident91.6Very high137 Ų13745.7 Ų45.760%0.59623%0.226SC*.  trans-91132.3170.4-64.2-173.7175.6-172.40109.3A156 K159A156-K161 HydrophobicContact CB-CB 4.23Å; A156-K161 WeakPolarHBondContact O-CB 3.49Å; A156-K161 PolarHBondContact O-N 3.2Å; K159-K161 HydrophobicContact CB-CG 4.42Å; K159-K161 PolarHBondContact O-N 3.34Å
162S81.7Confident90.8Very high22 Ų2243.5 Ų43.515%0.15422%0.218CC..  trans-71.2146.8177.1-1650000112.2N476 L477S162-N476 PolarHBondContact OG-O 3.41Å; S162-L477 WeakPolarHBondContact CB-OXT 3.5Å
163F93.8Very high90.3Very high0 Ų040.3 Ų40.30%021%0.206CC..EExtended strand (participates in β ladder)trans-137.3164.5171.672.7-88.9000108.7V153 Y157 F194 I196 Q311 L313V153-F163 HydrophobicContact CG1-CD1 4.01Å; V153-F163 HydrophobicContact CG1-CD2 3.72Å; V153-F163 HydrophobicContact CG1-CE1 3.88Å; V153-F163 HydrophobicContact CG1-CE2 3.56Å; V153-F163 HydrophobicContact CG1-CG 3.93Å; V153-F163 HydrophobicContact CG1-CZ 3.65Å; Y157-F163 HydrophobicContact CD2-CD1 4.16Å; Y157-F163 AromaticContact CD2-CE1 3.55Å; Y157-F163 HydrophobicContact CD2-CE1 3.55Å; Y157-F163 HydrophobicContact CE2-CE1 4.38Å; Y157-F163 HydrophobicContact CG-CE1 4.06Å; F163-F194 HydrophobicContact CE1-CB 4.39Å; F163-F194 HydrophobicContact CE1-CD1 4.14Å; F163-F194 HydrophobicContact CE1-CG 4.3Å; F163-F194 HydrophobicContact CZ-CB 3.94Å; F163-F194 AromaticContact CZ-CD1 3.92Å; F163-F194 HydrophobicContact CZ-CD1 3.92Å; F163-F194 HydrophobicContact CZ-CD2 4.1Å; F163-F194 HydrophobicContact CZ-CE1 4.47Å; F163-F194 AromaticContact CZ-CG 3.72Å; F163-F194 HydrophobicContact CZ-CG 3.72Å; F163-I196 HydrophobicContact CD1-CG2 4.32Å; F163-I196 HydrophobicContact CD2-CD1 3.74Å; F163-I196 HydrophobicContact CE1-CD1 4.3Å; F163-I196 HydrophobicContact CE1-CG2 4.17Å; F163-I196 HydrophobicContact CE2-CD1 3.1Å; F163-I196 HydrophobicContact CZ-CD1 3.45Å; F163-I196 VanDerWaalsContact CZ-CD1 3.45Å; F163-I196 HydrophobicContact CZ-CG2 4.3Å; F163-I196 WeakPolarHBondContact O-CB 3.11Å; F163-I196 WeakPolarHBondContact O-CG2 3.48Å; F163-Q311 CarbonylContact C-O 3.49Å; F163-Q311 VanDerWaalsContact CA-O 3.28Å; F163-Q311 WeakPolarHBondContact CA-O 3.11Å; F163-Q311 HydrophobicContact CB-CB 3.86Å; F163-Q311 HydrophobicContact CB-CG 4.43Å; F163-Q311 VanDerWaalsContact CB-O 3.3Å; F163-Q311 WeakPolarHBondContact CB-O 3.43Å; F163-L313 HydrophobicContact CD2-CB 4.2Å; F163-L313 HydrophobicContact CE2-CB 4.25Å; F163-L313 HydrophobicContact CE2-CD2 4.03Å
164Y96.6Very high89.6Confident0 Ų045.2 Ų45.20%023%0.229CC..EExtended strand (participates in β ladder)trans-129.2155.9179.777.4-78.3000112.1P197 V199 P294 S295 F296 S297 F304 I310 Q311 C312 L313Y164-P197 WeakPolarHBondContact CA-O 3.47Å; Y164-P197 WeakPolarHBondContact CB-O 3.42Å; Y164-V199 HydrophobicContact CD2-CG2 4.01Å; Y164-V199 HydrophobicContact CE2-CG2 3.78Å; Y164-P294 PolarHBondContact OH-O 3.17Å; Y164-S295 PolarHBondContact OH-O 2.96Å; Y164-S295 VanDerWaalsContact OH-O 3.14Å; Y164-F296 VanDerWaalsContact OH-C 3.32Å; Y164-F296 PolarHBondContact OH-N 3.06Å; Y164-F296 VanDerWaalsContact OH-N 3.14Å; Y164-S297 PolarHBondContact OH-N 3.48Å; Y164-F304 HydrophobicContact CD1-CE1 4.47Å; Y164-F304 HydrophobicContact CD1-CE2 4.35Å; Y164-F304 AromaticContact CD1-CZ 3.99Å; Y164-F304 HydrophobicContact CD1-CZ 3.99Å; Y164-F304 HydrophobicContact CD2-CE2 4.09Å; Y164-F304 AromaticContact CD2-CZ 3.88Å; Y164-F304 HydrophobicContact CD2-CZ 3.88Å; Y164-F304 HydrophobicContact CE2-CE2 4.36Å; Y164-F304 HydrophobicContact CG-CE1 4.28Å; Y164-F304 HydrophobicContact CG-CE2 4.08Å; Y164-F304 AromaticContact CG-CZ 3.54Å; Y164-F304 HydrophobicContact CG-CZ 3.54Å; Y164-I310 HydrophobicContact CD1-CB 4.48Å; Y164-I310 HydrophobicContact CD1-CG2 3.81Å; Y164-I310 HydrophobicContact CE1-CG2 4.5Å; Y164-Q311 VanDerWaalsContact CD1-O 3.32Å; Y164-Q311 WeakPolarHBondContact CD1-O 3.34Å; Y164-Q311 PolarHBondContact N-O 3.07Å; Y164-C312 HydrophobicContact CD1-CB 4.26Å; Y164-C312 HydrophobicContact CE1-CB 3.56Å; Y164-C312 HydrophobicContact CE2-CB 4.35Å; Y164-L313 PolarHBondContact O-N 2.88Å
165L98.1Very high88.9Confident0 Ų046 Ų460%024%0.235CC..EExtended strand (participates in β ladder)trans-92.5142.4174.5-64.3170.6000110.4T187 L190 Q191 I196 P197 L198 V199 L313 P315L165-T187 HydrophobicContact CB-CG2 4.49Å; L165-T187 HydrophobicContact CD1-CG2 4.1Å; L165-L190 HydrophobicContact CD1-CB 3.75Å; L165-L190 HydrophobicContact CD2-CB 4.2Å; L165-L190 HydrophobicContact CD2-CD1 4.09Å; L165-Q191 HydrophobicContact CD1-CB 4.11Å; L165-I196 HydrophobicContact CD1-CD1 3.79Å; L165-I196 HydrophobicContact CD1-CG1 4Å; L165-I196 HydrophobicContact CD2-CD1 3.92Å; L165-I196 HydrophobicContact CG-CD1 3.48Å; L165-I196 VanDerWaalsContact CG-CD1 3.48Å; L165-I196 HydrophobicContact CG-CG1 4.04Å; L165-P197 PolarHBondContact N-O 3.49Å; L165-L198 HydrophobicContact CB-CB 4.25Å; L165-L198 HydrophobicContact CB-CD1 3.47Å; L165-L198 VanDerWaalsContact CB-CD1 3.47Å; L165-L198 HydrophobicContact CB-CG 4.43Å; L165-L198 WeakPolarHBondContact O-CA 3.31Å; L165-V199 PolarHBondContact O-N 2.81Å; L165-L313 WeakPolarHBondContact CA-O 3.4Å; L165-L313 HydrophobicContact CD2-CB 4.04Å; L165-L313 HydrophobicContact CD2-CD2 3.81Å; L165-L313 HydrophobicContact CD2-CG 3.96Å; L165-P315 HydrophobicContact CD2-CG 4.18Å
166Y98.5Very high88.9Confident2 Ų243.1 Ų43.11%0.00822%0.22CC..EExtended strand (participates in β ladder)trans-132.4129.6167.4163.1-134.1000109.7V199 Q201 Q291 P294 L313 I314 P315 F324Y166-V199 WeakPolarHBondContact CA-O 3.49Å; Y166-V199 HydrophobicContact CD2-CG2 3.95Å; Y166-V199 HydrophobicContact CG-CG2 4.16Å; Y166-Q201 HydrophobicContact CE2-CB 3.76Å; Y166-Q201 PolarHBondContact OH-OE1 3.47Å; Y166-Q291 PolarHBondContact OH-O 2.81Å; Y166-Q291 VanDerWaalsContact OH-O 3.06Å; Y166-P294 HydrophobicContact CD1-CB 3.9Å; Y166-P294 HydrophobicContact CD2-CB 3.74Å; Y166-P294 HydrophobicContact CE1-CB 3.68Å; Y166-P294 HydrophobicContact CE1-CG 4.28Å; Y166-P294 HydrophobicContact CE2-CB 3.51Å; Y166-P294 HydrophobicContact CE2-CG 3.95Å; Y166-P294 HydrophobicContact CG-CB 3.97Å; Y166-L313 PolarHBondContact N-O 3.47Å; Y166-I314 HydrophobicContact CD1-CD1 3.63Å; Y166-I314 HydrophobicContact CD1-CG1 3.79Å; Y166-I314 HydrophobicContact CD1-CG2 4.43Å; Y166-I314 HydrophobicContact CE1-CD1 4.05Å; Y166-I314 HydrophobicContact CG-CG1 4.47Å; Y166-I314 VanDerWaalsContact O-CA 3.29Å; Y166-I314 WeakPolarHBondContact O-CA 3.28Å; Y166-I314 WeakPolarHBondContact O-CG2 3.34Å; Y166-P315 VanDerWaalsContact O-CD 3.29Å; Y166-P315 WeakPolarHBondContact O-CD 3.43Å; Y166-F324 HydrophobicContact CD1-CE1 4.5Å; Y166-F324 AromaticContact CE1-CE1 3.65Å; Y166-F324 HydrophobicContact CE1-CE1 3.65Å; Y166-F324 AromaticContact CE1-CZ 3.85Å; Y166-F324 HydrophobicContact CE1-CZ 3.85Å
167T98.3Very high89.1Confident5 Ų542.5 Ų42.53%0.03121%0.214CC..EExtended strand (participates in β ladder)trans-138.4169.4166.3-174.70000109.4F184 T187 L198 V199 I200 Q201 P315T167-F184 HydrophobicContact CG2-CD1 4.2Å; T167-F184 HydrophobicContact CG2-CE1 3.79Å; T167-T187 HydrophobicContact CG2-CG2 4.08Å; T167-L198 HydrophobicContact CG2-CD1 4.33Å; T167-V199 PolarHBondContact N-O 3.08Å; T167-I200 HydrophobicContact CG2-CG1 4.08Å; T167-I200 HydrophobicContact CG2-CG2 4.39Å; T167-I200 VanDerWaalsContact O-CA 3.29Å; T167-I200 WeakPolarHBondContact O-CA 3.42Å; T167-Q201 PolarHBondContact O-N 2.92Å; T167-P315 PolarHBondContact OG1-O 2.91Å
168G96.6Very high89.2Confident37 Ų3739.2 Ų39.238%0.38120%0.201SC..EExtended strand (participates in β ladder)trans-139.7165.6-179.700000113.6Q201G168-Q201 CarbonylContact C-O 3.5Å; G168-Q201 WeakPolarHBondContact CA-O 3.36Å
169R95.6Very high89.3Confident30 Ų3035.4 Ų35.411%0.11319%0.186CC..EExtended strand (participates in β ladder)trans-145.5125.5172.4167.162.9-176.1159.11.9109.6P171 S172 H180 F184 Q201 L202 T203 N225 I229R169-P171 VanDerWaalsContact O-CD 3.28Å; R169-P171 WeakPolarHBondContact O-CD 3.4Å; R169-S172 PolarHBondContact NH2-OG 2.99Å; R169-H180 PolarHBondContact NH1-CD2 3.3Å; R169-H180 VanDerWaalsContact NH1-CD2 3.31Å; R169-H180 PolarHBondContact NH1-CE1 3.38Å; R169-H180 VanDerWaalsContact NH1-CE1 3.3Å; R169-H180 PolarHBondContact NH1-NE2 3.08Å; R169-H180 PolarHBondContact NH2-CE1 2.84Å; R169-F184 HydrophobicContact CB-CE2 4.35Å; R169-F184 HydrophobicContact CB-CZ 3.92Å; R169-Q201 PolarHBondContact N-O 2.84Å; R169-L202 HydrophobicContact CB-CD2 3.98Å; R169-L202 HydrophobicContact CG-CD2 4.29Å; R169-L202 WeakPolarHBondContact O-CA 3.38Å; R169-T203 PolarHBondContact O-N 3.24Å; R169-T203 VanDerWaalsContact O-N 3.16Å; R169-N225 PolarHBondContact NE-OD1 2.91Å; R169-I229 HydrophobicContact CB-CD1 4.24Å; R169-I229 HydrophobicContact CG-CD1 4.48Å
170G92.9Very high89.4Confident11 Ų1130.3 Ų30.311%0.11317%0.165CC..  trans-84.8108.1166.800000112.2S172 T203 K207G170-S172 PolarHBondContact O-N 3.5Å; G170-T203 WeakPolarHBondContact CA-OG1 3.35Å; G170-K207 VanDerWaalsContact O-CE 3.32Å; G170-K207 WeakPolarHBondContact O-CE 3.29Å
171P85.6Confident89.8Confident0 Ų022.3 Ų22.30%013%0.128CC..  trans-76.191.5-171.531.9-35.2000111.7R169 D204 K207 F221 A222 N225R169-P171 VanDerWaalsContact O-CD 3.28Å; R169-P171 WeakPolarHBondContact O-CD 3.4Å; P171-D204 HydrophobicContact CG-CB 4.17Å; P171-K207 HydrophobicContact CG-CG 4.48Å; P171-F221 HydrophobicContact CB-CB 3.87Å; P171-A222 HydrophobicContact CG-CB 4.1Å; P171-N225 HydrophobicContact CB-CB 4.29Å
172S76.9Confident90.3Very high23 Ų2315.9 Ų15.916%0.16110%0.1CC..  trans-90.8-12.4-17361.80000115.8R169 G170 K211R169-S172 PolarHBondContact NH2-OG 2.99Å; G170-S172 PolarHBondContact O-N 3.5Å; S172-K211 PolarHBondContact O-NZ 3.46Å
173S82.2Confident90.9Very high28 Ų2815.8 Ų15.820%0.19610%0.099CC..SBendtrans-164.5163.9-171.652.10000109.5A175 N225S173-A175 VanDerWaalsContact C-N 3.33Å; S173-A175 PolarHBondContact O-N 2.85Å; S173-A175 PolarHBondContact OG-O 3.31Å; S173-A175 VanDerWaalsContact OG-O 3.06Å; S173-N225 PolarHBondContact O-ND2 3.02Å
174E78.8Confident91.1Very high103 Ų10316 Ų1648%0.48110%0.1SC..SBendtrans-64-35.3179.9-62.9-176.9171.200113.6R220 F221E174-R220 IonicContact OE1-CZ 2.72Å; E174-R220 VanDerWaalsContact OE1-CZ 3.23Å; E174-R220 IonicContact OE1-NH1 2.69Å; E174-R220 PolarHBondContact OE1-NH1 3.25Å; E174-R220 IonicContact OE1-NH2 3.16Å; E174-R220 PolarHBondContact OE1-NH2 2.84Å; E174-F221 HydrophobicContact CG-CD1 3.76Å; E174-F221 HydrophobicContact CG-CE1 3.48Å; E174-F221 VanDerWaalsContact CG-CE1 3.48Å
175A78.4Confident91Very high15 Ų1517.8 Ų17.812%0.12411%0.109CC..SBendtrans-113.9138-176.700000111.7S173 T369S173-A175 VanDerWaalsContact C-N 3.33Å; S173-A175 PolarHBondContact O-N 2.85Å; S173-A175 PolarHBondContact OG-O 3.31Å; S173-A175 VanDerWaalsContact OG-O 3.06Å; A175-T369 HydrophobicContact CB-CG2 3.75Å
176M91.3Very high91Very high0 Ų017.9 Ų17.90%011%0.109CC..  trans-76.8162.1165.7-69.1171.162.800111.4H180 F184 D228 I229 L368M176-H180 HydrophobicContact CB-CB 4.29Å; M176-H180 HydrophobicContact CE-CB 3.42Å; M176-H180 VanDerWaalsContact CE-CB 3.42Å; M176-H180 HydrophobicContact CG-CB 4.49Å; M176-F184 HydrophobicContact CE-CD2 3.64Å; M176-F184 HydrophobicContact CE-CE2 3.53Å; M176-D228 HydrophobicContact CB-CB 4.49Å; M176-D228 HydrophobicContact CG-CB 4.19Å; M176-D228 PolarHBondContact N-OD2 2.89Å; M176-D228 HydrophobicContact SD-CB 3.41Å; M176-D228 WeakPolarHBondContact SD-CB 3.49Å; M176-I229 HydrophobicContact CE-CG1 4.41Å; M176-I229 HydrophobicContact SD-CG1 4.16Å; M176-L368 HydrophobicContact CB-CD1 3.7Å; M176-L368 HydrophobicContact CB-CG 4.28Å; M176-L368 WeakPolarHBondContact O-CG 3.45Å; M176-L368 PolarHBondContact O-N 2.82Å
177H91.6Very high91Very high5 Ų517.8 Ų17.82%0.02311%0.109CC..BIsolated β-bridgetrans-113.5166.4169.556.162.5000111.1G179 H180 M357 A359 I366 F367H177-G179 PolarHBondContact ND1-N 3.3Å; H177-G179 PolarHBondContact O-N 3.23Å; H177-G179 VanDerWaalsContact O-N 3.11Å; H177-H180 AromaticContact CD2-CE1 3.33Å; H177-H180 PolarHBondContact CD2-CE1 3.37Å; H177-H180 AromaticContact CD2-ND1 3.87Å; H177-H180 AromaticContact CD2-NE2 3.88Å; H177-H180 AromaticContact CE1-CD2 3.43Å; H177-H180 PolarHBondContact CE1-CD2 3.38Å; H177-H180 VanDerWaalsContact CE1-CD2 3.43Å; H177-H180 AromaticContact CE1-CE1 3.34Å; H177-H180 PolarHBondContact CE1-CE1 3.47Å; H177-H180 AromaticContact CE1-CG 3.73Å; H177-H180 AromaticContact CE1-ND1 3.71Å; H177-H180 AromaticContact CE1-NE2 3.19Å; H177-H180 PolarHBondContact CE1-NE2 3.39Å; H177-H180 AromaticContact CG-CE1 3.67Å; H177-H180 AromaticContact CG-ND1 3.74Å; H177-H180 PolarHBondContact N-ND1 2.92Å; H177-H180 AromaticContact ND1-CD2 3.93Å; H177-H180 AromaticContact ND1-CE1 3.67Å; H177-H180 AromaticContact ND1-CG 3.76Å; H177-H180 PolarHBondContact ND1-N 2.99Å; H177-H180 AromaticContact ND1-ND1 3.64Å; H177-H180 AromaticContact ND1-NE2 3.9Å; H177-H180 AromaticContact NE2-CD2 3.88Å; H177-H180 AromaticContact NE2-CE1 3.1Å; H177-H180 PolarHBondContact NE2-CE1 3.48Å; H177-H180 AromaticContact NE2-ND1 3.85Å; H177-H180 AromaticContact NE2-NE2 3.14Å; H177-H180 PolarHBondContact NE2-NE2 2.99Å; H177-H180 VanDerWaalsContact NE2-NE2 3.14Å; H177-H180 WeakPolarHBondContact O-CB 3.46Å; H177-H180 PolarHBondContact O-N 2.77Å; H177-M357 HydrophobicContact CB-CG 4.5Å; H177-M357 HydrophobicContact CB-SD 3.77Å; H177-M357 PolarHBondContact NE2-O 2.93Å; H177-A359 PolarHBondContact NE2-N 2.92Å; H177-I366 CarbonylContact C-O 3.58Å; H177-I366 VanDerWaalsContact CA-O 3.23Å; H177-I366 WeakPolarHBondContact CA-O 3.39Å; H177-I366 WeakPolarHBondContact CB-O 3.49Å; H177-F367 HydrophobicContact CB-CD1 4.12Å
178V92.1Very high90.9Very high0 Ų019.9 Ų19.90%012%0.118CC..Hα-helixtrans-55.1-32.6-176.2-65.30000113.6H180 L181 F347 M357 I366 L368 F413 I449V178-H180 VanDerWaalsContact C-N 3.26Å; V178-H180 PolarHBondContact O-N 3.11Å; V178-L181 WeakPolarHBondContact O-CB 3.39Å; V178-L181 PolarHBondContact O-N 2.9Å; V178-F347 HydrophobicContact CG2-CD1 4.24Å; V178-F347 HydrophobicContact CG2-CE1 3.49Å; V178-F347 VanDerWaalsContact CG2-CE1 3.49Å; V178-F347 HydrophobicContact CG2-CZ 3.94Å; V178-M357 HydrophobicContact CG2-CE 3.91Å; V178-M357 HydrophobicContact CG2-SD 3.77Å; V178-I366 HydrophobicContact CG1-CB 4.26Å; V178-I366 HydrophobicContact CG1-CG2 4.14Å; V178-I366 HydrophobicContact CG2-CB 4.03Å; V178-I366 PolarHBondContact N-O 3.02Å; V178-L368 HydrophobicContact CG1-CD2 4.09Å; V178-F413 HydrophobicContact CB-CE2 4.29Å; V178-F413 HydrophobicContact CB-CZ 4.01Å; V178-I449 HydrophobicContact CG1-CD1 3.9Å; V178-I449 HydrophobicContact CG1-CG1 4.28Å
179G90.6Very high90.9Very high12 Ų1219.5 Ų19.512%0.12411%0.105CC..Hα-helixtrans-61.2-31.1174.900000114H177 L181 I182H177-G179 PolarHBondContact ND1-N 3.3Å; H177-G179 PolarHBondContact O-N 3.23Å; H177-G179 VanDerWaalsContact O-N 3.11Å; G179-L181 PolarHBondContact O-N 2.91Å; G179-I182 PolarHBondContact O-N 3.48Å
180H91.5Very high90.9Very high33 Ų3318.2 Ų18.215%0.15310%0.1CC..Hα-helixtrans-72.2-20.2175.7-57.4139000112.5R169 M176 H177 V178 I182 P183 F184R169-H180 PolarHBondContact NH1-CD2 3.3Å; R169-H180 VanDerWaalsContact NH1-CD2 3.31Å; R169-H180 PolarHBondContact NH1-CE1 3.38Å; R169-H180 VanDerWaalsContact NH1-CE1 3.3Å; R169-H180 PolarHBondContact NH1-NE2 3.08Å; R169-H180 PolarHBondContact NH2-CE1 2.84Å; M176-H180 HydrophobicContact CB-CB 4.29Å; M176-H180 HydrophobicContact CE-CB 3.42Å; M176-H180 VanDerWaalsContact CE-CB 3.42Å; M176-H180 HydrophobicContact CG-CB 4.49Å; H177-H180 AromaticContact CD2-CE1 3.33Å; H177-H180 PolarHBondContact CD2-CE1 3.37Å; H177-H180 AromaticContact CD2-ND1 3.87Å; H177-H180 AromaticContact CD2-NE2 3.88Å; H177-H180 AromaticContact CE1-CD2 3.43Å; H177-H180 PolarHBondContact CE1-CD2 3.38Å; H177-H180 VanDerWaalsContact CE1-CD2 3.43Å; H177-H180 AromaticContact CE1-CE1 3.34Å; H177-H180 PolarHBondContact CE1-CE1 3.47Å; H177-H180 AromaticContact CE1-CG 3.73Å; H177-H180 AromaticContact CE1-ND1 3.71Å; H177-H180 AromaticContact CE1-NE2 3.19Å; H177-H180 PolarHBondContact CE1-NE2 3.39Å; H177-H180 AromaticContact CG-CE1 3.67Å; H177-H180 AromaticContact CG-ND1 3.74Å; H177-H180 PolarHBondContact N-ND1 2.92Å; H177-H180 AromaticContact ND1-CD2 3.93Å; H177-H180 AromaticContact ND1-CE1 3.67Å; H177-H180 AromaticContact ND1-CG 3.76Å; H177-H180 PolarHBondContact ND1-N 2.99Å; H177-H180 AromaticContact ND1-ND1 3.64Å; H177-H180 AromaticContact ND1-NE2 3.9Å; H177-H180 AromaticContact NE2-CD2 3.88Å; H177-H180 AromaticContact NE2-CE1 3.1Å; H177-H180 PolarHBondContact NE2-CE1 3.48Å; H177-H180 AromaticContact NE2-ND1 3.85Å; H177-H180 AromaticContact NE2-NE2 3.14Å; H177-H180 PolarHBondContact NE2-NE2 2.99Å; H177-H180 VanDerWaalsContact NE2-NE2 3.14Å; H177-H180 WeakPolarHBondContact O-CB 3.46Å; H177-H180 PolarHBondContact O-N 2.77Å; V178-H180 VanDerWaalsContact C-N 3.26Å; V178-H180 PolarHBondContact O-N 3.11Å; H180-I182 PolarHBondContact O-N 2.84Å; H180-P183 WeakPolarHBondContact O-CD 3.34Å; H180-F184 WeakPolarHBondContact O-CD2 3.46Å
181L91.5Very high91.1Very high5 Ų517.8 Ų17.83%0.02610%0.095CC..Hα-helixtrans-71.2-21.1178.2-64.6-176.7000112.3V178 G179 F184 I185 L368 M448V178-L181 WeakPolarHBondContact O-CB 3.39Å; V178-L181 PolarHBondContact O-N 2.9Å; G179-L181 PolarHBondContact O-N 2.91Å; L181-F184 PolarHBondContact O-N 3.41Å; L181-I185 HydrophobicContact CB-CD1 3.79Å; L181-I185 HydrophobicContact CB-CG1 4.21Å; L181-I185 VanDerWaalsContact O-CB 3.31Å; L181-I185 WeakPolarHBondContact O-CB 3.32Å; L181-I185 WeakPolarHBondContact O-CG1 3.22Å; L181-I185 PolarHBondContact O-N 3.34Å; L181-L368 HydrophobicContact CD1-CD1 4.37Å; L181-L368 HydrophobicContact CD1-CD2 3.55Å; L181-L368 HydrophobicContact CD2-CD1 3.71Å; L181-L368 HydrophobicContact CD2-CD2 4.41Å; L181-L368 HydrophobicContact CG-CD1 4.09Å; L181-L368 HydrophobicContact CG-CD2 3.96Å; L181-M448 HydrophobicContact CD1-SD 4.12Å
182I93.8Very high91.5Very high2 Ų221.7 Ų21.71%0.0112%0.116CC..Hα-helixtrans-60-52.6-174-54.1-53000111.8F138 V143 F144 G179 H180 F186 F347 F412 F413F138-I182 HydrophobicContact CD2-CG2 4.46Å; F138-I182 HydrophobicContact CE1-CD1 4.38Å; F138-I182 HydrophobicContact CE2-CG2 4Å; F138-I182 HydrophobicContact CZ-CD1 3.85Å; F138-I182 HydrophobicContact CZ-CG2 4.09Å; V143-I182 HydrophobicContact CG1-CG2 3.97Å; F144-I182 HydrophobicContact CE2-CG2 4.44Å; G179-I182 PolarHBondContact O-N 3.48Å; H180-I182 PolarHBondContact O-N 2.84Å; I182-F186 PolarHBondContact O-N 3.31Å; I182-F347 HydrophobicContact CD1-CD2 4.12Å; I182-F347 HydrophobicContact CD1-CE2 4.48Å; I182-F347 HydrophobicContact CG1-CB 4.39Å; I182-F347 HydrophobicContact CG1-CD2 4Å; I182-F347 HydrophobicContact CG1-CG 4.46Å; I182-F412 HydrophobicContact CD1-CB 4.02Å; I182-F412 HydrophobicContact CD1-CD1 3.63Å; I182-F412 HydrophobicContact CD1-CE1 4.48Å; I182-F412 HydrophobicContact CD1-CG 4.13Å; I182-F412 HydrophobicContact CG1-CD1 4.02Å; I182-F412 HydrophobicContact CG1-CE1 4.4Å; I182-F412 HydrophobicContact CG2-CD1 4.24Å; I182-F412 HydrophobicContact CG2-CE1 4.37Å; I182-F413 HydrophobicContact CD1-CE1 3.7Å; I182-F413 HydrophobicContact CD1-CZ 3.72Å
183P94.7Very high92.2Very high21 Ų2121.1 Ų21.114%0.13611%0.112CC..Hα-helixtrans-63.5-42.1174.8-21.935.3000112.3H180 F186 T187H180-P183 WeakPolarHBondContact O-CD 3.34Å; P183-F186 PolarHBondContact O-N 3.03Å; P183-T187 WeakPolarHBondContact O-CB 3.38Å; P183-T187 PolarHBondContact O-N 3.42Å; P183-T187 PolarHBondContact O-OG1 3.5Å
184F96.9Very high92.6Very high5 Ų520 Ų202%0.02210%0.103CC..Hα-helixtrans-68.9-40.6-175.9-71.2-63.8000113.9T167 R169 M176 H180 L181 F186 T187 K188 I200 I229 F234T167-F184 HydrophobicContact CG2-CD1 4.2Å; T167-F184 HydrophobicContact CG2-CE1 3.79Å; R169-F184 HydrophobicContact CB-CE2 4.35Å; R169-F184 HydrophobicContact CB-CZ 3.92Å; M176-F184 HydrophobicContact CE-CD2 3.64Å; M176-F184 HydrophobicContact CE-CE2 3.53Å; H180-F184 WeakPolarHBondContact O-CD2 3.46Å; L181-F184 PolarHBondContact O-N 3.41Å; F184-F186 VanDerWaalsContact C-N 3.26Å; F184-F186 PolarHBondContact O-N 3.31Å; F184-T187 PolarHBondContact O-N 2.75Å; F184-K188 VanDerWaalsContact O-CB 3.31Å; F184-K188 WeakPolarHBondContact O-CB 3.07Å; F184-K188 PolarHBondContact O-N 2.82Å; F184-I200 HydrophobicContact CE1-CD1 4.22Å; F184-I200 HydrophobicContact CE1-CG2 4.01Å; F184-I200 HydrophobicContact CZ-CG2 4.48Å; F184-I229 HydrophobicContact CD1-CG1 4.43Å; F184-I229 HydrophobicContact CD1-CG2 4.19Å; F184-I229 HydrophobicContact CD2-CG1 4.41Å; F184-I229 HydrophobicContact CE1-CD1 4.05Å; F184-I229 HydrophobicContact CE1-CG1 3.95Å; F184-I229 HydrophobicContact CE1-CG2 4.03Å; F184-I229 HydrophobicContact CE2-CD1 4.27Å; F184-I229 HydrophobicContact CE2-CG1 3.96Å; F184-I229 HydrophobicContact CZ-CD1 3.66Å; F184-I229 HydrophobicContact CZ-CG1 3.71Å; F184-F234 HydrophobicContact CB-CE2 4.3Å; F184-F234 HydrophobicContact CB-CZ 4.16Å; F184-F234 AromaticContact CD1-CE2 3.98Å; F184-F234 HydrophobicContact CD1-CE2 3.98Å; F184-F234 AromaticContact CD1-CZ 3.9Å; F184-F234 HydrophobicContact CD1-CZ 3.9Å; F184-F234 WeakPolarHBondContact O-CZ 3.33Å
185I96.1Very high93.3Very high37 Ų3719 Ų1919%0.1910%0.101CC..Hα-helixtrans-58.9-44174.1-71.9168.8000109.5F138 L181 K188 W189 F413F138-I185 HydrophobicContact CE2-CB 4.19Å; F138-I185 HydrophobicContact CE2-CG2 3.94Å; F138-I185 HydrophobicContact CZ-CG2 4.35Å; L181-I185 HydrophobicContact CB-CD1 3.79Å; L181-I185 HydrophobicContact CB-CG1 4.21Å; L181-I185 VanDerWaalsContact O-CB 3.31Å; L181-I185 WeakPolarHBondContact O-CB 3.32Å; L181-I185 WeakPolarHBondContact O-CG1 3.22Å; L181-I185 PolarHBondContact O-N 3.34Å; I185-K188 PolarHBondContact O-N 3.08Å; I185-W189 PolarHBondContact O-N 2.68Å; I185-F413 HydrophobicContact CD1-CE1 4.39Å
186F97.2Very high93.9Very high1 Ų118.5 Ų18.50%0.00410%0.097CC..Hα-helixtrans-69-43.8179.7-168.2-119.5000112.5H136 F138 L139 F144 I182 P183 F184 K188 W189 L190 P315 L342H136-F186 HydrophobicContact CB-CD2 4.14Å; H136-F186 HydrophobicContact CB-CE2 3.96Å; H136-F186 AromaticContact ND1-CD2 3.9Å; F138-F186 HydrophobicContact CB-CD2 4.34Å; F138-F186 HydrophobicContact CD2-CB 3.94Å; F138-F186 HydrophobicContact CD2-CD2 4.08Å; F138-F186 HydrophobicContact CD2-CG 4.31Å; F138-F186 HydrophobicContact CE2-CB 4.33Å; L139-F186 HydrophobicContact CD1-CE2 4.1Å; L139-F186 HydrophobicContact CD1-CZ 4.11Å; L139-F186 HydrophobicContact CD2-CE2 4.43Å; L139-F186 HydrophobicContact CD2-CZ 3.98Å; L139-F186 HydrophobicContact CG-CE2 3.9Å; L139-F186 HydrophobicContact CG-CZ 3.93Å; F144-F186 HydrophobicContact CB-CE1 4.44Å; F144-F186 HydrophobicContact CB-CZ 4.45Å; F144-F186 AromaticContact CD1-CD1 3.81Å; F144-F186 HydrophobicContact CD1-CD1 3.81Å; F144-F186 AromaticContact CD1-CE1 3.66Å; F144-F186 HydrophobicContact CD1-CE1 3.66Å; F144-F186 HydrophobicContact CD1-CZ 4.45Å; F144-F186 HydrophobicContact CD2-CB 4.27Å; F144-F186 AromaticContact CD2-CD1 3.69Å; F144-F186 HydrophobicContact CD2-CD1 3.69Å; F144-F186 HydrophobicContact CD2-CD2 4.14Å; F144-F186 AromaticContact CD2-CE1 3.98Å; F144-F186 HydrophobicContact CD2-CE1 3.98Å; F144-F186 HydrophobicContact CD2-CE2 4.43Å; F144-F186 AromaticContact CD2-CG 3.76Å; F144-F186 HydrophobicContact CD2-CG 3.76Å; F144-F186 HydrophobicContact CD2-CZ 4.35Å; F144-F186 AromaticContact CE1-CD1 3.47Å; F144-F186 HydrophobicContact CE1-CD1 3.47Å; F144-F186 VanDerWaalsContact CE1-CD1 3.47Å; F144-F186 AromaticContact CE1-CE1 3.77Å; F144-F186 HydrophobicContact CE1-CE1 3.77Å; F144-F186 HydrophobicContact CE1-CG 4.36Å; F144-F186 HydrophobicContact CE2-CB 3.46Å; F144-F186 VanDerWaalsContact CE2-CB 3.46Å; F144-F186 AromaticContact CE2-CD1 3.36Å; F144-F186 HydrophobicContact CE2-CD1 3.36Å; F144-F186 HydrophobicContact CE2-CD2 4.18Å; F144-F186 HydrophobicContact CE2-CE1 4.09Å; F144-F186 AromaticContact CE2-CG 3.39Å; F144-F186 HydrophobicContact CE2-CG 3.39Å; F144-F186 AromaticContact CG-CD1 3.9Å; F144-F186 HydrophobicContact CG-CD1 3.9Å; F144-F186 AromaticContact CG-CE1 3.75Å; F144-F186 HydrophobicContact CG-CE1 3.75Å; F144-F186 HydrophobicContact CG-CG 4.38Å; F144-F186 HydrophobicContact CG-CZ 4.16Å; F144-F186 HydrophobicContact CZ-CB 3.78Å; F144-F186 AromaticContact CZ-CD1 3.22Å; F144-F186 HydrophobicContact CZ-CD1 3.22Å; F144-F186 AromaticContact CZ-CE1 3.97Å; F144-F186 HydrophobicContact CZ-CE1 3.97Å; F144-F186 AromaticContact CZ-CG 3.72Å; F144-F186 HydrophobicContact CZ-CG 3.72Å; I182-F186 PolarHBondContact O-N 3.31Å; P183-F186 PolarHBondContact O-N 3.03Å; F184-F186 VanDerWaalsContact C-N 3.26Å; F184-F186 PolarHBondContact O-N 3.31Å; F186-K188 VanDerWaalsContact C-N 3.27Å; F186-K188 PolarHBondContact O-N 3.23Å; F186-W189 HydrophobicContact CD2-CE3 4.03Å; F186-W189 AromaticContact CE2-CE3 3.64Å; F186-W189 HydrophobicContact CE2-CE3 3.64Å; F186-W189 AromaticContact CE2-CZ3 3.74Å; F186-W189 HydrophobicContact CE2-CZ3 3.74Å; F186-W189 HydrophobicContact CZ-CE3 4.34Å; F186-W189 HydrophobicContact CZ-CZ3 4.17Å; F186-W189 WeakPolarHBondContact O-CB 3.22Å; F186-W189 PolarHBondContact O-N 3.34Å; F186-L190 HydrophobicContact CD1-CD1 3.84Å; F186-L190 HydrophobicContact CD1-CG 4.34Å; F186-L190 HydrophobicContact CE1-CD1 3.66Å; F186-L190 HydrophobicContact CE1-CD2 4.42Å; F186-L190 HydrophobicContact CE1-CG 4.13Å; F186-L190 HydrophobicContact CZ-CD1 4.28Å; F186-L190 HydrophobicContact CZ-CD2 4.24Å; F186-L190 HydrophobicContact CZ-CG 4.29Å; F186-L190 WeakPolarHBondContact O-CG 3.39Å; F186-L190 PolarHBondContact O-N 3.43Å; F186-P315 HydrophobicContact CD1-CB 4.2Å; F186-L342 HydrophobicContact CE1-CB 4.33Å; F186-L342 HydrophobicContact CE1-CD1 3.81Å; F186-L342 HydrophobicContact CZ-CD1 4.25Å
187T97.9Very high94.2Very high0 Ų018.5 Ų18.50%010%0.097CC..Hα-helixtrans-61-37.9175.5-59.30000111.5L165 T167 P183 F184 L190 Q191 L198 F234 P315L165-T187 HydrophobicContact CB-CG2 4.49Å; L165-T187 HydrophobicContact CD1-CG2 4.1Å; T167-T187 HydrophobicContact CG2-CG2 4.08Å; P183-T187 WeakPolarHBondContact O-CB 3.38Å; P183-T187 PolarHBondContact O-N 3.42Å; P183-T187 PolarHBondContact O-OG1 3.5Å; F184-T187 PolarHBondContact O-N 2.75Å; T187-L190 PolarHBondContact O-N 2.76Å; T187-Q191 WeakPolarHBondContact O-CB 3.29Å; T187-Q191 PolarHBondContact O-N 2.91Å; T187-L198 HydrophobicContact CG2-CD1 3.52Å; T187-L198 HydrophobicContact CG2-CD2 3.75Å; T187-L198 HydrophobicContact CG2-CG 4.31Å; T187-F234 HydrophobicContact CG2-CE1 4.06Å; T187-F234 HydrophobicContact CG2-CZ 4.46Å; T187-P315 HydrophobicContact CG2-CG 4.48Å; T187-P315 WeakPolarHBondContact OG1-CG 3.38Å
188K97.3Very high94.5Very high49 Ų4918.3 Ų18.321%0.21310%0.095CC..Hα-helixtrans-64.9-44.1175.4-168.3-124.3179.5-590111.2F184 I185 F186 Q191 D192 C232 G233 F234F184-K188 VanDerWaalsContact O-CB 3.31Å; F184-K188 WeakPolarHBondContact O-CB 3.07Å; F184-K188 PolarHBondContact O-N 2.82Å; I185-K188 PolarHBondContact O-N 3.08Å; F186-K188 VanDerWaalsContact C-N 3.27Å; F186-K188 PolarHBondContact O-N 3.23Å; K188-Q191 PolarHBondContact O-N 2.79Å; K188-D192 IonicContact NZ-OD1 3.34Å; K188-D192 PolarHBondContact NZ-OD1 3.29Å; K188-D192 IonicContact NZ-OD2 2.68Å; K188-D192 PolarHBondContact NZ-OD2 2.94Å; K188-D192 PolarHBondContact O-N 3.22Å; K188-C232 WeakPolarHBondContact CD-O 3.41Å; K188-C232 WeakPolarHBondContact CE-O 3.41Å; K188-G233 WeakPolarHBondContact CE-O 3.49Å; K188-G233 PolarHBondContact NZ-O 2.79Å; K188-G233 VanDerWaalsContact NZ-O 3.11Å; K188-F234 VanDerWaalsContact CA-CE1 3.48Å; K188-F234 HydrophobicContact CB-CD1 4.04Å; K188-F234 HydrophobicContact CB-CE1 3.6Å; K188-F234 HydrophobicContact CB-CZ 3.98Å; K188-F234 HydrophobicContact CG-CD1 4.09Å; K188-F234 HydrophobicContact CG-CE1 4.17Å
189W96.6Very high94.8Very high30 Ų3018.3 Ų18.311%0.11410%0.095CC..Hα-helixtrans-60.3-45172.9176.379.9000111.9I127 H136 L139 I185 F186 Q191 D192 V193I127-W189 HydrophobicContact CG2-CH2 4.01Å; H136-W189 HydrophobicContact CB-CD2 3.61Å; H136-W189 HydrophobicContact CB-CE3 3.78Å; H136-W189 HydrophobicContact CB-CG 4.09Å; H136-W189 HydrophobicContact CB-CH2 4.18Å; H136-W189 HydrophobicContact CB-CZ2 4.02Å; H136-W189 HydrophobicContact CB-CZ3 4.06Å; H136-W189 AromaticContact CD2-CD1 3.78Å; H136-W189 AromaticContact CD2-CG 3.61Å; H136-W189 VanDerWaalsContact N-CZ2 3.33Å; L139-W189 HydrophobicContact CD1-CH2 3.92Å; L139-W189 HydrophobicContact CD1-CZ3 3.93Å; I185-W189 PolarHBondContact O-N 2.68Å; F186-W189 HydrophobicContact CD2-CE3 4.03Å; F186-W189 AromaticContact CE2-CE3 3.64Å; F186-W189 HydrophobicContact CE2-CE3 3.64Å; F186-W189 AromaticContact CE2-CZ3 3.74Å; F186-W189 HydrophobicContact CE2-CZ3 3.74Å; F186-W189 HydrophobicContact CZ-CE3 4.34Å; F186-W189 HydrophobicContact CZ-CZ3 4.17Å; F186-W189 WeakPolarHBondContact O-CB 3.22Å; F186-W189 PolarHBondContact O-N 3.34Å; W189-Q191 VanDerWaalsContact C-N 3.33Å; W189-Q191 PolarHBondContact O-N 2.73Å; W189-D192 PolarHBondContact O-N 2.75Å; W189-V193 HydrophobicContact CD2-CG1 4.13Å; W189-V193 HydrophobicContact CD2-CG2 4.39Å; W189-V193 HydrophobicContact CE3-CG2 4.43Å; W189-V193 HydrophobicContact CG-CG1 4.33Å; W189-V193 HydrophobicContact CH2-CG2 4.35Å; W189-V193 HydrophobicContact CZ2-CG1 3.98Å; W189-V193 HydrophobicContact CZ2-CG2 4.3Å; W189-V193 HydrophobicContact CZ3-CG2 4.41Å; W189-V193 WeakPolarHBondContact O-CG1 3.28Å; W189-V193 WeakPolarHBondContact O-CG2 3.18Å; W189-V193 PolarHBondContact O-N 3.42Å
190L95.9Very high95.2Very high2 Ų217.7 Ų17.71%0.019%0.09CC..Hα-helixtrans-59.7-42.1175.7-71.5172.5000112.1L165 F186 T187 F194 L313 P315 L342L165-L190 HydrophobicContact CD1-CB 3.75Å; L165-L190 HydrophobicContact CD2-CB 4.2Å; L165-L190 HydrophobicContact CD2-CD1 4.09Å; F186-L190 HydrophobicContact CD1-CD1 3.84Å; F186-L190 HydrophobicContact CD1-CG 4.34Å; F186-L190 HydrophobicContact CE1-CD1 3.66Å; F186-L190 HydrophobicContact CE1-CD2 4.42Å; F186-L190 HydrophobicContact CE1-CG 4.13Å; F186-L190 HydrophobicContact CZ-CD1 4.28Å; F186-L190 HydrophobicContact CZ-CD2 4.24Å; F186-L190 HydrophobicContact CZ-CG 4.29Å; F186-L190 WeakPolarHBondContact O-CG 3.39Å; F186-L190 PolarHBondContact O-N 3.43Å; T187-L190 PolarHBondContact O-N 2.76Å; L190-F194 HydrophobicContact CD2-CD2 4.04Å; L190-F194 HydrophobicContact CD2-CE2 3.7Å; L190-F194 WeakPolarHBondContact O-CB 3.39Å; L190-F194 WeakPolarHBondContact O-CD2 3.32Å; L190-F194 PolarHBondContact O-N 3.39Å; L190-F194 VanDerWaalsContact O-N 3.1Å; L190-L313 HydrophobicContact CD1-CD2 4.38Å; L190-P315 HydrophobicContact CD1-CB 4.21Å; L190-P315 HydrophobicContact CD1-CG 3.56Å; L190-L342 HydrophobicContact CD1-CD1 4.14Å
191Q95.6Very high95.5Very high2 Ų216.2 Ų16.21%0.0098%0.083CC..Hα-helixtrans-61.1-45.6175.6174.817577.900111.2L165 T187 K188 W189 D195 K238 T239L165-Q191 HydrophobicContact CD1-CB 4.11Å; T187-Q191 WeakPolarHBondContact O-CB 3.29Å; T187-Q191 PolarHBondContact O-N 2.91Å; K188-Q191 PolarHBondContact O-N 2.79Å; W189-Q191 VanDerWaalsContact C-N 3.33Å; W189-Q191 PolarHBondContact O-N 2.73Å; Q191-D195 VanDerWaalsContact O-CA 3.32Å; Q191-D195 WeakPolarHBondContact O-CA 3.4Å; Q191-D195 PolarHBondContact O-N 3.03Å; Q191-K238 PolarHBondContact NE2-O 3.4Å; Q191-T239 PolarHBondContact NE2-OG1 2.82Å
192D93.9Very high95.8Very high83 Ų8316 Ų1644%0.4448%0.081SC..Hα-helixtrans-67-42.3-178-64.7-20.8000112.2K188 W189K188-D192 IonicContact NZ-OD1 3.34Å; K188-D192 PolarHBondContact NZ-OD1 3.29Å; K188-D192 IonicContact NZ-OD2 2.68Å; K188-D192 PolarHBondContact NZ-OD2 2.94Å; K188-D192 PolarHBondContact O-N 3.22Å; W189-D192 PolarHBondContact O-N 2.75Å
193V92.8Very high96Very high11 Ų1116 Ų167%0.0678%0.082CC..Hα-helixtrans-80-32.2-174.4-58.50000113.5C131 W189C131-V193 HydrophobicContact CB-CB 4.08Å; C131-V193 HydrophobicContact CB-CG2 4.24Å; W189-V193 HydrophobicContact CD2-CG1 4.13Å; W189-V193 HydrophobicContact CD2-CG2 4.39Å; W189-V193 HydrophobicContact CE3-CG2 4.43Å; W189-V193 HydrophobicContact CG-CG1 4.33Å; W189-V193 HydrophobicContact CH2-CG2 4.35Å; W189-V193 HydrophobicContact CZ2-CG1 3.98Å; W189-V193 HydrophobicContact CZ2-CG2 4.3Å; W189-V193 HydrophobicContact CZ3-CG2 4.41Å; W189-V193 WeakPolarHBondContact O-CG1 3.28Å; W189-V193 WeakPolarHBondContact O-CG2 3.18Å; W189-V193 PolarHBondContact O-N 3.42Å
194F90.9Very high96.1Very high3 Ų315 Ų151%0.0138%0.075CC..Hα-helixtrans-96.8-13.4179.9-70.2-71.4000113.4V130 L154 Y157 F163 L190 I196V130-F194 HydrophobicContact CG1-CE1 4.11Å; L154-F194 HydrophobicContact CD2-CE1 4.3Å; L154-F194 HydrophobicContact CD2-CZ 4.16Å; Y157-F194 HydrophobicContact CD1-CD1 4.14Å; Y157-F194 HydrophobicContact CD1-CE1 4.25Å; Y157-F194 AromaticContact CD2-CD1 3.96Å; Y157-F194 HydrophobicContact CD2-CD1 3.96Å; Y157-F194 AromaticContact CE1-CD1 3.97Å; Y157-F194 HydrophobicContact CE1-CD1 3.97Å; Y157-F194 HydrophobicContact CE1-CE1 4.31Å; Y157-F194 HydrophobicContact CE2-CB 4.24Å; Y157-F194 AromaticContact CE2-CD1 3.78Å; Y157-F194 HydrophobicContact CE2-CD1 3.78Å; Y157-F194 WeakPolarHBondContact CE2-O 3.21Å; Y157-F194 HydrophobicContact CG-CD1 4.1Å; Y157-F194 HydrophobicContact CG-CE1 4.4Å; Y157-F194 AromaticContact CZ-CD1 3.77Å; F163-F194 HydrophobicContact CE1-CB 4.39Å; F163-F194 HydrophobicContact CE1-CD1 4.14Å; F163-F194 HydrophobicContact CE1-CG 4.3Å; F163-F194 HydrophobicContact CZ-CB 3.94Å; F163-F194 AromaticContact CZ-CD1 3.92Å; F163-F194 HydrophobicContact CZ-CD1 3.92Å; F163-F194 HydrophobicContact CZ-CD2 4.1Å; F163-F194 HydrophobicContact CZ-CE1 4.47Å; F163-F194 AromaticContact CZ-CG 3.72Å; F163-F194 HydrophobicContact CZ-CG 3.72Å; L190-F194 HydrophobicContact CD2-CD2 4.04Å; L190-F194 HydrophobicContact CD2-CE2 3.7Å; L190-F194 WeakPolarHBondContact O-CB 3.39Å; L190-F194 WeakPolarHBondContact O-CD2 3.32Å; L190-F194 PolarHBondContact O-N 3.39Å; L190-F194 VanDerWaalsContact O-N 3.1Å; F194-I196 HydrophobicContact CB-CD1 3.73Å; F194-I196 HydrophobicContact CB-CG1 3.95Å; F194-I196 HydrophobicContact CB-CG2 4.01Å; F194-I196 HydrophobicContact CG-CD1 4.48Å
195D91.9Very high96.1Very high83 Ų8315.6 Ų15.644%0.4448%0.079SC..THydrogen-bonded Turntrans5849.3-178.8-161.442.6000113.9Q191 K238Q191-D195 VanDerWaalsContact O-CA 3.32Å; Q191-D195 WeakPolarHBondContact O-CA 3.4Å; Q191-D195 PolarHBondContact O-N 3.03Å; D195-K238 WeakPolarHBondContact OD1-CE 3.37Å; D195-K238 IonicContact OD1-NZ 3.45Å; D195-K238 PolarHBondContact OD1-NZ 3.28Å
196I92.9Very high96.1Very high5 Ų514.6 Ų14.63%0.0267%0.073CC..  trans-119155.4-168.753.7-177.7000113.8F163 L165 F194F163-I196 HydrophobicContact CD1-CG2 4.32Å; F163-I196 HydrophobicContact CD2-CD1 3.74Å; F163-I196 HydrophobicContact CE1-CD1 4.3Å; F163-I196 HydrophobicContact CE1-CG2 4.17Å; F163-I196 HydrophobicContact CE2-CD1 3.1Å; F163-I196 HydrophobicContact CZ-CD1 3.45Å; F163-I196 VanDerWaalsContact CZ-CD1 3.45Å; F163-I196 HydrophobicContact CZ-CG2 4.3Å; F163-I196 WeakPolarHBondContact O-CB 3.11Å; F163-I196 WeakPolarHBondContact O-CG2 3.48Å; L165-I196 HydrophobicContact CD1-CD1 3.79Å; L165-I196 HydrophobicContact CD1-CG1 4Å; L165-I196 HydrophobicContact CD2-CD1 3.92Å; L165-I196 HydrophobicContact CG-CD1 3.48Å; L165-I196 VanDerWaalsContact CG-CD1 3.48Å; L165-I196 HydrophobicContact CG-CG1 4.04Å; F194-I196 HydrophobicContact CB-CD1 3.73Å; F194-I196 HydrophobicContact CB-CG1 3.95Å; F194-I196 HydrophobicContact CB-CG2 4.01Å; F194-I196 HydrophobicContact CG-CD1 4.48Å
197P96.2Very high95.9Very high0 Ų016 Ų160%08%0.079CC..  trans-69.5149.2174.428.2-33.1000112Y164 L165 K238 F304 L473 F475Y164-P197 WeakPolarHBondContact CA-O 3.47Å; Y164-P197 WeakPolarHBondContact CB-O 3.42Å; L165-P197 PolarHBondContact N-O 3.49Å; P197-K238 CarbonylContact C-O 3.57Å; P197-K238 WeakPolarHBondContact CA-O 3.34Å; P197-F304 HydrophobicContact CB-CE1 4.43Å; P197-F304 HydrophobicContact CB-CZ 4.38Å; P197-F304 HydrophobicContact CG-CE1 3.8Å; P197-F304 HydrophobicContact CG-CZ 4.08Å; P197-L473 HydrophobicContact CB-CD1 3.91Å; P197-F475 HydrophobicContact CB-CD1 3.95Å; P197-F475 HydrophobicContact CB-CE1 4.24Å; P197-F475 HydrophobicContact CB-CG 4.19Å; P197-F475 HydrophobicContact CG-CB 4.43Å; P197-F475 HydrophobicContact CG-CD1 3.98Å; P197-F475 HydrophobicContact CG-CD2 3.82Å; P197-F475 HydrophobicContact CG-CE1 4.19Å; P197-F475 HydrophobicContact CG-CE2 3.99Å; P197-F475 HydrophobicContact CG-CG 3.81Å; P197-F475 HydrophobicContact CG-CZ 4.19Å
198L97.9Very high95.8Very high0 Ų021.4 Ų21.40%010%0.101CC..EExtended strand (participates in β ladder)trans-129.5133.4-178.9169.762.2000110.2L165 T167 T187 I200 F234 K238 T239 F240L165-L198 HydrophobicContact CB-CB 4.25Å; L165-L198 HydrophobicContact CB-CD1 3.47Å; L165-L198 VanDerWaalsContact CB-CD1 3.47Å; L165-L198 HydrophobicContact CB-CG 4.43Å; L165-L198 WeakPolarHBondContact O-CA 3.31Å; T167-L198 HydrophobicContact CG2-CD1 4.33Å; T187-L198 HydrophobicContact CG2-CD1 3.52Å; T187-L198 HydrophobicContact CG2-CD2 3.75Å; T187-L198 HydrophobicContact CG2-CG 4.31Å; L198-I200 HydrophobicContact CD1-CG1 4.06Å; L198-I200 HydrophobicContact CD2-CD1 3.87Å; L198-I200 HydrophobicContact CD2-CG1 4.03Å; L198-I200 HydrophobicContact CG-CD1 4.26Å; L198-I200 HydrophobicContact CG-CG1 3.85Å; L198-F234 HydrophobicContact CD2-CD1 3.34Å; L198-F234 HydrophobicContact CD2-CE1 3.3Å; L198-F234 HydrophobicContact CD2-CG 4.2Å; L198-F234 HydrophobicContact CD2-CZ 4.15Å; L198-K238 PolarHBondContact N-O 3.23Å; L198-T239 HydrophobicContact CB-CG2 4.44Å; L198-T239 HydrophobicContact CD2-CG2 3.98Å; L198-T239 HydrophobicContact CG-CG2 4.16Å; L198-T239 WeakPolarHBondContact O-CA 3.37Å; L198-F240 PolarHBondContact O-N 3.45Å
199V98.3Very high95.7Very high0 Ų021.4 Ų21.40%010%0.103CC..EExtended strand (participates in β ladder)trans-113135167.4-58.30000110.4Y164 L165 Y166 T167 F240 F242 F300Y164-V199 HydrophobicContact CD2-CG2 4.01Å; Y164-V199 HydrophobicContact CE2-CG2 3.78Å; L165-V199 PolarHBondContact O-N 2.81Å; Y166-V199 WeakPolarHBondContact CA-O 3.49Å; Y166-V199 HydrophobicContact CD2-CG2 3.95Å; Y166-V199 HydrophobicContact CG-CG2 4.16Å; T167-V199 PolarHBondContact N-O 3.08Å; V199-F240 CarbonylContact C-O 3.57Å; V199-F240 VanDerWaalsContact CA-O 3.27Å; V199-F240 WeakPolarHBondContact CA-O 3.46Å; V199-F240 HydrophobicContact CG1-CB 4.42Å; V199-F240 HydrophobicContact CG1-CD1 4.28Å; V199-F242 HydrophobicContact CB-CE1 4.36Å; V199-F300 HydrophobicContact CB-CE1 4.46Å; V199-F300 HydrophobicContact CB-CE2 4.21Å; V199-F300 HydrophobicContact CB-CZ 4.08Å; V199-F300 HydrophobicContact CG1-CD1 4.38Å; V199-F300 HydrophobicContact CG1-CD2 4.07Å; V199-F300 HydrophobicContact CG1-CE1 4.38Å; V199-F300 HydrophobicContact CG1-CE2 4.06Å; V199-F300 HydrophobicContact CG1-CG 4.23Å; V199-F300 HydrophobicContact CG1-CZ 4.21Å; V199-F300 HydrophobicContact CG2-CE2 3.78Å; V199-F300 HydrophobicContact CG2-CZ 3.93Å
200I98.7Very high95.5Very high0 Ų022.8 Ų22.80%011%0.108CC..EExtended strand (participates in β ladder)trans-122.9115.3179.5-53.2-178.7000109.4T167 F184 L198 I229 F234 T239 F240 I241 F242T167-I200 HydrophobicContact CG2-CG1 4.08Å; T167-I200 HydrophobicContact CG2-CG2 4.39Å; T167-I200 VanDerWaalsContact O-CA 3.29Å; T167-I200 WeakPolarHBondContact O-CA 3.42Å; F184-I200 HydrophobicContact CE1-CD1 4.22Å; F184-I200 HydrophobicContact CE1-CG2 4.01Å; F184-I200 HydrophobicContact CZ-CG2 4.48Å; L198-I200 HydrophobicContact CD1-CG1 4.06Å; L198-I200 HydrophobicContact CD2-CD1 3.87Å; L198-I200 HydrophobicContact CD2-CG1 4.03Å; L198-I200 HydrophobicContact CG-CD1 4.26Å; L198-I200 HydrophobicContact CG-CG1 3.85Å; I200-I229 HydrophobicContact CD1-CG2 3.47Å; I200-I229 VanDerWaalsContact CD1-CG2 3.47Å; I200-I229 HydrophobicContact CG2-CD1 4.19Å; I200-F234 HydrophobicContact CD1-CD2 4.36Å; I200-F234 HydrophobicContact CD1-CE2 4.18Å; I200-F234 HydrophobicContact CD1-CZ 4.37Å; I200-T239 HydrophobicContact CD1-CG2 4.05Å; I200-T239 HydrophobicContact CG1-CG2 4.41Å; I200-F240 PolarHBondContact N-O 3.3Å; I200-I241 HydrophobicContact CB-CB 4.48Å; I200-I241 HydrophobicContact CB-CG1 4.16Å; I200-I241 HydrophobicContact CB-CG2 4.33Å; I200-I241 HydrophobicContact CD1-CD1 4.42Å; I200-I241 HydrophobicContact CD1-CG1 4.19Å; I200-I241 HydrophobicContact CG1-CG1 4.46Å; I200-I241 HydrophobicContact CG2-CG2 4.5Å; I200-I241 CarbonylContact O-C 3.51Å; I200-I241 WeakPolarHBondContact O-CA 3.16Å; I200-F242 WeakPolarHBondContact O-CD1 3.19Å; I200-F242 PolarHBondContact O-N 3.34Å
201Q98.6Very high95.2Very high1 Ų126.6 Ų26.61%0.00512%0.124CC..EExtended strand (participates in β ladder)trans-86.2132.2177.3-174.9177.730.500111.2Y166 T167 G168 R169 T203 F242 D244 I290Y166-Q201 HydrophobicContact CE2-CB 3.76Å; Y166-Q201 PolarHBondContact OH-OE1 3.47Å; T167-Q201 PolarHBondContact O-N 2.92Å; G168-Q201 CarbonylContact C-O 3.5Å; G168-Q201 WeakPolarHBondContact CA-O 3.36Å; R169-Q201 PolarHBondContact N-O 2.84Å; Q201-T203 HydrophobicContact CG-CG2 3.78Å; Q201-F242 HydrophobicContact CB-CE1 3.98Å; Q201-F242 HydrophobicContact CB-CE2 4.03Å; Q201-F242 HydrophobicContact CB-CZ 3.51Å; Q201-F242 HydrophobicContact CG-CE2 3.71Å; Q201-F242 HydrophobicContact CG-CZ 3.69Å; Q201-D244 WeakPolarHBondContact CG-OD1 3.42Å; Q201-D244 WeakPolarHBondContact CG-OD2 3.44Å; Q201-D244 VanDerWaalsContact NE2-CG 3.25Å; Q201-D244 PolarHBondContact NE2-OD1 3.07Å; Q201-D244 PolarHBondContact NE2-OD2 2.78Å; Q201-I290 PolarHBondContact NE2-O 3.41Å
202L98.3Very high95Very high0 Ų034.7 Ų34.70%017%0.168CC..EExtended strand (participates in β ladder)trans-109.3104.9169.4-60.4175.1000108.8R169 D204 A222 A226 I229 I241 F242 D244 M468R169-L202 HydrophobicContact CB-CD2 3.98Å; R169-L202 HydrophobicContact CG-CD2 4.29Å; R169-L202 WeakPolarHBondContact O-CA 3.38Å; L202-D204 PolarHBondContact O-N 2.78Å; L202-A222 HydrophobicContact CB-CB 4.1Å; L202-A222 HydrophobicContact CD1-CB 4.06Å; L202-A222 WeakPolarHBondContact CD1-O 3.24Å; L202-A226 HydrophobicContact CD1-CB 4Å; L202-I229 HydrophobicContact CD2-CD1 3.74Å; L202-I241 HydrophobicContact CD1-CG2 3.6Å; L202-I241 HydrophobicContact CG-CG2 3.94Å; L202-F242 WeakPolarHBondContact CB-O 3.2Å; L202-F242 PolarHBondContact N-O 3.07Å; L202-D244 PolarHBondContact O-N 2.74Å; L202-D244 VanDerWaalsContact O-N 3.1Å; L202-M468 HydrophobicContact CD1-CE 4.3Å
203T97.2Very high94.9Very high4 Ų432.6 Ų32.63%0.02516%0.156CC..  trans-83.762.6-172.859.10000111.3R169 G170 Q201 D205 E206 K207 D244 F287R169-T203 PolarHBondContact O-N 3.24Å; R169-T203 VanDerWaalsContact O-N 3.16Å; G170-T203 WeakPolarHBondContact CA-OG1 3.35Å; Q201-T203 HydrophobicContact CG-CG2 3.78Å; T203-D205 VanDerWaalsContact C-N 3.33Å; T203-E206 WeakPolarHBondContact CB-OE2 3.28Å; T203-E206 WeakPolarHBondContact O-CB 3.47Å; T203-E206 PolarHBondContact O-N 3.14Å; T203-E206 PolarHBondContact OG1-OE2 2.76Å; T203-K207 PolarHBondContact O-N 3.27Å; T203-D244 WeakPolarHBondContact CA-OD2 3.35Å; T203-D244 WeakPolarHBondContact CG2-OD2 3.47Å; T203-F287 HydrophobicContact CG2-CE2 4.33Å; T203-F287 HydrophobicContact CG2-CZ 3.88Å
204D96.5Very high95Very high0 Ų035.1 Ų35.10%017%0.172CC..Hα-helixtrans-69-31.117748.43.7000113.1P171 L202 K207 Y208 C218 A222 S243 D244 L245P171-D204 HydrophobicContact CG-CB 4.17Å; L202-D204 PolarHBondContact O-N 2.78Å; D204-K207 PolarHBondContact O-N 2.75Å; D204-Y208 WeakPolarHBondContact O-CB 3.16Å; D204-Y208 PolarHBondContact O-N 3.24Å; D204-C218 HydrophobicContact CB-CB 4.05Å; D204-C218 WeakPolarHBondContact O-CB 3.22Å; D204-A222 HydrophobicContact CB-CB 4.15Å; D204-S243 VanDerWaalsContact CG-OG 3.26Å; D204-S243 PolarHBondContact OD1-OG 3.25Å; D204-S243 VanDerWaalsContact OD2-CB 3.24Å; D204-S243 WeakPolarHBondContact OD2-CB 3.35Å; D204-S243 PolarHBondContact OD2-OG 3.19Å; D204-D244 PolarHBondContact OD1-N 2.85Å; D204-L245 HydrophobicContact CB-CD1 4.07Å; D204-L245 WeakPolarHBondContact OD1-CG 3.27Å; D204-L245 PolarHBondContact OD1-N 2.82Å; D204-L245 VanDerWaalsContact OD1-N 3.15Å
205D96.6Very high95.1Very high16 Ų1637.5 Ų37.59%0.08619%0.186CC..Hα-helixtrans-61.8-41.8168.365.8-14.9000112.6T203 K207 Y208 L209 D244 L245 I290T203-D205 VanDerWaalsContact C-N 3.33Å; D205-K207 VanDerWaalsContact C-N 3.34Å; D205-K207 PolarHBondContact O-N 3.19Å; D205-Y208 WeakPolarHBondContact O-CB 3.43Å; D205-Y208 PolarHBondContact O-N 3.45Å; D205-L209 WeakPolarHBondContact O-CB 3.33Å; D205-L209 VanDerWaalsContact O-CG 3.23Å; D205-L209 WeakPolarHBondContact O-CG 3.48Å; D205-L209 PolarHBondContact O-N 3.21Å; D205-D244 HydrophobicContact CB-CB 4.31Å; D205-D244 VanDerWaalsContact CG-CB 3.44Å; D205-D244 WeakPolarHBondContact OD1-CB 3.46Å; D205-L245 HydrophobicContact CB-CD2 3.87Å; D205-L245 HydrophobicContact CB-CG 4.12Å; D205-I290 VanDerWaalsContact OD2-CD1 3.32Å; D205-I290 WeakPolarHBondContact OD2-CD1 3.12Å
206E96.4Very high95.3Very high16 Ų1640.1 Ų40.18%0.07520%0.196CC..Hα-helixtrans-58.1-47.7172-170.3-151.814100110.4T203 Y208 L209 W210 F287T203-E206 WeakPolarHBondContact CB-OE2 3.28Å; T203-E206 WeakPolarHBondContact O-CB 3.47Å; T203-E206 PolarHBondContact O-N 3.14Å; T203-E206 PolarHBondContact OG1-OE2 2.76Å; E206-Y208 VanDerWaalsContact C-N 3.29Å; E206-Y208 PolarHBondContact O-N 3.38Å; E206-L209 PolarHBondContact O-N 3.23Å; E206-L209 VanDerWaalsContact O-N 3.1Å; E206-W210 HydrophobicContact CB-CE3 4.47Å; E206-W210 HydrophobicContact CG-CD2 4.34Å; E206-W210 HydrophobicContact CG-CE3 3.67Å; E206-W210 HydrophobicContact CG-CZ3 3.78Å; E206-W210 VanDerWaalsContact O-CE3 3.22Å; E206-W210 PolarHBondContact O-N 3.46Å; E206-F287 HydrophobicContact CB-CD2 4.06Å; E206-F287 HydrophobicContact CB-CE1 4.06Å; E206-F287 HydrophobicContact CB-CE2 3.47Å; E206-F287 VanDerWaalsContact CB-CE2 3.47Å; E206-F287 HydrophobicContact CB-CZ 3.47Å; E206-F287 VanDerWaalsContact CB-CZ 3.47Å; E206-F287 HydrophobicContact CG-CD1 4.1Å; E206-F287 HydrophobicContact CG-CD2 4.42Å; E206-F287 HydrophobicContact CG-CE1 3.61Å; E206-F287 HydrophobicContact CG-CE2 3.99Å; E206-F287 HydrophobicContact CG-CG 4.49Å; E206-F287 HydrophobicContact CG-CZ 3.56Å
207K93.6Very high95.3Very high32 Ų3243.4 Ų43.414%0.13921%0.211CC..Hα-helixtrans-67.6-34.8-177.7-62.6-53.5174.8-148.60112G170 P171 T203 D204 D205 K211G170-K207 VanDerWaalsContact O-CE 3.32Å; G170-K207 WeakPolarHBondContact O-CE 3.29Å; P171-K207 HydrophobicContact CG-CG 4.48Å; T203-K207 PolarHBondContact O-N 3.27Å; D204-K207 PolarHBondContact O-N 2.75Å; D205-K207 VanDerWaalsContact C-N 3.34Å; D205-K207 PolarHBondContact O-N 3.19Å; K207-K211 VanDerWaalsContact O-CB 3.31Å; K207-K211 WeakPolarHBondContact O-CB 3.27Å; K207-K211 PolarHBondContact O-N 3.22Å
208Y95.6Very high95.2Very high113 Ų11343.4 Ų43.444%0.44321%0.211SC..Hα-helixtrans-62.5-40.5169.8178.4-105.3000112.6D204 D205 E206 L213 V215 C218D204-Y208 WeakPolarHBondContact O-CB 3.16Å; D204-Y208 PolarHBondContact O-N 3.24Å; D205-Y208 WeakPolarHBondContact O-CB 3.43Å; D205-Y208 PolarHBondContact O-N 3.45Å; E206-Y208 VanDerWaalsContact C-N 3.29Å; E206-Y208 PolarHBondContact O-N 3.38Å; Y208-L213 VanDerWaalsContact CD2-O 3.24Å; Y208-L213 WeakPolarHBondContact CD2-O 3.47Å; Y208-L213 WeakPolarHBondContact CE2-O 3.49Å; Y208-V215 HydrophobicContact CD1-CG2 4.41Å; Y208-V215 HydrophobicContact CD2-CG2 3.71Å; Y208-V215 HydrophobicContact CE1-CG2 4.24Å; Y208-V215 HydrophobicContact CE2-CG2 3.52Å; Y208-V215 HydrophobicContact CG-CG2 4.16Å; Y208-C218 PolarHBondContact N-SG 3.33Å; Y208-C218 VanDerWaalsContact N-SG 3.44Å
209L94.9Very high95Very high49 Ų4946.2 Ų46.226%0.25722%0.224SC..Hα-helixtrans-73.3-29.3-179.7-72.3171.4000113.9D205 E206 K284 F287D205-L209 WeakPolarHBondContact O-CB 3.33Å; D205-L209 VanDerWaalsContact O-CG 3.23Å; D205-L209 WeakPolarHBondContact O-CG 3.48Å; D205-L209 PolarHBondContact O-N 3.21Å; E206-L209 PolarHBondContact O-N 3.23Å; E206-L209 VanDerWaalsContact O-N 3.1Å; L209-K284 HydrophobicContact CB-CG 4.41Å; L209-K284 WeakPolarHBondContact O-CE 3.24Å; L209-F287 HydrophobicContact CD1-CB 4.44Å
210W92.6Very high94.9Very high59 Ų5951.2 Ų51.222%0.22324%0.243CC..Hα-helixtrans-99.5-24.6-176.5-92.1-102.5000114.8W94 E206 F276 K284 F287W94-W210 AromaticContact CE2-NE1 3.56Å; W94-W210 HydrophobicContact CH2-CZ2 4.4Å; W94-W210 AromaticContact CZ2-CE2 3.83Å; W94-W210 AromaticContact CZ2-CZ2 3.51Å; W94-W210 HydrophobicContact CZ2-CZ2 3.51Å; W94-W210 AromaticContact CZ2-NE1 3.76Å; W94-W210 AromaticContact NE1-CD1 3.72Å; W94-W210 AromaticContact NE1-CE2 3.78Å; W94-W210 AromaticContact NE1-NE1 3.23Å; E206-W210 HydrophobicContact CB-CE3 4.47Å; E206-W210 HydrophobicContact CG-CD2 4.34Å; E206-W210 HydrophobicContact CG-CE3 3.67Å; E206-W210 HydrophobicContact CG-CZ3 3.78Å; E206-W210 VanDerWaalsContact O-CE3 3.22Å; E206-W210 PolarHBondContact O-N 3.46Å; W210-F276 HydrophobicContact CH2-CZ 4.23Å; W210-F276 AromaticContact CZ2-CE1 3.79Å; W210-F276 HydrophobicContact CZ2-CE1 3.79Å; W210-F276 AromaticContact CZ2-CZ 3.81Å; W210-F276 HydrophobicContact CZ2-CZ 3.81Å; W210-K284 HydrophobicContact CD2-CD 4.28Å; W210-K284 HydrophobicContact CD2-CG 3.93Å; W210-K284 HydrophobicContact CE3-CG 3.85Å; W210-K284 HydrophobicContact CH2-CB 3.8Å; W210-K284 HydrophobicContact CH2-CG 3.79Å; W210-K284 HydrophobicContact CZ2-CB 3.93Å; W210-K284 HydrophobicContact CZ2-CD 4.29Å; W210-K284 HydrophobicContact CZ2-CG 3.8Å; W210-K284 HydrophobicContact CZ3-CB 4.21Å; W210-K284 HydrophobicContact CZ3-CG 3.81Å; W210-F287 HydrophobicContact CH2-CB 3.84Å; W210-F287 AromaticContact CH2-CD1 3.76Å; W210-F287 HydrophobicContact CH2-CD1 3.76Å; W210-F287 AromaticContact CH2-CG 3.97Å; W210-F287 HydrophobicContact CH2-CG 3.97Å; W210-F287 HydrophobicContact CZ3-CB 3.85Å; W210-F287 AromaticContact CZ3-CD1 3.88Å; W210-F287 HydrophobicContact CZ3-CD1 3.88Å; W210-F287 HydrophobicContact CZ3-CD2 4.5Å; W210-F287 AromaticContact CZ3-CG 3.79Å; W210-F287 HydrophobicContact CZ3-CG 3.79Å
211K89.9Confident94.7Very high82 Ų8252.1 Ų52.136%0.35725%0.247SC..SBendtrans-118.2156.6-176.6-61.6-166.5171.1-1630111.5S172 K207 L213S172-K211 PolarHBondContact O-NZ 3.46Å; K207-K211 VanDerWaalsContact O-CB 3.31Å; K207-K211 WeakPolarHBondContact O-CB 3.27Å; K207-K211 PolarHBondContact O-N 3.22Å; K211-L213 VanDerWaalsContact C-N 3.28Å; K211-L213 HydrophobicContact CB-CD1 3.92Å; K211-L213 HydrophobicContact CB-CG 3.98Å; K211-L213 HydrophobicContact CD-CD1 3.93Å; K211-L213 PolarHBondContact O-N 3.46Å
212D90.6Very high94.5Very high172 Ų17252 Ų5292%0.9225%0.247SC*.SBendtrans-81.677.1171.5-167.424.2000109.4
213L91.8Very high94.4Very high39 Ų3954 Ų5420%0.20426%0.257CS..  trans-135.6152-179.8-67.1173.3000109.2Y208 K211 F221Y208-L213 VanDerWaalsContact CD2-O 3.24Å; Y208-L213 WeakPolarHBondContact CD2-O 3.47Å; Y208-L213 WeakPolarHBondContact CE2-O 3.49Å; K211-L213 VanDerWaalsContact C-N 3.28Å; K211-L213 HydrophobicContact CB-CD1 3.92Å; K211-L213 HydrophobicContact CB-CG 3.98Å; K211-L213 HydrophobicContact CD-CD1 3.93Å; K211-L213 PolarHBondContact O-N 3.46Å; L213-F221 HydrophobicContact CD1-CD2 4.29Å; L213-F221 HydrophobicContact CD1-CE2 3.86Å; L213-F221 HydrophobicContact CD2-CE2 4.24Å
214T95.3Very high94.3Very high64 Ų6456 Ų5639%0.39327%0.266SS..  trans-77.9161.5172.888.30000111.6E216 E217 C218T214-E216 VanDerWaalsContact C-N 3.25Å; T214-E216 VanDerWaalsContact CB-OE2 3.3Å; T214-E216 WeakPolarHBondContact CB-OE2 3.19Å; T214-E216 PolarHBondContact O-N 2.68Å; T214-E216 PolarHBondContact OG1-N 2.92Å; T214-E216 PolarHBondContact OG1-OE2 3.21Å; T214-E217 PolarHBondContact N-OE2 3.17Å; T214-E217 PolarHBondContact O-N 3.27Å; T214-E217 PolarHBondContact OG1-N 2.75Å; T214-C218 PolarHBondContact O-N 2.84Å
215V93.9Very high94.3Very high52 Ų5256 Ų5632%0.31527%0.266SS..Hα-helixtrans-59.6-41.2176.3178.70000110.4Y208 E217 C218 H219 L245Y208-V215 HydrophobicContact CD1-CG2 4.41Å; Y208-V215 HydrophobicContact CD2-CG2 3.71Å; Y208-V215 HydrophobicContact CE1-CG2 4.24Å; Y208-V215 HydrophobicContact CE2-CG2 3.52Å; Y208-V215 HydrophobicContact CG-CG2 4.16Å; V215-E217 VanDerWaalsContact C-N 3.35Å; V215-E217 PolarHBondContact O-N 2.78Å; V215-C218 PolarHBondContact O-N 2.98Å; V215-H219 WeakPolarHBondContact O-CB 3.27Å; V215-H219 PolarHBondContact O-N 3.26Å; V215-L245 HydrophobicContact CG1-CD1 3.67Å
216E94.9Very high94.3Very high138 Ų13855.3 Ų55.365%0.64526%0.262SS*.Hα-helixtrans-65.1-38178.8-58.173.3-160.700111.7T214 R220T214-E216 VanDerWaalsContact C-N 3.25Å; T214-E216 VanDerWaalsContact CB-OE2 3.3Å; T214-E216 WeakPolarHBondContact CB-OE2 3.19Å; T214-E216 PolarHBondContact O-N 2.68Å; T214-E216 PolarHBondContact OG1-N 2.92Å; T214-E216 PolarHBondContact OG1-OE2 3.21Å; E216-R220 VanDerWaalsContact O-CB 3.27Å; E216-R220 WeakPolarHBondContact O-CB 3.35Å; E216-R220 PolarHBondContact O-N 3.19Å
217E93.8Very high94.3Very high75 Ų7555.7 Ų55.735%0.3526%0.263SS..Hα-helixtrans-67-45.9175.5-70179.4133.300111.9T214 V215 R220 F221T214-E217 PolarHBondContact N-OE2 3.17Å; T214-E217 PolarHBondContact O-N 3.27Å; T214-E217 PolarHBondContact OG1-N 2.75Å; V215-E217 VanDerWaalsContact C-N 3.35Å; V215-E217 PolarHBondContact O-N 2.78Å; E217-R220 WeakPolarHBondContact O-CB 3.31Å; E217-R220 PolarHBondContact O-N 2.9Å; E217-F221 WeakPolarHBondContact O-CD2 3.44Å; E217-F221 VanDerWaalsContact O-CG 3.31Å; E217-F221 WeakPolarHBondContact O-CG 3.42Å; E217-F221 PolarHBondContact O-N 3.15Å
218C94.1Very high94.4Very high0 Ų054.2 Ų54.20%026%0.257CS..Hα-helixtrans-61.5-45.1177-72.70000111.7D204 Y208 T214 V215 R220 F221 A222D204-C218 HydrophobicContact CB-CB 4.05Å; D204-C218 WeakPolarHBondContact O-CB 3.22Å; Y208-C218 PolarHBondContact N-SG 3.33Å; Y208-C218 VanDerWaalsContact N-SG 3.44Å; T214-C218 PolarHBondContact O-N 2.84Å; V215-C218 PolarHBondContact O-N 2.98Å; C218-R220 VanDerWaalsContact C-N 3.35Å; C218-R220 PolarHBondContact O-N 2.73Å; C218-F221 PolarHBondContact O-N 2.94Å; C218-A222 PolarHBondContact O-N 3.41Å
219H94.1Very high94.5Very high58 Ų5848.9 Ų48.927%0.26924%0.236SC..Hα-helixtrans-62-42.9175-178.7-27.7000110.9V215 F221 A222 I223 D246V215-H219 WeakPolarHBondContact O-CB 3.27Å; V215-H219 PolarHBondContact O-N 3.26Å; H219-F221 VanDerWaalsContact C-N 3.31Å; H219-F221 PolarHBondContact O-N 3.49Å; H219-A222 WeakPolarHBondContact O-CB 3.45Å; H219-A222 PolarHBondContact O-N 3.06Å; H219-A222 VanDerWaalsContact O-N 3.12Å; H219-I223 WeakPolarHBondContact O-CG1 3.23Å; H219-I223 PolarHBondContact O-N 3.43Å; H219-D246 IonicContact CD2-OD1 3.81Å; H219-D246 IonicContact CE1-OD2 2.92Å; H219-D246 IonicContact NE2-OD1 2.65Å; H219-D246 IonicContact NE2-OD2 2.85Å; H219-D246 PolarHBondContact NE2-OD2 3.39Å
220R95.1Very high94.6Very high105 Ų10547.1 Ų47.140%0.39623%0.227SC..Hα-helixtrans-59.7-41.9175.8-174.1-179.469.485.9-7.4111.6E174 E216 E217 C218 A222 I223 E224E174-R220 IonicContact OE1-CZ 2.72Å; E174-R220 VanDerWaalsContact OE1-CZ 3.23Å; E174-R220 IonicContact OE1-NH1 2.69Å; E174-R220 PolarHBondContact OE1-NH1 3.25Å; E174-R220 IonicContact OE1-NH2 3.16Å; E174-R220 PolarHBondContact OE1-NH2 2.84Å; E216-R220 VanDerWaalsContact O-CB 3.27Å; E216-R220 WeakPolarHBondContact O-CB 3.35Å; E216-R220 PolarHBondContact O-N 3.19Å; E217-R220 WeakPolarHBondContact O-CB 3.31Å; E217-R220 PolarHBondContact O-N 2.9Å; C218-R220 VanDerWaalsContact C-N 3.35Å; C218-R220 PolarHBondContact O-N 2.73Å; R220-A222 VanDerWaalsContact C-N 3.33Å; R220-I223 PolarHBondContact O-N 3.1Å; R220-E224 PolarHBondContact O-N 3.43Å
221F94.9Very high94.8Very high19 Ų1944.3 Ų44.38%0.08322%0.216CC..Hα-helixtrans-64.4-37.2174.7-62.6-31000112.3P171 E174 L213 E217 C218 H219 E224 N225P171-F221 HydrophobicContact CB-CB 3.87Å; E174-F221 HydrophobicContact CG-CD1 3.76Å; E174-F221 HydrophobicContact CG-CE1 3.48Å; E174-F221 VanDerWaalsContact CG-CE1 3.48Å; L213-F221 HydrophobicContact CD1-CD2 4.29Å; L213-F221 HydrophobicContact CD1-CE2 3.86Å; L213-F221 HydrophobicContact CD2-CE2 4.24Å; E217-F221 WeakPolarHBondContact O-CD2 3.44Å; E217-F221 VanDerWaalsContact O-CG 3.31Å; E217-F221 WeakPolarHBondContact O-CG 3.42Å; E217-F221 PolarHBondContact O-N 3.15Å; C218-F221 PolarHBondContact O-N 2.94Å; H219-F221 VanDerWaalsContact C-N 3.31Å; H219-F221 PolarHBondContact O-N 3.49Å; F221-E224 PolarHBondContact O-N 3.41Å; F221-N225 WeakPolarHBondContact O-CB 3.24Å; F221-N225 PolarHBondContact O-N 3.07Å; F221-N225 PolarHBondContact O-ND2 2.83Å
222A95.6Very high95.1Very high0 Ų041.2 Ų41.20%021%0.205CC..Hα-helixtrans-57.8-48.9173.700000111.2P171 L202 D204 C218 H219 R220 E224 N225 A226P171-A222 HydrophobicContact CG-CB 4.1Å; L202-A222 HydrophobicContact CB-CB 4.1Å; L202-A222 HydrophobicContact CD1-CB 4.06Å; L202-A222 WeakPolarHBondContact CD1-O 3.24Å; D204-A222 HydrophobicContact CB-CB 4.15Å; C218-A222 PolarHBondContact O-N 3.41Å; H219-A222 WeakPolarHBondContact O-CB 3.45Å; H219-A222 PolarHBondContact O-N 3.06Å; H219-A222 VanDerWaalsContact O-N 3.12Å; R220-A222 VanDerWaalsContact C-N 3.33Å; A222-E224 PolarHBondContact O-N 2.62Å; A222-N225 PolarHBondContact O-N 3.25Å; A222-A226 WeakPolarHBondContact O-CB 3.48Å; A222-A226 PolarHBondContact O-N 2.8Å
223I95.3Very high95.3Very high42 Ų4234.6 Ų34.622%0.21518%0.177CC..Hα-helixtrans-62.5-43.2178.7-60.2-54.9000112H219 R220 A226 K227 V464 M468H219-I223 WeakPolarHBondContact O-CG1 3.23Å; H219-I223 PolarHBondContact O-N 3.43Å; R220-I223 PolarHBondContact O-N 3.1Å; I223-A226 WeakPolarHBondContact O-CB 3.4Å; I223-A226 PolarHBondContact O-N 3.27Å; I223-K227 PolarHBondContact O-N 3.31Å; I223-V464 HydrophobicContact CG2-CG1 4.2Å; I223-M468 HydrophobicContact CD1-CE 3.67Å; I223-M468 HydrophobicContact CD1-SD 3.44Å; I223-M468 WeakPolarHBondContact CD1-SD 3.49Å
224E95.1Very high95.5Very high46 Ų4633.2 Ų33.222%0.21517%0.17CC..Hα-helixtrans-69.3-35.8178.4-72.9-58.5125.800112.9R220 F221 A222 A226 K227 D228 R456R220-E224 PolarHBondContact O-N 3.43Å; F221-E224 PolarHBondContact O-N 3.41Å; A222-E224 PolarHBondContact O-N 2.62Å; E224-A226 VanDerWaalsContact C-N 3.33Å; E224-K227 WeakPolarHBondContact O-CB 3.41Å; E224-K227 PolarHBondContact O-N 2.88Å; E224-K227 IonicContact OE1-NZ 2.6Å; E224-K227 PolarHBondContact OE1-NZ 3.48Å; E224-D228 PolarHBondContact O-N 2.88Å; E224-R456 PolarHBondContact O-NH2 3.44Å; E224-R456 IonicContact OE2-CZ 2.66Å; E224-R456 IonicContact OE2-NH1 3.44Å; E224-R456 IonicContact OE2-NH2 2.93Å; E224-R456 PolarHBondContact OE2-NH2 2.99Å
225N95.9Very high95.6Very high0 Ų032.5 Ų32.50%016%0.163CC..Hα-helixtrans-71.3-30.7173.6-78.2-128.4000110.7R169 P171 S173 F221 A222 K227 D228 I229R169-N225 PolarHBondContact NE-OD1 2.91Å; P171-N225 HydrophobicContact CB-CB 4.29Å; S173-N225 PolarHBondContact O-ND2 3.02Å; F221-N225 WeakPolarHBondContact O-CB 3.24Å; F221-N225 PolarHBondContact O-N 3.07Å; F221-N225 PolarHBondContact O-ND2 2.83Å; A222-N225 PolarHBondContact O-N 3.25Å; N225-K227 VanDerWaalsContact C-N 3.27Å; N225-K227 PolarHBondContact O-N 2.8Å; N225-D228 PolarHBondContact O-N 3.4Å; N225-I229 VanDerWaalsContact O-CG1 3.27Å; N225-I229 WeakPolarHBondContact O-CG1 3.09Å; N225-I229 PolarHBondContact O-N 2.95Å
226A96.8Very high95.7Very high0 Ų031.7 Ų31.70%016%0.157CC..Hα-helixtrans-60.4-38.1172.300000111.2L202 A222 I223 E224 I229 I230 I241 V464 M468L202-A226 HydrophobicContact CD1-CB 4Å; A222-A226 WeakPolarHBondContact O-CB 3.48Å; A222-A226 PolarHBondContact O-N 2.8Å; I223-A226 WeakPolarHBondContact O-CB 3.4Å; I223-A226 PolarHBondContact O-N 3.27Å; E224-A226 VanDerWaalsContact C-N 3.33Å; A226-I229 PolarHBondContact O-N 3.01Å; A226-I230 WeakPolarHBondContact O-CB 3.42Å; A226-I230 WeakPolarHBondContact O-CD1 3.44Å; A226-I230 WeakPolarHBondContact O-CG1 3.21Å; A226-I230 PolarHBondContact O-N 3.16Å; A226-I241 HydrophobicContact CB-CG2 4.36Å; A226-V464 HydrophobicContact CB-CG1 4.06Å; A226-M468 HydrophobicContact CB-SD 4.04Å
227K96.8Very high95.7Very high25 Ų2529 Ų2911%0.10915%0.147CC..Hα-helixtrans-61.8-44.4174.5-66173.8179.7172.20112.2I223 E224 N225 I229 I230 A231 R456 V459 D461 V464I223-K227 PolarHBondContact O-N 3.31Å; E224-K227 WeakPolarHBondContact O-CB 3.41Å; E224-K227 PolarHBondContact O-N 2.88Å; E224-K227 IonicContact OE1-NZ 2.6Å; E224-K227 PolarHBondContact OE1-NZ 3.48Å; N225-K227 VanDerWaalsContact C-N 3.27Å; N225-K227 PolarHBondContact O-N 2.8Å; K227-I229 VanDerWaalsContact C-N 3.34Å; K227-I230 PolarHBondContact O-N 2.94Å; K227-A231 WeakPolarHBondContact O-CB 3.5Å; K227-A231 PolarHBondContact O-N 3.27Å; K227-R456 HydrophobicContact CB-CG 4.34Å; K227-V459 HydrophobicContact CB-CG1 4.25Å; K227-V459 HydrophobicContact CG-CG1 3.96Å; K227-D461 VanDerWaalsContact CE-OD1 3.3Å; K227-D461 WeakPolarHBondContact CE-OD1 3.32Å; K227-D461 IonicContact NZ-OD1 3.52Å; K227-D461 PolarHBondContact NZ-OD1 3.35Å; K227-V464 HydrophobicContact CD-CG2 4.39Å; K227-V464 HydrophobicContact CG-CG2 3.52Å
228D95.9Very high95.8Very high1 Ų126.6 Ų26.61%0.00514%0.135CC..Hα-helixtrans-61.6-42.6174.9-72.6-19.2000111.2M176 E224 N225 A231 C232 H452 R456M176-D228 HydrophobicContact CB-CB 4.49Å; M176-D228 HydrophobicContact CG-CB 4.19Å; M176-D228 PolarHBondContact N-OD2 2.89Å; M176-D228 HydrophobicContact SD-CB 3.41Å; M176-D228 WeakPolarHBondContact SD-CB 3.49Å; E224-D228 PolarHBondContact O-N 2.88Å; N225-D228 PolarHBondContact O-N 3.4Å; D228-A231 WeakPolarHBondContact O-CB 3.45Å; D228-A231 PolarHBondContact O-N 2.94Å; D228-C232 PolarHBondContact O-N 3.31Å; D228-C232 PolarHBondContact O-SG 3.17Å; D228-H452 PolarHBondContact O-CE1 3.04Å; D228-H452 IonicContact OD1-NE2 2.66Å; D228-R456 WeakPolarHBondContact OD1-CD 3.38Å; D228-R456 IonicContact OD1-CZ 2.84Å; D228-R456 IonicContact OD1-NE 3.31Å; D228-R456 PolarHBondContact OD1-NE 2.87Å; D228-R456 IonicContact OD1-NH2 2.69Å
229I96.9Very high96Very high0 Ų026.6 Ų26.60%014%0.135CC..Hα-helixtrans-65-47.1178.7-68.1164.1000110.7R169 M176 F184 I200 L202 N225 A226 K227 A231 C232 F234 I241R169-I229 HydrophobicContact CB-CD1 4.24Å; R169-I229 HydrophobicContact CG-CD1 4.48Å; M176-I229 HydrophobicContact CE-CG1 4.41Å; M176-I229 HydrophobicContact SD-CG1 4.16Å; F184-I229 HydrophobicContact CD1-CG1 4.43Å; F184-I229 HydrophobicContact CD1-CG2 4.19Å; F184-I229 HydrophobicContact CD2-CG1 4.41Å; F184-I229 HydrophobicContact CE1-CD1 4.05Å; F184-I229 HydrophobicContact CE1-CG1 3.95Å; F184-I229 HydrophobicContact CE1-CG2 4.03Å; F184-I229 HydrophobicContact CE2-CD1 4.27Å; F184-I229 HydrophobicContact CE2-CG1 3.96Å; F184-I229 HydrophobicContact CZ-CD1 3.66Å; F184-I229 HydrophobicContact CZ-CG1 3.71Å; I200-I229 HydrophobicContact CD1-CG2 3.47Å; I200-I229 VanDerWaalsContact CD1-CG2 3.47Å; I200-I229 HydrophobicContact CG2-CD1 4.19Å; L202-I229 HydrophobicContact CD2-CD1 3.74Å; N225-I229 VanDerWaalsContact O-CG1 3.27Å; N225-I229 WeakPolarHBondContact O-CG1 3.09Å; N225-I229 PolarHBondContact O-N 2.95Å; A226-I229 PolarHBondContact O-N 3.01Å; K227-I229 VanDerWaalsContact C-N 3.34Å; I229-A231 PolarHBondContact O-N 3.42Å; I229-C232 WeakPolarHBondContact O-CB 3.3Å; I229-C232 PolarHBondContact O-N 3.16Å; I229-F234 HydrophobicContact CG2-CD2 3.98Å; I229-F234 HydrophobicContact CG2-CE2 3.79Å; I229-F234 VanDerWaalsContact O-CD2 3.28Å; I229-F234 WeakPolarHBondContact O-CD2 3.39Å; I229-I241 HydrophobicContact CB-CD1 4.49Å; I229-I241 HydrophobicContact CG2-CD1 3.91Å
230I97Very high96.2Very high12 Ų1223.9 Ų23.96%0.06212%0.122CC..Hα-helixtrans-59.6-37.8176.7-67.2162.1000110.7A226 K227 C232 G233 I241 V459 L463 V464 F467A226-I230 WeakPolarHBondContact O-CB 3.42Å; A226-I230 WeakPolarHBondContact O-CD1 3.44Å; A226-I230 WeakPolarHBondContact O-CG1 3.21Å; A226-I230 PolarHBondContact O-N 3.16Å; K227-I230 PolarHBondContact O-N 2.94Å; I230-C232 PolarHBondContact O-N 3.1Å; I230-C232 VanDerWaalsContact O-N 3.08Å; I230-G233 PolarHBondContact O-N 2.96Å; I230-I241 HydrophobicContact CD1-CD1 4.33Å; I230-I241 HydrophobicContact CG1-CD1 3.78Å; I230-V459 HydrophobicContact CB-CG1 4.33Å; I230-V459 HydrophobicContact CB-CG2 4.2Å; I230-V459 HydrophobicContact CD1-CG1 4.14Å; I230-V459 HydrophobicContact CG2-CG1 4.11Å; I230-V459 HydrophobicContact CG2-CG2 3.71Å; I230-L463 HydrophobicContact CG2-CD2 3.99Å; I230-L463 HydrophobicContact CG2-CG 4.48Å; I230-V464 HydrophobicContact CD1-CB 4.33Å; I230-V464 HydrophobicContact CD1-CG2 3.99Å; I230-F467 HydrophobicContact CB-CE2 4.47Å; I230-F467 HydrophobicContact CD1-CB 4Å; I230-F467 HydrophobicContact CD1-CD2 3.63Å; I230-F467 HydrophobicContact CD1-CE2 4.23Å; I230-F467 HydrophobicContact CD1-CG 3.85Å; I230-F467 HydrophobicContact CG1-CB 4.42Å; I230-F467 HydrophobicContact CG1-CD1 4.15Å; I230-F467 HydrophobicContact CG1-CD2 3.77Å; I230-F467 HydrophobicContact CG1-CE1 4.31Å; I230-F467 HydrophobicContact CG1-CE2 3.97Å; I230-F467 HydrophobicContact CG1-CG 3.86Å; I230-F467 HydrophobicContact CG1-CZ 4.23Å; I230-F467 HydrophobicContact CG2-CD2 4.21Å; I230-F467 HydrophobicContact CG2-CE2 3.69Å; I230-F467 HydrophobicContact CG2-CZ 4.07Å
231A96.7Very high96.4Very high1 Ų118.9 Ų18.91%0.00810%0.104CC..THydrogen-bonded Turntrans-65-9.1176.300000114.4K227 D228 I229 G233 R455 R456K227-A231 WeakPolarHBondContact O-CB 3.5Å; K227-A231 PolarHBondContact O-N 3.27Å; D228-A231 WeakPolarHBondContact O-CB 3.45Å; D228-A231 PolarHBondContact O-N 2.94Å; I229-A231 PolarHBondContact O-N 3.42Å; A231-G233 PolarHBondContact O-N 3.42Å; A231-R455 HydrophobicContact CB-CB 4.2Å; A231-R455 PolarHBondContact O-NE 3.02Å; A231-R456 HydrophobicContact CB-CB 3.76Å; A231-R456 HydrophobicContact CB-CG 4.31Å
232C95.9Very high96.5Very high16 Ų1618.1 Ų18.111%0.10810%0.1CC..THydrogen-bonded Turntrans-73.3-13167.4-59.50000112.9K188 D228 I229 I230 F234K188-C232 WeakPolarHBondContact CD-O 3.41Å; K188-C232 WeakPolarHBondContact CE-O 3.41Å; D228-C232 PolarHBondContact O-N 3.31Å; D228-C232 PolarHBondContact O-SG 3.17Å; I229-C232 WeakPolarHBondContact O-CB 3.3Å; I229-C232 PolarHBondContact O-N 3.16Å; I230-C232 PolarHBondContact O-N 3.1Å; I230-C232 VanDerWaalsContact O-N 3.08Å; C232-F234 HydrophobicContact CB-CD2 4.13Å; C232-F234 HydrophobicContact CB-CE2 3.79Å
233G95.6Very high96.7Very high33 Ų3318.1 Ų18.134%0.3410%0.101SC..  trans88.333.4173.800000114.5K188 I230 A231K188-G233 WeakPolarHBondContact CE-O 3.49Å; K188-G233 PolarHBondContact NZ-O 2.79Å; K188-G233 VanDerWaalsContact NZ-O 3.11Å; I230-G233 PolarHBondContact O-N 2.96Å; A231-G233 PolarHBondContact O-N 3.42Å
234F97.1Very high96.8Very high11 Ų1116.2 Ų16.25%0.0489%0.091CC..  trans-64.4146.1172.6-70.3-74000111.7F184 T187 K188 L198 I200 I229 C232 I236 T239 F467F184-F234 HydrophobicContact CB-CE2 4.3Å; F184-F234 HydrophobicContact CB-CZ 4.16Å; F184-F234 AromaticContact CD1-CE2 3.98Å; F184-F234 HydrophobicContact CD1-CE2 3.98Å; F184-F234 AromaticContact CD1-CZ 3.9Å; F184-F234 HydrophobicContact CD1-CZ 3.9Å; F184-F234 WeakPolarHBondContact O-CZ 3.33Å; T187-F234 HydrophobicContact CG2-CE1 4.06Å; T187-F234 HydrophobicContact CG2-CZ 4.46Å; K188-F234 VanDerWaalsContact CA-CE1 3.48Å; K188-F234 HydrophobicContact CB-CD1 4.04Å; K188-F234 HydrophobicContact CB-CE1 3.6Å; K188-F234 HydrophobicContact CB-CZ 3.98Å; K188-F234 HydrophobicContact CG-CD1 4.09Å; K188-F234 HydrophobicContact CG-CE1 4.17Å; L198-F234 HydrophobicContact CD2-CD1 3.34Å; L198-F234 HydrophobicContact CD2-CE1 3.3Å; L198-F234 HydrophobicContact CD2-CG 4.2Å; L198-F234 HydrophobicContact CD2-CZ 4.15Å; I200-F234 HydrophobicContact CD1-CD2 4.36Å; I200-F234 HydrophobicContact CD1-CE2 4.18Å; I200-F234 HydrophobicContact CD1-CZ 4.37Å; I229-F234 HydrophobicContact CG2-CD2 3.98Å; I229-F234 HydrophobicContact CG2-CE2 3.79Å; I229-F234 VanDerWaalsContact O-CD2 3.28Å; I229-F234 WeakPolarHBondContact O-CD2 3.39Å; C232-F234 HydrophobicContact CB-CD2 4.13Å; C232-F234 HydrophobicContact CB-CE2 3.79Å; F234-I236 PolarHBondContact O-N 3.21Å; F234-T239 HydrophobicContact CB-CG2 4.14Å; F234-T239 HydrophobicContact CG-CG2 4.47Å; F234-F467 HydrophobicContact CB-CE1 4.33Å
235D95.6Very high96.8Very high48 Ų4816.9 Ų16.926%0.25710%0.096SC..  trans-71.6118.7176.8-177.6-4.7000109.6N237 K238 T239D235-N237 PolarHBondContact O-N 2.67Å; D235-N237 WeakPolarHBondContact OD1-CB 3.15Å; D235-N237 PolarHBondContact OD1-N 2.85Å; D235-N237 PolarHBondContact OD1-ND2 3.24Å; D235-N237 VanDerWaalsContact OD1-ND2 3.11Å; D235-K238 HydrophobicContact CB-CB 4.3Å; D235-K238 CarbonylContact O-C 3.5Å; D235-K238 PolarHBondContact O-N 3.32Å; D235-K238 VanDerWaalsContact O-N 3.08Å; D235-K238 IonicContact OD2-NZ 3.84Å; D235-K238 PolarHBondContact OD2-NZ 2.82Å; D235-T239 VanDerWaalsContact O-CB 3.23Å; D235-T239 WeakPolarHBondContact O-CB 2.99Å; D235-T239 PolarHBondContact O-N 3.33Å; D235-T239 PolarHBondContact O-OG1 3.36Å
236I95.8Very high96.8Very high36 Ų3620.7 Ų20.719%0.18512%0.116CC..THydrogen-bonded Turntrans-59.5-29.4177.2-167173.1000112.4F234 K238 L463 Q466 F467 R471F234-I236 PolarHBondContact O-N 3.21Å; I236-K238 PolarHBondContact O-N 3.3Å; I236-L463 HydrophobicContact CD1-CD1 3.46Å; I236-L463 VanDerWaalsContact CD1-CD1 3.46Å; I236-Q466 HydrophobicContact CD1-CB 4.13Å; I236-Q466 HydrophobicContact CD1-CG 3.71Å; I236-Q466 HydrophobicContact CG1-CG 4.32Å; I236-F467 HydrophobicContact CB-CE1 4.25Å; I236-F467 HydrophobicContact CB-CE2 3.77Å; I236-F467 HydrophobicContact CB-CZ 3.63Å; I236-F467 HydrophobicContact CD1-CD2 4.09Å; I236-F467 HydrophobicContact CD1-CE2 3.89Å; I236-F467 HydrophobicContact CG1-CD2 3.89Å; I236-F467 HydrophobicContact CG1-CE1 4.38Å; I236-F467 HydrophobicContact CG1-CE2 3.64Å; I236-F467 HydrophobicContact CG1-CG 4.37Å; I236-F467 HydrophobicContact CG1-CZ 3.91Å; I236-R471 PolarHBondContact O-NH2 3.45Å
237N95.8Very high96.9Very high80 Ų8021 Ų2143%0.42812%0.117SC..THydrogen-bonded Turntrans-76.9-16.3-178.7-56.2-63.3000112.1D235 L473 N474D235-N237 PolarHBondContact O-N 2.67Å; D235-N237 WeakPolarHBondContact OD1-CB 3.15Å; D235-N237 PolarHBondContact OD1-N 2.85Å; D235-N237 PolarHBondContact OD1-ND2 3.24Å; D235-N237 VanDerWaalsContact OD1-ND2 3.11Å; N237-L473 CarbonylContact O-C 3.52Å; N237-L473 VanDerWaalsContact O-CA 3.29Å; N237-L473 WeakPolarHBondContact O-CA 3.49Å; N237-L473 WeakPolarHBondContact O-CB 3.47Å; N237-N474 HydrophobicContact CB-CB 3.96Å; N237-N474 PolarHBondContact O-N 3.39Å
238K96.4Very high96.8Very high26 Ų2622.1 Ų22.111%0.11312%0.123CC..THydrogen-bonded Turntrans-121.34.5-174.5-66.2-179.3-171.3122.20114Q191 D195 P197 L198 D235 I236 N474Q191-K238 PolarHBondContact NE2-O 3.4Å; D195-K238 WeakPolarHBondContact OD1-CE 3.37Å; D195-K238 IonicContact OD1-NZ 3.45Å; D195-K238 PolarHBondContact OD1-NZ 3.28Å; P197-K238 CarbonylContact C-O 3.57Å; P197-K238 WeakPolarHBondContact CA-O 3.34Å; L198-K238 PolarHBondContact N-O 3.23Å; D235-K238 HydrophobicContact CB-CB 4.3Å; D235-K238 CarbonylContact O-C 3.5Å; D235-K238 PolarHBondContact O-N 3.32Å; D235-K238 VanDerWaalsContact O-N 3.08Å; D235-K238 IonicContact OD2-NZ 3.84Å; D235-K238 PolarHBondContact OD2-NZ 2.82Å; I236-K238 PolarHBondContact O-N 3.3Å; K238-N474 VanDerWaalsContact CE-O 3.25Å; K238-N474 WeakPolarHBondContact CE-O 3.22Å; K238-N474 WeakPolarHBondContact CG-O 3.27Å
239T98.2Very high96.6Very high0 Ų025.6 Ų25.60%016%0.16CC..EExtended strand (participates in β ladder)trans-124.2126.5-174.2-50.30000111.6Q191 L198 I200 F234 D235 I241 F467 R471Q191-T239 PolarHBondContact NE2-OG1 2.82Å; L198-T239 HydrophobicContact CB-CG2 4.44Å; L198-T239 HydrophobicContact CD2-CG2 3.98Å; L198-T239 HydrophobicContact CG-CG2 4.16Å; L198-T239 WeakPolarHBondContact O-CA 3.37Å; I200-T239 HydrophobicContact CD1-CG2 4.05Å; I200-T239 HydrophobicContact CG1-CG2 4.41Å; F234-T239 HydrophobicContact CB-CG2 4.14Å; F234-T239 HydrophobicContact CG-CG2 4.47Å; D235-T239 VanDerWaalsContact O-CB 3.23Å; D235-T239 WeakPolarHBondContact O-CB 2.99Å; D235-T239 PolarHBondContact O-N 3.33Å; D235-T239 PolarHBondContact O-OG1 3.36Å; T239-I241 HydrophobicContact CG2-CG1 4.1Å; T239-F467 HydrophobicContact CG2-CD1 4.05Å; T239-F467 HydrophobicContact CG2-CE1 4.05Å; T239-R471 PolarHBondContact O-NH2 2.87Å
240F98.4Very high96.4Very high0 Ų029 Ų290%018%0.184CC..EExtended strand (participates in β ladder)trans-115.7118.6171.5175.8-121.2000109.5L198 V199 I200 F242 Y247 F300 H302 P470 L473L198-F240 PolarHBondContact O-N 3.45Å; V199-F240 CarbonylContact C-O 3.57Å; V199-F240 VanDerWaalsContact CA-O 3.27Å; V199-F240 WeakPolarHBondContact CA-O 3.46Å; V199-F240 HydrophobicContact CG1-CB 4.42Å; V199-F240 HydrophobicContact CG1-CD1 4.28Å; I200-F240 PolarHBondContact N-O 3.3Å; F240-F242 AromaticContact CD1-CD1 3.96Å; F240-F242 HydrophobicContact CD1-CD1 3.96Å; F240-F242 HydrophobicContact CE1-CB 3.73Å; F240-F242 AromaticContact CE1-CD1 3.69Å; F240-F242 HydrophobicContact CE1-CD1 3.69Å; F240-F242 AromaticContact CE1-CG 3.92Å; F240-F242 HydrophobicContact CE1-CG 3.92Å; F240-F242 HydrophobicContact CE2-CB 4.33Å; F240-F242 HydrophobicContact CZ-CB 3.61Å; F240-F242 HydrophobicContact CZ-CD1 4.45Å; F240-F242 HydrophobicContact CZ-CG 4.31Å; F240-Y247 HydrophobicContact CE1-CD2 4.2Å; F240-Y247 HydrophobicContact CE1-CE1 4.42Å; F240-Y247 AromaticContact CE1-CE2 3.91Å; F240-Y247 HydrophobicContact CE1-CE2 3.91Å; F240-Y247 AromaticContact CZ-CD2 3.75Å; F240-Y247 HydrophobicContact CZ-CD2 3.75Å; F240-Y247 AromaticContact CZ-CE2 3.68Å; F240-Y247 HydrophobicContact CZ-CE2 3.68Å; F240-Y247 HydrophobicContact CZ-CG 4.44Å; F240-F300 AromaticContact CD1-CD1 4Å; F240-F300 HydrophobicContact CD1-CD1 4Å; F240-F300 HydrophobicContact CD1-CE1 4.23Å; F240-F300 AromaticContact CE1-CD1 3.81Å; F240-F300 HydrophobicContact CE1-CD1 3.81Å; F240-F300 HydrophobicContact CE1-CE1 4Å; F240-H302 AromaticContact CD1-NE2 3.65Å; F240-H302 AromaticContact CE1-CE1 3.61Å; F240-H302 AromaticContact CE1-NE2 3.6Å; F240-H302 AromaticContact CE2-NE2 3.96Å; F240-H302 AromaticContact CG-NE2 3.85Å; F240-H302 AromaticContact CZ-CE1 3.83Å; F240-H302 AromaticContact CZ-NE2 3.76Å; F240-P470 HydrophobicContact CE2-CB 4.39Å; F240-P470 HydrophobicContact CE2-CG 4.15Å; F240-P470 HydrophobicContact CZ-CB 4.46Å; F240-P470 HydrophobicContact CZ-CG 4.13Å; F240-L473 HydrophobicContact CB-CD1 4.25Å
241I98.4Very high96.3Very high0 Ų028.7 Ų28.70%018%0.182CC..EExtended strand (participates in β ladder)trans-105.3138.2176.3-53.3-177.5000106.9I200 L202 A226 I229 I230 T239 F467 M468I200-I241 HydrophobicContact CB-CB 4.48Å; I200-I241 HydrophobicContact CB-CG1 4.16Å; I200-I241 HydrophobicContact CB-CG2 4.33Å; I200-I241 HydrophobicContact CD1-CD1 4.42Å; I200-I241 HydrophobicContact CD1-CG1 4.19Å; I200-I241 HydrophobicContact CG1-CG1 4.46Å; I200-I241 HydrophobicContact CG2-CG2 4.5Å; I200-I241 CarbonylContact O-C 3.51Å; I200-I241 WeakPolarHBondContact O-CA 3.16Å; L202-I241 HydrophobicContact CD1-CG2 3.6Å; L202-I241 HydrophobicContact CG-CG2 3.94Å; A226-I241 HydrophobicContact CB-CG2 4.36Å; I229-I241 HydrophobicContact CB-CD1 4.49Å; I229-I241 HydrophobicContact CG2-CD1 3.91Å; I230-I241 HydrophobicContact CD1-CD1 4.33Å; I230-I241 HydrophobicContact CG1-CD1 3.78Å; T239-I241 HydrophobicContact CG2-CG1 4.1Å; I241-F467 HydrophobicContact CD1-CB 4.2Å; I241-F467 HydrophobicContact CD1-CD1 3.98Å; I241-F467 HydrophobicContact CD1-CG 4.33Å; I241-F467 HydrophobicContact CG1-CB 4.31Å; I241-F467 HydrophobicContact CG1-CD1 4.17Å; I241-F467 PolarHBondContact N-O 3.47Å; I241-M468 HydrophobicContact CB-CG 4.09Å; I241-M468 HydrophobicContact CG2-CG 4.32Å; I241-M468 WeakPolarHBondContact O-CA 3.43Å
242F98.3Very high96.1Very high3 Ų332.7 Ų32.71%0.01321%0.208CC..EExtended strand (participates in β ladder)trans-143.1141.4-18066.7-83.9000112.3V199 I200 Q201 L202 F240 D244 Y247 F254 P294 F300V199-F242 HydrophobicContact CB-CE1 4.36Å; I200-F242 WeakPolarHBondContact O-CD1 3.19Å; I200-F242 PolarHBondContact O-N 3.34Å; Q201-F242 HydrophobicContact CB-CE1 3.98Å; Q201-F242 HydrophobicContact CB-CE2 4.03Å; Q201-F242 HydrophobicContact CB-CZ 3.51Å; Q201-F242 HydrophobicContact CG-CE2 3.71Å; Q201-F242 HydrophobicContact CG-CZ 3.69Å; L202-F242 WeakPolarHBondContact CB-O 3.2Å; L202-F242 PolarHBondContact N-O 3.07Å; F240-F242 AromaticContact CD1-CD1 3.96Å; F240-F242 HydrophobicContact CD1-CD1 3.96Å; F240-F242 HydrophobicContact CE1-CB 3.73Å; F240-F242 AromaticContact CE1-CD1 3.69Å; F240-F242 HydrophobicContact CE1-CD1 3.69Å; F240-F242 AromaticContact CE1-CG 3.92Å; F240-F242 HydrophobicContact CE1-CG 3.92Å; F240-F242 HydrophobicContact CE2-CB 4.33Å; F240-F242 HydrophobicContact CZ-CB 3.61Å; F240-F242 HydrophobicContact CZ-CD1 4.45Å; F240-F242 HydrophobicContact CZ-CG 4.31Å; F242-D244 WeakPolarHBondContact CE2-OD1 3.36Å; F242-Y247 HydrophobicContact CB-CD2 4.48Å; F242-Y247 HydrophobicContact CB-CG 4.08Å; F242-Y247 AromaticContact CD2-CD1 3.7Å; F242-Y247 HydrophobicContact CD2-CD1 3.7Å; F242-Y247 AromaticContact CD2-CG 3.88Å; F242-Y247 HydrophobicContact CD2-CG 3.88Å; F242-Y247 HydrophobicContact CE2-CD1 4.07Å; F242-Y247 HydrophobicContact CG-CD1 4.15Å; F242-Y247 HydrophobicContact CG-CG 4.15Å; F242-F254 AromaticContact CE2-CE2 3.92Å; F242-F254 HydrophobicContact CE2-CE2 3.92Å; F242-F254 HydrophobicContact CE2-CZ 4.03Å; F242-F254 HydrophobicContact CZ-CE2 4.14Å; F242-P294 HydrophobicContact CZ-CB 4.31Å; F242-P294 HydrophobicContact CZ-CG 3.9Å; F242-F300 AromaticContact CD1-CE1 3.95Å; F242-F300 HydrophobicContact CD1-CE1 3.95Å; F242-F300 HydrophobicContact CD1-CZ 4.5Å; F242-F300 AromaticContact CE1-CE1 3.52Å; F242-F300 HydrophobicContact CE1-CE1 3.52Å; F242-F300 AromaticContact CE1-CZ 3.64Å; F242-F300 HydrophobicContact CE1-CZ 3.64Å; F242-F300 HydrophobicContact CE2-CE1 4.49Å; F242-F300 AromaticContact CZ-CE1 3.82Å; F242-F300 HydrophobicContact CZ-CE1 3.82Å; F242-F300 AromaticContact CZ-CZ 3.8Å; F242-F300 HydrophobicContact CZ-CZ 3.8Å
243S98.1Very high96.1Very high1 Ų134.6 Ų34.61%0.00722%0.215CC..EExtended strand (participates in β ladder)trans-78.3137.4164.2148.90000108.4D204 L245 D246 Y247D204-S243 VanDerWaalsContact CG-OG 3.26Å; D204-S243 PolarHBondContact OD1-OG 3.25Å; D204-S243 VanDerWaalsContact OD2-CB 3.24Å; D204-S243 WeakPolarHBondContact OD2-CB 3.35Å; D204-S243 PolarHBondContact OD2-OG 3.19Å; S243-L245 VanDerWaalsContact C-N 3.34Å; S243-L245 PolarHBondContact OG-N 3.26Å; S243-D246 PolarHBondContact OG-N 3.15Å; S243-Y247 WeakPolarHBondContact O-CB 3.45Å; S243-Y247 PolarHBondContact O-N 2.54Å
244D97.9Very high96.2Very high1 Ų133 Ų331%0.00520%0.199CC..Hα-helixtrans-65-41.4176-79.7-38.2000111.1Q201 L202 T203 D204 D205 F242 D246 M248 I290Q201-D244 WeakPolarHBondContact CG-OD1 3.42Å; Q201-D244 WeakPolarHBondContact CG-OD2 3.44Å; Q201-D244 VanDerWaalsContact NE2-CG 3.25Å; Q201-D244 PolarHBondContact NE2-OD1 3.07Å; Q201-D244 PolarHBondContact NE2-OD2 2.78Å; L202-D244 PolarHBondContact O-N 2.74Å; L202-D244 VanDerWaalsContact O-N 3.1Å; T203-D244 WeakPolarHBondContact CA-OD2 3.35Å; T203-D244 WeakPolarHBondContact CG2-OD2 3.47Å; D204-D244 PolarHBondContact OD1-N 2.85Å; D205-D244 HydrophobicContact CB-CB 4.31Å; D205-D244 VanDerWaalsContact CG-CB 3.44Å; D205-D244 WeakPolarHBondContact OD1-CB 3.46Å; F242-D244 WeakPolarHBondContact CE2-OD1 3.36Å; D244-D246 PolarHBondContact O-N 2.92Å; D244-M248 WeakPolarHBondContact O-CB 3.23Å; D244-M248 PolarHBondContact O-N 3.42Å; D244-I290 HydrophobicContact CB-CG2 4.46Å
245L95.4Very high96.3Very high61 Ų6138.5 Ų38.532%0.31922%0.221SC..Hα-helixtrans-58.3-44.7177.4-68.1171.2000112.6D204 D205 V215 S243D204-L245 HydrophobicContact CB-CD1 4.07Å; D204-L245 WeakPolarHBondContact OD1-CG 3.27Å; D204-L245 PolarHBondContact OD1-N 2.82Å; D204-L245 VanDerWaalsContact OD1-N 3.15Å; D205-L245 HydrophobicContact CB-CD2 3.87Å; D205-L245 HydrophobicContact CB-CG 4.12Å; V215-L245 HydrophobicContact CG1-CD1 3.67Å; S243-L245 VanDerWaalsContact C-N 3.34Å; S243-L245 PolarHBondContact OG-N 3.26Å
246D96.1Very high96.4Very high80 Ų8042.8 Ų42.843%0.42823%0.233SC..Hα-helixtrans-78.3-41.9-179.3-75.1-13.2000112.7H219 S243 D244 G249 S250H219-D246 IonicContact CD2-OD1 3.81Å; H219-D246 IonicContact CE1-OD2 2.92Å; H219-D246 IonicContact NE2-OD1 2.65Å; H219-D246 IonicContact NE2-OD2 2.85Å; H219-D246 PolarHBondContact NE2-OD2 3.39Å; S243-D246 PolarHBondContact OG-N 3.15Å; D244-D246 PolarHBondContact O-N 2.92Å; D246-G249 PolarHBondContact O-N 3.05Å; D246-S250 PolarHBondContact O-N 3.4Å; D246-S250 PolarHBondContact O-OG 3.02Å
247Y97.6Very high96.5Very high7 Ų741.1 Ų41.13%0.02722%0.224CC..Hα-helixtrans-75.7-33.8-172.2-167.3-118.1000112.6F240 F242 S243 G249 S250 S251 F254 S299 F300 H302 P470F240-Y247 HydrophobicContact CE1-CD2 4.2Å; F240-Y247 HydrophobicContact CE1-CE1 4.42Å; F240-Y247 AromaticContact CE1-CE2 3.91Å; F240-Y247 HydrophobicContact CE1-CE2 3.91Å; F240-Y247 AromaticContact CZ-CD2 3.75Å; F240-Y247 HydrophobicContact CZ-CD2 3.75Å; F240-Y247 AromaticContact CZ-CE2 3.68Å; F240-Y247 HydrophobicContact CZ-CE2 3.68Å; F240-Y247 HydrophobicContact CZ-CG 4.44Å; F242-Y247 HydrophobicContact CB-CD2 4.48Å; F242-Y247 HydrophobicContact CB-CG 4.08Å; F242-Y247 AromaticContact CD2-CD1 3.7Å; F242-Y247 HydrophobicContact CD2-CD1 3.7Å; F242-Y247 AromaticContact CD2-CG 3.88Å; F242-Y247 HydrophobicContact CD2-CG 3.88Å; F242-Y247 HydrophobicContact CE2-CD1 4.07Å; F242-Y247 HydrophobicContact CG-CD1 4.15Å; F242-Y247 HydrophobicContact CG-CG 4.15Å; S243-Y247 WeakPolarHBondContact O-CB 3.45Å; S243-Y247 PolarHBondContact O-N 2.54Å; Y247-G249 PolarHBondContact O-N 3.21Å; Y247-S250 WeakPolarHBondContact CA-OG 3.49Å; Y247-S250 PolarHBondContact O-N 3.43Å; Y247-S250 VanDerWaalsContact O-N 3.11Å; Y247-S250 PolarHBondContact O-OG 3.39Å; Y247-S251 PolarHBondContact O-N 3.16Å; Y247-S251 WeakPolarHBondContact OH-CB 3.44Å; Y247-S251 PolarHBondContact OH-OG 3.02Å; Y247-S251 VanDerWaalsContact OH-OG 3.1Å; Y247-F254 HydrophobicContact CD1-CB 4.3Å; Y247-F254 AromaticContact CD1-CD2 3.73Å; Y247-F254 HydrophobicContact CD1-CD2 3.73Å; Y247-F254 HydrophobicContact CD1-CE2 4.15Å; Y247-F254 AromaticContact CD1-CG 3.96Å; Y247-F254 HydrophobicContact CD1-CG 3.96Å; Y247-F254 HydrophobicContact CE1-CB 3.96Å; Y247-F254 AromaticContact CE1-CD2 3.55Å; Y247-F254 HydrophobicContact CE1-CD2 3.55Å; Y247-F254 HydrophobicContact CE1-CE2 4.28Å; Y247-F254 AromaticContact CE1-CG 3.93Å; Y247-F254 HydrophobicContact CE1-CG 3.93Å; Y247-S299 PolarHBondContact OH-O 3.48Å; Y247-S299 VanDerWaalsContact OH-O 3.05Å; Y247-F300 HydrophobicContact CD1-CE1 4.32Å; Y247-F300 AromaticContact CE1-CD1 3.66Å; Y247-F300 HydrophobicContact CE1-CD1 3.66Å; Y247-F300 AromaticContact CE1-CE1 3.65Å; Y247-F300 HydrophobicContact CE1-CE1 3.65Å; Y247-F300 AromaticContact CZ-CD1 3.79Å; Y247-H302 AromaticContact CE2-CE1 3.71Å; Y247-H302 AromaticContact CZ-CE1 3.67Å; Y247-H302 PolarHBondContact OH-CE1 2.98Å; Y247-H302 PolarHBondContact OH-ND1 3.48Å; Y247-P470 HydrophobicContact CD2-CG 4.23Å; Y247-P470 HydrophobicContact CE2-CB 4.46Å; Y247-P470 HydrophobicContact CE2-CG 4.02Å
248M95.2Very high96.6Very high47 Ų4737.4 Ų37.423%0.23221%0.205CC..Hα-helixtrans-57.8-38.7175.3-168.376.370.600111.7D244 F254 Y255 V258 I290D244-M248 WeakPolarHBondContact O-CB 3.23Å; D244-M248 PolarHBondContact O-N 3.42Å; M248-F254 HydrophobicContact CE-CD1 3.97Å; M248-F254 HydrophobicContact CE-CE1 3.65Å; M248-F254 HydrophobicContact SD-CD1 3.64Å; M248-F254 HydrophobicContact SD-CE1 3.98Å; M248-Y255 HydrophobicContact CG-CD2 4.49Å; M248-Y255 HydrophobicContact SD-CD2 3.66Å; M248-Y255 HydrophobicContact SD-CG 4.26Å; M248-V258 HydrophobicContact CE-CG2 4.26Å; M248-V258 HydrophobicContact SD-CG2 4.4Å; M248-I290 HydrophobicContact CE-CD1 4.06Å; M248-I290 HydrophobicContact CE-CG1 4.08Å; M248-I290 HydrophobicContact CE-CG2 4.01Å
249G91.9Very high96.7Very high75 Ų7539.2 Ų39.277%0.77322%0.218SC*.Hα-helixtrans-75-24.917800000114.3D246 Y247D246-G249 PolarHBondContact O-N 3.05Å; Y247-G249 PolarHBondContact O-N 3.21Å
250S92.8Very high96.7Very high72 Ų7242.5 Ų42.550%0.50323%0.232SC..Hα-helixtrans-100-16.2-175.857.90000114.5D246 Y247D246-S250 PolarHBondContact O-N 3.4Å; D246-S250 PolarHBondContact O-OG 3.02Å; Y247-S250 WeakPolarHBondContact CA-OG 3.49Å; Y247-S250 PolarHBondContact O-N 3.43Å; Y247-S250 VanDerWaalsContact O-N 3.11Å; Y247-S250 PolarHBondContact O-OG 3.39Å
251S94.4Very high96.7Very high5 Ų542.6 Ų42.64%0.03523%0.232CC..  trans-120.698.2-179.3-172.80000112.8Y247 E253 F254 Y255 S299Y247-S251 PolarHBondContact O-N 3.16Å; Y247-S251 WeakPolarHBondContact OH-CB 3.44Å; Y247-S251 PolarHBondContact OH-OG 3.02Å; Y247-S251 VanDerWaalsContact OH-OG 3.1Å; S251-E253 PolarHBondContact O-N 3.17Å; S251-F254 WeakPolarHBondContact O-CB 3.48Å; S251-F254 PolarHBondContact O-N 3.31Å; S251-F254 PolarHBondContact OG-N 3.22Å; S251-Y255 PolarHBondContact O-N 3.35Å; S251-S299 PolarHBondContact OG-O 2.92Å
252P94.2Very high96.7Very high85 Ų8545.9 Ų45.955%0.55225%0.248SC*.Hα-helixtrans-60.1-32.4175.9-24.534000113.4R256P252-R256 VanDerWaalsContact O-CG 3.25Å; P252-R256 WeakPolarHBondContact O-CG 3.33Å; P252-R256 PolarHBondContact O-N 2.96Å
253E95.8Very high96.6Very high55 Ų5554.1 Ų54.126%0.25728%0.284SS..Hα-helixtrans-71-33.6179.7-63.1-58150.300112.6S251 R256 N257 N298 P301S251-E253 PolarHBondContact O-N 3.17Å; E253-R256 PolarHBondContact O-N 3.36Å; E253-R256 IonicContact OE1-CZ 3.76Å; E253-R256 IonicContact OE1-NH1 3.43Å; E253-R256 PolarHBondContact OE1-NH1 2.97Å; E253-R256 WeakPolarHBondContact OE2-CD 3.41Å; E253-R256 IonicContact OE2-NH1 2.77Å; E253-N257 PolarHBondContact O-N 2.87Å; E253-N257 VanDerWaalsContact O-N 3.08Å; E253-N298 VanDerWaalsContact CB-O 3.22Å; E253-N298 WeakPolarHBondContact CB-O 3.45Å; E253-P301 HydrophobicContact CB-CG 4.23Å; E253-P301 HydrophobicContact CG-CB 4.37Å; E253-P301 HydrophobicContact CG-CG 4.07Å
254F97.8Very high96.6Very high0 Ų056.9 Ų56.90%030%0.296CS..Hα-helixtrans-58.9-52.9174.4-170.9-91000110.1F242 Y247 M248 S251 R256 N257 V258 I290 A293 P294 F300F242-F254 AromaticContact CE2-CE2 3.92Å; F242-F254 HydrophobicContact CE2-CE2 3.92Å; F242-F254 HydrophobicContact CE2-CZ 4.03Å; F242-F254 HydrophobicContact CZ-CE2 4.14Å; Y247-F254 HydrophobicContact CD1-CB 4.3Å; Y247-F254 AromaticContact CD1-CD2 3.73Å; Y247-F254 HydrophobicContact CD1-CD2 3.73Å; Y247-F254 HydrophobicContact CD1-CE2 4.15Å; Y247-F254 AromaticContact CD1-CG 3.96Å; Y247-F254 HydrophobicContact CD1-CG 3.96Å; Y247-F254 HydrophobicContact CE1-CB 3.96Å; Y247-F254 AromaticContact CE1-CD2 3.55Å; Y247-F254 HydrophobicContact CE1-CD2 3.55Å; Y247-F254 HydrophobicContact CE1-CE2 4.28Å; Y247-F254 AromaticContact CE1-CG 3.93Å; Y247-F254 HydrophobicContact CE1-CG 3.93Å; M248-F254 HydrophobicContact CE-CD1 3.97Å; M248-F254 HydrophobicContact CE-CE1 3.65Å; M248-F254 HydrophobicContact SD-CD1 3.64Å; M248-F254 HydrophobicContact SD-CE1 3.98Å; S251-F254 WeakPolarHBondContact O-CB 3.48Å; S251-F254 PolarHBondContact O-N 3.31Å; S251-F254 PolarHBondContact OG-N 3.22Å; F254-R256 VanDerWaalsContact C-N 3.34Å; F254-R256 PolarHBondContact O-N 3.22Å; F254-N257 PolarHBondContact O-N 2.96Å; F254-N257 VanDerWaalsContact O-N 3.11Å; F254-V258 HydrophobicContact CD1-CG2 4.18Å; F254-V258 HydrophobicContact CE1-CG2 4.08Å; F254-V258 WeakPolarHBondContact O-CG2 3.27Å; F254-V258 PolarHBondContact O-N 3.42Å; F254-I290 HydrophobicContact CE1-CG2 4.33Å; F254-A293 HydrophobicContact CE1-CB 4.5Å; F254-A293 HydrophobicContact CE2-CB 4.25Å; F254-A293 HydrophobicContact CZ-CB 4.17Å; F254-P294 HydrophobicContact CE2-CG 3.91Å; F254-P294 HydrophobicContact CZ-CG 4.15Å; F254-F300 HydrophobicContact CD2-CE1 4.46Å; F254-F300 HydrophobicContact CE2-CE1 4.49Å; F254-F300 HydrophobicContact CE2-CZ 4.4Å
255Y98Very high96.6Very high127 Ų12758 Ų5850%0.49830%0.303SS..Hα-helixtrans-63.5-36.3178-174.6-115.8000113.1M248 S251 N257 V258 V259M248-Y255 HydrophobicContact CG-CD2 4.49Å; M248-Y255 HydrophobicContact SD-CD2 3.66Å; M248-Y255 HydrophobicContact SD-CG 4.26Å; S251-Y255 PolarHBondContact O-N 3.35Å; Y255-N257 VanDerWaalsContact C-N 3.28Å; Y255-N257 PolarHBondContact O-N 2.92Å; Y255-V258 HydrophobicContact CD2-CB 4.38Å; Y255-V258 WeakPolarHBondContact O-CB 3.35Å; Y255-V258 PolarHBondContact O-N 3.1Å; Y255-V258 VanDerWaalsContact O-N 3.16Å; Y255-V259 HydrophobicContact CD1-CG2 4.17Å; Y255-V259 HydrophobicContact CD2-CG2 4.49Å; Y255-V259 HydrophobicContact CE1-CG2 3.75Å; Y255-V259 HydrophobicContact CE2-CG2 4.1Å; Y255-V259 WeakPolarHBondContact O-CG2 3.28Å; Y255-V259 PolarHBondContact O-N 3.07Å
256R97.8Very high96.7Very high138 Ų13858.8 Ų58.852%0.52131%0.31SS..Hα-helixtrans-59.6-38.2174.1-74.9169.5-175.3-177.15.1112.3P252 E253 F254 K260P252-R256 VanDerWaalsContact O-CG 3.25Å; P252-R256 WeakPolarHBondContact O-CG 3.33Å; P252-R256 PolarHBondContact O-N 2.96Å; E253-R256 PolarHBondContact O-N 3.36Å; E253-R256 IonicContact OE1-CZ 3.76Å; E253-R256 IonicContact OE1-NH1 3.43Å; E253-R256 PolarHBondContact OE1-NH1 2.97Å; E253-R256 WeakPolarHBondContact OE2-CD 3.41Å; E253-R256 IonicContact OE2-NH1 2.77Å; F254-R256 VanDerWaalsContact C-N 3.34Å; F254-R256 PolarHBondContact O-N 3.22Å; R256-K260 VanDerWaalsContact O-CG 3.32Å; R256-K260 WeakPolarHBondContact O-CG 3.13Å; R256-K260 PolarHBondContact O-N 3.3Å; R256-K260 VanDerWaalsContact O-N 3.1Å
257N98Very high96.7Very high0 Ų058.3 Ų58.30%031%0.305CS..Hα-helixtrans-70.9-39.8174.8-80.5-13.7000111.7E253 F254 Y255 V259 K260 I261 A293 N298 S299 Y336E253-N257 PolarHBondContact O-N 2.87Å; E253-N257 VanDerWaalsContact O-N 3.08Å; F254-N257 PolarHBondContact O-N 2.96Å; F254-N257 VanDerWaalsContact O-N 3.11Å; Y255-N257 VanDerWaalsContact C-N 3.28Å; Y255-N257 PolarHBondContact O-N 2.92Å; N257-V259 VanDerWaalsContact C-N 3.34Å; N257-V259 PolarHBondContact O-N 3.22Å; N257-K260 WeakPolarHBondContact O-CB 3.4Å; N257-K260 PolarHBondContact O-N 3.05Å; N257-I261 WeakPolarHBondContact O-CD1 3.27Å; N257-I261 WeakPolarHBondContact O-CG1 3.29Å; N257-I261 PolarHBondContact O-N 2.79Å; N257-A293 HydrophobicContact CB-CB 4.36Å; N257-N298 VanDerWaalsContact ND2-CG 3.31Å; N257-N298 PolarHBondContact ND2-ND2 3.39Å; N257-N298 PolarHBondContact ND2-OD1 3.12Å; N257-N298 PolarHBondContact OD1-ND2 2.93Å; N257-S299 PolarHBondContact ND2-N 3.06Å; N257-S299 PolarHBondContact ND2-OG 3.16Å; N257-Y336 WeakPolarHBondContact OD1-CE2 3.22Å; N257-Y336 PolarHBondContact OD1-OH 3.4Å
258V98.2Very high96.6Very high2 Ų264 Ų641%0.01234%0.336CS..Hα-helixtrans-53.8-50.4171.8174.70000110.8M248 F254 Y255 K260 I261 Q262 A289 I290 A293M248-V258 HydrophobicContact CE-CG2 4.26Å; M248-V258 HydrophobicContact SD-CG2 4.4Å; F254-V258 HydrophobicContact CD1-CG2 4.18Å; F254-V258 HydrophobicContact CE1-CG2 4.08Å; F254-V258 WeakPolarHBondContact O-CG2 3.27Å; F254-V258 PolarHBondContact O-N 3.42Å; Y255-V258 HydrophobicContact CD2-CB 4.38Å; Y255-V258 WeakPolarHBondContact O-CB 3.35Å; Y255-V258 PolarHBondContact O-N 3.1Å; Y255-V258 VanDerWaalsContact O-N 3.16Å; V258-K260 PolarHBondContact O-N 3.16Å; V258-I261 PolarHBondContact O-N 3.35Å; V258-I261 VanDerWaalsContact O-N 3.14Å; V258-Q262 HydrophobicContact CG1-CG 4.28Å; V258-Q262 WeakPolarHBondContact O-CG 3.21Å; V258-Q262 PolarHBondContact O-N 3.13Å; V258-A289 HydrophobicContact CG1-CB 4.13Å; V258-I290 HydrophobicContact CG1-CG1 4.18Å; V258-I290 HydrophobicContact CG2-CG1 4.44Å; V258-A293 HydrophobicContact CG2-CB 3.71Å
259V98.3Very high96.6Very high64 Ų6465 Ų6539%0.38834%0.34SS..Hα-helixtrans-62.2-40.7179174.30000112Y255 N257 I261 Q262 K263Y255-V259 HydrophobicContact CD1-CG2 4.17Å; Y255-V259 HydrophobicContact CD2-CG2 4.49Å; Y255-V259 HydrophobicContact CE1-CG2 3.75Å; Y255-V259 HydrophobicContact CE2-CG2 4.1Å; Y255-V259 WeakPolarHBondContact O-CG2 3.28Å; Y255-V259 PolarHBondContact O-N 3.07Å; N257-V259 VanDerWaalsContact C-N 3.34Å; N257-V259 PolarHBondContact O-N 3.22Å; V259-I261 VanDerWaalsContact C-N 3.33Å; V259-I261 PolarHBondContact O-N 3.2Å; V259-Q262 PolarHBondContact O-N 3.2Å; V259-K263 PolarHBondContact O-N 3.18Å
260K97.9Very high96.7Very high70 Ų7061.6 Ų61.630%0.30430%0.304SS..Hα-helixtrans-59.7-43.9174.5-76.2171.5-175.6166.80111.3R256 N257 V258 H264 I334 Y336R256-K260 VanDerWaalsContact O-CG 3.32Å; R256-K260 WeakPolarHBondContact O-CG 3.13Å; R256-K260 PolarHBondContact O-N 3.3Å; R256-K260 VanDerWaalsContact O-N 3.1Å; N257-K260 WeakPolarHBondContact O-CB 3.4Å; N257-K260 PolarHBondContact O-N 3.05Å; V258-K260 PolarHBondContact O-N 3.16Å; K260-H264 PolarHBondContact O-ND1 3.35Å; K260-I334 HydrophobicContact CB-CG2 4.13Å; K260-Y336 PolarHBondContact NZ-OH 3.11Å
261I98.3Very high96.7Very high1 Ų161.4 Ų61.41%0.00529%0.294CS..Hα-helixtrans-66.7-48.4179.1-64.9152.8000110.4N257 V258 V259 K263 H264 V265 A289 A292 A293 F296 V330 I334N257-I261 WeakPolarHBondContact O-CD1 3.27Å; N257-I261 WeakPolarHBondContact O-CG1 3.29Å; N257-I261 PolarHBondContact O-N 2.79Å; V258-I261 PolarHBondContact O-N 3.35Å; V258-I261 VanDerWaalsContact O-N 3.14Å; V259-I261 VanDerWaalsContact C-N 3.33Å; V259-I261 PolarHBondContact O-N 3.2Å; I261-K263 PolarHBondContact O-N 3.08Å; I261-H264 PolarHBondContact O-N 3.08Å; I261-V265 HydrophobicContact CG2-CG2 4.11Å; I261-V265 PolarHBondContact O-N 3.42Å; I261-A289 HydrophobicContact CB-CB 4.01Å; I261-A289 WeakPolarHBondContact CD1-O 3.49Å; I261-A289 HydrophobicContact CG2-CB 3.71Å; I261-A292 HydrophobicContact CD1-CB 3.73Å; I261-A292 HydrophobicContact CG1-CB 4.48Å; I261-A292 HydrophobicContact CG2-CB 4.17Å; I261-A293 HydrophobicContact CD1-CB 3.98Å; I261-F296 HydrophobicContact CD1-CD2 4.32Å; I261-F296 HydrophobicContact CD1-CE2 3.89Å; I261-F296 HydrophobicContact CG1-CE2 4.08Å; I261-V330 HydrophobicContact CB-CG1 4.45Å; I261-V330 HydrophobicContact CG1-CG1 4.21Å; I261-V330 HydrophobicContact CG2-CG1 4.34Å; I261-I334 HydrophobicContact CG1-CD1 4.24Å
262Q98.1Very high96.5Very high70 Ų7064.4 Ų64.433%0.32733%0.326SS..Hα-helixtrans-54.5-38.5179-73.6175.5-18.500112.3V258 V259 H264 V265 A289V258-Q262 HydrophobicContact CG1-CG 4.28Å; V258-Q262 WeakPolarHBondContact O-CG 3.21Å; V258-Q262 PolarHBondContact O-N 3.13Å; V259-Q262 PolarHBondContact O-N 3.2Å; Q262-H264 PolarHBondContact O-N 3.06Å; Q262-V265 PolarHBondContact O-N 3.22Å; Q262-A289 HydrophobicContact CG-CB 3.48Å; Q262-A289 VanDerWaalsContact CG-CB 3.48Å
263K97.9Very high96.3Very high176 Ų17663.5 Ų63.577%0.76532%0.316SS*.Hα-helixtrans-62.3-26.5176.7-175.9174.5178.7-179.40113.8V259 I261V259-K263 PolarHBondContact O-N 3.18Å; I261-K263 PolarHBondContact O-N 3.08Å
264H98Very high96.1Very high58 Ų5861.6 Ų61.627%0.26931%0.307SS..THydrogen-bonded Turntrans-108.45.4-173.1-62.289.2000113.9K260 I261 Q262 V330 R333K260-H264 PolarHBondContact O-ND1 3.35Å; I261-H264 PolarHBondContact O-N 3.08Å; Q262-H264 PolarHBondContact O-N 3.06Å; H264-V330 HydrophobicContact CB-CG1 4.15Å; H264-V330 HydrophobicContact CB-CG2 4.4Å; H264-R333 PolarHBondContact O-NH1 3.39Å
265V97.4Very high95.8Very high25 Ų2564.2 Ų64.215%0.15233%0.333CS..  trans-121.5115.6176.5-179.70000108.5I261 Q262 Q269 V270 M326 V330I261-V265 HydrophobicContact CG2-CG2 4.11Å; I261-V265 PolarHBondContact O-N 3.42Å; Q262-V265 PolarHBondContact O-N 3.22Å; V265-Q269 HydrophobicContact CG1-CB 4.48Å; V265-V270 HydrophobicContact CG1-CG1 3.52Å; V265-M326 HydrophobicContact CB-SD 4.43Å; V265-M326 HydrophobicContact CG1-CG 4.44Å; V265-M326 HydrophobicContact CG1-SD 3.71Å; V265-M326 HydrophobicContact CG2-CE 4.45Å; V265-M326 HydrophobicContact CG2-CG 4.05Å; V265-M326 HydrophobicContact CG2-SD 3.85Å; V265-V330 HydrophobicContact CG2-CG2 3.54Å
266T97Very high95.5Very high77 Ų7758.7 Ų58.747%0.47231%0.312SS..  trans-85157178.867.70000111.2N268 Q269 V270T266-N268 VanDerWaalsContact C-N 3.28Å; T266-N268 PolarHBondContact O-N 3.01Å; T266-Q269 WeakPolarHBondContact O-CB 3.36Å; T266-Q269 PolarHBondContact O-N 3.21Å; T266-Q269 WeakPolarHBondContact OG1-CG 3.33Å; T266-Q269 PolarHBondContact OG1-N 3.39Å; T266-Q269 PolarHBondContact OG1-OE1 2.98Å; T266-Q269 VanDerWaalsContact OG1-OE1 3.06Å; T266-V270 PolarHBondContact O-N 3.33Å
267F96.4Very high95.4Very high71 Ų7155 Ų5531%0.31131%0.305SS..Hα-helixtrans-57.1-42.6175.4-178.4-142.7000112Q269 V270 K271 F276 D278 I285F267-Q269 PolarHBondContact O-N 2.96Å; F267-V270 HydrophobicContact CD2-CG2 3.74Å; F267-V270 HydrophobicContact CE2-CG2 4.44Å; F267-V270 WeakPolarHBondContact O-CG2 3.24Å; F267-V270 PolarHBondContact O-N 3.16Å; F267-V270 VanDerWaalsContact O-N 3.11Å; F267-K271 HydrophobicContact CD1-CD 4Å; F267-K271 HydrophobicContact CD1-CG 4.47Å; F267-K271 HydrophobicContact CD2-CD 4.28Å; F267-K271 HydrophobicContact CD2-CG 3.85Å; F267-K271 HydrophobicContact CE1-CD 3.7Å; F267-K271 HydrophobicContact CE1-CG 4.25Å; F267-K271 HydrophobicContact CE2-CD 3.96Å; F267-K271 HydrophobicContact CE2-CG 3.55Å; F267-K271 HydrophobicContact CG-CD 4.29Å; F267-K271 HydrophobicContact CG-CG 4.3Å; F267-K271 HydrophobicContact CZ-CD 3.67Å; F267-K271 HydrophobicContact CZ-CG 3.77Å; F267-K271 WeakPolarHBondContact O-CG 3.37Å; F267-K271 PolarHBondContact O-N 3.33Å; F267-F276 HydrophobicContact CE2-CB 4.34Å; F267-D278 WeakPolarHBondContact CE1-OD1 3.43Å; F267-D278 WeakPolarHBondContact CZ-OD1 3.34Å; F267-I285 HydrophobicContact CD2-CD1 4.17Å; F267-I285 HydrophobicContact CD2-CG1 4.3Å; F267-I285 HydrophobicContact CD2-CG2 3.6Å; F267-I285 HydrophobicContact CE2-CD1 3.59Å; F267-I285 HydrophobicContact CE2-CG1 3.82Å; F267-I285 HydrophobicContact CE2-CG2 4.02Å; F267-I285 HydrophobicContact CG-CG2 4.48Å; F267-I285 HydrophobicContact CZ-CD1 3.96Å
268N95.5Very high95.2Very high127 Ų12760.9 Ų60.968%0.67934%0.337SS*.Hα-helixtrans-56.9-35.1176.4-73.1-17.6000113.2T266 G272T266-N268 VanDerWaalsContact C-N 3.28Å; T266-N268 PolarHBondContact O-N 3.01Å; N268-G272 PolarHBondContact O-N 3.47Å; N268-G272 VanDerWaalsContact O-N 3.11Å
269Q94.5Very high95.1Very high68 Ų6866.1 Ų66.132%0.31837%0.373SS..Hα-helixtrans-67.8-47.1176.1-71.5169.9-6300111.4V265 T266 F267 K271 G272 I273V265-Q269 HydrophobicContact CG1-CB 4.48Å; T266-Q269 WeakPolarHBondContact O-CB 3.36Å; T266-Q269 PolarHBondContact O-N 3.21Å; T266-Q269 WeakPolarHBondContact OG1-CG 3.33Å; T266-Q269 PolarHBondContact OG1-N 3.39Å; T266-Q269 PolarHBondContact OG1-OE1 2.98Å; T266-Q269 VanDerWaalsContact OG1-OE1 3.06Å; F267-Q269 PolarHBondContact O-N 2.96Å; Q269-K271 VanDerWaalsContact C-N 3.32Å; Q269-K271 PolarHBondContact O-N 3.14Å; Q269-G272 PolarHBondContact O-N 3.49Å; Q269-G272 VanDerWaalsContact O-N 3.16Å; Q269-I273 HydrophobicContact CB-CD1 4.48Å; Q269-I273 WeakPolarHBondContact O-CB 3.43Å; Q269-I273 WeakPolarHBondContact O-CD1 3.3Å; Q269-I273 WeakPolarHBondContact O-CG1 3.36Å; Q269-I273 PolarHBondContact O-N 3.18Å
270V94.4Very high95Very high3 Ų365 Ų652%0.01837%0.365CS..Hα-helixtrans-69.6-29178.5-61.50000112.6V265 T266 F267 G272 F274 F276 I285 P288 M326V265-V270 HydrophobicContact CG1-CG1 3.52Å; T266-V270 PolarHBondContact O-N 3.33Å; F267-V270 HydrophobicContact CD2-CG2 3.74Å; F267-V270 HydrophobicContact CE2-CG2 4.44Å; F267-V270 WeakPolarHBondContact O-CG2 3.24Å; F267-V270 PolarHBondContact O-N 3.16Å; F267-V270 VanDerWaalsContact O-N 3.11Å; V270-G272 VanDerWaalsContact C-N 3.35Å; V270-F274 HydrophobicContact CB-CD2 3.93Å; V270-F274 HydrophobicContact CG1-CD2 4.14Å; V270-F274 HydrophobicContact CG1-CE2 4.23Å; V270-F274 WeakPolarHBondContact O-CA 3.47Å; V270-F274 WeakPolarHBondContact O-CB 3.35Å; V270-F274 PolarHBondContact O-N 2.92Å; V270-F276 HydrophobicContact CB-CD2 3.88Å; V270-F276 HydrophobicContact CB-CE2 4.25Å; V270-F276 HydrophobicContact CG2-CD2 3.95Å; V270-I285 HydrophobicContact CG2-CG2 4.1Å; V270-P288 HydrophobicContact CG1-CG 4.29Å; V270-M326 HydrophobicContact CG1-SD 4.4Å
271K92.5Very high95Very high67 Ų6764.6 Ų64.629%0.29137%0.37SS..Hα-helixtrans-60.4-44.8168.3-66-177.672.81620111.3F267 Q269 G275 F276 D278F267-K271 HydrophobicContact CD1-CD 4Å; F267-K271 HydrophobicContact CD1-CG 4.47Å; F267-K271 HydrophobicContact CD2-CD 4.28Å; F267-K271 HydrophobicContact CD2-CG 3.85Å; F267-K271 HydrophobicContact CE1-CD 3.7Å; F267-K271 HydrophobicContact CE1-CG 4.25Å; F267-K271 HydrophobicContact CE2-CD 3.96Å; F267-K271 HydrophobicContact CE2-CG 3.55Å; F267-K271 HydrophobicContact CG-CD 4.29Å; F267-K271 HydrophobicContact CG-CG 4.3Å; F267-K271 HydrophobicContact CZ-CD 3.67Å; F267-K271 HydrophobicContact CZ-CG 3.77Å; F267-K271 WeakPolarHBondContact O-CG 3.37Å; F267-K271 PolarHBondContact O-N 3.33Å; Q269-K271 VanDerWaalsContact C-N 3.32Å; Q269-K271 PolarHBondContact O-N 3.14Å; K271-G275 WeakPolarHBondContact O-CA 3.34Å; K271-G275 PolarHBondContact O-N 3.36Å; K271-F276 VanDerWaalsContact CG-O 3.32Å; K271-F276 WeakPolarHBondContact CG-O 3.42Å; K271-D278 IonicContact NZ-OD1 3.53Å; K271-D278 PolarHBondContact NZ-OD1 2.94Å; K271-D278 IonicContact NZ-OD2 2.93Å
272G91.1Very high94.9Very high69 Ų6971.5 Ų71.571%0.71141%0.406SS*.Hα-helixtrans-71.1-35.9179.300000114.2N268 Q269 V270N268-G272 PolarHBondContact O-N 3.47Å; N268-G272 VanDerWaalsContact O-N 3.11Å; Q269-G272 PolarHBondContact O-N 3.49Å; Q269-G272 VanDerWaalsContact O-N 3.16Å; V270-G272 VanDerWaalsContact C-N 3.35Å
273I89.5Confident94.9Very high66 Ų6669 Ų6934%0.33840%0.398SS..Hα-helixtrans-82.6-43.4-176.3-64165000111.5Q269 P322 M326Q269-I273 HydrophobicContact CB-CD1 4.48Å; Q269-I273 WeakPolarHBondContact O-CB 3.43Å; Q269-I273 WeakPolarHBondContact O-CD1 3.3Å; Q269-I273 WeakPolarHBondContact O-CG1 3.36Å; Q269-I273 PolarHBondContact O-N 3.18Å; I273-P322 HydrophobicContact CG2-CB 3.73Å; I273-M326 HydrophobicContact CD1-CB 4.09Å; I273-M326 HydrophobicContact CD1-CG 4.17Å
274F91.2Very high94.8Very high15 Ų1562.5 Ų62.57%0.06637%0.37CS..Hα-helixtrans-113.6-5.2-169.8-61-71.7000113.9P93 W94 V270 F276 P288 P322 Y323 M326P93-F274 HydrophobicContact CG-CD1 4.34Å; P93-F274 HydrophobicContact CG-CE1 4.36Å; W94-F274 HydrophobicContact CH2-CB 3.8Å; W94-F274 AromaticContact CH2-CD1 3.81Å; W94-F274 HydrophobicContact CH2-CD1 3.81Å; W94-F274 HydrophobicContact CH2-CG 4.15Å; W94-F274 HydrophobicContact CZ3-CB 3.96Å; W94-F274 HydrophobicContact CZ3-CD1 4.14Å; W94-F274 WeakPolarHBondContact CZ3-O 3.49Å; V270-F274 HydrophobicContact CB-CD2 3.93Å; V270-F274 HydrophobicContact CG1-CD2 4.14Å; V270-F274 HydrophobicContact CG1-CE2 4.23Å; V270-F274 WeakPolarHBondContact O-CA 3.47Å; V270-F274 WeakPolarHBondContact O-CB 3.35Å; V270-F274 PolarHBondContact O-N 2.92Å; F274-F276 VanDerWaalsContact C-N 3.3Å; F274-F276 HydrophobicContact CB-CD1 4.36Å; F274-F276 HydrophobicContact CB-CD2 3.98Å; F274-F276 HydrophobicContact CB-CE1 4.11Å; F274-F276 HydrophobicContact CB-CE2 3.73Å; F274-F276 HydrophobicContact CB-CG 4.28Å; F274-F276 HydrophobicContact CB-CZ 3.8Å; F274-F276 HydrophobicContact CD2-CE2 4.04Å; F274-F276 HydrophobicContact CG-CE2 4.06Å; F274-F276 HydrophobicContact CG-CZ 4.22Å; F274-F276 PolarHBondContact O-N 2.89Å; F274-P288 HydrophobicContact CD2-CG 3.93Å; F274-P288 HydrophobicContact CE2-CB 3.71Å; F274-P288 HydrophobicContact CE2-CG 3.57Å; F274-P288 HydrophobicContact CZ-CB 3.98Å; F274-P288 HydrophobicContact CZ-CG 4.05Å; F274-P322 HydrophobicContact CE1-CB 3.97Å; F274-Y323 HydrophobicContact CD1-CE1 4.36Å; F274-Y323 AromaticContact CE1-CD1 3.61Å; F274-Y323 HydrophobicContact CE1-CD1 3.61Å; F274-Y323 AromaticContact CE1-CD2 3.96Å; F274-Y323 HydrophobicContact CE1-CD2 3.96Å; F274-Y323 AromaticContact CE1-CE1 3.5Å; F274-Y323 HydrophobicContact CE1-CE1 3.5Å; F274-Y323 AromaticContact CE1-CE2 3.87Å; F274-Y323 HydrophobicContact CE1-CE2 3.87Å; F274-Y323 AromaticContact CE1-CG 3.83Å; F274-Y323 HydrophobicContact CE1-CG 3.83Å; F274-Y323 AromaticContact CE1-CZ 3.64Å; F274-Y323 AromaticContact CZ-CD1 3.44Å; F274-Y323 HydrophobicContact CZ-CD1 3.44Å; F274-Y323 VanDerWaalsContact CZ-CD1 3.44Å; F274-Y323 HydrophobicContact CZ-CD2 4.49Å; F274-Y323 AromaticContact CZ-CE1 3.64Å; F274-Y323 HydrophobicContact CZ-CE1 3.64Å; F274-Y323 AromaticContact CZ-CG 3.9Å; F274-Y323 HydrophobicContact CZ-CG 3.9Å; F274-M326 HydrophobicContact CE2-SD 4.17Å
275G91.8Very high94.8Very high54 Ų5461.6 Ų61.656%0.55737%0.367SS*.  trans72.819-179.600000114.5K271K271-G275 WeakPolarHBondContact O-CA 3.34Å; K271-G275 PolarHBondContact O-N 3.36Å
276F92.8Very high94.7Very high11 Ų1162.5 Ų62.55%0.04838%0.375CS..  trans-62151.8176.8-63.4-37.6000112.6W94 W210 F267 V270 K271 F274 K284 P288W94-F276 AromaticContact CH2-CE1 3.67Å; W94-F276 HydrophobicContact CH2-CE1 3.67Å; W94-F276 AromaticContact CH2-CZ 3.79Å; W94-F276 HydrophobicContact CH2-CZ 3.79Å; W94-F276 HydrophobicContact CZ2-CE1 4.07Å; W94-F276 HydrophobicContact CZ2-CZ 4.2Å; W210-F276 HydrophobicContact CH2-CZ 4.23Å; W210-F276 AromaticContact CZ2-CE1 3.79Å; W210-F276 HydrophobicContact CZ2-CE1 3.79Å; W210-F276 AromaticContact CZ2-CZ 3.81Å; W210-F276 HydrophobicContact CZ2-CZ 3.81Å; F267-F276 HydrophobicContact CE2-CB 4.34Å; V270-F276 HydrophobicContact CB-CD2 3.88Å; V270-F276 HydrophobicContact CB-CE2 4.25Å; V270-F276 HydrophobicContact CG2-CD2 3.95Å; K271-F276 VanDerWaalsContact CG-O 3.32Å; K271-F276 WeakPolarHBondContact CG-O 3.42Å; F274-F276 VanDerWaalsContact C-N 3.3Å; F274-F276 HydrophobicContact CB-CD1 4.36Å; F274-F276 HydrophobicContact CB-CD2 3.98Å; F274-F276 HydrophobicContact CB-CE1 4.11Å; F274-F276 HydrophobicContact CB-CE2 3.73Å; F274-F276 HydrophobicContact CB-CG 4.28Å; F274-F276 HydrophobicContact CB-CZ 3.8Å; F274-F276 HydrophobicContact CD2-CE2 4.04Å; F274-F276 HydrophobicContact CG-CE2 4.06Å; F274-F276 HydrophobicContact CG-CZ 4.22Å; F274-F276 PolarHBondContact O-N 2.89Å; F276-K284 WeakPolarHBondContact CE2-O 3.44Å; F276-K284 WeakPolarHBondContact CZ-O 3.35Å; F276-P288 HydrophobicContact CE2-CG 4.04Å
277T94.4Very high94.8Very high61 Ų6158.9 Ų58.937%0.37435%0.352SS..  trans-117.6164.5-178.865.80000111S279 D280T277-S279 PolarHBondContact O-N 3.11Å; T277-S279 VanDerWaalsContact O-N 3.14Å; T277-S279 PolarHBondContact OG1-OG 3.3Å; T277-D280 PolarHBondContact N-OD2 2.97Å; T277-D280 PolarHBondContact O-N 3.35Å; T277-D280 VanDerWaalsContact O-N 3.08Å; T277-D280 PolarHBondContact OG1-OD2 2.9Å
278D94.2Very high94.9Very high124 Ų12455.6 Ų55.666%0.66334%0.338SS*.THydrogen-bonded Turntrans-67.8-13.1178.3-52.2-21000112.1F267 K271F267-D278 WeakPolarHBondContact CE1-OD1 3.43Å; F267-D278 WeakPolarHBondContact CZ-OD1 3.34Å; K271-D278 IonicContact NZ-OD1 3.53Å; K271-D278 PolarHBondContact NZ-OD1 2.94Å; K271-D278 IonicContact NZ-OD2 2.93Å
279S95.9Very high95Very high112 Ų11249.8 Ų49.878%0.78331%0.308SS*.THydrogen-bonded Turntrans-86.9-11.3173.944.30000114.6T277T277-S279 PolarHBondContact O-N 3.11Å; T277-S279 VanDerWaalsContact O-N 3.14Å; T277-S279 PolarHBondContact OG1-OG 3.3Å
280D95.9Very high95.2Very high40 Ų4047.5 Ų47.521%0.21430%0.298CS..SBendtrans-72145.6177.2-74.4-66.2000111.3T277 K284 I285T277-D280 PolarHBondContact N-OD2 2.97Å; T277-D280 PolarHBondContact O-N 3.35Å; T277-D280 VanDerWaalsContact O-N 3.08Å; T277-D280 PolarHBondContact OG1-OD2 2.9Å; D280-K284 HydrophobicContact CB-CD 4.41Å; D280-K284 IonicContact OD1-NZ 2.85Å; D280-I285 HydrophobicContact CB-CG1 4.42Å
281C97.3Very high95.4Very high61 Ų6147.9 Ų47.941%0.41230%0.299SS..  trans-67.6150.5179.271.30000111.3G283 K284 I285C281-G283 PolarHBondContact O-N 3.14Å; C281-K284 PolarHBondContact O-N 3.19Å; C281-I285 PolarHBondContact O-N 3.34Å
282I97.6Very high95.7Very high146 Ų14644.7 Ų44.775%0.74929%0.285SS*.Hα-helixtrans-58.3-25.7-178.761.3174.2000113.5S286I282-S286 WeakPolarHBondContact O-CB 3.4Å; I282-S286 PolarHBondContact O-N 3.15Å; I282-S286 VanDerWaalsContact O-N 3.12Å; I282-S286 PolarHBondContact O-OG 3.2Å
283G97.2Very high96Very high17 Ų1741.4 Ų41.418%0.17525%0.251CS..Hα-helixtrans-63.7-49.2173.900000111.7C281 I285 S286 F287C281-G283 PolarHBondContact O-N 3.14Å; G283-I285 VanDerWaalsContact C-N 3.32Å; G283-I285 PolarHBondContact O-N 3.33Å; G283-S286 PolarHBondContact O-N 3.3Å; G283-S286 PolarHBondContact O-OG 3.43Å; G283-F287 WeakPolarHBondContact O-CB 3.49Å; G283-F287 PolarHBondContact O-N 3.31Å
284K96.6Very high96.4Very high41 Ų4138.2 Ų38.218%0.17824%0.235CC..Hα-helixtrans-59.7-43176-72.2179.9177.5-177.80112.3L209 W210 F276 D280 C281 S286 F287 P288L209-K284 HydrophobicContact CB-CG 4.41Å; L209-K284 WeakPolarHBondContact O-CE 3.24Å; W210-K284 HydrophobicContact CD2-CD 4.28Å; W210-K284 HydrophobicContact CD2-CG 3.93Å; W210-K284 HydrophobicContact CE3-CG 3.85Å; W210-K284 HydrophobicContact CH2-CB 3.8Å; W210-K284 HydrophobicContact CH2-CG 3.79Å; W210-K284 HydrophobicContact CZ2-CB 3.93Å; W210-K284 HydrophobicContact CZ2-CD 4.29Å; W210-K284 HydrophobicContact CZ2-CG 3.8Å; W210-K284 HydrophobicContact CZ3-CB 4.21Å; W210-K284 HydrophobicContact CZ3-CG 3.81Å; F276-K284 WeakPolarHBondContact CE2-O 3.44Å; F276-K284 WeakPolarHBondContact CZ-O 3.35Å; D280-K284 HydrophobicContact CB-CD 4.41Å; D280-K284 IonicContact OD1-NZ 2.85Å; C281-K284 PolarHBondContact O-N 3.19Å; K284-S286 VanDerWaalsContact C-N 3.28Å; K284-S286 PolarHBondContact O-N 2.83Å; K284-F287 PolarHBondContact O-N 3.1Å; K284-P288 WeakPolarHBondContact O-CD 3.33Å
285I96.8Very high96.8Very high39 Ų3937.6 Ų37.620%0.223%0.233CC..Hα-helixtrans-62.5-37-178.3-65.3171.6000111.5F267 V270 D280 C281 G283F267-I285 HydrophobicContact CD2-CD1 4.17Å; F267-I285 HydrophobicContact CD2-CG1 4.3Å; F267-I285 HydrophobicContact CD2-CG2 3.6Å; F267-I285 HydrophobicContact CE2-CD1 3.59Å; F267-I285 HydrophobicContact CE2-CG1 3.82Å; F267-I285 HydrophobicContact CE2-CG2 4.02Å; F267-I285 HydrophobicContact CG-CG2 4.48Å; F267-I285 HydrophobicContact CZ-CD1 3.96Å; V270-I285 HydrophobicContact CG2-CG2 4.1Å; D280-I285 HydrophobicContact CB-CG1 4.42Å; C281-I285 PolarHBondContact O-N 3.34Å; G283-I285 VanDerWaalsContact C-N 3.32Å; G283-I285 PolarHBondContact O-N 3.33Å
286S97.1Very high97.1Very high44 Ų4435.3 Ų35.331%0.30821%0.207SC..Hα-helixtrans-95.4-14.9-175.861.40000114.5I282 G283 K284 A289I282-S286 WeakPolarHBondContact O-CB 3.4Å; I282-S286 PolarHBondContact O-N 3.15Å; I282-S286 VanDerWaalsContact O-N 3.12Å; I282-S286 PolarHBondContact O-OG 3.2Å; G283-S286 PolarHBondContact O-N 3.3Å; G283-S286 PolarHBondContact O-OG 3.43Å; K284-S286 VanDerWaalsContact C-N 3.28Å; K284-S286 PolarHBondContact O-N 2.83Å; S286-A289 WeakPolarHBondContact O-CB 3.42Å; S286-A289 PolarHBondContact O-N 3.47Å; S286-A289 VanDerWaalsContact O-N 3.14Å
287F98.3Very high97.2Very high0 Ų034.8 Ų34.80%021%0.205CC..THydrogen-bonded Turntrans-53.8-37.3178.5175.2-99.3000115.1T203 E206 L209 W210 G283 K284 A289 I290 Q291 Y323T203-F287 HydrophobicContact CG2-CE2 4.33Å; T203-F287 HydrophobicContact CG2-CZ 3.88Å; E206-F287 HydrophobicContact CB-CD2 4.06Å; E206-F287 HydrophobicContact CB-CE1 4.06Å; E206-F287 HydrophobicContact CB-CE2 3.47Å; E206-F287 VanDerWaalsContact CB-CE2 3.47Å; E206-F287 HydrophobicContact CB-CZ 3.47Å; E206-F287 VanDerWaalsContact CB-CZ 3.47Å; E206-F287 HydrophobicContact CG-CD1 4.1Å; E206-F287 HydrophobicContact CG-CD2 4.42Å; E206-F287 HydrophobicContact CG-CE1 3.61Å; E206-F287 HydrophobicContact CG-CE2 3.99Å; E206-F287 HydrophobicContact CG-CG 4.49Å; E206-F287 HydrophobicContact CG-CZ 3.56Å; L209-F287 HydrophobicContact CD1-CB 4.44Å; W210-F287 HydrophobicContact CH2-CB 3.84Å; W210-F287 AromaticContact CH2-CD1 3.76Å; W210-F287 HydrophobicContact CH2-CD1 3.76Å; W210-F287 AromaticContact CH2-CG 3.97Å; W210-F287 HydrophobicContact CH2-CG 3.97Å; W210-F287 HydrophobicContact CZ3-CB 3.85Å; W210-F287 AromaticContact CZ3-CD1 3.88Å; W210-F287 HydrophobicContact CZ3-CD1 3.88Å; W210-F287 HydrophobicContact CZ3-CD2 4.5Å; W210-F287 AromaticContact CZ3-CG 3.79Å; W210-F287 HydrophobicContact CZ3-CG 3.79Å; G283-F287 WeakPolarHBondContact O-CB 3.49Å; G283-F287 PolarHBondContact O-N 3.31Å; K284-F287 PolarHBondContact O-N 3.1Å; F287-A289 PolarHBondContact O-N 2.65Å; F287-I290 HydrophobicContact CD2-CB 4.18Å; F287-I290 HydrophobicContact CD2-CD1 4.22Å; F287-I290 HydrophobicContact CE2-CB 4.28Å; F287-I290 HydrophobicContact CE2-CG2 4.4Å; F287-I290 WeakPolarHBondContact O-CA 3.42Å; F287-I290 WeakPolarHBondContact O-CB 3.39Å; F287-I290 PolarHBondContact O-N 2.92Å; F287-Q291 HydrophobicContact CE1-CB 4.22Å; F287-Q291 HydrophobicContact CZ-CB 4.19Å; F287-Q291 PolarHBondContact O-N 3.32Å; F287-Y323 HydrophobicContact CD1-CE1 4.24Å; F287-Y323 HydrophobicContact CE1-CE1 4.15Å
288P98.3Very high97.3Very high2 Ų232.2 Ų32.21%0.01319%0.189CC..Hα-helixtrans-53.5-26.6177.2-2935.9000114.4V270 F274 F276 K284 A292 Y323 M326V270-P288 HydrophobicContact CG1-CG 4.29Å; F274-P288 HydrophobicContact CD2-CG 3.93Å; F274-P288 HydrophobicContact CE2-CB 3.71Å; F274-P288 HydrophobicContact CE2-CG 3.57Å; F274-P288 HydrophobicContact CZ-CB 3.98Å; F274-P288 HydrophobicContact CZ-CG 4.05Å; F276-P288 HydrophobicContact CE2-CG 4.04Å; K284-P288 WeakPolarHBondContact O-CD 3.33Å; P288-A292 VanDerWaalsContact O-CB 3.3Å; P288-A292 WeakPolarHBondContact O-CB 3.33Å; P288-A292 PolarHBondContact O-N 2.9Å; P288-A292 VanDerWaalsContact O-N 3.1Å; P288-Y323 HydrophobicContact CB-CD1 4.04Å; P288-Y323 HydrophobicContact CB-CE1 4.05Å; P288-Y323 HydrophobicContact CG-CE1 4.12Å; P288-M326 HydrophobicContact CB-CE 3.64Å; P288-M326 HydrophobicContact CB-SD 3.95Å; P288-M326 WeakPolarHBondContact O-CE 3.37Å
289A98.3Very high97.5Very high6 Ų626.3 Ų26.35%0.0516%0.157CC..Hα-helixtrans-71-31.6174.400000113.4V258 I261 Q262 S286 F287 A292 A293V258-A289 HydrophobicContact CG1-CB 4.13Å; I261-A289 HydrophobicContact CB-CB 4.01Å; I261-A289 WeakPolarHBondContact CD1-O 3.49Å; I261-A289 HydrophobicContact CG2-CB 3.71Å; Q262-A289 HydrophobicContact CG-CB 3.48Å; Q262-A289 VanDerWaalsContact CG-CB 3.48Å; S286-A289 WeakPolarHBondContact O-CB 3.42Å; S286-A289 PolarHBondContact O-N 3.47Å; S286-A289 VanDerWaalsContact O-N 3.14Å; F287-A289 PolarHBondContact O-N 2.65Å; A289-A292 PolarHBondContact O-N 2.98Å; A289-A293 PolarHBondContact O-N 3.22Å; A289-A293 VanDerWaalsContact O-N 3.08Å
290I98.3Very high97.5Very high20 Ų2021 Ų2110%0.10312%0.12CC..Hα-helixtrans-69.3-44.5177.6-57.4178.6000109.7Q201 D205 D244 M248 F254 V258 F287 A292 A293 P294Q201-I290 PolarHBondContact NE2-O 3.41Å; D205-I290 VanDerWaalsContact OD2-CD1 3.32Å; D205-I290 WeakPolarHBondContact OD2-CD1 3.12Å; D244-I290 HydrophobicContact CB-CG2 4.46Å; M248-I290 HydrophobicContact CE-CD1 4.06Å; M248-I290 HydrophobicContact CE-CG1 4.08Å; M248-I290 HydrophobicContact CE-CG2 4.01Å; F254-I290 HydrophobicContact CE1-CG2 4.33Å; V258-I290 HydrophobicContact CG1-CG1 4.18Å; V258-I290 HydrophobicContact CG2-CG1 4.44Å; F287-I290 HydrophobicContact CD2-CB 4.18Å; F287-I290 HydrophobicContact CD2-CD1 4.22Å; F287-I290 HydrophobicContact CE2-CB 4.28Å; F287-I290 HydrophobicContact CE2-CG2 4.4Å; F287-I290 WeakPolarHBondContact O-CA 3.42Å; F287-I290 WeakPolarHBondContact O-CB 3.39Å; F287-I290 PolarHBondContact O-N 2.92Å; I290-A292 VanDerWaalsContact C-N 3.3Å; I290-A292 PolarHBondContact O-N 3.09Å; I290-A293 PolarHBondContact O-N 2.9Å; I290-P294 WeakPolarHBondContact O-CD 3.36Å
291Q98.3Very high97.5Very high10 Ų1021.5 Ų21.55%0.04713%0.126CC..Hα-helixtrans-70.3-25.5175.2-169.1169.3-21.600113.2Y166 F287 P294 Y323 F324Y166-Q291 PolarHBondContact OH-O 2.81Å; Y166-Q291 VanDerWaalsContact OH-O 3.06Å; F287-Q291 HydrophobicContact CE1-CB 4.22Å; F287-Q291 HydrophobicContact CZ-CB 4.19Å; F287-Q291 PolarHBondContact O-N 3.32Å; Q291-P294 WeakPolarHBondContact O-CD 3.22Å; Q291-Y323 HydrophobicContact CB-CD1 4.14Å; Q291-Y323 HydrophobicContact CB-CE1 4.47Å; Q291-Y323 HydrophobicContact CG-CD1 4.32Å; Q291-Y323 HydrophobicContact CG-CG 4.3Å; Q291-Y323 VanDerWaalsContact NE2-CD2 3.34Å; Q291-F324 HydrophobicContact CG-CE1 4.48Å; Q291-F324 HydrophobicContact CG-CZ 4.34Å
292A98.3Very high97.3Very high0 Ų020.5 Ų20.50%012%0.115CC..Hα-helixtrans-75.5-34.9175.200000113.2I261 P288 A289 I290 S295 M326 T327I261-A292 HydrophobicContact CD1-CB 3.73Å; I261-A292 HydrophobicContact CG1-CB 4.48Å; I261-A292 HydrophobicContact CG2-CB 4.17Å; P288-A292 VanDerWaalsContact O-CB 3.3Å; P288-A292 WeakPolarHBondContact O-CB 3.33Å; P288-A292 PolarHBondContact O-N 2.9Å; P288-A292 VanDerWaalsContact O-N 3.1Å; A289-A292 PolarHBondContact O-N 2.98Å; I290-A292 VanDerWaalsContact C-N 3.3Å; I290-A292 PolarHBondContact O-N 3.09Å; A292-S295 WeakPolarHBondContact O-CB 3.48Å; A292-S295 PolarHBondContact O-N 2.98Å; A292-S295 PolarHBondContact O-OG 3.31Å; A292-S295 VanDerWaalsContact O-OG 3.05Å; A292-M326 HydrophobicContact CB-CE 4.2Å; A292-T327 HydrophobicContact CB-CG2 3.97Å; A292-T327 WeakPolarHBondContact CB-OG1 3.34Å
293A98.3Very high97.1Very high0 Ų014.2 Ų14.20%08%0.084CC..G310 helixtrans-58.4-38.2-172.600000115.6F254 N257 V258 I261 A289 I290 S295 F296 S299F254-A293 HydrophobicContact CE1-CB 4.5Å; F254-A293 HydrophobicContact CE2-CB 4.25Å; F254-A293 HydrophobicContact CZ-CB 4.17Å; N257-A293 HydrophobicContact CB-CB 4.36Å; V258-A293 HydrophobicContact CG2-CB 3.71Å; I261-A293 HydrophobicContact CD1-CB 3.98Å; A289-A293 PolarHBondContact O-N 3.22Å; A289-A293 VanDerWaalsContact O-N 3.08Å; I290-A293 PolarHBondContact O-N 2.9Å; A293-S295 PolarHBondContact O-N 3.36Å; A293-S295 VanDerWaalsContact O-N 3.1Å; A293-F296 PolarHBondContact O-N 3.2Å; A293-S299 PolarHBondContact O-OG 3.19Å
294P98.4Very high96.9Very high0 Ų013.8 Ų13.80%08%0.077CC..G310 helixtrans-61.5-15174.8-24.532.2000114.7Y164 Y166 F242 F254 I290 Q291 F296 F300Y164-P294 PolarHBondContact OH-O 3.17Å; Y166-P294 HydrophobicContact CD1-CB 3.9Å; Y166-P294 HydrophobicContact CD2-CB 3.74Å; Y166-P294 HydrophobicContact CE1-CB 3.68Å; Y166-P294 HydrophobicContact CE1-CG 4.28Å; Y166-P294 HydrophobicContact CE2-CB 3.51Å; Y166-P294 HydrophobicContact CE2-CG 3.95Å; Y166-P294 HydrophobicContact CG-CB 3.97Å; F242-P294 HydrophobicContact CZ-CB 4.31Å; F242-P294 HydrophobicContact CZ-CG 3.9Å; F254-P294 HydrophobicContact CE2-CG 3.91Å; F254-P294 HydrophobicContact CZ-CG 4.15Å; I290-P294 WeakPolarHBondContact O-CD 3.36Å; Q291-P294 WeakPolarHBondContact O-CD 3.22Å; P294-F296 PolarHBondContact O-N 3.36Å; P294-F300 HydrophobicContact CB-CE2 4.15Å; P294-F300 HydrophobicContact CB-CZ 3.85Å
295S98.3Very high96.6Very high2 Ų213.5 Ų13.51%0.0149%0.086CC..G310 helixtrans-70-8.2176.5-54.60000113.6Y164 A292 A293 C312Y164-S295 PolarHBondContact OH-O 2.96Å; Y164-S295 VanDerWaalsContact OH-O 3.14Å; A292-S295 WeakPolarHBondContact O-CB 3.48Å; A292-S295 PolarHBondContact O-N 2.98Å; A292-S295 PolarHBondContact O-OG 3.31Å; A292-S295 VanDerWaalsContact O-OG 3.05Å; A293-S295 PolarHBondContact O-N 3.36Å; A293-S295 VanDerWaalsContact O-N 3.1Å; S295-C312 WeakPolarHBondContact O-CB 3.32Å
296F98Very high96.4Very high5 Ų516.8 Ų16.82%0.02211%0.112CC..SBendtrans-118.1125.2-178-52.2-56.6000111.3Y164 I261 A293 P294 N298 S299 T327 A331 I334 Y336Y164-F296 VanDerWaalsContact OH-C 3.32Å; Y164-F296 PolarHBondContact OH-N 3.06Å; Y164-F296 VanDerWaalsContact OH-N 3.14Å; I261-F296 HydrophobicContact CD1-CD2 4.32Å; I261-F296 HydrophobicContact CD1-CE2 3.89Å; I261-F296 HydrophobicContact CG1-CE2 4.08Å; A293-F296 PolarHBondContact O-N 3.2Å; P294-F296 PolarHBondContact O-N 3.36Å; F296-N298 VanDerWaalsContact C-N 3.31Å; F296-N298 PolarHBondContact O-N 2.85Å; F296-S299 WeakPolarHBondContact O-CB 3.42Å; F296-S299 PolarHBondContact O-N 3.04Å; F296-S299 PolarHBondContact O-OG 2.83Å; F296-S299 VanDerWaalsContact O-OG 3.13Å; F296-T327 HydrophobicContact CE2-CG2 4.18Å; F296-T327 HydrophobicContact CZ-CG2 3.75Å; F296-A331 HydrophobicContact CE1-CB 3.73Å; F296-A331 HydrophobicContact CZ-CB 3.95Å; F296-I334 HydrophobicContact CD2-CD1 4.3Å; F296-I334 HydrophobicContact CE2-CD1 3.72Å; F296-I334 HydrophobicContact CZ-CD1 3.89Å; F296-Y336 HydrophobicContact CB-CD2 3.85Å; F296-Y336 HydrophobicContact CB-CE2 4.04Å; F296-Y336 HydrophobicContact CB-CG 4.45Å; F296-Y336 VanDerWaalsContact CD1-CB 3.45Å; F296-Y336 AromaticContact CD1-CD2 3.38Å; F296-Y336 HydrophobicContact CD1-CD2 3.38Å; F296-Y336 HydrophobicContact CD1-CE2 4.35Å; F296-Y336 AromaticContact CD1-CG 3.72Å; F296-Y336 HydrophobicContact CD1-CG 3.72Å; F296-Y336 AromaticContact CD2-CD2 3.74Å; F296-Y336 HydrophobicContact CD2-CD2 3.74Å; F296-Y336 HydrophobicContact CD2-CE2 4.1Å; F296-Y336 AromaticContact CE1-CD2 3.78Å; F296-Y336 HydrophobicContact CE1-CD2 3.78Å; F296-Y336 HydrophobicContact CE1-CG 4.15Å; F296-Y336 HydrophobicContact CE2-CD2 4.11Å; F296-Y336 AromaticContact CG-CD2 3.35Å; F296-Y336 HydrophobicContact CG-CD2 3.35Å; F296-Y336 AromaticContact CG-CE2 3.89Å; F296-Y336 HydrophobicContact CG-CE2 3.89Å; F296-Y336 HydrophobicContact CG-CG 4.09Å; F296-Y336 HydrophobicContact CZ-CD2 4.13Å
297S96.4Very high96.1Very high1 Ų119.6 Ų19.61%0.00712%0.116CC..G310 helixtrans-58-37.8-171.955.10000114.2Y164 S299 F300 F304 R307Y164-S297 PolarHBondContact OH-N 3.48Å; S297-S299 PolarHBondContact O-N 3.41Å; S297-F300 PolarHBondContact O-N 2.89Å; S297-F304 VanDerWaalsContact O-CD2 3.28Å; S297-F304 WeakPolarHBondContact O-CD2 3.43Å; S297-R307 PolarHBondContact OG-O 3.01Å
298N95.7Very high95.8Very high6 Ų624.6 Ų24.63%0.03214%0.137CC..G310 helixtrans-68.8-7.7-179.177.7-62.2000113.4E253 N257 F296 F300 R307 K308 Y336E253-N298 VanDerWaalsContact CB-O 3.22Å; E253-N298 WeakPolarHBondContact CB-O 3.45Å; N257-N298 VanDerWaalsContact ND2-CG 3.31Å; N257-N298 PolarHBondContact ND2-ND2 3.39Å; N257-N298 PolarHBondContact ND2-OD1 3.12Å; N257-N298 PolarHBondContact OD1-ND2 2.93Å; F296-N298 VanDerWaalsContact C-N 3.31Å; F296-N298 PolarHBondContact O-N 2.85Å; N298-F300 PolarHBondContact O-N 2.92Å; N298-R307 PolarHBondContact N-O 2.88Å; N298-K308 HydrophobicContact CB-CG 4.06Å; N298-Y336 PolarHBondContact ND2-OH 2.93Å; N298-Y336 VanDerWaalsContact ND2-OH 3.17Å; N298-Y336 PolarHBondContact OD1-OH 3.23Å
299S97.6Very high95.5Very high0 Ų029 Ų290%016%0.161CC..G310 helixtrans-63-22.8167.2-64.80000112.1Y247 S251 N257 A293 F296 S297 P301Y247-S299 PolarHBondContact OH-O 3.48Å; Y247-S299 VanDerWaalsContact OH-O 3.05Å; S251-S299 PolarHBondContact OG-O 2.92Å; N257-S299 PolarHBondContact ND2-N 3.06Å; N257-S299 PolarHBondContact ND2-OG 3.16Å; A293-S299 PolarHBondContact O-OG 3.19Å; F296-S299 WeakPolarHBondContact O-CB 3.42Å; F296-S299 PolarHBondContact O-N 3.04Å; F296-S299 PolarHBondContact O-OG 2.83Å; F296-S299 VanDerWaalsContact O-OG 3.13Å; S297-S299 PolarHBondContact O-N 3.41Å; S299-P301 VanDerWaalsContact C-CD 3.44Å; S299-P301 VanDerWaalsContact O-CD 3.27Å; S299-P301 WeakPolarHBondContact O-CD 3.36Å
300F97Very high95.3Very high0 Ų029 Ų290%016%0.16CC..  trans-119.171.3-179.8-48.6-77.2000111.1V199 F240 F242 Y247 F254 P294 S297 N298 H302 V303 F304V199-F300 HydrophobicContact CB-CE1 4.46Å; V199-F300 HydrophobicContact CB-CE2 4.21Å; V199-F300 HydrophobicContact CB-CZ 4.08Å; V199-F300 HydrophobicContact CG1-CD1 4.38Å; V199-F300 HydrophobicContact CG1-CD2 4.07Å; V199-F300 HydrophobicContact CG1-CE1 4.38Å; V199-F300 HydrophobicContact CG1-CE2 4.06Å; V199-F300 HydrophobicContact CG1-CG 4.23Å; V199-F300 HydrophobicContact CG1-CZ 4.21Å; V199-F300 HydrophobicContact CG2-CE2 3.78Å; V199-F300 HydrophobicContact CG2-CZ 3.93Å; F240-F300 AromaticContact CD1-CD1 4Å; F240-F300 HydrophobicContact CD1-CD1 4Å; F240-F300 HydrophobicContact CD1-CE1 4.23Å; F240-F300 AromaticContact CE1-CD1 3.81Å; F240-F300 HydrophobicContact CE1-CD1 3.81Å; F240-F300 HydrophobicContact CE1-CE1 4Å; F242-F300 AromaticContact CD1-CE1 3.95Å; F242-F300 HydrophobicContact CD1-CE1 3.95Å; F242-F300 HydrophobicContact CD1-CZ 4.5Å; F242-F300 AromaticContact CE1-CE1 3.52Å; F242-F300 HydrophobicContact CE1-CE1 3.52Å; F242-F300 AromaticContact CE1-CZ 3.64Å; F242-F300 HydrophobicContact CE1-CZ 3.64Å; F242-F300 HydrophobicContact CE2-CE1 4.49Å; F242-F300 AromaticContact CZ-CE1 3.82Å; F242-F300 HydrophobicContact CZ-CE1 3.82Å; F242-F300 AromaticContact CZ-CZ 3.8Å; F242-F300 HydrophobicContact CZ-CZ 3.8Å; Y247-F300 HydrophobicContact CD1-CE1 4.32Å; Y247-F300 AromaticContact CE1-CD1 3.66Å; Y247-F300 HydrophobicContact CE1-CD1 3.66Å; Y247-F300 AromaticContact CE1-CE1 3.65Å; Y247-F300 HydrophobicContact CE1-CE1 3.65Å; Y247-F300 AromaticContact CZ-CD1 3.79Å; F254-F300 HydrophobicContact CD2-CE1 4.46Å; F254-F300 HydrophobicContact CE2-CE1 4.49Å; F254-F300 HydrophobicContact CE2-CZ 4.4Å; P294-F300 HydrophobicContact CB-CE2 4.15Å; P294-F300 HydrophobicContact CB-CZ 3.85Å; S297-F300 PolarHBondContact O-N 2.89Å; N298-F300 PolarHBondContact O-N 2.92Å; F300-H302 PolarHBondContact O-N 3.24Å; F300-H302 VanDerWaalsContact O-N 3.16Å; F300-V303 HydrophobicContact CB-CB 4.18Å; F300-V303 HydrophobicContact CB-CG2 4.09Å; F300-V303 PolarHBondContact O-N 2.91Å; F300-F304 HydrophobicContact CB-CD2 3.93Å; F300-F304 HydrophobicContact CB-CE2 4.2Å; F300-F304 HydrophobicContact CD2-CD2 4.39Å; F300-F304 HydrophobicContact CD2-CE2 4.16Å; F300-F304 PolarHBondContact O-N 3.41Å
301P95.3Very high95.1Very high51 Ų5129 Ų2933%0.33116%0.16SC..Hα-helixtrans-63.8-25.1-174.825.6-35.3000113.4E253 S299 V303 G305E253-P301 HydrophobicContact CB-CG 4.23Å; E253-P301 HydrophobicContact CG-CB 4.37Å; E253-P301 HydrophobicContact CG-CG 4.07Å; S299-P301 VanDerWaalsContact C-CD 3.44Å; S299-P301 VanDerWaalsContact O-CD 3.27Å; S299-P301 WeakPolarHBondContact O-CD 3.36Å; P301-V303 VanDerWaalsContact C-N 3.28Å; P301-V303 PolarHBondContact O-N 3.39Å; P301-G305 WeakPolarHBondContact CA-O 3.41Å; P301-G305 WeakPolarHBondContact O-CA 2.95Å; P301-G305 PolarHBondContact O-N 2.97Å
302H93.4Very high95.1Very high41 Ų4128.7 Ų28.719%0.1916%0.158CC..Hα-helixtrans-72.5-20175.661.9-85.8000113.3F240 Y247 F300 P470 R471 P472F240-H302 AromaticContact CD1-NE2 3.65Å; F240-H302 AromaticContact CE1-CE1 3.61Å; F240-H302 AromaticContact CE1-NE2 3.6Å; F240-H302 AromaticContact CE2-NE2 3.96Å; F240-H302 AromaticContact CG-NE2 3.85Å; F240-H302 AromaticContact CZ-CE1 3.83Å; F240-H302 AromaticContact CZ-NE2 3.76Å; Y247-H302 AromaticContact CE2-CE1 3.71Å; Y247-H302 AromaticContact CZ-CE1 3.67Å; Y247-H302 PolarHBondContact OH-CE1 2.98Å; Y247-H302 PolarHBondContact OH-ND1 3.48Å; F300-H302 PolarHBondContact O-N 3.24Å; F300-H302 VanDerWaalsContact O-N 3.16Å; H302-P470 HydrophobicContact CB-CB 4.49Å; H302-R471 PolarHBondContact CD2-N 3.4Å; H302-R471 PolarHBondContact CD2-O 3.2Å; H302-P472 WeakPolarHBondContact O-CA 3.31Å
303V93.2Very high95.1Very high14 Ų1428.7 Ų28.79%0.08516%0.158CC..Hα-helixtrans-98.5-48.2175.7-173.80000110.8F300 P301 L473 F475F300-V303 HydrophobicContact CB-CB 4.18Å; F300-V303 HydrophobicContact CB-CG2 4.09Å; F300-V303 PolarHBondContact O-N 2.91Å; P301-V303 VanDerWaalsContact C-N 3.28Å; P301-V303 PolarHBondContact O-N 3.39Å; V303-L473 HydrophobicContact CG1-CB 4.21Å; V303-L473 HydrophobicContact CG1-CD1 3.73Å; V303-L473 HydrophobicContact CG1-CG 4Å; V303-L473 HydrophobicContact CG2-CD1 4.01Å; V303-L473 HydrophobicContact CG2-CG 4.09Å; V303-F475 HydrophobicContact CG1-CE1 3.64Å; V303-F475 HydrophobicContact CG1-CZ 3.99Å
304F93.8Very high95.1Very high7 Ų728.8 Ų28.83%0.03116%0.159CC..Hα-helixtrans-114.52-167.1-56-63.7000114.2Y164 P197 S297 F300 S306 R307 I310 F475Y164-F304 HydrophobicContact CD1-CE1 4.47Å; Y164-F304 HydrophobicContact CD1-CE2 4.35Å; Y164-F304 AromaticContact CD1-CZ 3.99Å; Y164-F304 HydrophobicContact CD1-CZ 3.99Å; Y164-F304 HydrophobicContact CD2-CE2 4.09Å; Y164-F304 AromaticContact CD2-CZ 3.88Å; Y164-F304 HydrophobicContact CD2-CZ 3.88Å; Y164-F304 HydrophobicContact CE2-CE2 4.36Å; Y164-F304 HydrophobicContact CG-CE1 4.28Å; Y164-F304 HydrophobicContact CG-CE2 4.08Å; Y164-F304 AromaticContact CG-CZ 3.54Å; Y164-F304 HydrophobicContact CG-CZ 3.54Å; P197-F304 HydrophobicContact CB-CE1 4.43Å; P197-F304 HydrophobicContact CB-CZ 4.38Å; P197-F304 HydrophobicContact CG-CE1 3.8Å; P197-F304 HydrophobicContact CG-CZ 4.08Å; S297-F304 VanDerWaalsContact O-CD2 3.28Å; S297-F304 WeakPolarHBondContact O-CD2 3.43Å; F300-F304 HydrophobicContact CB-CD2 3.93Å; F300-F304 HydrophobicContact CB-CE2 4.2Å; F300-F304 HydrophobicContact CD2-CD2 4.39Å; F300-F304 HydrophobicContact CD2-CE2 4.16Å; F300-F304 PolarHBondContact O-N 3.41Å; F304-S306 PolarHBondContact O-N 3.43Å; F304-R307 WeakPolarHBondContact O-CB 3.49Å; F304-R307 WeakPolarHBondContact O-CG 3.42Å; F304-R307 PolarHBondContact O-N 2.94Å; F304-I310 HydrophobicContact CB-CD1 3.78Å; F304-I310 HydrophobicContact CD1-CD1 3.33Å; F304-I310 HydrophobicContact CE1-CD1 4.15Å; F304-I310 HydrophobicContact CG-CD1 3.78Å; F304-F475 HydrophobicContact CD1-CE2 4.28Å; F304-F475 AromaticContact CD1-CZ 3.76Å; F304-F475 HydrophobicContact CD1-CZ 3.76Å; F304-F475 HydrophobicContact CE1-CE1 4.48Å; F304-F475 HydrophobicContact CE1-CE2 4.15Å; F304-F475 AromaticContact CE1-CZ 3.76Å; F304-F475 HydrophobicContact CE1-CZ 3.76Å
305G90.6Very high95.1Very high36 Ų3628.8 Ų28.837%0.37116%0.159SC..THydrogen-bonded Turntrans60-134.9-17500000112P301P301-G305 WeakPolarHBondContact CA-O 3.41Å; P301-G305 WeakPolarHBondContact O-CA 2.95Å; P301-G305 PolarHBondContact O-N 2.97Å
306S91.3Very high94.9Very high107 Ų10729 Ų2975%0.74816%0.161SC*.THydrogen-bonded Turntrans-937.4178.658.40000114F304F304-S306 PolarHBondContact O-N 3.43Å
307R91.1Very high94.6Very high104 Ų10429.7 Ų29.739%0.39217%0.167SC..  trans-67.4139.4-177.5-64.3-72.7-66.7-90-1.8110.8S297 N298 F304 D309 I310S297-R307 PolarHBondContact OG-O 3.01Å; N298-R307 PolarHBondContact N-O 2.88Å; F304-R307 WeakPolarHBondContact O-CB 3.49Å; F304-R307 WeakPolarHBondContact O-CG 3.42Å; F304-R307 PolarHBondContact O-N 2.94Å; R307-D309 IonicContact CZ-OD1 2.75Å; R307-D309 IonicContact CZ-OD2 3.69Å; R307-D309 IonicContact NE-OD1 3.64Å; R307-D309 PolarHBondContact NE-OD1 2.97Å; R307-D309 IonicContact NE-OD2 3.42Å; R307-D309 PolarHBondContact NE-OD2 3.46Å; R307-D309 IonicContact NH2-OD1 3.94Å; R307-D309 PolarHBondContact NH2-OD1 3.06Å; R307-D309 IonicContact NH2-OD2 3.5Å; R307-D309 PolarHBondContact NH2-OD2 2.98Å; R307-I310 HydrophobicContact CB-CD1 3.95Å; R307-I310 HydrophobicContact CB-CG1 4.06Å
308K92.9Very high94.4Very high104 Ų10429.6 Ų29.645%0.45217%0.166SC..  trans-125.7-3.4-175.7-69.3166.9169.1-177.60112.8N298 Y336 P337N298-K308 HydrophobicContact CB-CG 4.06Å; K308-Y336 HydrophobicContact CB-CD1 3.96Å; K308-Y336 HydrophobicContact CB-CE1 3.9Å; K308-Y336 HydrophobicContact CD-CD1 4.44Å; K308-Y336 HydrophobicContact CD-CE1 3.69Å; K308-Y336 HydrophobicContact CG-CD1 4.2Å; K308-Y336 HydrophobicContact CG-CE1 3.62Å; K308-P337 WeakPolarHBondContact O-CD 3.48Å
309D91.8Very high94Very high94 Ų9430 Ų3050%0.50317%0.168SC..  trans-104.6-0.5-170.160.7-49.1000112.9R307 Q311R307-D309 IonicContact CZ-OD1 2.75Å; R307-D309 IonicContact CZ-OD2 3.69Å; R307-D309 IonicContact NE-OD1 3.64Å; R307-D309 PolarHBondContact NE-OD1 2.97Å; R307-D309 IonicContact NE-OD2 3.42Å; R307-D309 PolarHBondContact NE-OD2 3.46Å; R307-D309 IonicContact NH2-OD1 3.94Å; R307-D309 PolarHBondContact NH2-OD1 3.06Å; R307-D309 IonicContact NH2-OD2 3.5Å; R307-D309 PolarHBondContact NH2-OD2 2.98Å; D309-Q311 PolarHBondContact O-N 2.87Å
310I92.9Very high93.8Very high6 Ų632 Ų323%0.03118%0.178CC..  trans-75.1125.1179.9-50.9-179.2000108.4Y164 F304 R307 L477Y164-I310 HydrophobicContact CD1-CB 4.48Å; Y164-I310 HydrophobicContact CD1-CG2 3.81Å; Y164-I310 HydrophobicContact CE1-CG2 4.5Å; F304-I310 HydrophobicContact CB-CD1 3.78Å; F304-I310 HydrophobicContact CD1-CD1 3.33Å; F304-I310 HydrophobicContact CE1-CD1 4.15Å; F304-I310 HydrophobicContact CG-CD1 3.78Å; R307-I310 HydrophobicContact CB-CD1 3.95Å; R307-I310 HydrophobicContact CB-CG1 4.06Å; I310-L477 HydrophobicContact CD1-CD2 4Å
311Q95Very high93.7Very high22 Ų2232 Ų3210%0.10318%0.178CC..EExtended strand (participates in β ladder)trans-68.1137.3179.4-176.959.949.800110.2V153 F163 Y164 D309 K338V153-Q311 HydrophobicContact CG2-CG 3.97Å; F163-Q311 CarbonylContact C-O 3.49Å; F163-Q311 VanDerWaalsContact CA-O 3.28Å; F163-Q311 WeakPolarHBondContact CA-O 3.11Å; F163-Q311 HydrophobicContact CB-CB 3.86Å; F163-Q311 HydrophobicContact CB-CG 4.43Å; F163-Q311 VanDerWaalsContact CB-O 3.3Å; F163-Q311 WeakPolarHBondContact CB-O 3.43Å; Y164-Q311 VanDerWaalsContact CD1-O 3.32Å; Y164-Q311 WeakPolarHBondContact CD1-O 3.34Å; Y164-Q311 PolarHBondContact N-O 3.07Å; D309-Q311 PolarHBondContact O-N 2.87Å; Q311-K338 PolarHBondContact NE2-O 3.37Å
312C97.6Very high93.6Very high2 Ų230.2 Ų30.21%0.01417%0.166CC..EExtended strand (participates in β ladder)trans-104.5134.1173.5-1780000109.5Y164 S295 P339 A340Y164-C312 HydrophobicContact CD1-CB 4.26Å; Y164-C312 HydrophobicContact CE1-CB 3.56Å; Y164-C312 HydrophobicContact CE2-CB 4.35Å; S295-C312 WeakPolarHBondContact O-CB 3.32Å; C312-P339 HydrophobicContact CB-CB 4.21Å; C312-A340 PolarHBondContact O-N 2.7Å
313L98.2Very high93.8Very high0 Ų028.3 Ų28.30%016%0.157CC..EExtended strand (participates in β ladder)trans-116.4127.6169.6172.863.2000109.3M150 V153 F163 Y164 L165 Y166 L190 P315 A340 L342M150-L313 HydrophobicContact CE-CD2 4.2Å; M150-L313 HydrophobicContact SD-CD1 3.9Å; M150-L313 HydrophobicContact SD-CD2 4.08Å; V153-L313 HydrophobicContact CG1-CD2 4.34Å; V153-L313 HydrophobicContact CG2-CB 4.4Å; V153-L313 HydrophobicContact CG2-CD1 4.41Å; F163-L313 HydrophobicContact CD2-CB 4.2Å; F163-L313 HydrophobicContact CE2-CB 4.25Å; F163-L313 HydrophobicContact CE2-CD2 4.03Å; Y164-L313 PolarHBondContact O-N 2.88Å; L165-L313 WeakPolarHBondContact CA-O 3.4Å; L165-L313 HydrophobicContact CD2-CB 4.04Å; L165-L313 HydrophobicContact CD2-CD2 3.81Å; L165-L313 HydrophobicContact CD2-CG 3.96Å; Y166-L313 PolarHBondContact N-O 3.47Å; L190-L313 HydrophobicContact CD1-CD2 4.38Å; L313-P315 WeakPolarHBondContact O-CD 3.44Å; L313-A340 HydrophobicContact CD1-CB 3.94Å; L313-L342 HydrophobicContact CD1-CD1 4.06Å; L313-L342 HydrophobicContact CD1-CG 4.07Å; L313-L342 HydrophobicContact CD2-CD1 4.06Å; L313-L342 HydrophobicContact CG-CD1 4.48Å
314I98.4Very high94Very high2 Ų227.9 Ų27.91%0.0115%0.154CC..EExtended strand (participates in β ladder)trans-115.5102.7-174.8-52.5178.4000110.5Y166 C316 F324 P339 A340 L341 L342Y166-I314 HydrophobicContact CD1-CD1 3.63Å; Y166-I314 HydrophobicContact CD1-CG1 3.79Å; Y166-I314 HydrophobicContact CD1-CG2 4.43Å; Y166-I314 HydrophobicContact CE1-CD1 4.05Å; Y166-I314 HydrophobicContact CG-CG1 4.47Å; Y166-I314 VanDerWaalsContact O-CA 3.29Å; Y166-I314 WeakPolarHBondContact O-CA 3.28Å; Y166-I314 WeakPolarHBondContact O-CG2 3.34Å; I314-C316 HydrophobicContact CG2-CB 4.45Å; I314-F324 HydrophobicContact CD1-CD1 3.5Å; I314-F324 HydrophobicContact CD1-CD2 4.43Å; I314-F324 HydrophobicContact CD1-CE1 3.65Å; I314-F324 HydrophobicContact CD1-CE2 4.49Å; I314-F324 HydrophobicContact CD1-CG 3.93Å; I314-F324 HydrophobicContact CD1-CZ 4.13Å; I314-F324 HydrophobicContact CG2-CD2 4.12Å; I314-F324 HydrophobicContact CG2-CE1 4.47Å; I314-F324 HydrophobicContact CG2-CE2 3.69Å; I314-F324 HydrophobicContact CG2-CZ 3.88Å; I314-P339 HydrophobicContact CD1-CB 3.66Å; I314-P339 HydrophobicContact CD1-CG 4.23Å; I314-P339 HydrophobicContact CG1-CB 4.22Å; I314-A340 PolarHBondContact N-O 2.96Å; I314-L341 HydrophobicContact CB-CG 4.28Å; I314-L341 WeakPolarHBondContact O-CA 3.43Å; I314-L342 PolarHBondContact O-N 3.39Å
315P97.7Very high94Very high0 Ų033.1 Ų33.10%017%0.174CC..EExtended strand (participates in β ladder)trans-81.7119.8168.6-8.727.6000109.9F144 L165 Y166 T167 F186 T187 L190 L313 L342F144-P315 HydrophobicContact CE1-CB 4.29Å; L165-P315 HydrophobicContact CD2-CG 4.18Å; Y166-P315 VanDerWaalsContact O-CD 3.29Å; Y166-P315 WeakPolarHBondContact O-CD 3.43Å; T167-P315 PolarHBondContact OG1-O 2.91Å; F186-P315 HydrophobicContact CD1-CB 4.2Å; T187-P315 HydrophobicContact CG2-CG 4.48Å; T187-P315 WeakPolarHBondContact OG1-CG 3.38Å; L190-P315 HydrophobicContact CD1-CB 4.21Å; L190-P315 HydrophobicContact CD1-CG 3.56Å; L313-P315 WeakPolarHBondContact O-CD 3.44Å; P315-L342 WeakPolarHBondContact CA-O 3.43Å
316C95.6Very high94.3Very high8 Ų831.9 Ų31.95%0.05416%0.158CC..EExtended strand (participates in β ladder)trans-150.3167.6178.959.40000111.5I314 Q320 L342 H343 S344I314-C316 HydrophobicContact CG2-CB 4.45Å; C316-Q320 HydrophobicContact CB-CB 4.02Å; C316-Q320 HydrophobicContact CB-CG 4.26Å; C316-L342 PolarHBondContact N-O 3.48Å; C316-H343 CarbonylContact O-C 3.48Å; C316-H343 VanDerWaalsContact O-CA 3.27Å; C316-H343 WeakPolarHBondContact O-CA 3.33Å; C316-S344 PolarHBondContact O-N 3.39Å
317A92.2Very high94.7Very high18 Ų1826.8 Ų26.815%0.14912%0.123CC..EExtended strand (participates in β ladder)trans-72.5152.6163.300000109.7D319 Q320 S344 F346A317-D319 WeakPolarHBondContact CB-OD1 3.48Å; A317-D319 PolarHBondContact O-N 3.4Å; A317-D319 VanDerWaalsContact O-N 3.08Å; A317-Q320 PolarHBondContact O-N 3.49Å; A317-Q320 VanDerWaalsContact O-N 3.08Å; A317-S344 WeakPolarHBondContact CA-OG 3.48Å; A317-F346 HydrophobicContact CB-CD1 4.39Å; A317-F346 HydrophobicContact CB-CE1 4.18Å
318I91.1Very high95Very high0 Ų023.2 Ų23.20%011%0.109CC..G310 helixtrans-63.6-18.2-171.8-163.9160.8000114.2V91 L109 F114 F145 Q320 D321 H343 S344 F346V91-I318 HydrophobicContact CG1-CG2 4.43Å; L109-I318 HydrophobicContact CD2-CD1 3.87Å; L109-I318 HydrophobicContact CD2-CG1 4.37Å; L109-I318 HydrophobicContact CD2-CG2 3.77Å; L109-I318 HydrophobicContact CG-CD1 4.25Å; F114-I318 HydrophobicContact CD2-CD1 3.86Å; F114-I318 HydrophobicContact CD2-CG1 3.89Å; F114-I318 HydrophobicContact CE2-CD1 4.32Å; F114-I318 HydrophobicContact CE2-CG1 4.02Å; F145-I318 HydrophobicContact CE1-CD1 4.33Å; F145-I318 HydrophobicContact CE2-CD1 4.25Å; F145-I318 HydrophobicContact CZ-CB 4.41Å; F145-I318 HydrophobicContact CZ-CD1 3.52Å; F145-I318 HydrophobicContact CZ-CG2 4.47Å; I318-Q320 PolarHBondContact O-N 3.25Å; I318-D321 WeakPolarHBondContact O-CB 3.48Å; I318-D321 PolarHBondContact O-N 3.43Å; I318-D321 VanDerWaalsContact O-N 3.13Å; I318-H343 HydrophobicContact CB-CB 4.05Å; I318-H343 HydrophobicContact CD1-CB 4.36Å; I318-H343 HydrophobicContact CG1-CB 4.2Å; I318-S344 PolarHBondContact N-O 3.49Å; I318-F346 HydrophobicContact CG2-CE1 4.25Å; I318-F346 HydrophobicContact CG2-CE2 3.75Å; I318-F346 HydrophobicContact CG2-CZ 3.46Å; I318-F346 VanDerWaalsContact CG2-CZ 3.46Å
319D88.2Confident95.1Very high13 Ų1322.3 Ų22.37%0.0711%0.109CC..G310 helixtrans-62.9-18.5174.161.1-24.6000113.6V91 D92 P93 A317 P322 F346 K356V91-D319 HydrophobicContact CG1-CB 4.48Å; D92-D319 WeakPolarHBondContact O-CB 3.23Å; P93-D319 WeakPolarHBondContact CA-O 3.32Å; P93-D319 WeakPolarHBondContact CG-O 3.48Å; A317-D319 WeakPolarHBondContact CB-OD1 3.48Å; A317-D319 PolarHBondContact O-N 3.4Å; A317-D319 VanDerWaalsContact O-N 3.08Å; D319-P322 WeakPolarHBondContact O-CD 3.27Å; D319-F346 HydrophobicContact CB-CE1 3.63Å; D319-F346 HydrophobicContact CB-CZ 3.75Å; D319-K356 IonicContact OD2-NZ 3.62Å; D319-K356 PolarHBondContact OD2-NZ 3.21Å
320Q93Very high95.4Very high44 Ų4417.9 Ų17.921%0.2069%0.086CC..G310 helixtrans-88.8-9.4176.9-57.4-58.5-5600113.7C316 A317 I318 P322 Y323 F324C316-Q320 HydrophobicContact CB-CB 4.02Å; C316-Q320 HydrophobicContact CB-CG 4.26Å; A317-Q320 PolarHBondContact O-N 3.49Å; A317-Q320 VanDerWaalsContact O-N 3.08Å; I318-Q320 PolarHBondContact O-N 3.25Å; Q320-P322 VanDerWaalsContact C-N 3.31Å; Q320-Y323 PolarHBondContact O-N 2.92Å; Q320-F324 HydrophobicContact CB-CD2 4.39Å; Q320-F324 HydrophobicContact CB-CE2 3.98Å; Q320-F324 VanDerWaalsContact O-CD2 3.32Å; Q320-F324 WeakPolarHBondContact O-CD2 3.35Å
321D93.9Very high95.6Very high0 Ų017.6 Ų17.60%09%0.085CC..Hα-helixtrans-53.6-36.9179.2-174.770.5000113.6R148 I318 Y323 F324 R325 H343R148-D321 IonicContact CZ-OD1 3.45Å; R148-D321 IonicContact CZ-OD2 3.49Å; R148-D321 IonicContact NE-OD1 3.23Å; R148-D321 PolarHBondContact NE-OD1 2.94Å; R148-D321 IonicContact NE-OD2 3.43Å; R148-D321 IonicContact NH2-OD1 2.76Å; R148-D321 PolarHBondContact NH2-OD1 3.44Å; R148-D321 IonicContact NH2-OD2 3.53Å; R148-D321 PolarHBondContact NH2-OD2 2.84Å; I318-D321 WeakPolarHBondContact O-CB 3.48Å; I318-D321 PolarHBondContact O-N 3.43Å; I318-D321 VanDerWaalsContact O-N 3.13Å; D321-Y323 VanDerWaalsContact C-N 3.29Å; D321-Y323 PolarHBondContact O-N 3.22Å; D321-F324 PolarHBondContact O-N 3.47Å; D321-R325 VanDerWaalsContact O-CB 3.31Å; D321-R325 WeakPolarHBondContact O-CB 3.32Å; D321-R325 PolarHBondContact O-N 3.19Å; D321-H343 IonicContact OD1-CE1 3.22Å; D321-H343 PolarHBondContact OD1-CE1 3.12Å; D321-H343 VanDerWaalsContact OD1-CE1 3.27Å; D321-H343 IonicContact OD1-NE2 2.57Å; D321-H343 PolarHBondContact OD1-NE2 3.28Å
322P94.3Very high95.7Very high12 Ų1220.3 Ų20.38%0.07810%0.104CC..Hα-helixtrans-53.8-40.3177.9-29.838.2000114.4F114 I273 F274 D319 Q320 M326F114-P322 HydrophobicContact CE1-CG 4.15Å; I273-P322 HydrophobicContact CG2-CB 3.73Å; F274-P322 HydrophobicContact CE1-CB 3.97Å; D319-P322 WeakPolarHBondContact O-CD 3.27Å; Q320-P322 VanDerWaalsContact C-N 3.31Å; P322-M326 PolarHBondContact O-N 2.69Å
323Y96.6Very high95.7Very high2 Ų226.6 Ų26.61%0.00813%0.127CC..Hα-helixtrans-63.6-43.5176-70.5-78.5000112.1P93 F274 F287 P288 Q291 Q320 D321 M326 T327P93-Y323 HydrophobicContact CB-CE2 3.74Å; P93-Y323 HydrophobicContact CG-CD2 4.1Å; P93-Y323 HydrophobicContact CG-CE2 3.5Å; F274-Y323 HydrophobicContact CD1-CE1 4.36Å; F274-Y323 AromaticContact CE1-CD1 3.61Å; F274-Y323 HydrophobicContact CE1-CD1 3.61Å; F274-Y323 AromaticContact CE1-CD2 3.96Å; F274-Y323 HydrophobicContact CE1-CD2 3.96Å; F274-Y323 AromaticContact CE1-CE1 3.5Å; F274-Y323 HydrophobicContact CE1-CE1 3.5Å; F274-Y323 AromaticContact CE1-CE2 3.87Å; F274-Y323 HydrophobicContact CE1-CE2 3.87Å; F274-Y323 AromaticContact CE1-CG 3.83Å; F274-Y323 HydrophobicContact CE1-CG 3.83Å; F274-Y323 AromaticContact CE1-CZ 3.64Å; F274-Y323 AromaticContact CZ-CD1 3.44Å; F274-Y323 HydrophobicContact CZ-CD1 3.44Å; F274-Y323 VanDerWaalsContact CZ-CD1 3.44Å; F274-Y323 HydrophobicContact CZ-CD2 4.49Å; F274-Y323 AromaticContact CZ-CE1 3.64Å; F274-Y323 HydrophobicContact CZ-CE1 3.64Å; F274-Y323 AromaticContact CZ-CG 3.9Å; F274-Y323 HydrophobicContact CZ-CG 3.9Å; F287-Y323 HydrophobicContact CD1-CE1 4.24Å; F287-Y323 HydrophobicContact CE1-CE1 4.15Å; P288-Y323 HydrophobicContact CB-CD1 4.04Å; P288-Y323 HydrophobicContact CB-CE1 4.05Å; P288-Y323 HydrophobicContact CG-CE1 4.12Å; Q291-Y323 HydrophobicContact CB-CD1 4.14Å; Q291-Y323 HydrophobicContact CB-CE1 4.47Å; Q291-Y323 HydrophobicContact CG-CD1 4.32Å; Q291-Y323 HydrophobicContact CG-CG 4.3Å; Q291-Y323 VanDerWaalsContact NE2-CD2 3.34Å; Q320-Y323 PolarHBondContact O-N 2.92Å; D321-Y323 VanDerWaalsContact C-N 3.29Å; D321-Y323 PolarHBondContact O-N 3.22Å; Y323-M326 WeakPolarHBondContact O-CB 3.38Å; Y323-T327 PolarHBondContact O-N 2.9Å; Y323-T327 PolarHBondContact O-OG1 3.16Å
324F97.2Very high95.6Very high5 Ų527.9 Ų27.92%0.02213%0.134CC..Hα-helixtrans-86.5-25.4-172.9-57.4-54.8000113Y166 Q291 I314 Q320 D321 T327 R328 L341Y166-F324 HydrophobicContact CD1-CE1 4.5Å; Y166-F324 AromaticContact CE1-CE1 3.65Å; Y166-F324 HydrophobicContact CE1-CE1 3.65Å; Y166-F324 AromaticContact CE1-CZ 3.85Å; Y166-F324 HydrophobicContact CE1-CZ 3.85Å; Q291-F324 HydrophobicContact CG-CE1 4.48Å; Q291-F324 HydrophobicContact CG-CZ 4.34Å; I314-F324 HydrophobicContact CD1-CD1 3.5Å; I314-F324 HydrophobicContact CD1-CD2 4.43Å; I314-F324 HydrophobicContact CD1-CE1 3.65Å; I314-F324 HydrophobicContact CD1-CE2 4.49Å; I314-F324 HydrophobicContact CD1-CG 3.93Å; I314-F324 HydrophobicContact CD1-CZ 4.13Å; I314-F324 HydrophobicContact CG2-CD2 4.12Å; I314-F324 HydrophobicContact CG2-CE1 4.47Å; I314-F324 HydrophobicContact CG2-CE2 3.69Å; I314-F324 HydrophobicContact CG2-CZ 3.88Å; Q320-F324 HydrophobicContact CB-CD2 4.39Å; Q320-F324 HydrophobicContact CB-CE2 3.98Å; Q320-F324 VanDerWaalsContact O-CD2 3.32Å; Q320-F324 WeakPolarHBondContact O-CD2 3.35Å; D321-F324 PolarHBondContact O-N 3.47Å; F324-T327 PolarHBondContact O-N 3.11Å; F324-R328 WeakPolarHBondContact O-CB 3.49Å; F324-R328 WeakPolarHBondContact O-CG 3.48Å; F324-R328 PolarHBondContact O-N 3.45Å; F324-L341 HydrophobicContact CB-CD1 3.97Å; F324-L341 HydrophobicContact CB-CD2 3.45Å; F324-L341 VanDerWaalsContact CB-CD2 3.45Å; F324-L341 HydrophobicContact CB-CG 4.24Å; F324-L341 HydrophobicContact CD2-CD2 3.61Å; F324-L341 HydrophobicContact CG-CD2 3.82Å
325R95.4Very high95.4Very high117 Ų11730.7 Ų30.744%0.44216%0.164SC..Hα-helixtrans-60.3-47.8165.6-173.5176.3175.6178.40.8110.2R113 D321 T327 R328 D329R113-R325 PolarHBondContact O-NH1 3.37Å; D321-R325 VanDerWaalsContact O-CB 3.31Å; D321-R325 WeakPolarHBondContact O-CB 3.32Å; D321-R325 PolarHBondContact O-N 3.19Å; R325-T327 VanDerWaalsContact C-N 3.34Å; R325-T327 PolarHBondContact O-N 3.06Å; R325-R328 PolarHBondContact O-N 2.89Å; R325-D329 PolarHBondContact O-N 3.2Å
326M96.8Very high95.4Very high9 Ų931.3 Ų31.34%0.04417%0.166CC..Hα-helixtrans-57.9-46.3171.2-176.1-163.770.600111.4V265 V270 I273 F274 P288 A292 P322 Y323 R328 D329 V330V265-M326 HydrophobicContact CB-SD 4.43Å; V265-M326 HydrophobicContact CG1-CG 4.44Å; V265-M326 HydrophobicContact CG1-SD 3.71Å; V265-M326 HydrophobicContact CG2-CE 4.45Å; V265-M326 HydrophobicContact CG2-CG 4.05Å; V265-M326 HydrophobicContact CG2-SD 3.85Å; V270-M326 HydrophobicContact CG1-SD 4.4Å; I273-M326 HydrophobicContact CD1-CB 4.09Å; I273-M326 HydrophobicContact CD1-CG 4.17Å; F274-M326 HydrophobicContact CE2-SD 4.17Å; P288-M326 HydrophobicContact CB-CE 3.64Å; P288-M326 HydrophobicContact CB-SD 3.95Å; P288-M326 WeakPolarHBondContact O-CE 3.37Å; A292-M326 HydrophobicContact CB-CE 4.2Å; P322-M326 PolarHBondContact O-N 2.69Å; Y323-M326 WeakPolarHBondContact O-CB 3.38Å; M326-R328 VanDerWaalsContact C-N 3.32Å; M326-R328 PolarHBondContact O-N 3.45Å; M326-D329 PolarHBondContact O-N 3.04Å; M326-V330 WeakPolarHBondContact O-CG2 3.37Å; M326-V330 PolarHBondContact O-N 3.05Å; M326-V330 VanDerWaalsContact O-N 3.14Å
327T98.1Very high95.4Very high1 Ų132.8 Ų32.81%0.00618%0.175CC..Hα-helixtrans-60.2-40.9-179.8-56.30000112.1A292 F296 Y323 F324 R325 D329 V330 A331 P339A292-T327 HydrophobicContact CB-CG2 3.97Å; A292-T327 WeakPolarHBondContact CB-OG1 3.34Å; F296-T327 HydrophobicContact CE2-CG2 4.18Å; F296-T327 HydrophobicContact CZ-CG2 3.75Å; Y323-T327 PolarHBondContact O-N 2.9Å; Y323-T327 PolarHBondContact O-OG1 3.16Å; F324-T327 PolarHBondContact O-N 3.11Å; R325-T327 VanDerWaalsContact C-N 3.34Å; R325-T327 PolarHBondContact O-N 3.06Å; T327-D329 VanDerWaalsContact C-N 3.33Å; T327-D329 PolarHBondContact O-N 3.21Å; T327-V330 PolarHBondContact O-N 2.94Å; T327-A331 WeakPolarHBondContact O-CB 3.42Å; T327-A331 PolarHBondContact O-N 2.88Å; T327-P339 HydrophobicContact CG2-CG 4.02Å
328R97.7Very high95.7Very high28 Ų2835.9 Ų35.911%0.10619%0.186CC..Hα-helixtrans-66.3-31.4178.1-73170.160.174.72.8113.1D149 F324 R325 M326 P332 K338 P339D149-R328 IonicContact OD1-NH2 2.82Å; D149-R328 IonicContact OD2-CZ 3.24Å; D149-R328 IonicContact OD2-NH1 3.27Å; D149-R328 PolarHBondContact OD2-NH1 3.3Å; D149-R328 IonicContact OD2-NH2 3.22Å; D149-R328 PolarHBondContact OD2-NH2 3.33Å; F324-R328 WeakPolarHBondContact O-CB 3.49Å; F324-R328 WeakPolarHBondContact O-CG 3.48Å; F324-R328 PolarHBondContact O-N 3.45Å; R325-R328 PolarHBondContact O-N 2.89Å; M326-R328 VanDerWaalsContact C-N 3.32Å; M326-R328 PolarHBondContact O-N 3.45Å; R328-P332 WeakPolarHBondContact O-CD 2.88Å; R328-K338 HydrophobicContact CB-CD 4.35Å; R328-K338 HydrophobicContact CB-CG 4.42Å; R328-K338 HydrophobicContact CG-CB 4.2Å; R328-K338 WeakPolarHBondContact O-CE 3.43Å; R328-P339 HydrophobicContact CG-CG 3.95Å; R328-P339 PolarHBondContact NH1-O 3.39Å
329D96.1Very high96Very high85 Ų8535.9 Ų35.946%0.45519%0.186SC..Hα-helixtrans-74.3-31.2174.6-72.6-18.2000112.2R325 M326 T327 R333R325-D329 PolarHBondContact O-N 3.2Å; M326-D329 PolarHBondContact O-N 3.04Å; T327-D329 VanDerWaalsContact C-N 3.33Å; T327-D329 PolarHBondContact O-N 3.21Å; D329-R333 PolarHBondContact O-NE 3.39Å
330V97.1Very high96.5Very high2 Ų235.2 Ų35.21%0.01218%0.182CC..Hα-helixtrans-80.2-40178.3173.40000112.1I261 H264 V265 M326 T327 R333 I334I261-V330 HydrophobicContact CB-CG1 4.45Å; I261-V330 HydrophobicContact CG1-CG1 4.21Å; I261-V330 HydrophobicContact CG2-CG1 4.34Å; H264-V330 HydrophobicContact CB-CG1 4.15Å; H264-V330 HydrophobicContact CB-CG2 4.4Å; V265-V330 HydrophobicContact CG2-CG2 3.54Å; M326-V330 WeakPolarHBondContact O-CG2 3.37Å; M326-V330 PolarHBondContact O-N 3.05Å; M326-V330 VanDerWaalsContact O-N 3.14Å; T327-V330 PolarHBondContact O-N 2.94Å; V330-R333 WeakPolarHBondContact O-CA 3.49Å; V330-R333 WeakPolarHBondContact O-CB 3.25Å; V330-R333 PolarHBondContact O-N 2.99Å; V330-I334 HydrophobicContact CG1-CD1 4.02Å; V330-I334 HydrophobicContact CG1-CG1 4.36Å; V330-I334 HydrophobicContact CG1-CG2 4.23Å; V330-I334 PolarHBondContact O-N 3.1Å
331A97.4Very high96.7Very high0 Ų033.1 Ų33.10%017%0.172CC..G310 helixtrans-44.4-53.6-174.600000114.8F296 T327 R333 I334 G335 Y336 K338F296-A331 HydrophobicContact CE1-CB 3.73Å; F296-A331 HydrophobicContact CZ-CB 3.95Å; T327-A331 WeakPolarHBondContact O-CB 3.42Å; T327-A331 PolarHBondContact O-N 2.88Å; A331-R333 VanDerWaalsContact C-N 3.28Å; A331-R333 PolarHBondContact O-N 2.89Å; A331-I334 VanDerWaalsContact O-CG1 3.31Å; A331-I334 WeakPolarHBondContact O-CG1 3.47Å; A331-I334 PolarHBondContact O-N 3.11Å; A331-G335 PolarHBondContact O-N 3.44Å; A331-Y336 CarbonylContact C-O 3.54Å; A331-Y336 PolarHBondContact O-N 3.27Å; A331-K338 HydrophobicContact CB-CG 4.24Å
332P97.4Very high96.9Very high78 Ų7833.2 Ų33.251%0.50617%0.173SC..G310 helixtrans-66.7-27.118026.4-35.3000113.5R328 I334 G335R328-P332 WeakPolarHBondContact O-CD 2.88Å; P332-I334 VanDerWaalsContact C-N 3.29Å; P332-I334 PolarHBondContact O-N 3.33Å; P332-G335 PolarHBondContact O-N 2.95Å
333R96.8Very high96.9Very high135 Ų13532.6 Ų32.651%0.50917%0.169SC..G310 helixtrans-71.6-26.1179.3-56.2-180-171.7160.74.5112.5H264 D329 V330 A331H264-R333 PolarHBondContact O-NH1 3.39Å; D329-R333 PolarHBondContact O-NE 3.39Å; V330-R333 WeakPolarHBondContact O-CA 3.49Å; V330-R333 WeakPolarHBondContact O-CB 3.25Å; V330-R333 PolarHBondContact O-N 2.99Å; A331-R333 VanDerWaalsContact C-N 3.28Å; A331-R333 PolarHBondContact O-N 2.89Å
334I96.1Very high96.9Very high26 Ų2632.6 Ų32.613%0.13317%0.169CC..G310 helixtrans-102.95.5177.563.1175.6000112.9K260 I261 F296 V330 A331 P332 Y336K260-I334 HydrophobicContact CB-CG2 4.13Å; I261-I334 HydrophobicContact CG1-CD1 4.24Å; F296-I334 HydrophobicContact CD2-CD1 4.3Å; F296-I334 HydrophobicContact CE2-CD1 3.72Å; F296-I334 HydrophobicContact CZ-CD1 3.89Å; V330-I334 HydrophobicContact CG1-CD1 4.02Å; V330-I334 HydrophobicContact CG1-CG1 4.36Å; V330-I334 HydrophobicContact CG1-CG2 4.23Å; V330-I334 PolarHBondContact O-N 3.1Å; A331-I334 VanDerWaalsContact O-CG1 3.31Å; A331-I334 WeakPolarHBondContact O-CG1 3.47Å; A331-I334 PolarHBondContact O-N 3.11Å; P332-I334 VanDerWaalsContact C-N 3.29Å; P332-I334 PolarHBondContact O-N 3.33Å; I334-Y336 HydrophobicContact CD1-CD2 3.36Å; I334-Y336 HydrophobicContact CD1-CE2 3.66Å; I334-Y336 HydrophobicContact CD1-CG 4.4Å; I334-Y336 HydrophobicContact CG1-CD2 3.56Å; I334-Y336 HydrophobicContact CG1-CE2 4.06Å; I334-Y336 HydrophobicContact CG1-CG 4.17Å
335G95.7Very high96.6Very high62 Ų6233.2 Ų33.264%0.63917%0.173SC*.THydrogen-bonded Turntrans77.631.3174.900000114.7A331 P332A331-G335 PolarHBondContact O-N 3.44Å; P332-G335 PolarHBondContact O-N 2.95Å
336Y96.8Very high96.3Very high12 Ų1228.4 Ų28.45%0.04716%0.156CC..  trans-117.9155.1179.1-62.6-30000112.4N257 K260 F296 N298 K308 A331 I334N257-Y336 WeakPolarHBondContact OD1-CE2 3.22Å; N257-Y336 PolarHBondContact OD1-OH 3.4Å; K260-Y336 PolarHBondContact NZ-OH 3.11Å; F296-Y336 HydrophobicContact CB-CD2 3.85Å; F296-Y336 HydrophobicContact CB-CE2 4.04Å; F296-Y336 HydrophobicContact CB-CG 4.45Å; F296-Y336 VanDerWaalsContact CD1-CB 3.45Å; F296-Y336 AromaticContact CD1-CD2 3.38Å; F296-Y336 HydrophobicContact CD1-CD2 3.38Å; F296-Y336 HydrophobicContact CD1-CE2 4.35Å; F296-Y336 AromaticContact CD1-CG 3.72Å; F296-Y336 HydrophobicContact CD1-CG 3.72Å; F296-Y336 AromaticContact CD2-CD2 3.74Å; F296-Y336 HydrophobicContact CD2-CD2 3.74Å; F296-Y336 HydrophobicContact CD2-CE2 4.1Å; F296-Y336 AromaticContact CE1-CD2 3.78Å; F296-Y336 HydrophobicContact CE1-CD2 3.78Å; F296-Y336 HydrophobicContact CE1-CG 4.15Å; F296-Y336 HydrophobicContact CE2-CD2 4.11Å; F296-Y336 AromaticContact CG-CD2 3.35Å; F296-Y336 HydrophobicContact CG-CD2 3.35Å; F296-Y336 AromaticContact CG-CE2 3.89Å; F296-Y336 HydrophobicContact CG-CE2 3.89Å; F296-Y336 HydrophobicContact CG-CG 4.09Å; F296-Y336 HydrophobicContact CZ-CD2 4.13Å; N298-Y336 PolarHBondContact ND2-OH 2.93Å; N298-Y336 VanDerWaalsContact ND2-OH 3.17Å; N298-Y336 PolarHBondContact OD1-OH 3.23Å; K308-Y336 HydrophobicContact CB-CD1 3.96Å; K308-Y336 HydrophobicContact CB-CE1 3.9Å; K308-Y336 HydrophobicContact CD-CD1 4.44Å; K308-Y336 HydrophobicContact CD-CE1 3.69Å; K308-Y336 HydrophobicContact CG-CD1 4.2Å; K308-Y336 HydrophobicContact CG-CE1 3.62Å; A331-Y336 CarbonylContact C-O 3.54Å; A331-Y336 PolarHBondContact O-N 3.27Å; I334-Y336 HydrophobicContact CD1-CD2 3.36Å; I334-Y336 HydrophobicContact CD1-CE2 3.66Å; I334-Y336 HydrophobicContact CD1-CG 4.4Å; I334-Y336 HydrophobicContact CG1-CD2 3.56Å; I334-Y336 HydrophobicContact CG1-CE2 4.06Å; I334-Y336 HydrophobicContact CG1-CG 4.17Å
337P96.4Very high95.9Very high39 Ų3928.5 Ų28.525%0.25316%0.156SC..PPolyproline II helixtrans-65.6150.9172.528.7-34.7000110.8K308K308-P337 WeakPolarHBondContact O-CD 3.48Å
338K97.7Very high95.5Very high83 Ų8328.9 Ų28.936%0.36116%0.158SC..PPolyproline II helixtrans-73133.9174.6-67.2-176.1-179.7-177.30109Q311 R328 A331Q311-K338 PolarHBondContact NE2-O 3.37Å; R328-K338 HydrophobicContact CB-CD 4.35Å; R328-K338 HydrophobicContact CB-CG 4.42Å; R328-K338 HydrophobicContact CG-CB 4.2Å; R328-K338 WeakPolarHBondContact O-CE 3.43Å; A331-K338 HydrophobicContact CB-CG 4.24Å
339P97.8Very high95.2Very high0 Ų027.5 Ų27.50%015%0.153CC..PPolyproline II helixtrans-65.8140.4171.527.7-34000110.3C312 I314 T327 R328 L341C312-P339 HydrophobicContact CB-CB 4.21Å; I314-P339 HydrophobicContact CD1-CB 3.66Å; I314-P339 HydrophobicContact CD1-CG 4.23Å; I314-P339 HydrophobicContact CG1-CB 4.22Å; T327-P339 HydrophobicContact CG2-CG 4.02Å; R328-P339 HydrophobicContact CG-CG 3.95Å; R328-P339 PolarHBondContact NH1-O 3.39Å; P339-L341 WeakPolarHBondContact O-CD1 3.13Å
340A97.8Very high94.9Very high0 Ų023.5 Ų23.50%013%0.132CC..EExtended strand (participates in β ladder)trans-85155.7169.300000109.6R148 D149 V153 C312 L313 I314R148-A340 CarbonylContact O-C 3.43Å; R148-A340 VanDerWaalsContact O-CA 3.24Å; R148-A340 WeakPolarHBondContact O-CA 3.43Å; R148-A340 WeakPolarHBondContact O-CB 3.34Å; D149-A340 HydrophobicContact CB-CB 4.29Å; V153-A340 HydrophobicContact CG2-CB 3.32Å; C312-A340 PolarHBondContact O-N 2.7Å; L313-A340 HydrophobicContact CD1-CB 3.94Å; I314-A340 PolarHBondContact N-O 2.96Å
341L97.8Very high94.4Very high0 Ų026.9 Ų26.90%015%0.147CC..EExtended strand (participates in β ladder)trans-134.3147.8-176.3-72.698.3000112.4H147 R148 I314 F324 P339 H343H147-L341 CarbonylContact C-O 3.46Å; H147-L341 WeakPolarHBondContact CA-O 3.49Å; H147-L341 VanDerWaalsContact CB-O 3.3Å; H147-L341 WeakPolarHBondContact CB-O 3.35Å; R148-L341 HydrophobicContact CB-CB 4.16Å; R148-L341 HydrophobicContact CB-CD1 4.18Å; R148-L341 HydrophobicContact CG-CB 4.39Å; R148-L341 HydrophobicContact CG-CD1 4.49Å; R148-L341 PolarHBondContact N-O 2.71Å; R148-L341 PolarHBondContact O-N 3.03Å; I314-L341 HydrophobicContact CB-CG 4.28Å; I314-L341 WeakPolarHBondContact O-CA 3.43Å; F324-L341 HydrophobicContact CB-CD1 3.97Å; F324-L341 HydrophobicContact CB-CD2 3.45Å; F324-L341 VanDerWaalsContact CB-CD2 3.45Å; F324-L341 HydrophobicContact CB-CG 4.24Å; F324-L341 HydrophobicContact CD2-CD2 3.61Å; F324-L341 HydrophobicContact CG-CD2 3.82Å; P339-L341 WeakPolarHBondContact O-CD1 3.13Å; L341-H343 VanDerWaalsContact CD2-NE2 3.35Å; L341-H343 WeakPolarHBondContact CD2-NE2 3.49Å
342L97.3Very high93.9Very high1 Ų127 Ų271%0.00515%0.148CC..EExtended strand (participates in β ladder)trans-127.9121165.6-75.9168000107.9I119 F144 H147 M150 F186 L190 L313 I314 P315 C316I119-L342 HydrophobicContact CD1-CD2 3.69Å; F144-L342 HydrophobicContact CD1-CB 3.87Å; F144-L342 HydrophobicContact CE1-CB 4.16Å; F144-L342 WeakPolarHBondContact CE1-O 3.3Å; H147-L342 HydrophobicContact CB-CD2 3.84Å; M150-L342 HydrophobicContact CE-CD1 4.21Å; M150-L342 HydrophobicContact CG-CD2 4.3Å; M150-L342 HydrophobicContact SD-CD1 3.89Å; M150-L342 HydrophobicContact SD-CD2 4.18Å; M150-L342 HydrophobicContact SD-CG 4.08Å; F186-L342 HydrophobicContact CE1-CB 4.33Å; F186-L342 HydrophobicContact CE1-CD1 3.81Å; F186-L342 HydrophobicContact CZ-CD1 4.25Å; L190-L342 HydrophobicContact CD1-CD1 4.14Å; L313-L342 HydrophobicContact CD1-CD1 4.06Å; L313-L342 HydrophobicContact CD1-CG 4.07Å; L313-L342 HydrophobicContact CD2-CD1 4.06Å; L313-L342 HydrophobicContact CG-CD1 4.48Å; I314-L342 PolarHBondContact O-N 3.39Å; P315-L342 WeakPolarHBondContact CA-O 3.43Å; C316-L342 PolarHBondContact N-O 3.48Å
343H96Very high93.2Very high0 Ų023.9 Ų23.90%013%0.129CC..EExtended strand (participates in β ladder)trans-105127.6-174.3-56.2134000111.6F144 F145 S146 C316 I318 D321 L341F144-H343 WeakPolarHBondContact CA-O 3.34Å; F144-H343 VanDerWaalsContact CD1-C 3.5Å; F145-H343 WeakPolarHBondContact CD1-O 3.42Å; F145-H343 PolarHBondContact N-O 3.28Å; S146-H343 PolarHBondContact O-N 3.37Å; S146-H343 PolarHBondContact OG-ND1 2.85Å; C316-H343 CarbonylContact O-C 3.48Å; C316-H343 VanDerWaalsContact O-CA 3.27Å; C316-H343 WeakPolarHBondContact O-CA 3.33Å; I318-H343 HydrophobicContact CB-CB 4.05Å; I318-H343 HydrophobicContact CD1-CB 4.36Å; I318-H343 HydrophobicContact CG1-CB 4.2Å; D321-H343 IonicContact OD1-CE1 3.22Å; D321-H343 PolarHBondContact OD1-CE1 3.12Å; D321-H343 VanDerWaalsContact OD1-CE1 3.27Å; D321-H343 IonicContact OD1-NE2 2.57Å; D321-H343 PolarHBondContact OD1-NE2 3.28Å; L341-H343 VanDerWaalsContact CD2-NE2 3.35Å; L341-H343 WeakPolarHBondContact CD2-NE2 3.49Å
344S94.8Very high92.4Very high2 Ų220.6 Ų20.61%0.01412%0.12CC..EExtended strand (participates in β ladder)trans-90.9155.517083.60000112.7V143 C316 A317 I318V143-S344 CarbonylContact O-C 3.32Å; V143-S344 WeakPolarHBondContact O-CA 3.48Å; C316-S344 PolarHBondContact O-N 3.39Å; A317-S344 WeakPolarHBondContact CA-OG 3.48Å; I318-S344 PolarHBondContact N-O 3.49Å
345T91.7Very high91.7Very high17 Ų1722.6 Ų22.610%0.10413%0.133CC..PPolyproline II helixtrans-65.1166.3161.458.70000110.6Y106 V143 F145Y106-T345 HydrophobicContact CD1-CG2 4.12Å; Y106-T345 HydrophobicContact CD2-CG2 3.87Å; Y106-T345 HydrophobicContact CE1-CG2 3.91Å; Y106-T345 HydrophobicContact CE2-CG2 3.65Å; Y106-T345 HydrophobicContact CG-CG2 4.11Å; V143-T345 PolarHBondContact O-N 2.82Å; V143-T345 PolarHBondContact O-OG1 3.4Å; F145-T345 HydrophobicContact CD1-CG2 3.55Å; F145-T345 HydrophobicContact CE1-CG2 3.88Å; F145-T345 HydrophobicContact CG-CG2 4.24Å
346F88.8Confident91Very high16 Ų1621.9 Ų21.97%0.0711%0.113CC..PPolyproline II helixtrans-81141174-59.9-61.9000111.3V91 V96 V104 Y106 A317 I318 D319 K356V91-F346 HydrophobicContact CG1-CE2 3.83Å; V91-F346 HydrophobicContact CG1-CZ 3.63Å; V91-F346 HydrophobicContact CG2-CE2 4.33Å; V96-F346 HydrophobicContact CB-CE2 4.45Å; V96-F346 HydrophobicContact CG1-CD2 3.73Å; V96-F346 HydrophobicContact CG1-CE2 3.82Å; V96-F346 HydrophobicContact CG1-CG 4.34Å; V96-F346 HydrophobicContact CG2-CD1 4.2Å; V96-F346 HydrophobicContact CG2-CD2 4.14Å; V96-F346 HydrophobicContact CG2-CE1 3.82Å; V96-F346 HydrophobicContact CG2-CE2 3.73Å; V96-F346 HydrophobicContact CG2-CG 4.36Å; V96-F346 HydrophobicContact CG2-CZ 3.57Å; V104-F346 HydrophobicContact CG2-CD2 4.33Å; Y106-F346 HydrophobicContact CE1-CD2 4.1Å; Y106-F346 HydrophobicContact CE1-CE2 4.4Å; Y106-F346 PolarHBondContact OH-N 2.87Å; A317-F346 HydrophobicContact CB-CD1 4.39Å; A317-F346 HydrophobicContact CB-CE1 4.18Å; I318-F346 HydrophobicContact CG2-CE1 4.25Å; I318-F346 HydrophobicContact CG2-CE2 3.75Å; I318-F346 HydrophobicContact CG2-CZ 3.46Å; I318-F346 VanDerWaalsContact CG2-CZ 3.46Å; D319-F346 HydrophobicContact CB-CE1 3.63Å; D319-F346 HydrophobicContact CB-CZ 3.75Å; F346-K356 HydrophobicContact CB-CB 4.22Å; F346-K356 HydrophobicContact CD1-CB 4.49Å; F346-K356 HydrophobicContact CD1-CD 4.35Å; F346-K356 HydrophobicContact CG-CB 4.46Å
347F89.5Confident90.2Very high11 Ų1121.8 Ų21.85%0.04811%0.113CC..PPolyproline II helixtrans-78.7119.3168.9-164.8-97.7000109.4V178 I182 M357 Y409 F412 F413V178-F347 HydrophobicContact CG2-CD1 4.24Å; V178-F347 HydrophobicContact CG2-CE1 3.49Å; V178-F347 VanDerWaalsContact CG2-CE1 3.49Å; V178-F347 HydrophobicContact CG2-CZ 3.94Å; I182-F347 HydrophobicContact CD1-CD2 4.12Å; I182-F347 HydrophobicContact CD1-CE2 4.48Å; I182-F347 HydrophobicContact CG1-CB 4.39Å; I182-F347 HydrophobicContact CG1-CD2 4Å; I182-F347 HydrophobicContact CG1-CG 4.46Å; F347-M357 HydrophobicContact CD1-CB 4.25Å; F347-M357 HydrophobicContact CD1-CE 3.75Å; F347-M357 HydrophobicContact CD1-SD 4.05Å; F347-M357 HydrophobicContact CE1-CE 3.52Å; F347-M357 HydrophobicContact CE1-SD 4.2Å; F347-M357 PolarHBondContact O-N 3.45Å; F347-Y409 AromaticContact CD1-CE1 3.94Å; F347-Y409 HydrophobicContact CD1-CE1 3.94Å; F347-Y409 AromaticContact CE1-CD1 3.7Å; F347-Y409 HydrophobicContact CE1-CD1 3.7Å; F347-Y409 HydrophobicContact CE1-CD2 4.04Å; F347-Y409 AromaticContact CE1-CE1 3.22Å; F347-Y409 HydrophobicContact CE1-CE1 3.22Å; F347-Y409 AromaticContact CE1-CE2 3.62Å; F347-Y409 HydrophobicContact CE1-CE2 3.62Å; F347-Y409 HydrophobicContact CE1-CG 4.09Å; F347-Y409 AromaticContact CE1-CZ 3.2Å; F347-Y409 AromaticContact CE2-CD1 3.76Å; F347-Y409 HydrophobicContact CE2-CD1 3.76Å; F347-Y409 HydrophobicContact CE2-CE1 4.09Å; F347-Y409 HydrophobicContact CE2-CG 4.11Å; F347-Y409 AromaticContact CZ-CD1 3.2Å; F347-Y409 HydrophobicContact CZ-CD1 3.2Å; F347-Y409 AromaticContact CZ-CD2 3.62Å; F347-Y409 HydrophobicContact CZ-CD2 3.62Å; F347-Y409 AromaticContact CZ-CE1 3.3Å; F347-Y409 HydrophobicContact CZ-CE1 3.3Å; F347-Y409 AromaticContact CZ-CE2 3.71Å; F347-Y409 HydrophobicContact CZ-CE2 3.71Å; F347-Y409 AromaticContact CZ-CG 3.38Å; F347-Y409 HydrophobicContact CZ-CG 3.38Å; F347-Y409 AromaticContact CZ-CZ 3.58Å; F347-F412 HydrophobicContact CD2-CB 4.49Å; F347-F412 AromaticContact CD2-CD1 3.99Å; F347-F412 HydrophobicContact CD2-CD1 3.99Å; F347-F412 AromaticContact CD2-CD2 3.76Å; F347-F412 HydrophobicContact CD2-CD2 3.76Å; F347-F412 HydrophobicContact CD2-CE1 4.07Å; F347-F412 AromaticContact CD2-CE2 3.91Å; F347-F412 HydrophobicContact CD2-CE2 3.91Å; F347-F412 AromaticContact CD2-CG 3.83Å; F347-F412 HydrophobicContact CD2-CG 3.83Å; F347-F412 HydrophobicContact CD2-CZ 4.06Å; F347-F412 HydrophobicContact CE2-CB 4.06Å; F347-F412 HydrophobicContact CE2-CD1 4.39Å; F347-F412 AromaticContact CE2-CD2 3.63Å; F347-F412 HydrophobicContact CE2-CD2 3.63Å; F347-F412 HydrophobicContact CE2-CE2 4.17Å; F347-F412 AromaticContact CE2-CG 3.79Å; F347-F412 HydrophobicContact CE2-CG 3.79Å; F347-F413 HydrophobicContact CE2-CD2 4.27Å; F347-F413 AromaticContact CE2-CE2 3.43Å; F347-F413 HydrophobicContact CE2-CE2 3.43Å; F347-F413 VanDerWaalsContact CE2-CE2 3.43Å; F347-F413 AromaticContact CE2-CZ 3.9Å; F347-F413 HydrophobicContact CE2-CZ 3.9Å; F347-F413 HydrophobicContact CZ-CD2 4.39Å; F347-F413 AromaticContact CZ-CE2 3.46Å; F347-F413 HydrophobicContact CZ-CE2 3.46Å; F347-F413 VanDerWaalsContact CZ-CE2 3.46Å; F347-F413 HydrophobicContact CZ-CZ 4.14Å
348P89.3Confident89.4Confident9 Ų922.1 Ų22.16%0.05812%0.116CC..EExtended strand (participates in β ladder)trans-69.4149.7-169.318.8-20.8000112A353 M408 Y409P348-A353 HydrophobicContact CB-CB 4.18Å; P348-M408 HydrophobicContact CB-SD 4.19Å; P348-M408 HydrophobicContact CG-CB 3.99Å; P348-M408 HydrophobicContact CG-CG 4.48Å; P348-M408 HydrophobicContact CG-SD 3.7Å; P348-Y409 HydrophobicContact CB-CE1 4.5Å; P348-Y409 HydrophobicContact CG-CD1 4.17Å; P348-Y409 HydrophobicContact CG-CE1 3.8Å; P348-Y409 VanDerWaalsContact O-CE1 3.26Å; P348-Y409 WeakPolarHBondContact O-CE1 3.38Å; P348-Y409 PolarHBondContact O-OH 3.06Å
349A90.9Very high88.3Confident0 Ų019.3 Ų19.30%011%0.108CC..EExtended strand (participates in β ladder)trans-65.6157170.500000111Q351 G352 T355A349-Q351 PolarHBondContact O-N 3.07Å; A349-G352 PolarHBondContact N-O 3.32Å; A349-G352 PolarHBondContact O-N 3.43Å; A349-G352 VanDerWaalsContact O-N 3.15Å; A349-G352 VanDerWaalsContact O-O 3.13Å; A349-T355 WeakPolarHBondContact CB-OG1 2.93Å; A349-T355 PolarHBondContact N-O 2.73Å
350L89.7Confident87.1Confident0 Ų024.2 Ų24.20%014%0.142CC..THydrogen-bonded Turntrans-57.5-36.6177.7-78.5170.5000112.2G352 N363 S364 I366 K378 H382 A383 F384 Y409L350-G352 PolarHBondContact O-N 3.11Å; L350-N363 WeakPolarHBondContact CD1-O 3.25Å; L350-S364 WeakPolarHBondContact CG-O 3.26Å; L350-S364 PolarHBondContact N-O 3.02Å; L350-I366 HydrophobicContact CD1-CG1 4.03Å; L350-I366 HydrophobicContact CD2-CD1 4.22Å; L350-I366 HydrophobicContact CD2-CG1 4.31Å; L350-I366 HydrophobicContact CG-CG1 4.48Å; L350-K378 HydrophobicContact CD1-CB 4.02Å; L350-H382 CarbonylContact C-O 3.33Å; L350-H382 HydrophobicContact CB-CB 4.14Å; L350-H382 HydrophobicContact CD1-CB 4.32Å; L350-A383 HydrophobicContact CD2-CB 3.94Å; L350-A383 CarbonylContact O-C 3.5Å; L350-A383 VanDerWaalsContact O-CA 3.24Å; L350-A383 WeakPolarHBondContact O-CA 3.43Å; L350-F384 PolarHBondContact O-N 2.99Å; L350-Y409 HydrophobicContact CD2-CE2 3.9Å
351Q87.6Confident86Confident74 Ų7427.5 Ų27.535%0.34616%0.16SC..THydrogen-bonded Turntrans-71.5-15.1-177.6-65.369.132.100113.8A349 N363 S364 F384A349-Q351 PolarHBondContact O-N 3.07Å; Q351-N363 VanDerWaalsContact NE2-C 3.25Å; Q351-N363 PolarHBondContact NE2-O 3.28Å; Q351-S364 VanDerWaalsContact OE1-CB 3.24Å; Q351-F384 WeakPolarHBondContact O-CB 3.19Å
352G85.7Confident84.8Confident1 Ų130.2 Ų30.21%0.0118%0.182CC..EExtended strand (participates in β ladder)trans149.9171.9-177.400000113.2A349 L350 Q354A349-G352 PolarHBondContact N-O 3.32Å; A349-G352 PolarHBondContact O-N 3.43Å; A349-G352 VanDerWaalsContact O-N 3.15Å; A349-G352 VanDerWaalsContact O-O 3.13Å; L350-G352 PolarHBondContact O-N 3.11Å; G352-Q354 VanDerWaalsContact C-N 3.27Å; G352-Q354 PolarHBondContact O-N 2.95Å
353A82.9Confident84Confident14 Ų1434.4 Ų34.412%0.11621%0.205CC..EExtended strand (participates in β ladder)trans-81.3-1.7-178.400000114.3G103 P348 T355 M408G103-A353 WeakPolarHBondContact CA-O 3.48Å; P348-A353 HydrophobicContact CB-CB 4.18Å; A353-T355 PolarHBondContact O-N 3.38Å; A353-M408 HydrophobicContact CB-CE 3.83Å; A353-M408 HydrophobicContact CB-SD 3.95Å
354Q80.6Confident83.2Confident65 Ų6534.6 Ų34.630%0.30421%0.206SC..EExtended strand (participates in β ladder)trans-66.8-24.2-179.9-62.387.8-14.200112.9S97 T98 G352S97-Q354 WeakPolarHBondContact CA-O 3.44Å; T98-Q354 HydrophobicContact CG2-CB 4.44Å; T98-Q354 PolarHBondContact N-O 2.9Å; T98-Q354 WeakPolarHBondContact O-CB 3.41Å; G352-Q354 VanDerWaalsContact C-N 3.27Å; G352-Q354 PolarHBondContact O-N 2.95Å
355T80.4Confident82.9Confident68 Ų6834.5 Ų34.542%0.41721%0.205SC..EExtended strand (participates in β ladder)trans-132.3153.4179.560.30000110.8A349 A353A349-T355 WeakPolarHBondContact CB-OG1 2.93Å; A349-T355 PolarHBondContact N-O 2.73Å; A353-T355 PolarHBondContact O-N 3.38Å
356K81.6Confident83Confident48 Ų4833.7 Ų33.721%0.20920%0.2CC..EExtended strand (participates in β ladder)trans-76.8148.6170.568.5177.4175.6-169.70110.8P93 V96 D319 F346 S358P93-K356 PolarHBondContact O-NZ 3.06Å; V96-K356 HydrophobicContact CB-CB 4.36Å; V96-K356 HydrophobicContact CB-CD 4.21Å; V96-K356 HydrophobicContact CB-CG 4.16Å; V96-K356 HydrophobicContact CG2-CD 3.76Å; V96-K356 HydrophobicContact CG2-CG 4.27Å; D319-K356 IonicContact OD2-NZ 3.62Å; D319-K356 PolarHBondContact OD2-NZ 3.21Å; F346-K356 HydrophobicContact CB-CB 4.22Å; F346-K356 HydrophobicContact CD1-CB 4.49Å; F346-K356 HydrophobicContact CD1-CD 4.35Å; F346-K356 HydrophobicContact CG-CB 4.46Å; K356-S358 PolarHBondContact O-N 2.83Å
357M80.6Confident83.2Confident10 Ų1034.5 Ų34.55%0.04920%0.204CC..  trans-56.1130.6170.4-177174.2-72.200110.3H177 V178 F347 S364 S365 Y409H177-M357 HydrophobicContact CB-CG 4.5Å; H177-M357 HydrophobicContact CB-SD 3.77Å; H177-M357 PolarHBondContact NE2-O 2.93Å; V178-M357 HydrophobicContact CG2-CE 3.91Å; V178-M357 HydrophobicContact CG2-SD 3.77Å; F347-M357 HydrophobicContact CD1-CB 4.25Å; F347-M357 HydrophobicContact CD1-CE 3.75Å; F347-M357 HydrophobicContact CD1-SD 4.05Å; F347-M357 HydrophobicContact CE1-CE 3.52Å; F347-M357 HydrophobicContact CE1-SD 4.2Å; F347-M357 PolarHBondContact O-N 3.45Å; M357-S364 WeakPolarHBondContact CE-O 3.33Å; M357-S365 WeakPolarHBondContact CG-OG 3.37Å; M357-Y409 HydrophobicContact CE-CE2 4.2Å; M357-Y409 WeakPolarHBondContact CE-OH 3.4Å
358S78.1Confident83.4Confident46 Ų4634.1 Ų34.132%0.32220%0.202SC..  trans-136.4131.8-176.6178.80000111.7K356 S360 D361 S364 S365K356-S358 PolarHBondContact O-N 2.83Å; S358-S360 PolarHBondContact O-N 3.4Å; S358-S360 VanDerWaalsContact O-N 3.08Å; S358-S360 PolarHBondContact OG-N 3.33Å; S358-D361 PolarHBondContact O-N 3.44Å; S358-D361 VanDerWaalsContact O-N 3.11Å; S358-S364 PolarHBondContact O-OG 2.77Å; S358-S364 VanDerWaalsContact O-OG 3.06Å; S358-S365 PolarHBondContact N-OG 2.84Å; S358-S365 PolarHBondContact O-OG 2.69Å
359A75.6Confident83.6Confident24 Ų2437.5 Ų37.520%0.19822%0.223CC..THydrogen-bonded Turntrans-60.2-18.2174.400000113.4H177 D361 F367H177-A359 PolarHBondContact NE2-N 2.92Å; A359-D361 VanDerWaalsContact C-N 3.3Å; A359-D361 PolarHBondContact O-N 3.46Å; A359-F367 HydrophobicContact CB-CE1 4.2Å
360S71.9Confident83.8Confident102 Ų10237.9 Ų37.971%0.71323%0.225SC*.THydrogen-bonded Turntrans-71.9-21.4177.2-57.10000113.5S358S358-S360 PolarHBondContact O-N 3.4Å; S358-S360 VanDerWaalsContact O-N 3.08Å; S358-S360 PolarHBondContact OG-N 3.33Å
361D74.4Confident84.1Confident70 Ų7041 Ų4137%0.37424%0.244SC..  trans-116.9104.9173.5178.60000109.9S358 A359 N363 S364 S365S358-D361 PolarHBondContact O-N 3.44Å; S358-D361 VanDerWaalsContact O-N 3.11Å; A359-D361 VanDerWaalsContact C-N 3.3Å; A359-D361 PolarHBondContact O-N 3.46Å; D361-N363 PolarHBondContact O-N 3.1Å; D361-N363 WeakPolarHBondContact OD1-CB 3.19Å; D361-N363 PolarHBondContact OD1-N 2.91Å; D361-S364 WeakPolarHBondContact O-CB 3.39Å; D361-S364 PolarHBondContact O-N 2.93Å; D361-S364 PolarHBondContact O-OG 3.03Å; D361-S364 PolarHBondContact OD1-N 3.06Å; D361-S365 PolarHBondContact O-N 3.38Å
362A73.6Confident84.5Confident57 Ų5740.8 Ų40.847%0.47125%0.249SC..THydrogen-bonded Turntrans-61.8-24.7-178.300000113.9F367A362-F367 HydrophobicContact CB-CE2 4.39Å
363N80.7Confident85Confident88 Ų8848 Ų4847%0.47128%0.28SS..THydrogen-bonded Turntrans-84.5-18.6177.2-63.4-35.8000111.9L350 Q351 D361L350-N363 WeakPolarHBondContact CD1-O 3.25Å; Q351-N363 VanDerWaalsContact NE2-C 3.25Å; Q351-N363 PolarHBondContact NE2-O 3.28Å; D361-N363 PolarHBondContact O-N 3.1Å; D361-N363 WeakPolarHBondContact OD1-CB 3.19Å; D361-N363 PolarHBondContact OD1-N 2.91Å
364S79.8Confident85.6Confident4 Ų451.4 Ų51.43%0.02829%0.294CS..THydrogen-bonded Turntrans-81.3-20.5177.579.30000113.8L350 Q351 M357 S358 D361L350-S364 WeakPolarHBondContact CG-O 3.26Å; L350-S364 PolarHBondContact N-O 3.02Å; Q351-S364 VanDerWaalsContact OE1-CB 3.24Å; M357-S364 WeakPolarHBondContact CE-O 3.33Å; S358-S364 PolarHBondContact O-OG 2.77Å; S358-S364 VanDerWaalsContact O-OG 3.06Å; D361-S364 WeakPolarHBondContact O-CB 3.39Å; D361-S364 PolarHBondContact O-N 2.93Å; D361-S364 PolarHBondContact O-OG 3.03Å; D361-S364 PolarHBondContact OD1-N 3.06Å
365S88.2Confident86.3Confident0 Ų048.4 Ų48.40%028%0.28CS..  trans-119.1139.8-164.5-67.50000114M357 S358 D361 K378M357-S365 WeakPolarHBondContact CG-OG 3.37Å; S358-S365 PolarHBondContact N-OG 2.84Å; S358-S365 PolarHBondContact O-OG 2.69Å; D361-S365 PolarHBondContact O-N 3.38Å; S365-K378 WeakPolarHBondContact O-CD 3.24Å; S365-K378 PolarHBondContact O-NZ 2.88Å
366I92.8Very high87Confident0 Ų050.3 Ų50.30%028%0.282CS..  trans-96.8110.3163.3-55.7177.6000107.5H177 V178 L350 I375 I379 Y409 L445 I449H177-I366 CarbonylContact C-O 3.58Å; H177-I366 VanDerWaalsContact CA-O 3.23Å; H177-I366 WeakPolarHBondContact CA-O 3.39Å; H177-I366 WeakPolarHBondContact CB-O 3.49Å; V178-I366 HydrophobicContact CG1-CB 4.26Å; V178-I366 HydrophobicContact CG1-CG2 4.14Å; V178-I366 HydrophobicContact CG2-CB 4.03Å; V178-I366 PolarHBondContact N-O 3.02Å; L350-I366 HydrophobicContact CD1-CG1 4.03Å; L350-I366 HydrophobicContact CD2-CD1 4.22Å; L350-I366 HydrophobicContact CD2-CG1 4.31Å; L350-I366 HydrophobicContact CG-CG1 4.48Å; I366-I375 HydrophobicContact CG2-CG1 4.07Å; I366-I379 HydrophobicContact CD1-CD1 4.12Å; I366-I379 HydrophobicContact CD1-CG1 3.84Å; I366-Y409 HydrophobicContact CD1-CD2 4.43Å; I366-Y409 HydrophobicContact CD1-CE2 3.96Å; I366-L445 HydrophobicContact CD1-CD1 3.81Å; I366-I449 HydrophobicContact CG2-CD1 3.79Å
367F93.8Very high87.6Confident33 Ų3351.2 Ų51.215%0.14529%0.29CS..BIsolated β-bridgetrans-81.2151.9-178.3-64.3-73.3000111.1H177 A359 A362 T369 D370H177-F367 HydrophobicContact CB-CD1 4.12Å; A359-F367 HydrophobicContact CB-CE1 4.2Å; A362-F367 HydrophobicContact CB-CE2 4.39Å; F367-T369 PolarHBondContact O-N 3.23Å; F367-D370 PolarHBondContact N-OD2 2.93Å; F367-D370 WeakPolarHBondContact O-CB 3.09Å; F367-D370 PolarHBondContact O-N 3.23Å; F367-D370 VanDerWaalsContact O-N 3.09Å
368L93.6Very high88.3Confident3 Ų352.1 Ų52.12%0.01629%0.293CS..THydrogen-bonded Turntrans-68.9-13.7175.6-57.5-176.5000112.6M176 V178 L181 H452 Q453M176-L368 HydrophobicContact CB-CD1 3.7Å; M176-L368 HydrophobicContact CB-CG 4.28Å; M176-L368 WeakPolarHBondContact O-CG 3.45Å; M176-L368 PolarHBondContact O-N 2.82Å; V178-L368 HydrophobicContact CG1-CD2 4.09Å; L181-L368 HydrophobicContact CD1-CD1 4.37Å; L181-L368 HydrophobicContact CD1-CD2 3.55Å; L181-L368 HydrophobicContact CD2-CD1 3.71Å; L181-L368 HydrophobicContact CD2-CD2 4.41Å; L181-L368 HydrophobicContact CG-CD1 4.09Å; L181-L368 HydrophobicContact CG-CD2 3.96Å; L368-H452 WeakPolarHBondContact CD1-NE2 3.49Å; L368-Q453 VanDerWaalsContact O-CG 3.27Å; L368-Q453 WeakPolarHBondContact O-CG 3.38Å; L368-Q453 PolarHBondContact O-NE2 2.96Å
369T93.4Very high89Confident81 Ų8149.9 Ų49.950%0.49728%0.278SS..THydrogen-bonded Turntrans-93.4-3.9174.153.20000113.6A175 F367A175-T369 HydrophobicContact CB-CG2 3.75Å; F367-T369 PolarHBondContact O-N 3.23Å
370D94.3Very high89.9Confident8 Ų852 Ų524%0.04329%0.286CS..  trans-66.1137.5179.4-76.9-34.6000111.1F367 Q374 I375 K378 Q453F367-D370 PolarHBondContact N-OD2 2.93Å; F367-D370 WeakPolarHBondContact O-CB 3.09Å; F367-D370 PolarHBondContact O-N 3.23Å; F367-D370 VanDerWaalsContact O-N 3.09Å; D370-Q374 HydrophobicContact CB-CB 3.99Å; D370-I375 HydrophobicContact CB-CG1 3.82Å; D370-K378 IonicContact OD1-NZ 3.23Å; D370-K378 PolarHBondContact OD1-NZ 2.97Å; D370-K378 WeakPolarHBondContact OD2-CE 3.44Å; D370-K378 IonicContact OD2-NZ 2.72Å; D370-K378 PolarHBondContact OD2-NZ 2.65Å; D370-Q453 PolarHBondContact O-NE2 3.18Å
371T96.2Very high90.8Very high65 Ų6554.8 Ų54.840%0.39929%0.285SS..  trans-71.5159.6171.960.60000111.5K373 Q374 I375T371-K373 PolarHBondContact O-N 3.06Å; T371-Q374 WeakPolarHBondContact O-CB 3.49Å; T371-Q374 PolarHBondContact O-N 2.96Å; T371-Q374 WeakPolarHBondContact OG1-CG 3.19Å; T371-Q374 PolarHBondContact OG1-N 2.85Å; T371-Q374 PolarHBondContact OG1-OE1 2.87Å; T371-I375 WeakPolarHBondContact O-CG1 3.45Å; T371-I375 PolarHBondContact O-N 3.14Å
372P96.5Very high91.7Very high69 Ų6954.7 Ų54.745%0.44828%0.282SS..Hα-helixtrans-51.7-36175.2-29.436.1000113.7K376 Q446P372-K376 WeakPolarHBondContact O-CB 3.49Å; P372-K376 PolarHBondContact O-N 2.86Å; P372-K376 VanDerWaalsContact O-N 3.11Å; P372-Q446 HydrophobicContact CB-CG 4.27Å; P372-Q446 PolarHBondContact O-NE2 3.05Å
373K96.2Very high92.6Very high152 Ų15252.2 Ų52.266%0.66126%0.261SS*.Hα-helixtrans-69.8-41176.7-172.5176.4179.9179.90112.2T371 N377T371-K373 PolarHBondContact O-N 3.06Å; K373-N377 WeakPolarHBondContact O-CB 3.4Å; K373-N377 PolarHBondContact O-N 3.45Å; K373-N377 PolarHBondContact O-ND2 3.23Å
374Q94.9Very high93.3Very high86 Ų8652.2 Ų52.240%0.40226%0.258SS..Hα-helixtrans-65-45.6175.8-77.3163.2-54.400111.3D370 T371 K376 N377 K378D370-Q374 HydrophobicContact CB-CB 3.99Å; T371-Q374 WeakPolarHBondContact O-CB 3.49Å; T371-Q374 PolarHBondContact O-N 2.96Å; T371-Q374 WeakPolarHBondContact OG1-CG 3.19Å; T371-Q374 PolarHBondContact OG1-N 2.85Å; T371-Q374 PolarHBondContact OG1-OE1 2.87Å; Q374-K376 PolarHBondContact O-N 3.34Å; Q374-N377 PolarHBondContact O-N 2.98Å; Q374-K378 WeakPolarHBondContact O-CB 3.31Å; Q374-K378 WeakPolarHBondContact O-CG 3.23Å; Q374-K378 PolarHBondContact O-N 2.57Å
375I94.9Very high93.9Very high2 Ų254 Ų541%0.0127%0.27CS..Hα-helixtrans-55.4-51.9176.4-63.8160.8000110.3I366 D370 T371 N377 K378 I379 L445 Q446 I449I366-I375 HydrophobicContact CG2-CG1 4.07Å; D370-I375 HydrophobicContact CB-CG1 3.82Å; T371-I375 WeakPolarHBondContact O-CG1 3.45Å; T371-I375 PolarHBondContact O-N 3.14Å; I375-N377 VanDerWaalsContact C-N 3.34Å; I375-N377 PolarHBondContact O-N 2.89Å; I375-K378 PolarHBondContact O-N 3.38Å; I375-I379 HydrophobicContact CG2-CD1 3.66Å; I375-I379 WeakPolarHBondContact O-CG1 3.3Å; I375-I379 PolarHBondContact O-N 2.96Å; I375-L445 HydrophobicContact CG2-CB 4.3Å; I375-Q446 HydrophobicContact CD1-CG 4.38Å; I375-Q446 HydrophobicContact CG2-CG 4.32Å; I375-I449 HydrophobicContact CD1-CB 4.12Å; I375-I449 HydrophobicContact CD1-CD1 3.53Å; I375-I449 HydrophobicContact CD1-CG1 4.41Å; I375-I449 HydrophobicContact CD1-CG2 4.12Å; I375-I449 HydrophobicContact CG1-CD1 4Å
376K95.3Very high94.1Very high108 Ų10854.4 Ų54.447%0.4727%0.274SS..Hα-helixtrans-57-45.9177.1176.3172.1-176179.40112.3P372 Q374 N380 I442P372-K376 WeakPolarHBondContact O-CB 3.49Å; P372-K376 PolarHBondContact O-N 2.86Å; P372-K376 VanDerWaalsContact O-N 3.11Å; Q374-K376 PolarHBondContact O-N 3.34Å; K376-N380 WeakPolarHBondContact O-CB 3.43Å; K376-N380 VanDerWaalsContact O-CG 3.32Å; K376-N380 PolarHBondContact O-N 2.88Å; K376-N380 PolarHBondContact O-ND2 3.13Å; K376-I442 HydrophobicContact CB-CD1 4.32Å; K376-I442 HydrophobicContact CB-CG2 4.27Å; K376-I442 HydrophobicContact CG-CD1 3.95Å
377N94.8Very high94.1Very high68 Ų6855 Ų5536%0.36428%0.281SS..Hα-helixtrans-66.1-42.4-178.8-74-16.7000112.1K373 Q374 I375 K381K373-N377 WeakPolarHBondContact O-CB 3.4Å; K373-N377 PolarHBondContact O-N 3.45Å; K373-N377 PolarHBondContact O-ND2 3.23Å; Q374-N377 PolarHBondContact O-N 2.98Å; I375-N377 VanDerWaalsContact C-N 3.34Å; I375-N377 PolarHBondContact O-N 2.89Å; N377-K381 VanDerWaalsContact O-CB 3.26Å; N377-K381 WeakPolarHBondContact O-CB 3.5Å; N377-K381 WeakPolarHBondContact O-CG 3.4Å; N377-K381 PolarHBondContact O-N 3.38Å
378K94.6Very high94Very high28 Ų2858.2 Ų58.212%0.12230%0.295CS..Hα-helixtrans-63.9-46.6178.9-74.8-178.2173.9-1780111.6L350 S365 D370 Q374 I375 H382 A383L350-K378 HydrophobicContact CD1-CB 4.02Å; S365-K378 WeakPolarHBondContact O-CD 3.24Å; S365-K378 PolarHBondContact O-NZ 2.88Å; D370-K378 IonicContact OD1-NZ 3.23Å; D370-K378 PolarHBondContact OD1-NZ 2.97Å; D370-K378 WeakPolarHBondContact OD2-CE 3.44Å; D370-K378 IonicContact OD2-NZ 2.72Å; D370-K378 PolarHBondContact OD2-NZ 2.65Å; Q374-K378 WeakPolarHBondContact O-CB 3.31Å; Q374-K378 WeakPolarHBondContact O-CG 3.23Å; Q374-K378 PolarHBondContact O-N 2.57Å; I375-K378 PolarHBondContact O-N 3.38Å; K378-H382 WeakPolarHBondContact O-CA 3.31Å; K378-H382 WeakPolarHBondContact O-CB 3.46Å; K378-H382 PolarHBondContact O-N 3.05Å; K378-A383 PolarHBondContact O-N 3.06Å
379I94.4Very high93.9Very high0 Ų065.9 Ų65.90%034%0.336CS..Hα-helixtrans-63.2-47178.5-67163.4000110.7I366 I375 K381 A383 K438 L441 I442 L445I366-I379 HydrophobicContact CD1-CD1 4.12Å; I366-I379 HydrophobicContact CD1-CG1 3.84Å; I375-I379 HydrophobicContact CG2-CD1 3.66Å; I375-I379 WeakPolarHBondContact O-CG1 3.3Å; I375-I379 PolarHBondContact O-N 2.96Å; I379-K381 PolarHBondContact O-N 2.62Å; I379-A383 HydrophobicContact CG2-CB 4.37Å; I379-A383 WeakPolarHBondContact O-CB 3.48Å; I379-A383 PolarHBondContact O-N 3.36Å; I379-K438 HydrophobicContact CG2-CB 3.97Å; I379-K438 HydrophobicContact CG2-CD 4.23Å; I379-K438 HydrophobicContact CG2-CG 3.96Å; I379-K438 PolarHBondContact O-NZ 3.07Å; I379-L441 HydrophobicContact CD1-CD2 4.2Å; I379-L441 HydrophobicContact CD1-CG 4.16Å; I379-L441 HydrophobicContact CG1-CD2 4.33Å; I379-L441 HydrophobicContact CG2-CD2 4.06Å; I379-I442 HydrophobicContact CB-CD1 4.42Å; I379-I442 HydrophobicContact CB-CG1 4.09Å; I379-I442 HydrophobicContact CD1-CB 4.49Å; I379-I442 HydrophobicContact CD1-CG1 3.59Å; I379-I442 HydrophobicContact CG1-CG1 4.46Å; I379-I442 HydrophobicContact CG2-CD1 4.25Å; I379-I442 HydrophobicContact CG2-CG1 4.03Å; I379-L445 HydrophobicContact CD1-CD1 3.88Å
380N93.5Very high93.8Very high68 Ų6864.9 Ų64.936%0.36433%0.329SS..Hα-helixtrans-66.2-41.3-178.3-73.3-22.9000112.9K376 K438K376-N380 WeakPolarHBondContact O-CB 3.43Å; K376-N380 VanDerWaalsContact O-CG 3.32Å; K376-N380 PolarHBondContact O-N 2.88Å; K376-N380 PolarHBondContact O-ND2 3.13Å; N380-K438 PolarHBondContact O-NZ 2.97Å
381K91.6Very high93.7Very high160 Ų16068.1 Ų68.170%0.69635%0.349SS*.Hα-helixtrans-88.8-33.2-173.8-67.3-175.4174.3-171.10114.9N377 I379N377-K381 VanDerWaalsContact O-CB 3.26Å; N377-K381 WeakPolarHBondContact O-CB 3.5Å; N377-K381 WeakPolarHBondContact O-CG 3.4Å; N377-K381 PolarHBondContact O-N 3.38Å; I379-K381 PolarHBondContact O-N 2.62Å
382H92.4Very high93.6Very high68 Ų6871.8 Ų71.832%0.31536%0.362SS..Hα-helixtrans-117.6-24.2-167.4-55.6-53.4000113.8L350 K378 F384L350-H382 CarbonylContact C-O 3.33Å; L350-H382 HydrophobicContact CB-CB 4.14Å; L350-H382 HydrophobicContact CD1-CB 4.32Å; K378-H382 WeakPolarHBondContact O-CA 3.31Å; K378-H382 WeakPolarHBondContact O-CB 3.46Å; K378-H382 PolarHBondContact O-N 3.05Å; H382-F384 PolarHBondContact O-N 2.6Å
383A93.2Very high93.5Very high5 Ų572.3 Ų72.34%0.04136%0.358CS..SBendtrans-65.6118.6177.300000110.3L350 K378 I379 K438L350-A383 HydrophobicContact CD2-CB 3.94Å; L350-A383 CarbonylContact O-C 3.5Å; L350-A383 VanDerWaalsContact O-CA 3.24Å; L350-A383 WeakPolarHBondContact O-CA 3.43Å; K378-A383 PolarHBondContact O-N 3.06Å; I379-A383 HydrophobicContact CG2-CB 4.37Å; I379-A383 WeakPolarHBondContact O-CB 3.48Å; I379-A383 PolarHBondContact O-N 3.36Å; A383-K438 PolarHBondContact O-NZ 2.96Å
384F94.1Very high93.3Very high89 Ų8965.3 Ų65.339%0.3933%0.328SS..PPolyproline II helixtrans-60.5137.4177.1176.9-92.7000111L350 Q351 H382 V403 V405L350-F384 PolarHBondContact O-N 2.99Å; Q351-F384 WeakPolarHBondContact O-CB 3.19Å; H382-F384 PolarHBondContact O-N 2.6Å; F384-V403 VanDerWaalsContact CD1-O 3.24Å; F384-V403 WeakPolarHBondContact CD1-O 3.48Å; F384-V403 HydrophobicContact CE1-CB 4.22Å; F384-V403 HydrophobicContact CE1-CG2 4.11Å; F384-V405 HydrophobicContact CB-CG2 3.86Å; F384-V405 PolarHBondContact O-N 3.14Å
385S94Very high93.2Very high40 Ų4066.9 Ų66.928%0.2833%0.33SS..PPolyproline II helixtrans-103.5128.6-177.5169.30000110G387 D404 T434S385-G387 VanDerWaalsContact C-N 3.27Å; S385-G387 PolarHBondContact OG-N 3.04Å; S385-D404 WeakPolarHBondContact CA-OD2 3.32Å; S385-T434 VanDerWaalsContact OG-CG2 3.25Å; S385-T434 WeakPolarHBondContact OG-CG2 3.25Å; S385-T434 PolarHBondContact OG-OG1 3.46Å
386G92.6Very high93.2Very high9 Ų973.9 Ų73.99%0.09336%0.361CS..  trans-84.80.7166.900000113.7N400 D404G386-N400 PolarHBondContact O-N 3.19Å; G386-D404 PolarHBondContact N-OD2 3.08Å
387G92.1Very high93.1Very high14 Ų1475.5 Ų75.514%0.14437%0.365CS..SBendtrans-74.9171.5175.700000113.5S385 H394 Y427S385-G387 VanDerWaalsContact C-N 3.27Å; S385-G387 PolarHBondContact OG-N 3.04Å; G387-H394 WeakPolarHBondContact CA-CE1 3.29Å; G387-H394 WeakPolarHBondContact CA-ND1 3.07Å; G387-Y427 WeakPolarHBondContact CA-OH 3.47Å; G387-Y427 PolarHBondContact N-OH 2.83Å
388K91.9Very high93Very high100 Ų10072.4 Ų72.444%0.43535%0.349SS..  trans-80.9161.1172.6-53.9-59.4178.6-1780112.5T390 E393 H394K388-T390 VanDerWaalsContact C-N 3.35Å; K388-T390 PolarHBondContact O-N 3.34Å; K388-E393 HydrophobicContact CB-CB 3.66Å; K388-E393 HydrophobicContact CG-CB 4.01Å; K388-H394 HydrophobicContact CB-CB 4.14Å; K388-H394 PolarHBondContact N-ND1 3.23Å
389D90.6Very high93Very high164 Ų16471.3 Ų71.388%0.87735%0.346SS*.SBendtrans-67.5-35.2-176.7-65.1-33.3000112.5
390T92Very high93Very high59 Ų5974.6 Ų74.636%0.36236%0.363SS..SBendtrans-111.4152178.565.60000111.8K388 E392 E393 H394K388-T390 VanDerWaalsContact C-N 3.35Å; K388-T390 PolarHBondContact O-N 3.34Å; T390-E392 VanDerWaalsContact C-N 3.27Å; T390-E392 PolarHBondContact O-N 2.81Å; T390-E393 PolarHBondContact O-N 3.36Å; T390-E393 VanDerWaalsContact OG1-CB 3.28Å; T390-E393 WeakPolarHBondContact OG1-CB 3.32Å; T390-E393 VanDerWaalsContact OG1-CD 3.28Å; T390-E393 WeakPolarHBondContact OG1-CG 3.18Å; T390-E393 PolarHBondContact OG1-N 2.82Å; T390-E393 PolarHBondContact OG1-OE2 3.42Å; T390-H394 WeakPolarHBondContact O-CB 3.45Å; T390-H394 PolarHBondContact O-N 3.32Å
391V93.1Very high93Very high77 Ų7771.7 Ų71.747%0.46735%0.348SS..Hα-helixtrans-63.5-39.1177.6174.30000110H394 R395 L433V391-H394 PolarHBondContact O-N 3.4Å; V391-R395 HydrophobicContact CG1-CG 4.14Å; V391-R395 WeakPolarHBondContact O-CB 3.44Å; V391-R395 VanDerWaalsContact O-CG 3.25Å; V391-R395 WeakPolarHBondContact O-CG 3.44Å; V391-R395 PolarHBondContact O-N 3.42Å; V391-L433 HydrophobicContact CG1-CD1 4.34Å; V391-L433 HydrophobicContact CG1-CD2 4.08Å
392E93.1Very high92.8Very high141 Ų14168.2 Ų68.266%0.65934%0.338SS*.Hα-helixtrans-60.7-47179.2-64.773.5-162.300111.5T390 H394 R395 K396T390-E392 VanDerWaalsContact C-N 3.27Å; T390-E392 PolarHBondContact O-N 2.81Å; E392-H394 VanDerWaalsContact C-N 3.35Å; E392-R395 PolarHBondContact O-N 2.96Å; E392-K396 WeakPolarHBondContact O-CB 3.46Å; E392-K396 PolarHBondContact O-N 3.17Å; E392-K396 VanDerWaalsContact O-N 3.11Å
393E93.4Very high92.8Very high81 Ų8165.9 Ų65.938%0.37933%0.328SS..Hα-helixtrans-67.1-37.6175.3-71.6172.4137.500111.8K388 T390 K396 Y397K388-E393 HydrophobicContact CB-CB 3.66Å; K388-E393 HydrophobicContact CG-CB 4.01Å; T390-E393 PolarHBondContact O-N 3.36Å; T390-E393 VanDerWaalsContact OG1-CB 3.28Å; T390-E393 WeakPolarHBondContact OG1-CB 3.32Å; T390-E393 VanDerWaalsContact OG1-CD 3.28Å; T390-E393 WeakPolarHBondContact OG1-CG 3.18Å; T390-E393 PolarHBondContact OG1-N 2.82Å; T390-E393 PolarHBondContact OG1-OE2 3.42Å; E393-K396 PolarHBondContact O-N 2.78Å; E393-Y397 HydrophobicContact CB-CD2 4.17Å; E393-Y397 HydrophobicContact CG-CD2 4.49Å; E393-Y397 HydrophobicContact CG-CE2 4.41Å; E393-Y397 WeakPolarHBondContact O-CB 3.45Å; E393-Y397 WeakPolarHBondContact O-CD2 3.12Å; E393-Y397 PolarHBondContact O-N 2.95Å
394H93.8Very high92.9Very high5 Ų565.7 Ų65.72%0.02333%0.326CS..Hα-helixtrans-64.2-43.7178-161.1108.7000111.2G387 K388 T390 V391 E392 K396 G398 Y427 G430 L432 L433 T434G387-H394 WeakPolarHBondContact CA-CE1 3.29Å; G387-H394 WeakPolarHBondContact CA-ND1 3.07Å; K388-H394 HydrophobicContact CB-CB 4.14Å; K388-H394 PolarHBondContact N-ND1 3.23Å; T390-H394 WeakPolarHBondContact O-CB 3.45Å; T390-H394 PolarHBondContact O-N 3.32Å; V391-H394 PolarHBondContact O-N 3.4Å; E392-H394 VanDerWaalsContact C-N 3.35Å; H394-K396 VanDerWaalsContact C-N 3.25Å; H394-K396 PolarHBondContact O-N 2.76Å; H394-G398 WeakPolarHBondContact O-CA 3.29Å; H394-G398 PolarHBondContact O-N 3.18Å; H394-Y427 AromaticContact CE1-CE2 3.44Å; H394-Y427 VanDerWaalsContact CE1-CE2 3.44Å; H394-Y427 WeakPolarHBondContact CE1-CE2 3.4Å; H394-Y427 AromaticContact CE1-CZ 3.96Å; H394-Y427 AromaticContact NE2-CD2 3.85Å; H394-Y427 AromaticContact NE2-CE2 3.58Å; H394-G430 WeakPolarHBondContact O-CA 3.46Å; H394-L432 PolarHBondContact NE2-O 2.89Å; H394-L432 VanDerWaalsContact NE2-O 3.13Å; H394-L433 HydrophobicContact CB-CD2 4.43Å; H394-T434 PolarHBondContact CE1-OG1 2.77Å
395R92.9Very high92.9Very high119 Ų11961.4 Ų61.445%0.44931%0.308SS..Hα-helixtrans-64.2-30.4175.3-68.6-60.7-174.9-173.2-1.3112.5V391 E392 G430 A431V391-R395 HydrophobicContact CG1-CG 4.14Å; V391-R395 WeakPolarHBondContact O-CB 3.44Å; V391-R395 VanDerWaalsContact O-CG 3.25Å; V391-R395 WeakPolarHBondContact O-CG 3.44Å; V391-R395 PolarHBondContact O-N 3.42Å; E392-R395 PolarHBondContact O-N 2.96Å; R395-G430 WeakPolarHBondContact CD-O 3.13Å; R395-G430 PolarHBondContact NH1-O 3.04Å; R395-A431 PolarHBondContact NH1-O 2.74Å
396K93.2Very high92.9Very high149 Ų14959.5 Ų59.565%0.64829%0.294SS*.Hα-helixtrans-86.8-41.9-176.7-175.1177.4178.2-171.10113.7E392 E393 H394E392-K396 WeakPolarHBondContact O-CB 3.46Å; E392-K396 PolarHBondContact O-N 3.17Å; E392-K396 VanDerWaalsContact O-N 3.11Å; E393-K396 PolarHBondContact O-N 2.78Å; H394-K396 VanDerWaalsContact C-N 3.25Å; H394-K396 PolarHBondContact O-N 2.76Å
397Y93.3Very high93.1Very high142 Ų14260 Ų6056%0.55729%0.294SS*.Hα-helixtrans-111.9-10.5-171.8-58.7-62.5000113.8E393E393-Y397 HydrophobicContact CB-CD2 4.17Å; E393-Y397 HydrophobicContact CG-CD2 4.49Å; E393-Y397 HydrophobicContact CG-CE2 4.41Å; E393-Y397 WeakPolarHBondContact O-CB 3.45Å; E393-Y397 WeakPolarHBondContact O-CD2 3.12Å; E393-Y397 PolarHBondContact O-N 2.95Å
398G94.2Very high93.2Very high2 Ų260.6 Ų60.62%0.02129%0.293CS..  trans72173.9-176.800000114.7H394 T428H394-G398 WeakPolarHBondContact O-CA 3.29Å; H394-G398 PolarHBondContact O-N 3.18Å; G398-T428 WeakPolarHBondContact CA-O 3.25Å
399G94.3Very high93.4Very high6 Ų655.8 Ų55.86%0.06227%0.272CS..  trans-95.1150.1172.300000112.7Y427 T428G399-Y427 PolarHBondContact N-O 3.31Å; G399-T428 WeakPolarHBondContact O-CA 3.49Å
400N93.8Very high93.6Very high69 Ų6948 Ų4837%0.36923%0.231SC..  trans-92.9105.1173.9-175.1-2000110.7G386 D402 V403 D404G386-N400 PolarHBondContact O-N 3.19Å; N400-D402 VanDerWaalsContact C-N 3.3Å; N400-D402 PolarHBondContact O-N 3.05Å; N400-D402 WeakPolarHBondContact OD1-CB 3.24Å; N400-D402 PolarHBondContact OD1-N 3.3Å; N400-V403 HydrophobicContact CB-CG2 3.89Å; N400-D404 PolarHBondContact O-N 2.85Å
401A92.7Very high93.8Very high6 Ų646.8 Ų46.85%0.0522%0.223CC..THydrogen-bonded Turntrans-67.1-27.6179.500000113.4V403 D404 F407 R424 Y427A401-V403 PolarHBondContact O-N 3.15Å; A401-D404 PolarHBondContact O-N 3.24Å; A401-F407 HydrophobicContact CB-CD1 3.66Å; A401-F407 HydrophobicContact CB-CD2 4.46Å; A401-F407 HydrophobicContact CB-CE1 3.91Å; A401-F407 HydrophobicContact CB-CG 3.96Å; A401-F407 HydrophobicContact CB-CZ 4.43Å; A401-F407 WeakPolarHBondContact O-CD1 3.17Å; A401-R424 HydrophobicContact CB-CG 4.17Å; A401-Y427 HydrophobicContact CB-CD1 4.35Å
402D89.3Confident93.8Very high88 Ų8843.5 Ų43.547%0.47120%0.203SC..THydrogen-bonded Turntrans-67.8-18-177.7-66.4-6.9000113.4K102 N400 M408K102-D402 HydrophobicContact CD-CB 4.37Å; K102-D402 HydrophobicContact CG-CB 4.4Å; K102-D402 IonicContact NZ-OD2 3.63Å; K102-D402 PolarHBondContact NZ-OD2 3.06Å; N400-D402 VanDerWaalsContact C-N 3.3Å; N400-D402 PolarHBondContact O-N 3.05Å; N400-D402 WeakPolarHBondContact OD1-CB 3.24Å; N400-D402 PolarHBondContact OD1-N 3.3Å; D402-M408 WeakPolarHBondContact O-CE 3.46Å
403V91.3Very high93.9Very high19 Ų1937.3 Ų37.312%0.11517%0.174CC..THydrogen-bonded Turntrans-120-10.4-178.1-57.40000112.3A101 K102 F384 N400 A401 V405A101-V403 HydrophobicContact CB-CG1 4.38Å; K102-V403 HydrophobicContact CG-CG1 3.92Å; F384-V403 VanDerWaalsContact CD1-O 3.24Å; F384-V403 WeakPolarHBondContact CD1-O 3.48Å; F384-V403 HydrophobicContact CE1-CB 4.22Å; F384-V403 HydrophobicContact CE1-CG2 4.11Å; N400-V403 HydrophobicContact CB-CG2 3.89Å; A401-V403 PolarHBondContact O-N 3.15Å; V403-V405 PolarHBondContact O-N 3.3Å
404D94.6Very high93.9Very high0 Ų034.1 Ų34.10%016%0.159CC..  trans-77.8113.9-178.1-167.6-72000110.9S385 G386 N400 A401 S406 F407 M408 Y427 L437S385-D404 WeakPolarHBondContact CA-OD2 3.32Å; G386-D404 PolarHBondContact N-OD2 3.08Å; N400-D404 PolarHBondContact O-N 2.85Å; A401-D404 PolarHBondContact O-N 3.24Å; D404-S406 PolarHBondContact O-N 3.34Å; D404-S406 VanDerWaalsContact OD1-CA 3.29Å; D404-S406 WeakPolarHBondContact OD1-CA 3.33Å; D404-S406 WeakPolarHBondContact OD1-CB 3.35Å; D404-S406 PolarHBondContact OD1-N 2.8Å; D404-S406 PolarHBondContact OD1-OG 2.81Å; D404-F407 HydrophobicContact CB-CB 4.09Å; D404-F407 PolarHBondContact O-N 3.03Å; D404-F407 PolarHBondContact OD1-N 3.48Å; D404-M408 WeakPolarHBondContact O-CG 3.43Å; D404-M408 PolarHBondContact O-N 2.82Å; D404-Y427 HydrophobicContact CB-CE1 3.9Å; D404-Y427 PolarHBondContact OD2-OH 3.27Å; D404-L437 WeakPolarHBondContact OD1-CD2 3.45Å
405V94.4Very high93.8Very high0 Ų040.5 Ų40.50%019%0.189CC..Hα-helixtrans-62.3-30.6-178.2173.20000111.5F384 V403 M408 Y409F384-V405 HydrophobicContact CB-CG2 3.86Å; F384-V405 PolarHBondContact O-N 3.14Å; V403-V405 PolarHBondContact O-N 3.3Å; V405-M408 PolarHBondContact O-N 3.47Å; V405-Y409 HydrophobicContact CG1-CD1 3.98Å; V405-Y409 HydrophobicContact CG1-CE1 3.52Å; V405-Y409 HydrophobicContact CG1-CE2 4.33Å; V405-Y409 VanDerWaalsContact O-CD1 3.25Å; V405-Y409 WeakPolarHBondContact O-CD1 3.14Å; V405-Y409 PolarHBondContact O-N 2.7Å
406S95.6Very high93.8Very high0 Ų038.5 Ų38.50%019%0.187CC..Hα-helixtrans-70.4-43.4-179.8-42.60000110.9D404 Y409 L410 K438D404-S406 PolarHBondContact O-N 3.34Å; D404-S406 VanDerWaalsContact OD1-CA 3.29Å; D404-S406 WeakPolarHBondContact OD1-CA 3.33Å; D404-S406 WeakPolarHBondContact OD1-CB 3.35Å; D404-S406 PolarHBondContact OD1-N 2.8Å; D404-S406 PolarHBondContact OD1-OG 2.81Å; S406-Y409 PolarHBondContact O-N 3.42Å; S406-L410 WeakPolarHBondContact O-CG 3.24Å; S406-L410 PolarHBondContact O-N 3.45Å; S406-K438 WeakPolarHBondContact OG-CG 3.36Å
407F96.1Very high93.7Very high19 Ų1933.9 Ų33.98%0.08317%0.169CC..Hα-helixtrans-64.4-44.3172.9-175.8-98.2000111.4A401 D404 Y409 L410 T411 L420 I423 R424 L437A401-F407 HydrophobicContact CB-CD1 3.66Å; A401-F407 HydrophobicContact CB-CD2 4.46Å; A401-F407 HydrophobicContact CB-CE1 3.91Å; A401-F407 HydrophobicContact CB-CG 3.96Å; A401-F407 HydrophobicContact CB-CZ 4.43Å; A401-F407 WeakPolarHBondContact O-CD1 3.17Å; D404-F407 HydrophobicContact CB-CB 4.09Å; D404-F407 PolarHBondContact O-N 3.03Å; D404-F407 PolarHBondContact OD1-N 3.48Å; F407-Y409 VanDerWaalsContact C-N 3.29Å; F407-Y409 PolarHBondContact O-N 3.04Å; F407-L410 WeakPolarHBondContact O-CB 3.45Å; F407-L410 PolarHBondContact O-N 2.84Å; F407-T411 HydrophobicContact CD1-CG2 4.17Å; F407-T411 HydrophobicContact CE1-CG2 3.83Å; F407-T411 HydrophobicContact CZ-CG2 4.32Å; F407-T411 WeakPolarHBondContact O-CG2 3.35Å; F407-T411 PolarHBondContact O-N 3.08Å; F407-T411 VanDerWaalsContact O-N 3.16Å; F407-L420 HydrophobicContact CE2-CD1 3.94Å; F407-L420 HydrophobicContact CZ-CD1 4.16Å; F407-L420 HydrophobicContact CZ-CG 4.44Å; F407-I423 HydrophobicContact CD2-CG2 4.1Å; F407-I423 HydrophobicContact CE2-CG2 4.21Å; F407-R424 HydrophobicContact CE1-CG 4.21Å; F407-R424 HydrophobicContact CE2-CB 3.65Å; F407-R424 HydrophobicContact CE2-CG 4.04Å; F407-R424 HydrophobicContact CZ-CB 3.56Å; F407-R424 HydrophobicContact CZ-CG 3.57Å; F407-L437 HydrophobicContact CB-CD2 4.18Å; F407-L437 HydrophobicContact CD2-CD1 4.43Å
408M94.3Very high93.7Very high26 Ų2634.9 Ų34.913%0.12818%0.179CC..Hα-helixtrans-53.2-46.9174.6-70.8175.6-178.900111.1P348 A353 D402 D404 V405 L410 T411 F412P348-M408 HydrophobicContact CB-SD 4.19Å; P348-M408 HydrophobicContact CG-CB 3.99Å; P348-M408 HydrophobicContact CG-CG 4.48Å; P348-M408 HydrophobicContact CG-SD 3.7Å; A353-M408 HydrophobicContact CB-CE 3.83Å; A353-M408 HydrophobicContact CB-SD 3.95Å; D402-M408 WeakPolarHBondContact O-CE 3.46Å; D404-M408 WeakPolarHBondContact O-CG 3.43Å; D404-M408 PolarHBondContact O-N 2.82Å; V405-M408 PolarHBondContact O-N 3.47Å; M408-L410 VanDerWaalsContact C-N 3.3Å; M408-L410 PolarHBondContact O-N 3.49Å; M408-T411 PolarHBondContact O-N 3.3Å; M408-T411 VanDerWaalsContact O-N 3.1Å; M408-T411 PolarHBondContact O-OG1 2.86Å; M408-F412 WeakPolarHBondContact O-CD2 3.44Å
409Y95.4Very high93.7Very high0 Ų038.8 Ų38.80%020%0.197CC..Hα-helixtrans-64.8-34.4-179.9-74.614.9000112.8F347 P348 L350 M357 I366 V405 S406 F407 T411 F412 F413 L441 L445F347-Y409 AromaticContact CD1-CE1 3.94Å; F347-Y409 HydrophobicContact CD1-CE1 3.94Å; F347-Y409 AromaticContact CE1-CD1 3.7Å; F347-Y409 HydrophobicContact CE1-CD1 3.7Å; F347-Y409 HydrophobicContact CE1-CD2 4.04Å; F347-Y409 AromaticContact CE1-CE1 3.22Å; F347-Y409 HydrophobicContact CE1-CE1 3.22Å; F347-Y409 AromaticContact CE1-CE2 3.62Å; F347-Y409 HydrophobicContact CE1-CE2 3.62Å; F347-Y409 HydrophobicContact CE1-CG 4.09Å; F347-Y409 AromaticContact CE1-CZ 3.2Å; F347-Y409 AromaticContact CE2-CD1 3.76Å; F347-Y409 HydrophobicContact CE2-CD1 3.76Å; F347-Y409 HydrophobicContact CE2-CE1 4.09Å; F347-Y409 HydrophobicContact CE2-CG 4.11Å; F347-Y409 AromaticContact CZ-CD1 3.2Å; F347-Y409 HydrophobicContact CZ-CD1 3.2Å; F347-Y409 AromaticContact CZ-CD2 3.62Å; F347-Y409 HydrophobicContact CZ-CD2 3.62Å; F347-Y409 AromaticContact CZ-CE1 3.3Å; F347-Y409 HydrophobicContact CZ-CE1 3.3Å; F347-Y409 AromaticContact CZ-CE2 3.71Å; F347-Y409 HydrophobicContact CZ-CE2 3.71Å; F347-Y409 AromaticContact CZ-CG 3.38Å; F347-Y409 HydrophobicContact CZ-CG 3.38Å; F347-Y409 AromaticContact CZ-CZ 3.58Å; P348-Y409 HydrophobicContact CB-CE1 4.5Å; P348-Y409 HydrophobicContact CG-CD1 4.17Å; P348-Y409 HydrophobicContact CG-CE1 3.8Å; P348-Y409 VanDerWaalsContact O-CE1 3.26Å; P348-Y409 WeakPolarHBondContact O-CE1 3.38Å; P348-Y409 PolarHBondContact O-OH 3.06Å; L350-Y409 HydrophobicContact CD2-CE2 3.9Å; M357-Y409 HydrophobicContact CE-CE2 4.2Å; M357-Y409 WeakPolarHBondContact CE-OH 3.4Å; I366-Y409 HydrophobicContact CD1-CD2 4.43Å; I366-Y409 HydrophobicContact CD1-CE2 3.96Å; V405-Y409 HydrophobicContact CG1-CD1 3.98Å; V405-Y409 HydrophobicContact CG1-CE1 3.52Å; V405-Y409 HydrophobicContact CG1-CE2 4.33Å; V405-Y409 VanDerWaalsContact O-CD1 3.25Å; V405-Y409 WeakPolarHBondContact O-CD1 3.14Å; V405-Y409 PolarHBondContact O-N 2.7Å; S406-Y409 PolarHBondContact O-N 3.42Å; F407-Y409 VanDerWaalsContact C-N 3.29Å; F407-Y409 PolarHBondContact O-N 3.04Å; Y409-T411 VanDerWaalsContact C-N 3.27Å; Y409-T411 PolarHBondContact O-N 3.3Å; Y409-F412 PolarHBondContact O-N 3.18Å; Y409-F412 VanDerWaalsContact O-N 3.16Å; Y409-F413 WeakPolarHBondContact O-CD2 3.39Å; Y409-F413 PolarHBondContact O-N 2.99Å; Y409-F413 VanDerWaalsContact O-N 3.15Å; Y409-L441 HydrophobicContact CD2-CD2 4.04Å; Y409-L441 HydrophobicContact CG-CD2 4.38Å; Y409-L445 HydrophobicContact CD2-CD1 4.29Å
410L95.9Very high93.8Very high0 Ų039.3 Ų39.30%020%0.198CC..Hα-helixtrans-62.4-34.8174.3-70.5174.6000111.8S406 F407 M408 F412 F413 L414 L420 I423 L437 I440 L441S406-L410 WeakPolarHBondContact O-CG 3.24Å; S406-L410 PolarHBondContact O-N 3.45Å; F407-L410 WeakPolarHBondContact O-CB 3.45Å; F407-L410 PolarHBondContact O-N 2.84Å; M408-L410 VanDerWaalsContact C-N 3.3Å; M408-L410 PolarHBondContact O-N 3.49Å; L410-F412 PolarHBondContact O-N 3Å; L410-F413 PolarHBondContact O-N 2.82Å; L410-L414 HydrophobicContact CB-CB 4.42Å; L410-L414 HydrophobicContact CD2-CB 4.31Å; L410-L414 VanDerWaalsContact O-CB 3.23Å; L410-L414 WeakPolarHBondContact O-CB 3.15Å; L410-L414 PolarHBondContact O-N 3.11Å; L410-L420 HydrophobicContact CB-CD1 3.85Å; L410-I423 HydrophobicContact CD1-CD1 4.39Å; L410-I423 HydrophobicContact CD1-CG2 4.22Å; L410-L437 HydrophobicContact CD1-CD1 3.6Å; L410-I440 HydrophobicContact CD1-CG2 4.35Å; L410-I440 HydrophobicContact CD2-CG2 4.23Å; L410-L441 HydrophobicContact CD2-CB 4.09Å; L410-L441 HydrophobicContact CD2-CD1 3.92Å; L410-L441 HydrophobicContact CG-CB 4.26Å; L410-L441 HydrophobicContact CG-CD1 4.15Å
411T94.8Very high93.9Very high33 Ų3339.4 Ų39.420%0.20220%0.196CC..Hα-helixtrans-63.4-24.8176.578.90000112.8R141 F407 M408 Y409 L420R141-T411 VanDerWaalsContact CD-O 3.24Å; R141-T411 WeakPolarHBondContact CD-O 3.38Å; R141-T411 PolarHBondContact NH1-O 3.01Å; F407-T411 HydrophobicContact CD1-CG2 4.17Å; F407-T411 HydrophobicContact CE1-CG2 3.83Å; F407-T411 HydrophobicContact CZ-CG2 4.32Å; F407-T411 WeakPolarHBondContact O-CG2 3.35Å; F407-T411 PolarHBondContact O-N 3.08Å; F407-T411 VanDerWaalsContact O-N 3.16Å; M408-T411 PolarHBondContact O-N 3.3Å; M408-T411 VanDerWaalsContact O-N 3.1Å; M408-T411 PolarHBondContact O-OG1 2.86Å; Y409-T411 VanDerWaalsContact C-N 3.27Å; Y409-T411 PolarHBondContact O-N 3.3Å; T411-L420 HydrophobicContact CG2-CD1 4.36Å; T411-L420 HydrophobicContact CG2-CD2 4.23Å
412F94.4Very high94Very high9 Ų945.3 Ų45.34%0.03922%0.221CC..Hα-helixtrans-84.9-40.1174.5-65.6-94.2000112.8R137 F138 V143 I182 F347 M408 Y409 L410R137-F412 PolarHBondContact NE-O 3.34Å; F138-F412 HydrophobicContact CE1-CB 4.18Å; F138-F412 HydrophobicContact CE1-CD1 4.17Å; F138-F412 WeakPolarHBondContact CE1-O 3.33Å; V143-F412 HydrophobicContact CB-CD1 4.5Å; V143-F412 HydrophobicContact CB-CE1 4.3Å; V143-F412 HydrophobicContact CG1-CD1 3.74Å; V143-F412 HydrophobicContact CG1-CE1 3.46Å; V143-F412 VanDerWaalsContact CG1-CE1 3.46Å; V143-F412 HydrophobicContact CG2-CD1 3.92Å; V143-F412 HydrophobicContact CG2-CE1 3.88Å; V143-F412 HydrophobicContact CG2-CZ 4.44Å; I182-F412 HydrophobicContact CD1-CB 4.02Å; I182-F412 HydrophobicContact CD1-CD1 3.63Å; I182-F412 HydrophobicContact CD1-CE1 4.48Å; I182-F412 HydrophobicContact CD1-CG 4.13Å; I182-F412 HydrophobicContact CG1-CD1 4.02Å; I182-F412 HydrophobicContact CG1-CE1 4.4Å; I182-F412 HydrophobicContact CG2-CD1 4.24Å; I182-F412 HydrophobicContact CG2-CE1 4.37Å; F347-F412 HydrophobicContact CD2-CB 4.49Å; F347-F412 AromaticContact CD2-CD1 3.99Å; F347-F412 HydrophobicContact CD2-CD1 3.99Å; F347-F412 AromaticContact CD2-CD2 3.76Å; F347-F412 HydrophobicContact CD2-CD2 3.76Å; F347-F412 HydrophobicContact CD2-CE1 4.07Å; F347-F412 AromaticContact CD2-CE2 3.91Å; F347-F412 HydrophobicContact CD2-CE2 3.91Å; F347-F412 AromaticContact CD2-CG 3.83Å; F347-F412 HydrophobicContact CD2-CG 3.83Å; F347-F412 HydrophobicContact CD2-CZ 4.06Å; F347-F412 HydrophobicContact CE2-CB 4.06Å; F347-F412 HydrophobicContact CE2-CD1 4.39Å; F347-F412 AromaticContact CE2-CD2 3.63Å; F347-F412 HydrophobicContact CE2-CD2 3.63Å; F347-F412 HydrophobicContact CE2-CE2 4.17Å; F347-F412 AromaticContact CE2-CG 3.79Å; F347-F412 HydrophobicContact CE2-CG 3.79Å; M408-F412 WeakPolarHBondContact O-CD2 3.44Å; Y409-F412 PolarHBondContact O-N 3.18Å; Y409-F412 VanDerWaalsContact O-N 3.16Å; L410-F412 PolarHBondContact O-N 3Å
413F94.3Very high94.3Very high11 Ų1141.6 Ų41.65%0.04820%0.201CC..Hα-helixtrans-112.9-24.2-163.2-61.5-56.7000116V178 I182 I185 F347 Y409 L410 E415 T444 L445 M448V178-F413 HydrophobicContact CB-CE2 4.29Å; V178-F413 HydrophobicContact CB-CZ 4.01Å; I182-F413 HydrophobicContact CD1-CE1 3.7Å; I182-F413 HydrophobicContact CD1-CZ 3.72Å; I185-F413 HydrophobicContact CD1-CE1 4.39Å; F347-F413 HydrophobicContact CE2-CD2 4.27Å; F347-F413 AromaticContact CE2-CE2 3.43Å; F347-F413 HydrophobicContact CE2-CE2 3.43Å; F347-F413 VanDerWaalsContact CE2-CE2 3.43Å; F347-F413 AromaticContact CE2-CZ 3.9Å; F347-F413 HydrophobicContact CE2-CZ 3.9Å; F347-F413 HydrophobicContact CZ-CD2 4.39Å; F347-F413 AromaticContact CZ-CE2 3.46Å; F347-F413 HydrophobicContact CZ-CE2 3.46Å; F347-F413 VanDerWaalsContact CZ-CE2 3.46Å; F347-F413 HydrophobicContact CZ-CZ 4.14Å; Y409-F413 WeakPolarHBondContact O-CD2 3.39Å; Y409-F413 PolarHBondContact O-N 2.99Å; Y409-F413 VanDerWaalsContact O-N 3.15Å; L410-F413 PolarHBondContact O-N 2.82Å; F413-E415 PolarHBondContact O-N 3.2Å; F413-T444 HydrophobicContact CB-CG2 4.1Å; F413-L445 HydrophobicContact CB-CD2 4.35Å; F413-L445 HydrophobicContact CD2-CD2 3.44Å; F413-L445 VanDerWaalsContact CD2-CD2 3.44Å; F413-L445 HydrophobicContact CE2-CD2 3.79Å; F413-L445 HydrophobicContact CG-CD2 4Å; F413-M448 HydrophobicContact CB-CE 3.71Å; F413-M448 HydrophobicContact CD1-CE 3.04Å; F413-M448 HydrophobicContact CD1-SD 4.35Å; F413-M448 HydrophobicContact CD2-CE 3.94Å; F413-M448 HydrophobicContact CE1-CE 3.47Å; F413-M448 VanDerWaalsContact CE1-CE 3.47Å; F413-M448 HydrophobicContact CE1-SD 4.31Å; F413-M448 HydrophobicContact CE2-CE 4.26Å; F413-M448 HydrophobicContact CG-CE 3.29Å; F413-M448 HydrophobicContact CZ-CE 4.06Å
414L94.3Very high94.6Very high14 Ų1445 Ų457%0.07321%0.212CC..  trans-72.6123.8173.9-172.363.5000108.8R141 L410 Q419 L420 I423R141-L414 PolarHBondContact NH1-O 3.2Å; R141-L414 PolarHBondContact NH2-O 2.81Å; L410-L414 HydrophobicContact CB-CB 4.42Å; L410-L414 HydrophobicContact CD2-CB 4.31Å; L410-L414 VanDerWaalsContact O-CB 3.23Å; L410-L414 WeakPolarHBondContact O-CB 3.15Å; L410-L414 PolarHBondContact O-N 3.11Å; L414-Q419 HydrophobicContact CD2-CB 4.27Å; L414-Q419 HydrophobicContact CD2-CG 4.14Å; L414-L420 HydrophobicContact CD2-CB 4.05Å; L414-L420 HydrophobicContact CD2-CD1 4.21Å; L414-I423 HydrophobicContact CD2-CD1 3.77Å
415E90.4Very high94.6Very high139 Ų13949.9 Ų49.965%0.6524%0.235SC*.  trans-80.1-30.2-173.7-61.6-162145.200113.9R137 R141 F413R137-E415 IonicContact NH1-OE1 2.74Å; R137-E415 PolarHBondContact NH1-OE1 3.33Å; R141-E415 PolarHBondContact NH2-O 3.49Å; F413-E415 PolarHBondContact O-N 3.2Å
416D93Very high94.7Very high76 Ų7652.5 Ų52.541%0.40625%0.249SC..  trans-81.1118.5-177.3-171.4-28.4000111.1E418 Q419 L420D416-E418 WeakPolarHBondContact OD1-CA 3.45Å; D416-E418 WeakPolarHBondContact OD1-CB 3.45Å; D416-E418 PolarHBondContact OD1-N 3.48Å; D416-Q419 HydrophobicContact CB-CB 3.78Å; D416-Q419 PolarHBondContact OD1-N 3.06Å; D416-L420 WeakPolarHBondContact O-CB 3.26Å; D416-L420 PolarHBondContact O-N 2.96Å; D416-L420 VanDerWaalsContact O-N 3.17Å
417D91.8Very high94.8Very high52 Ų5252.5 Ų52.528%0.27825%0.249SC..Hα-helixtrans-74.2-34.6-179.9-66.2-27.1000111.9R140 R141 L420 E421R140-D417 IonicContact CZ-OD2 3.83Å; R140-D417 VanDerWaalsContact CZ-OD2 3.23Å; R140-D417 IonicContact NE-OD2 3.83Å; R140-D417 PolarHBondContact NE-OD2 3.11Å; R140-D417 IonicContact NH2-OD1 2.67Å; R140-D417 IonicContact NH2-OD2 2.76Å; R140-D417 PolarHBondContact NH2-OD2 3.22Å; R141-D417 IonicContact CZ-OD1 3.68Å; R141-D417 IonicContact NE-OD1 3.69Å; R141-D417 PolarHBondContact NE-OD1 3.23Å; R141-D417 IonicContact NH2-OD1 3.84Å; R141-D417 PolarHBondContact NH2-OD1 2.82Å; D417-L420 PolarHBondContact O-N 3.24Å; D417-E421 WeakPolarHBondContact O-CB 3.37Å; D417-E421 PolarHBondContact O-N 3.22Å
418E93.4Very high94.7Very high164 Ų16454.7 Ų54.777%0.76626%0.264SS*.Hα-helixtrans-70.7-42.1178.6-64.2-177.7-174.900110.4D416 L420 E421 K422D416-E418 WeakPolarHBondContact OD1-CA 3.45Å; D416-E418 WeakPolarHBondContact OD1-CB 3.45Å; D416-E418 PolarHBondContact OD1-N 3.48Å; E418-L420 VanDerWaalsContact C-N 3.34Å; E418-L420 PolarHBondContact O-N 2.83Å; E418-E421 PolarHBondContact O-N 3.29Å; E418-K422 WeakPolarHBondContact O-CB 3.41Å; E418-K422 PolarHBondContact O-N 2.72Å
419Q94.8Very high94.7Very high84 Ų8456.8 Ų56.839%0.39328%0.281SS..Hα-helixtrans-62.7-42174.7-169.3-177.90.800111.4L414 D416 K422 I423L414-Q419 HydrophobicContact CD2-CB 4.27Å; L414-Q419 HydrophobicContact CD2-CG 4.14Å; D416-Q419 HydrophobicContact CB-CB 3.78Å; D416-Q419 PolarHBondContact OD1-N 3.06Å; Q419-K422 PolarHBondContact O-N 2.81Å; Q419-I423 HydrophobicContact CG-CD1 4.05Å; Q419-I423 WeakPolarHBondContact O-CD1 3.35Å; Q419-I423 VanDerWaalsContact O-CG1 3.24Å; Q419-I423 WeakPolarHBondContact O-CG1 3.08Å; Q419-I423 PolarHBondContact O-N 3.32Å
420L95.2Very high94.6Very high16 Ų1656.9 Ų56.98%0.08428%0.282CS..Hα-helixtrans-62-44.8177.6-176.366.6000111.7F407 L410 T411 L414 D416 D417 E418 I423 R424F407-L420 HydrophobicContact CE2-CD1 3.94Å; F407-L420 HydrophobicContact CZ-CD1 4.16Å; F407-L420 HydrophobicContact CZ-CG 4.44Å; L410-L420 HydrophobicContact CB-CD1 3.85Å; T411-L420 HydrophobicContact CG2-CD1 4.36Å; T411-L420 HydrophobicContact CG2-CD2 4.23Å; L414-L420 HydrophobicContact CD2-CB 4.05Å; L414-L420 HydrophobicContact CD2-CD1 4.21Å; D416-L420 WeakPolarHBondContact O-CB 3.26Å; D416-L420 PolarHBondContact O-N 2.96Å; D416-L420 VanDerWaalsContact O-N 3.17Å; D417-L420 PolarHBondContact O-N 3.24Å; E418-L420 VanDerWaalsContact C-N 3.34Å; E418-L420 PolarHBondContact O-N 2.83Å; L420-I423 PolarHBondContact O-N 2.9Å; L420-R424 PolarHBondContact O-N 3.42Å
421E95.2Very high94.6Very high71 Ų7159.4 Ų59.433%0.33230%0.302SS..Hα-helixtrans-66.5-39.5179.2178.253.8-157.900111.7D417 E418 R424 Q425D417-E421 WeakPolarHBondContact O-CB 3.37Å; D417-E421 PolarHBondContact O-N 3.22Å; E418-E421 PolarHBondContact O-N 3.29Å; E421-R424 WeakPolarHBondContact O-CB 3.46Å; E421-R424 PolarHBondContact O-N 2.81Å; E421-R424 IonicContact OE1-CZ 2.88Å; E421-R424 IonicContact OE1-NE 2.73Å; E421-R424 PolarHBondContact OE1-NE 3.2Å; E421-R424 IonicContact OE1-NH2 2.71Å; E421-R424 PolarHBondContact OE1-NH2 3.44Å; E421-R424 IonicContact OE2-CZ 3.57Å; E421-R424 IonicContact OE2-NE 3.97Å; E421-R424 PolarHBondContact OE2-NE 3.5Å; E421-R424 IonicContact OE2-NH2 3.75Å; E421-Q425 WeakPolarHBondContact O-CG 3.37Å; E421-Q425 PolarHBondContact O-N 3.06Å; E421-Q425 PolarHBondContact OE1-NE2 2.85Å
422K96.1Very high94.6Very high130 Ų13058.8 Ų58.857%0.56530%0.298SS*.Hα-helixtrans-60.1-46.7172.4-176.8178.5178.3-177.70111.8E418 Q419 R424 Q425 D426E418-K422 WeakPolarHBondContact O-CB 3.41Å; E418-K422 PolarHBondContact O-N 2.72Å; Q419-K422 PolarHBondContact O-N 2.81Å; K422-R424 VanDerWaalsContact C-N 3.26Å; K422-R424 PolarHBondContact O-N 2.95Å; K422-Q425 PolarHBondContact O-N 2.92Å; K422-D426 WeakPolarHBondContact O-CB 3.44Å; K422-D426 PolarHBondContact O-N 3.25Å
423I95.9Very high94.7Very high10 Ų1060.2 Ų60.25%0.05131%0.306CS..Hα-helixtrans-58.6-41.2176.3-70.5163.1000110.6F407 L410 L414 Q419 L420 Y427 L432 L437 I440F407-I423 HydrophobicContact CD2-CG2 4.1Å; F407-I423 HydrophobicContact CE2-CG2 4.21Å; L410-I423 HydrophobicContact CD1-CD1 4.39Å; L410-I423 HydrophobicContact CD1-CG2 4.22Å; L414-I423 HydrophobicContact CD2-CD1 3.77Å; Q419-I423 HydrophobicContact CG-CD1 4.05Å; Q419-I423 WeakPolarHBondContact O-CD1 3.35Å; Q419-I423 VanDerWaalsContact O-CG1 3.24Å; Q419-I423 WeakPolarHBondContact O-CG1 3.08Å; Q419-I423 PolarHBondContact O-N 3.32Å; L420-I423 PolarHBondContact O-N 2.9Å; I423-Y427 VanDerWaalsContact O-CB 3.24Å; I423-Y427 WeakPolarHBondContact O-CB 3.48Å; I423-Y427 PolarHBondContact O-N 3.25Å; I423-L432 HydrophobicContact CG2-CD2 3.92Å; I423-L437 HydrophobicContact CG2-CD1 3.5Å; I423-I440 HydrophobicContact CD1-CD1 4.16Å; I423-I440 HydrophobicContact CD1-CG2 3.93Å; I423-I440 HydrophobicContact CG1-CD1 4.18Å
424R95.9Very high94.7Very high91 Ų9160.9 Ų60.934%0.34331%0.31SS..Hα-helixtrans-60.1-50.3176.4-164.8-170.567.2762.1111.2A401 F407 L420 E421 K422 Y427 T428A401-R424 HydrophobicContact CB-CG 4.17Å; F407-R424 HydrophobicContact CE1-CG 4.21Å; F407-R424 HydrophobicContact CE2-CB 3.65Å; F407-R424 HydrophobicContact CE2-CG 4.04Å; F407-R424 HydrophobicContact CZ-CB 3.56Å; F407-R424 HydrophobicContact CZ-CG 3.57Å; L420-R424 PolarHBondContact O-N 3.42Å; E421-R424 WeakPolarHBondContact O-CB 3.46Å; E421-R424 PolarHBondContact O-N 2.81Å; E421-R424 IonicContact OE1-CZ 2.88Å; E421-R424 IonicContact OE1-NE 2.73Å; E421-R424 PolarHBondContact OE1-NE 3.2Å; E421-R424 IonicContact OE1-NH2 2.71Å; E421-R424 PolarHBondContact OE1-NH2 3.44Å; E421-R424 IonicContact OE2-CZ 3.57Å; E421-R424 IonicContact OE2-NE 3.97Å; E421-R424 PolarHBondContact OE2-NE 3.5Å; E421-R424 IonicContact OE2-NH2 3.75Å; K422-R424 VanDerWaalsContact C-N 3.26Å; K422-R424 PolarHBondContact O-N 2.95Å; R424-Y427 PolarHBondContact O-N 3.32Å; R424-T428 WeakPolarHBondContact O-CB 3.38Å; R424-T428 PolarHBondContact O-N 3.4Å; R424-T428 PolarHBondContact O-OG1 3.16Å
425Q96.1Very high94.7Very high103 Ų10362.7 Ų62.748%0.48133%0.333SS..Hα-helixtrans-63.2-44.9-179.9-68.6174.49.800112.1E421 K422 Y427 T428 S429E421-Q425 WeakPolarHBondContact O-CG 3.37Å; E421-Q425 PolarHBondContact O-N 3.06Å; E421-Q425 PolarHBondContact OE1-NE2 2.85Å; K422-Q425 PolarHBondContact O-N 2.92Å; Q425-Y427 VanDerWaalsContact C-N 3.35Å; Q425-Y427 PolarHBondContact O-N 3.08Å; Q425-T428 PolarHBondContact O-N 2.95Å; Q425-S429 WeakPolarHBondContact O-CB 3.37Å; Q425-S429 PolarHBondContact O-N 3.32Å; Q425-S429 PolarHBondContact O-OG 3.14Å
426D96.1Very high94.9Very high55 Ų5560.1 Ų60.129%0.29432%0.321SS..Hα-helixtrans-66.7-37.3179.4-68.8-19.9000111.2K422 S429 G430 A431 L432K422-D426 WeakPolarHBondContact O-CB 3.44Å; K422-D426 PolarHBondContact O-N 3.25Å; D426-S429 WeakPolarHBondContact CA-OG 3.48Å; D426-S429 PolarHBondContact O-OG 3.22Å; D426-S429 VanDerWaalsContact O-OG 3.07Å; D426-G430 PolarHBondContact O-N 2.82Å; D426-A431 HydrophobicContact CB-CB 4.23Å; D426-A431 WeakPolarHBondContact O-CA 3.28Å; D426-A431 PolarHBondContact O-N 3.35Å; D426-L432 HydrophobicContact CB-CB 3.83Å; D426-L432 PolarHBondContact O-N 3.26Å
427Y96.5Very high95.1Very high0 Ų056.5 Ų56.50%030%0.301CS..Hα-helixtrans-70.9-44.6176.2-166.7-123.9000112.3G387 H394 G399 A401 D404 I423 R424 Q425 S429 G430 L432 T434 L437G387-Y427 WeakPolarHBondContact CA-OH 3.47Å; G387-Y427 PolarHBondContact N-OH 2.83Å; H394-Y427 AromaticContact CE1-CE2 3.44Å; H394-Y427 VanDerWaalsContact CE1-CE2 3.44Å; H394-Y427 WeakPolarHBondContact CE1-CE2 3.4Å; H394-Y427 AromaticContact CE1-CZ 3.96Å; H394-Y427 AromaticContact NE2-CD2 3.85Å; H394-Y427 AromaticContact NE2-CE2 3.58Å; G399-Y427 PolarHBondContact N-O 3.31Å; A401-Y427 HydrophobicContact CB-CD1 4.35Å; D404-Y427 HydrophobicContact CB-CE1 3.9Å; D404-Y427 PolarHBondContact OD2-OH 3.27Å; I423-Y427 VanDerWaalsContact O-CB 3.24Å; I423-Y427 WeakPolarHBondContact O-CB 3.48Å; I423-Y427 PolarHBondContact O-N 3.25Å; R424-Y427 PolarHBondContact O-N 3.32Å; Q425-Y427 VanDerWaalsContact C-N 3.35Å; Q425-Y427 PolarHBondContact O-N 3.08Å; Y427-S429 VanDerWaalsContact C-N 3.32Å; Y427-S429 PolarHBondContact O-N 2.89Å; Y427-G430 PolarHBondContact O-N 3.47Å; Y427-G430 VanDerWaalsContact O-N 3.14Å; Y427-L432 WeakPolarHBondContact CD2-O 3.48Å; Y427-T434 PolarHBondContact OH-OG1 3.22Å; Y427-T434 VanDerWaalsContact OH-OG1 3.06Å; Y427-L437 HydrophobicContact CD1-CD2 4.09Å; Y427-L437 HydrophobicContact CD2-CB 4.49Å; Y427-L437 HydrophobicContact CD2-CD2 4.02Å; Y427-L437 HydrophobicContact CE1-CD2 3.84Å; Y427-L437 HydrophobicContact CE2-CB 4.46Å; Y427-L437 HydrophobicContact CE2-CD2 3.8Å; Y427-L437 HydrophobicContact CG-CD2 4.16Å
428T94.9Very high95.3Very high65 Ų6554.9 Ų54.940%0.39929%0.292SS..Hα-helixtrans-68.2-29.6178.9-590000113G398 G399 R424 Q425 G430G398-T428 WeakPolarHBondContact CA-O 3.25Å; G399-T428 WeakPolarHBondContact O-CA 3.49Å; R424-T428 WeakPolarHBondContact O-CB 3.38Å; R424-T428 PolarHBondContact O-N 3.4Å; R424-T428 PolarHBondContact O-OG1 3.16Å; Q425-T428 PolarHBondContact O-N 2.95Å; T428-G430 VanDerWaalsContact C-N 3.32Å
429S95.1Very high95.4Very high70 Ų7053 Ų5349%0.4928%0.281SS..Hα-helixtrans-79.9-13.6173.461.20000113.8Q425 D426 Y427 A431Q425-S429 WeakPolarHBondContact O-CB 3.37Å; Q425-S429 PolarHBondContact O-N 3.32Å; Q425-S429 PolarHBondContact O-OG 3.14Å; D426-S429 WeakPolarHBondContact CA-OG 3.48Å; D426-S429 PolarHBondContact O-OG 3.22Å; D426-S429 VanDerWaalsContact O-OG 3.07Å; Y427-S429 VanDerWaalsContact C-N 3.32Å; Y427-S429 PolarHBondContact O-N 2.89Å; S429-A431 VanDerWaalsContact C-N 3.3Å; S429-A431 PolarHBondContact OG-N 2.93Å
430G93.4Very high95.5Very high2 Ų250.8 Ų50.82%0.02127%0.272CS..THydrogen-bonded Turntrans80.66.8-172.700000114H394 R395 D426 Y427 T428 L432H394-G430 WeakPolarHBondContact O-CA 3.46Å; R395-G430 WeakPolarHBondContact CD-O 3.13Å; R395-G430 PolarHBondContact NH1-O 3.04Å; D426-G430 PolarHBondContact O-N 2.82Å; Y427-G430 PolarHBondContact O-N 3.47Å; Y427-G430 VanDerWaalsContact O-N 3.14Å; T428-G430 VanDerWaalsContact C-N 3.32Å; G430-L432 VanDerWaalsContact C-N 3.31Å
431A95.1Very high95.6Very high52 Ų5250 Ų5043%0.4327%0.268SS..SBendtrans-67.7-31.2173.100000112.5R395 D426 S429R395-A431 PolarHBondContact NH1-O 2.74Å; D426-A431 HydrophobicContact CB-CB 4.23Å; D426-A431 WeakPolarHBondContact O-CA 3.28Å; D426-A431 PolarHBondContact O-N 3.35Å; S429-A431 VanDerWaalsContact C-N 3.3Å; S429-A431 PolarHBondContact OG-N 2.93Å
432L95.3Very high95.6Very high21 Ų2147.2 Ų47.211%0.1126%0.255CS..SBendtrans-104.2127.8174.9-172.873.5000110.2H394 I423 D426 Y427 G430 E436 L437 I440H394-L432 PolarHBondContact NE2-O 2.89Å; H394-L432 VanDerWaalsContact NE2-O 3.13Å; I423-L432 HydrophobicContact CG2-CD2 3.92Å; D426-L432 HydrophobicContact CB-CB 3.83Å; D426-L432 PolarHBondContact O-N 3.26Å; Y427-L432 WeakPolarHBondContact CD2-O 3.48Å; G430-L432 VanDerWaalsContact C-N 3.31Å; L432-E436 HydrophobicContact CD1-CB 3.53Å; L432-E436 HydrophobicContact CG-CB 4.19Å; L432-L437 HydrophobicContact CD2-CB 4.02Å; L432-L437 HydrophobicContact CD2-CD1 4.15Å; L432-I440 HydrophobicContact CD1-CD1 4.34Å; L432-I440 HydrophobicContact CD2-CD1 4.31Å
433L95.6Very high95.6Very high39 Ų3946.2 Ų46.220%0.20425%0.252CS..  trans-83.3155175.4-60.5178000111.4V391 H394 G435 E436 L437V391-L433 HydrophobicContact CG1-CD1 4.34Å; V391-L433 HydrophobicContact CG1-CD2 4.08Å; H394-L433 HydrophobicContact CB-CD2 4.43Å; L433-G435 PolarHBondContact O-N 3.39Å; L433-E436 HydrophobicContact CB-CG 4.34Å; L433-E436 PolarHBondContact N-OE2 2.89Å; L433-E436 WeakPolarHBondContact O-CA 3.45Å; L433-E436 WeakPolarHBondContact O-CB 3.27Å; L433-E436 PolarHBondContact O-N 2.97Å; L433-L437 PolarHBondContact O-N 3.12Å
434T94.5Very high95.6Very high24 Ų2447 Ų4715%0.14726%0.257CS..Hα-helixtrans-54.7-38177-55.50000112.9S385 H394 Y427 E436 L437 K438S385-T434 VanDerWaalsContact OG-CG2 3.25Å; S385-T434 WeakPolarHBondContact OG-CG2 3.25Å; S385-T434 PolarHBondContact OG-OG1 3.46Å; H394-T434 PolarHBondContact CE1-OG1 2.77Å; Y427-T434 PolarHBondContact OH-OG1 3.22Å; Y427-T434 VanDerWaalsContact OH-OG1 3.06Å; T434-E436 VanDerWaalsContact C-N 3.28Å; T434-E436 PolarHBondContact O-N 3.08Å; T434-L437 PolarHBondContact O-N 3.26Å; T434-K438 HydrophobicContact CG2-CD 4.4Å; T434-K438 HydrophobicContact CG2-CG 4.49Å; T434-K438 WeakPolarHBondContact O-CB 3.3Å; T434-K438 WeakPolarHBondContact O-CG 3.47Å; T434-K438 PolarHBondContact O-N 3.26Å
435G94Very high95.6Very high53 Ų5342.6 Ų42.655%0.54624%0.241SC..Hα-helixtrans-63.2-34.4176.900000113.3L433 K439L433-G435 PolarHBondContact O-N 3.39Å; G435-K439 WeakPolarHBondContact O-CB 3.38Å; G435-K439 PolarHBondContact O-N 3.04Å; G435-K439 VanDerWaalsContact O-N 3.11Å
436E95.2Very high95.6Very high85 Ų8540.2 Ų40.240%0.39723%0.23SC..Hα-helixtrans-75.3-42.8177.3-60.8173.4132.200110.7L432 L433 T434 K438 K439 I440L432-E436 HydrophobicContact CD1-CB 3.53Å; L432-E436 HydrophobicContact CG-CB 4.19Å; L433-E436 HydrophobicContact CB-CG 4.34Å; L433-E436 PolarHBondContact N-OE2 2.89Å; L433-E436 WeakPolarHBondContact O-CA 3.45Å; L433-E436 WeakPolarHBondContact O-CB 3.27Å; L433-E436 PolarHBondContact O-N 2.97Å; T434-E436 VanDerWaalsContact C-N 3.28Å; T434-E436 PolarHBondContact O-N 3.08Å; E436-K438 PolarHBondContact O-N 3.09Å; E436-K439 WeakPolarHBondContact O-CB 3.19Å; E436-K439 PolarHBondContact O-N 3.22Å; E436-K439 VanDerWaalsContact O-N 3.1Å; E436-I440 WeakPolarHBondContact O-CG1 3.48Å; E436-I440 PolarHBondContact O-N 3.48Å
437L96.3Very high95.6Very high0 Ų040.5 Ų40.50%023%0.234CC..Hα-helixtrans-55.8-48.7172.317866.4000111.7D404 F407 L410 I423 Y427 L432 L433 T434 K439 I440 L441D404-L437 WeakPolarHBondContact OD1-CD2 3.45Å; F407-L437 HydrophobicContact CB-CD2 4.18Å; F407-L437 HydrophobicContact CD2-CD1 4.43Å; L410-L437 HydrophobicContact CD1-CD1 3.6Å; I423-L437 HydrophobicContact CG2-CD1 3.5Å; Y427-L437 HydrophobicContact CD1-CD2 4.09Å; Y427-L437 HydrophobicContact CD2-CB 4.49Å; Y427-L437 HydrophobicContact CD2-CD2 4.02Å; Y427-L437 HydrophobicContact CE1-CD2 3.84Å; Y427-L437 HydrophobicContact CE2-CB 4.46Å; Y427-L437 HydrophobicContact CE2-CD2 3.8Å; Y427-L437 HydrophobicContact CG-CD2 4.16Å; L432-L437 HydrophobicContact CD2-CB 4.02Å; L432-L437 HydrophobicContact CD2-CD1 4.15Å; L433-L437 PolarHBondContact O-N 3.12Å; T434-L437 PolarHBondContact O-N 3.26Å; L437-K439 VanDerWaalsContact C-N 3.28Å; L437-K439 PolarHBondContact O-N 3.02Å; L437-I440 PolarHBondContact O-N 3.3Å; L437-L441 PolarHBondContact O-N 3.45Å
438K96.7Very high95.5Very high18 Ų1842.3 Ų42.38%0.07824%0.243CC..Hα-helixtrans-60.6-37.7176.2-76.3-173.5179-159.20111.9I379 N380 A383 S406 T434 E436 L441 I442I379-K438 HydrophobicContact CG2-CB 3.97Å; I379-K438 HydrophobicContact CG2-CD 4.23Å; I379-K438 HydrophobicContact CG2-CG 3.96Å; I379-K438 PolarHBondContact O-NZ 3.07Å; N380-K438 PolarHBondContact O-NZ 2.97Å; A383-K438 PolarHBondContact O-NZ 2.96Å; S406-K438 WeakPolarHBondContact OG-CG 3.36Å; T434-K438 HydrophobicContact CG2-CD 4.4Å; T434-K438 HydrophobicContact CG2-CG 4.49Å; T434-K438 WeakPolarHBondContact O-CB 3.3Å; T434-K438 WeakPolarHBondContact O-CG 3.47Å; T434-K438 PolarHBondContact O-N 3.26Å; E436-K438 PolarHBondContact O-N 3.09Å; K438-L441 PolarHBondContact O-N 3.19Å; K438-I442 WeakPolarHBondContact O-CD1 3.4Å; K438-I442 WeakPolarHBondContact O-CG1 3.45Å; K438-I442 PolarHBondContact O-N 3.18Å
439K96.6Very high95.5Very high124 Ų12439.2 Ų39.254%0.53922%0.224SC..Hα-helixtrans-62.4-45.3176.1-175.8-177.4169.6-171.10111.5G435 E436 L437 L441 I442 E443G435-K439 WeakPolarHBondContact O-CB 3.38Å; G435-K439 PolarHBondContact O-N 3.04Å; G435-K439 VanDerWaalsContact O-N 3.11Å; E436-K439 WeakPolarHBondContact O-CB 3.19Å; E436-K439 PolarHBondContact O-N 3.22Å; E436-K439 VanDerWaalsContact O-N 3.1Å; L437-K439 VanDerWaalsContact C-N 3.28Å; L437-K439 PolarHBondContact O-N 3.02Å; K439-L441 VanDerWaalsContact C-N 3.31Å; K439-L441 PolarHBondContact O-N 3.15Å; K439-I442 WeakPolarHBondContact O-CB 3.42Å; K439-I442 PolarHBondContact O-N 3.38Å; K439-E443 WeakPolarHBondContact CE-OE1 3.45Å; K439-E443 IonicContact NZ-OE1 3.2Å; K439-E443 WeakPolarHBondContact O-CG 3.49Å; K439-E443 PolarHBondContact O-N 3.23Å
440I96.3Very high95.6Very high37 Ų3738 Ų3819%0.1922%0.219CC..Hα-helixtrans-59.9-43.4176.2-61.5166.1000110.6L410 I423 L432 E436 L437 I442 E443 T444L410-I440 HydrophobicContact CD1-CG2 4.35Å; L410-I440 HydrophobicContact CD2-CG2 4.23Å; I423-I440 HydrophobicContact CD1-CD1 4.16Å; I423-I440 HydrophobicContact CD1-CG2 3.93Å; I423-I440 HydrophobicContact CG1-CD1 4.18Å; L432-I440 HydrophobicContact CD1-CD1 4.34Å; L432-I440 HydrophobicContact CD2-CD1 4.31Å; E436-I440 WeakPolarHBondContact O-CG1 3.48Å; E436-I440 PolarHBondContact O-N 3.48Å; L437-I440 PolarHBondContact O-N 3.3Å; I440-I442 PolarHBondContact O-N 2.88Å; I440-E443 PolarHBondContact O-N 3.49Å; I440-T444 PolarHBondContact O-N 3.49Å; I440-T444 PolarHBondContact O-OG1 3.5Å
441L96.4Very high95.7Very high0 Ų043.2 Ų43.20%024%0.242CC..Hα-helixtrans-61.7-43.9175.5176.163.8000112.5I379 Y409 L410 L437 K438 K439 E443 T444 L445I379-L441 HydrophobicContact CD1-CD2 4.2Å; I379-L441 HydrophobicContact CD1-CG 4.16Å; I379-L441 HydrophobicContact CG1-CD2 4.33Å; I379-L441 HydrophobicContact CG2-CD2 4.06Å; Y409-L441 HydrophobicContact CD2-CD2 4.04Å; Y409-L441 HydrophobicContact CG-CD2 4.38Å; L410-L441 HydrophobicContact CD2-CB 4.09Å; L410-L441 HydrophobicContact CD2-CD1 3.92Å; L410-L441 HydrophobicContact CG-CB 4.26Å; L410-L441 HydrophobicContact CG-CD1 4.15Å; L437-L441 PolarHBondContact O-N 3.45Å; K438-L441 PolarHBondContact O-N 3.19Å; K439-L441 VanDerWaalsContact C-N 3.31Å; K439-L441 PolarHBondContact O-N 3.15Å; L441-E443 VanDerWaalsContact C-N 3.32Å; L441-E443 PolarHBondContact O-N 3.07Å; L441-T444 PolarHBondContact O-N 3.12Å; L441-T444 VanDerWaalsContact O-N 3.16Å; L441-L445 HydrophobicContact CD1-CD1 3.67Å; L441-L445 HydrophobicContact CD1-CG 3.76Å; L441-L445 HydrophobicContact CD2-CD1 4.41Å; L441-L445 HydrophobicContact CG-CD1 3.91Å; L441-L445 HydrophobicContact CG-CG 4.3Å; L441-L445 PolarHBondContact O-N 2.95Å
442I96.8Very high95.7Very high12 Ų1240.9 Ų40.96%0.06222%0.223CC..Hα-helixtrans-59.8-45.9177.2-70.1157.8000110.4K376 I379 K438 K439 I440 T444 L445 Q446K376-I442 HydrophobicContact CB-CD1 4.32Å; K376-I442 HydrophobicContact CB-CG2 4.27Å; K376-I442 HydrophobicContact CG-CD1 3.95Å; I379-I442 HydrophobicContact CB-CD1 4.42Å; I379-I442 HydrophobicContact CB-CG1 4.09Å; I379-I442 HydrophobicContact CD1-CB 4.49Å; I379-I442 HydrophobicContact CD1-CG1 3.59Å; I379-I442 HydrophobicContact CG1-CG1 4.46Å; I379-I442 HydrophobicContact CG2-CD1 4.25Å; I379-I442 HydrophobicContact CG2-CG1 4.03Å; K438-I442 WeakPolarHBondContact O-CD1 3.4Å; K438-I442 WeakPolarHBondContact O-CG1 3.45Å; K438-I442 PolarHBondContact O-N 3.18Å; K439-I442 WeakPolarHBondContact O-CB 3.42Å; K439-I442 PolarHBondContact O-N 3.38Å; I440-I442 PolarHBondContact O-N 2.88Å; I442-T444 PolarHBondContact O-N 3.35Å; I442-L445 PolarHBondContact O-N 3.32Å; I442-Q446 HydrophobicContact CG2-CG 4Å; I442-Q446 WeakPolarHBondContact O-CB 3.43Å; I442-Q446 VanDerWaalsContact O-CG 3.28Å; I442-Q446 WeakPolarHBondContact O-CG 3.41Å; I442-Q446 PolarHBondContact O-N 3.48Å
443E96Very high95.7Very high110 Ų11042.2 Ų42.251%0.51423%0.228SC..Hα-helixtrans-65.7-24.1178.4-71.9172.9-178.400112.7K439 I440 L441 P447K439-E443 WeakPolarHBondContact CE-OE1 3.45Å; K439-E443 IonicContact NZ-OE1 3.2Å; K439-E443 WeakPolarHBondContact O-CG 3.49Å; K439-E443 PolarHBondContact O-N 3.23Å; I440-E443 PolarHBondContact O-N 3.49Å; L441-E443 VanDerWaalsContact C-N 3.32Å; L441-E443 PolarHBondContact O-N 3.07Å; E443-P447 WeakPolarHBondContact O-CD 3.36Å; E443-P447 WeakPolarHBondContact O-CG 3.46Å
444T95.3Very high95.8Very high25 Ų2544.7 Ų44.715%0.15324%0.239CC..Hα-helixtrans-81.7-44.5174-54.70000112F413 I440 L441 I442 P447F413-T444 HydrophobicContact CB-CG2 4.1Å; I440-T444 PolarHBondContact O-N 3.49Å; I440-T444 PolarHBondContact O-OG1 3.5Å; L441-T444 PolarHBondContact O-N 3.12Å; L441-T444 VanDerWaalsContact O-N 3.16Å; I442-T444 PolarHBondContact O-N 3.35Å; T444-P447 WeakPolarHBondContact O-CD 3.44Å; T444-P447 WeakPolarHBondContact O-CG 3.39Å
445L95.1Very high95.8Very high0 Ų048 Ų480%025%0.249CC..Hα-helixtrans-78.4-38.1-174.2-73.7-178.5000113.9I366 I375 I379 Y409 F413 L441 I442 M448 I449I366-L445 HydrophobicContact CD1-CD1 3.81Å; I375-L445 HydrophobicContact CG2-CB 4.3Å; I379-L445 HydrophobicContact CD1-CD1 3.88Å; Y409-L445 HydrophobicContact CD2-CD1 4.29Å; F413-L445 HydrophobicContact CB-CD2 4.35Å; F413-L445 HydrophobicContact CD2-CD2 3.44Å; F413-L445 VanDerWaalsContact CD2-CD2 3.44Å; F413-L445 HydrophobicContact CE2-CD2 3.79Å; F413-L445 HydrophobicContact CG-CD2 4Å; L441-L445 HydrophobicContact CD1-CD1 3.67Å; L441-L445 HydrophobicContact CD1-CG 3.76Å; L441-L445 HydrophobicContact CD2-CD1 4.41Å; L441-L445 HydrophobicContact CG-CD1 3.91Å; L441-L445 HydrophobicContact CG-CG 4.3Å; L441-L445 PolarHBondContact O-N 2.95Å; I442-L445 PolarHBondContact O-N 3.32Å; L445-M448 HydrophobicContact CD2-CE 3.62Å; L445-M448 PolarHBondContact O-N 2.91Å; L445-I449 HydrophobicContact CB-CD1 4.49Å; L445-I449 WeakPolarHBondContact O-CG1 3.47Å; L445-I449 PolarHBondContact O-N 3.23Å
446Q95.9Very high95.9Very high53 Ų5348.4 Ų48.425%0.24823%0.233CC..Hα-helixtrans-56.3-51.8-179.7-77.1-178.4-12.900113.6P372 I375 I442 M448 A450P372-Q446 HydrophobicContact CB-CG 4.27Å; P372-Q446 PolarHBondContact O-NE2 3.05Å; I375-Q446 HydrophobicContact CD1-CG 4.38Å; I375-Q446 HydrophobicContact CG2-CG 4.32Å; I442-Q446 HydrophobicContact CG2-CG 4Å; I442-Q446 WeakPolarHBondContact O-CB 3.43Å; I442-Q446 VanDerWaalsContact O-CG 3.28Å; I442-Q446 WeakPolarHBondContact O-CG 3.41Å; I442-Q446 PolarHBondContact O-N 3.48Å; Q446-M448 VanDerWaalsContact C-N 3.34Å; Q446-M448 PolarHBondContact O-N 3.34Å; Q446-A450 VanDerWaalsContact O-CB 3.23Å; Q446-A450 WeakPolarHBondContact O-CB 3.42Å; Q446-A450 PolarHBondContact O-N 3.42Å
447P95.8Very high95.9Very high60 Ų6051.6 Ų51.639%0.3925%0.246SC..Hα-helixtrans-66-37.6179.425.3-33.9000111.9E443 T444 A450 Q451E443-P447 WeakPolarHBondContact O-CD 3.36Å; E443-P447 WeakPolarHBondContact O-CG 3.46Å; T444-P447 WeakPolarHBondContact O-CD 3.44Å; T444-P447 WeakPolarHBondContact O-CG 3.39Å; P447-A450 PolarHBondContact O-N 3.41Å; P447-Q451 WeakPolarHBondContact O-CB 3.41Å; P447-Q451 VanDerWaalsContact O-CG 3.22Å; P447-Q451 WeakPolarHBondContact O-CG 3.44Å; P447-Q451 PolarHBondContact O-N 3.45Å
448M94.6Very high95.9Very high38 Ų3858 Ų5819%0.18728%0.276CS..Hα-helixtrans-63-47.8178.6-177.9-125-6800112.1L181 F413 L445 Q446 Q451 H452L181-M448 HydrophobicContact CD1-SD 4.12Å; F413-M448 HydrophobicContact CB-CE 3.71Å; F413-M448 HydrophobicContact CD1-CE 3.04Å; F413-M448 HydrophobicContact CD1-SD 4.35Å; F413-M448 HydrophobicContact CD2-CE 3.94Å; F413-M448 HydrophobicContact CE1-CE 3.47Å; F413-M448 VanDerWaalsContact CE1-CE 3.47Å; F413-M448 HydrophobicContact CE1-SD 4.31Å; F413-M448 HydrophobicContact CE2-CE 4.26Å; F413-M448 HydrophobicContact CG-CE 3.29Å; F413-M448 HydrophobicContact CZ-CE 4.06Å; L445-M448 HydrophobicContact CD2-CE 3.62Å; L445-M448 PolarHBondContact O-N 2.91Å; Q446-M448 VanDerWaalsContact C-N 3.34Å; Q446-M448 PolarHBondContact O-N 3.34Å; M448-Q451 PolarHBondContact O-N 3.33Å; M448-H452 PolarHBondContact O-N 3.18Å
449I95.5Very high95.9Very high1 Ų157.8 Ų57.81%0.00528%0.276CS..Hα-helixtrans-67-40.7177.8-67.1167.6000110.3V178 I366 I375 L445 Q451 H452 Q453V178-I449 HydrophobicContact CG1-CD1 3.9Å; V178-I449 HydrophobicContact CG1-CG1 4.28Å; I366-I449 HydrophobicContact CG2-CD1 3.79Å; I375-I449 HydrophobicContact CD1-CB 4.12Å; I375-I449 HydrophobicContact CD1-CD1 3.53Å; I375-I449 HydrophobicContact CD1-CG1 4.41Å; I375-I449 HydrophobicContact CD1-CG2 4.12Å; I375-I449 HydrophobicContact CG1-CD1 4Å; L445-I449 HydrophobicContact CB-CD1 4.49Å; L445-I449 WeakPolarHBondContact O-CG1 3.47Å; L445-I449 PolarHBondContact O-N 3.23Å; I449-Q451 PolarHBondContact O-N 2.99Å; I449-H452 WeakPolarHBondContact O-CB 3.47Å; I449-H452 PolarHBondContact O-N 3.48Å; I449-Q453 HydrophobicContact CG2-CG 4.28Å; I449-Q453 WeakPolarHBondContact O-CB 3.3Å; I449-Q453 VanDerWaalsContact O-CG 3.29Å; I449-Q453 WeakPolarHBondContact O-CG 3.5Å; I449-Q453 PolarHBondContact O-N 3.19Å
450A96.4Very high95.9Very high45 Ų4555.6 Ų55.637%0.37227%0.273SS..Hα-helixtrans-61.4-42.4176.700000112.3Q446 P447 Q453 E454Q446-A450 VanDerWaalsContact O-CB 3.23Å; Q446-A450 WeakPolarHBondContact O-CB 3.42Å; Q446-A450 PolarHBondContact O-N 3.42Å; P447-A450 PolarHBondContact O-N 3.41Å; A450-Q453 PolarHBondContact O-N 3.32Å; A450-E454 WeakPolarHBondContact O-CB 3.36Å; A450-E454 PolarHBondContact O-N 3.28Å
451Q95.7Very high95.8Very high110 Ų11059 Ų5951%0.51429%0.292SS..Hα-helixtrans-64.5-40.1174.8-74.2175.213.800112.2P447 M448 I449 E454 R455P447-Q451 WeakPolarHBondContact O-CB 3.41Å; P447-Q451 VanDerWaalsContact O-CG 3.22Å; P447-Q451 WeakPolarHBondContact O-CG 3.44Å; P447-Q451 PolarHBondContact O-N 3.45Å; M448-Q451 PolarHBondContact O-N 3.33Å; I449-Q451 PolarHBondContact O-N 2.99Å; Q451-E454 PolarHBondContact O-N 2.96Å; Q451-R455 WeakPolarHBondContact O-CG 3.33Å; Q451-R455 PolarHBondContact O-N 3.04Å
452H95.9Very high95.8Very high4 Ų465.1 Ų65.12%0.01933%0.325CS..Hα-helixtrans-62-46.9174.1179.695.4000111.3D228 L368 M448 I449 E454 R455 R456D228-H452 PolarHBondContact O-CE1 3.04Å; D228-H452 IonicContact OD1-NE2 2.66Å; L368-H452 WeakPolarHBondContact CD1-NE2 3.49Å; M448-H452 PolarHBondContact O-N 3.18Å; I449-H452 WeakPolarHBondContact O-CB 3.47Å; I449-H452 PolarHBondContact O-N 3.48Å; H452-E454 VanDerWaalsContact C-N 3.29Å; H452-E454 PolarHBondContact O-N 3.06Å; H452-R455 PolarHBondContact O-N 2.97Å; H452-R456 WeakPolarHBondContact O-CB 3.46Å; H452-R456 PolarHBondContact O-N 3.17Å
453Q95.6Very high95.7Very high48 Ų4866.7 Ų66.722%0.22433%0.333CS..Hα-helixtrans-58.9-40.7176.2-72.2171.5-2.400111.7L368 D370 I449 A450 R456 K457L368-Q453 VanDerWaalsContact O-CG 3.27Å; L368-Q453 WeakPolarHBondContact O-CG 3.38Å; L368-Q453 PolarHBondContact O-NE2 2.96Å; D370-Q453 PolarHBondContact O-NE2 3.18Å; I449-Q453 HydrophobicContact CG2-CG 4.28Å; I449-Q453 WeakPolarHBondContact O-CB 3.3Å; I449-Q453 VanDerWaalsContact O-CG 3.29Å; I449-Q453 WeakPolarHBondContact O-CG 3.5Å; I449-Q453 PolarHBondContact O-N 3.19Å; A450-Q453 PolarHBondContact O-N 3.32Å; Q453-R456 PolarHBondContact O-N 3.48Å; Q453-K457 WeakPolarHBondContact O-CG 3.42Å; Q453-K457 PolarHBondContact O-N 3.34Å
454E96.7Very high95.8Very high91 Ų9161.6 Ų61.643%0.42531%0.309SS..Hα-helixtrans-67.3-43.7178.4-168.254.6-14800112.2A450 Q451 H452 R456 K457 Q458A450-E454 WeakPolarHBondContact O-CB 3.36Å; A450-E454 PolarHBondContact O-N 3.28Å; Q451-E454 PolarHBondContact O-N 2.96Å; H452-E454 VanDerWaalsContact C-N 3.29Å; H452-E454 PolarHBondContact O-N 3.06Å; E454-R456 VanDerWaalsContact C-N 3.33Å; E454-R456 PolarHBondContact O-N 3.13Å; E454-K457 PolarHBondContact O-N 3.06Å; E454-K457 IonicContact OE2-NZ 3.73Å; E454-K457 PolarHBondContact OE2-NZ 2.98Å; E454-Q458 PolarHBondContact O-N 3.29Å
455R95.7Very high95.8Very high95 Ų9567.2 Ų67.236%0.35833%0.332SS..Hα-helixtrans-61.6-41.8172.3-72.1-171.5-63.8-92.4-0.7111.7A231 Q451 H452 K457 Q458 V459A231-R455 HydrophobicContact CB-CB 4.2Å; A231-R455 PolarHBondContact O-NE 3.02Å; Q451-R455 WeakPolarHBondContact O-CG 3.33Å; Q451-R455 PolarHBondContact O-N 3.04Å; H452-R455 PolarHBondContact O-N 2.97Å; R455-K457 VanDerWaalsContact C-N 3.32Å; R455-K457 PolarHBondContact O-N 2.93Å; R455-Q458 WeakPolarHBondContact O-CB 3.29Å; R455-Q458 PolarHBondContact O-N 3.28Å; R455-Q458 VanDerWaalsContact O-N 3.08Å; R455-V459 PolarHBondContact O-N 3.38Å
456R95.7Very high95.8Very high60 Ų6071.7 Ų71.723%0.22635%0.352CS..Hα-helixtrans-61.2-38178.4-166.5-167.9-172.1-81.90.4112.5E224 K227 D228 A231 H452 Q453 E454 Q458 V459E224-R456 PolarHBondContact O-NH2 3.44Å; E224-R456 IonicContact OE2-CZ 2.66Å; E224-R456 IonicContact OE2-NH1 3.44Å; E224-R456 IonicContact OE2-NH2 2.93Å; E224-R456 PolarHBondContact OE2-NH2 2.99Å; K227-R456 HydrophobicContact CB-CG 4.34Å; D228-R456 WeakPolarHBondContact OD1-CD 3.38Å; D228-R456 IonicContact OD1-CZ 2.84Å; D228-R456 IonicContact OD1-NE 3.31Å; D228-R456 PolarHBondContact OD1-NE 2.87Å; D228-R456 IonicContact OD1-NH2 2.69Å; A231-R456 HydrophobicContact CB-CB 3.76Å; A231-R456 HydrophobicContact CB-CG 4.31Å; H452-R456 WeakPolarHBondContact O-CB 3.46Å; H452-R456 PolarHBondContact O-N 3.17Å; Q453-R456 PolarHBondContact O-N 3.48Å; E454-R456 VanDerWaalsContact C-N 3.33Å; E454-R456 PolarHBondContact O-N 3.13Å; R456-Q458 PolarHBondContact O-N 2.91Å; R456-V459 WeakPolarHBondContact O-CB 3.49Å; R456-V459 PolarHBondContact O-N 2.92Å; R456-V459 VanDerWaalsContact O-N 3.08Å
457K95.6Very high95.9Very high153 Ų15369.3 Ų69.367%0.66534%0.342SS*.Hα-helixtrans-62.6-28.2175.5-71.4172.4-161.8161.80113.1Q453 E454 R455 V459Q453-K457 WeakPolarHBondContact O-CG 3.42Å; Q453-K457 PolarHBondContact O-N 3.34Å; E454-K457 PolarHBondContact O-N 3.06Å; E454-K457 IonicContact OE2-NZ 3.73Å; E454-K457 PolarHBondContact OE2-NZ 2.98Å; R455-K457 VanDerWaalsContact C-N 3.32Å; R455-K457 PolarHBondContact O-N 2.93Å; K457-V459 VanDerWaalsContact C-N 3.26Å
458Q95.6Very high96Very high133 Ų13367.7 Ų67.762%0.62133%0.329SS*.THydrogen-bonded Turntrans-80.1-9.9177.8-61.3173.76.700112.3E454 R455 R456 T460E454-Q458 PolarHBondContact O-N 3.29Å; R455-Q458 WeakPolarHBondContact O-CB 3.29Å; R455-Q458 PolarHBondContact O-N 3.28Å; R455-Q458 VanDerWaalsContact O-N 3.08Å; R456-Q458 PolarHBondContact O-N 2.91Å; Q458-T460 PolarHBondContact O-N 3.46Å
459V96.4Very high96.1Very high15 Ų1568.8 Ų68.89%0.09134%0.338CS..  trans-78.4103.4177.4-1770000109.6K227 I230 R455 R456 K457 L463 V464K227-V459 HydrophobicContact CB-CG1 4.25Å; K227-V459 HydrophobicContact CG-CG1 3.96Å; I230-V459 HydrophobicContact CB-CG1 4.33Å; I230-V459 HydrophobicContact CB-CG2 4.2Å; I230-V459 HydrophobicContact CD1-CG1 4.14Å; I230-V459 HydrophobicContact CG2-CG1 4.11Å; I230-V459 HydrophobicContact CG2-CG2 3.71Å; R455-V459 PolarHBondContact O-N 3.38Å; R456-V459 WeakPolarHBondContact O-CB 3.49Å; R456-V459 PolarHBondContact O-N 2.92Å; R456-V459 VanDerWaalsContact O-N 3.08Å; K457-V459 VanDerWaalsContact C-N 3.26Å; V459-L463 HydrophobicContact CB-CD2 4.46Å; V459-L463 HydrophobicContact CG1-CD2 4.21Å; V459-L463 HydrophobicContact CG2-CD2 4.4Å; V459-V464 HydrophobicContact CG1-CG2 3.55Å
460T96.1Very high96.1Very high77 Ų7771.6 Ų71.647%0.47236%0.356SS..  trans-80.4159174.263.70000111.2Q458 D462 L463 V464Q458-T460 PolarHBondContact O-N 3.46Å; T460-D462 PolarHBondContact O-N 3.25Å; T460-L463 WeakPolarHBondContact O-CB 3.44Å; T460-L463 PolarHBondContact O-N 2.93Å; T460-L463 WeakPolarHBondContact OG1-CB 3.37Å; T460-L463 PolarHBondContact OG1-N 3.22Å; T460-L463 VanDerWaalsContact OG1-N 3.16Å; T460-V464 PolarHBondContact O-N 3.48Å
461D94.5Very high96.1Very high109 Ų10971.4 Ų71.458%0.58335%0.346SS*.Hα-helixtrans-62.3-32175.6-63.6-30.7000111.7K227 L463 V464 K465K227-D461 VanDerWaalsContact CE-OD1 3.3Å; K227-D461 WeakPolarHBondContact CE-OD1 3.32Å; K227-D461 IonicContact NZ-OD1 3.52Å; K227-D461 PolarHBondContact NZ-OD1 3.35Å; D461-L463 VanDerWaalsContact C-N 3.35Å; D461-V464 PolarHBondContact O-N 2.95Å; D461-K465 WeakPolarHBondContact O-CB 3.2Å; D461-K465 PolarHBondContact O-N 3.06Å
462D96Very high95.9Very high128 Ų12871.3 Ų71.368%0.68436%0.355SS*.Hα-helixtrans-63.1-40171.9-72.3-28.1000112.1T460 K465 Q466T460-D462 PolarHBondContact O-N 3.25Å; D462-K465 PolarHBondContact O-N 2.92Å; D462-Q466 WeakPolarHBondContact O-CB 3.47Å; D462-Q466 PolarHBondContact O-N 3.43Å
463L95.9Very high95.8Very high45 Ų4571.8 Ų71.824%0.23636%0.357CS..Hα-helixtrans-64.6-47176.2-173.964000110.6I230 I236 V459 T460 D461 K465 Q466 F467I230-L463 HydrophobicContact CG2-CD2 3.99Å; I230-L463 HydrophobicContact CG2-CG 4.48Å; I236-L463 HydrophobicContact CD1-CD1 3.46Å; I236-L463 VanDerWaalsContact CD1-CD1 3.46Å; V459-L463 HydrophobicContact CB-CD2 4.46Å; V459-L463 HydrophobicContact CG1-CD2 4.21Å; V459-L463 HydrophobicContact CG2-CD2 4.4Å; T460-L463 WeakPolarHBondContact O-CB 3.44Å; T460-L463 PolarHBondContact O-N 2.93Å; T460-L463 WeakPolarHBondContact OG1-CB 3.37Å; T460-L463 PolarHBondContact OG1-N 3.22Å; T460-L463 VanDerWaalsContact OG1-N 3.16Å; D461-L463 VanDerWaalsContact C-N 3.35Å; L463-K465 VanDerWaalsContact C-N 3.32Å; L463-K465 PolarHBondContact O-N 3.27Å; L463-Q466 WeakPolarHBondContact O-CB 3.4Å; L463-Q466 PolarHBondContact O-N 3.18Å; L463-Q466 VanDerWaalsContact O-N 3.12Å; L463-F467 HydrophobicContact CD1-CD2 4.14Å; L463-F467 HydrophobicContact CD1-CE2 3.87Å; L463-F467 HydrophobicContact CD2-CE2 4.49Å; L463-F467 HydrophobicContact CG-CD2 4.08Å; L463-F467 HydrophobicContact CG-CE2 3.98Å; L463-F467 WeakPolarHBondContact O-CD2 3.45Å; L463-F467 PolarHBondContact O-N 3.37Å
464V96.9Very high95.3Very high4 Ų474.9 Ų74.92%0.02438%0.375CS..Hα-helixtrans-57-49175.8-179.90000110.5I223 A226 K227 I230 V459 T460 D461 Q466 F467 M468I223-V464 HydrophobicContact CG2-CG1 4.2Å; A226-V464 HydrophobicContact CB-CG1 4.06Å; K227-V464 HydrophobicContact CD-CG2 4.39Å; K227-V464 HydrophobicContact CG-CG2 3.52Å; I230-V464 HydrophobicContact CD1-CB 4.33Å; I230-V464 HydrophobicContact CD1-CG2 3.99Å; V459-V464 HydrophobicContact CG1-CG2 3.55Å; T460-V464 PolarHBondContact O-N 3.48Å; D461-V464 PolarHBondContact O-N 2.95Å; V464-Q466 VanDerWaalsContact C-N 3.26Å; V464-Q466 PolarHBondContact O-N 3.15Å; V464-F467 PolarHBondContact O-N 2.98Å; V464-M468 HydrophobicContact CG1-CG 4.35Å; V464-M468 HydrophobicContact CG1-SD 3.73Å; V464-M468 WeakPolarHBondContact O-CB 3.42Å; V464-M468 WeakPolarHBondContact O-CG 3.3Å; V464-M468 PolarHBondContact O-N 2.75Å
465K96Very high94.5Very high142 Ų14271.9 Ų71.962%0.61736%0.361SS*.Hα-helixtrans-58-40.9177-175.1177.4-178.9178.90111.3D461 D462 L463 M468 T469D461-K465 WeakPolarHBondContact O-CB 3.2Å; D461-K465 PolarHBondContact O-N 3.06Å; D462-K465 PolarHBondContact O-N 2.92Å; L463-K465 VanDerWaalsContact C-N 3.32Å; L463-K465 PolarHBondContact O-N 3.27Å; K465-M468 CarbonylContact O-C 3.56Å; K465-M468 PolarHBondContact O-N 2.89Å; K465-T469 WeakPolarHBondContact O-CB 3.46Å; K465-T469 PolarHBondContact O-N 3.43Å; K465-T469 PolarHBondContact O-OG1 3.38Å
466Q96.3Very high92.9Very high94 Ų9474 Ų7444%0.43938%0.38SS..Hα-helixtrans-63.5-46.6177.4-170.6176.47.300111.6I236 D462 L463 V464 M468 T469 R471I236-Q466 HydrophobicContact CD1-CB 4.13Å; I236-Q466 HydrophobicContact CD1-CG 3.71Å; I236-Q466 HydrophobicContact CG1-CG 4.32Å; D462-Q466 WeakPolarHBondContact O-CB 3.47Å; D462-Q466 PolarHBondContact O-N 3.43Å; L463-Q466 WeakPolarHBondContact O-CB 3.4Å; L463-Q466 PolarHBondContact O-N 3.18Å; L463-Q466 VanDerWaalsContact O-N 3.12Å; V464-Q466 VanDerWaalsContact C-N 3.26Å; V464-Q466 PolarHBondContact O-N 3.15Å; Q466-M468 PolarHBondContact O-N 3.2Å; Q466-T469 PolarHBondContact O-N 2.54Å; Q466-R471 PolarHBondContact O-NH1 3.18Å
467F97.6Very high91Very high4 Ų476.8 Ų76.82%0.01840%0.398CS..Hα-helixtrans-58.3-38.1173.8-88.7-91.5000112.1I230 F234 I236 T239 I241 L463 V464 R471I230-F467 HydrophobicContact CB-CE2 4.47Å; I230-F467 HydrophobicContact CD1-CB 4Å; I230-F467 HydrophobicContact CD1-CD2 3.63Å; I230-F467 HydrophobicContact CD1-CE2 4.23Å; I230-F467 HydrophobicContact CD1-CG 3.85Å; I230-F467 HydrophobicContact CG1-CB 4.42Å; I230-F467 HydrophobicContact CG1-CD1 4.15Å; I230-F467 HydrophobicContact CG1-CD2 3.77Å; I230-F467 HydrophobicContact CG1-CE1 4.31Å; I230-F467 HydrophobicContact CG1-CE2 3.97Å; I230-F467 HydrophobicContact CG1-CG 3.86Å; I230-F467 HydrophobicContact CG1-CZ 4.23Å; I230-F467 HydrophobicContact CG2-CD2 4.21Å; I230-F467 HydrophobicContact CG2-CE2 3.69Å; I230-F467 HydrophobicContact CG2-CZ 4.07Å; F234-F467 HydrophobicContact CB-CE1 4.33Å; I236-F467 HydrophobicContact CB-CE1 4.25Å; I236-F467 HydrophobicContact CB-CE2 3.77Å; I236-F467 HydrophobicContact CB-CZ 3.63Å; I236-F467 HydrophobicContact CD1-CD2 4.09Å; I236-F467 HydrophobicContact CD1-CE2 3.89Å; I236-F467 HydrophobicContact CG1-CD2 3.89Å; I236-F467 HydrophobicContact CG1-CE1 4.38Å; I236-F467 HydrophobicContact CG1-CE2 3.64Å; I236-F467 HydrophobicContact CG1-CG 4.37Å; I236-F467 HydrophobicContact CG1-CZ 3.91Å; T239-F467 HydrophobicContact CG2-CD1 4.05Å; T239-F467 HydrophobicContact CG2-CE1 4.05Å; I241-F467 HydrophobicContact CD1-CB 4.2Å; I241-F467 HydrophobicContact CD1-CD1 3.98Å; I241-F467 HydrophobicContact CD1-CG 4.33Å; I241-F467 HydrophobicContact CG1-CB 4.31Å; I241-F467 HydrophobicContact CG1-CD1 4.17Å; I241-F467 PolarHBondContact N-O 3.47Å; L463-F467 HydrophobicContact CD1-CD2 4.14Å; L463-F467 HydrophobicContact CD1-CE2 3.87Å; L463-F467 HydrophobicContact CD2-CE2 4.49Å; L463-F467 HydrophobicContact CG-CD2 4.08Å; L463-F467 HydrophobicContact CG-CE2 3.98Å; L463-F467 WeakPolarHBondContact O-CD2 3.45Å; L463-F467 PolarHBondContact O-N 3.37Å; V464-F467 PolarHBondContact O-N 2.98Å; F467-R471 PolarHBondContact O-NH1 3.4Å; F467-R471 VanDerWaalsContact O-NH1 3.16Å
468M97.5Very high90.8Very high26 Ų2673 Ų7313%0.12839%0.385CS..Hα-helixtrans-88.6-7.8-175.6-62.5-176.971.500115.9L202 I223 A226 I241 V464 K465 Q466 P470L202-M468 HydrophobicContact CD1-CE 4.3Å; I223-M468 HydrophobicContact CD1-CE 3.67Å; I223-M468 HydrophobicContact CD1-SD 3.44Å; I223-M468 WeakPolarHBondContact CD1-SD 3.49Å; A226-M468 HydrophobicContact CB-SD 4.04Å; I241-M468 HydrophobicContact CB-CG 4.09Å; I241-M468 HydrophobicContact CG2-CG 4.32Å; I241-M468 WeakPolarHBondContact O-CA 3.43Å; V464-M468 HydrophobicContact CG1-CG 4.35Å; V464-M468 HydrophobicContact CG1-SD 3.73Å; V464-M468 WeakPolarHBondContact O-CB 3.42Å; V464-M468 WeakPolarHBondContact O-CG 3.3Å; V464-M468 PolarHBondContact O-N 2.75Å; K465-M468 CarbonylContact O-C 3.56Å; K465-M468 PolarHBondContact O-N 2.89Å; Q466-M468 PolarHBondContact O-N 3.2Å; M468-P470 WeakPolarHBondContact O-CD 3.43Å
469T97Very high90.5Very high60 Ų6069.8 Ų69.837%0.36837%0.372SS..SBendtrans-80.9126.3176.9-62.60000110K465 Q466 R471K465-T469 WeakPolarHBondContact O-CB 3.46Å; K465-T469 PolarHBondContact O-N 3.43Å; K465-T469 PolarHBondContact O-OG1 3.38Å; Q466-T469 PolarHBondContact O-N 2.54Å; T469-R471 PolarHBondContact O-N 3.19Å; T469-R471 VanDerWaalsContact O-N 3.1Å; T469-R471 PolarHBondContact O-NH1 3.05Å; T469-R471 VanDerWaalsContact O-NH1 3.09Å
470P96.1Very high90.2Very high60 Ų6072.8 Ų72.839%0.3939%0.388SS..  trans-57.7113.9172.6-24.735000110.9F240 Y247 H302 M468F240-P470 HydrophobicContact CE2-CB 4.39Å; F240-P470 HydrophobicContact CE2-CG 4.15Å; F240-P470 HydrophobicContact CZ-CB 4.46Å; F240-P470 HydrophobicContact CZ-CG 4.13Å; Y247-P470 HydrophobicContact CD2-CG 4.23Å; Y247-P470 HydrophobicContact CE2-CB 4.46Å; Y247-P470 HydrophobicContact CE2-CG 4.02Å; H302-P470 HydrophobicContact CB-CB 4.49Å; M468-P470 WeakPolarHBondContact O-CD 3.43Å
471R94.8Very high89.9Confident41 Ų4172.6 Ų72.616%0.15538%0.383CS..  trans-149.5155.5-17871.8-169.8177.8-66.9-0.2112.1I236 T239 H302 Q466 F467 T469 L473I236-R471 PolarHBondContact O-NH2 3.45Å; T239-R471 PolarHBondContact O-NH2 2.87Å; H302-R471 PolarHBondContact CD2-N 3.4Å; H302-R471 PolarHBondContact CD2-O 3.2Å; Q466-R471 PolarHBondContact O-NH1 3.18Å; F467-R471 PolarHBondContact O-NH1 3.4Å; F467-R471 VanDerWaalsContact O-NH1 3.16Å; T469-R471 PolarHBondContact O-N 3.19Å; T469-R471 VanDerWaalsContact O-N 3.1Å; T469-R471 PolarHBondContact O-NH1 3.05Å; T469-R471 VanDerWaalsContact O-NH1 3.09Å; R471-L473 HydrophobicContact CG-CD2 4.42Å; R471-L473 PolarHBondContact O-N 3.37Å
472P92.8Very high89.6Confident109 Ų10970.3 Ų70.371%0.70837%0.371SS*.  trans-56.1136.3168.2-22.533.9000111.1H302H302-P472 WeakPolarHBondContact O-CA 3.31Å
473L92.8Very high89.1Confident14 Ų1466.5 Ų66.57%0.07335%0.35CS..  trans-96.8148.2174.6-60.1-179.9000109.5P197 N237 F240 V303 R471 F475P197-L473 HydrophobicContact CB-CD1 3.91Å; N237-L473 CarbonylContact O-C 3.52Å; N237-L473 VanDerWaalsContact O-CA 3.29Å; N237-L473 WeakPolarHBondContact O-CA 3.49Å; N237-L473 WeakPolarHBondContact O-CB 3.47Å; F240-L473 HydrophobicContact CB-CD1 4.25Å; V303-L473 HydrophobicContact CG1-CB 4.21Å; V303-L473 HydrophobicContact CG1-CD1 3.73Å; V303-L473 HydrophobicContact CG1-CG 4Å; V303-L473 HydrophobicContact CG2-CD1 4.01Å; V303-L473 HydrophobicContact CG2-CG 4.09Å; R471-L473 HydrophobicContact CG-CD2 4.42Å; R471-L473 PolarHBondContact O-N 3.37Å; L473-F475 HydrophobicContact CB-CD1 3.77Å; L473-F475 HydrophobicContact CB-CE1 3.96Å; L473-F475 VanDerWaalsContact O-CD1 3.24Å; L473-F475 WeakPolarHBondContact O-CD1 3.28Å; L473-F475 PolarHBondContact O-N 3.4Å
474N85.9Confident88.7Confident112 Ų11268 Ų6860%0.59936%0.358SS*.  trans-8591.5-179.9-172.621.3000110.3N237 K238N237-N474 HydrophobicContact CB-CB 3.96Å; N237-N474 PolarHBondContact O-N 3.39Å; K238-N474 VanDerWaalsContact CE-O 3.25Å; K238-N474 WeakPolarHBondContact CE-O 3.22Å; K238-N474 WeakPolarHBondContact CG-O 3.27Å
475F78.3Confident88Confident28 Ų2872.9 Ų72.912%0.12338%0.383CS..  trans-145.9154.9175.165.9-79.1000110.7P197 V303 F304 L473 L477P197-F475 HydrophobicContact CB-CD1 3.95Å; P197-F475 HydrophobicContact CB-CE1 4.24Å; P197-F475 HydrophobicContact CB-CG 4.19Å; P197-F475 HydrophobicContact CG-CB 4.43Å; P197-F475 HydrophobicContact CG-CD1 3.98Å; P197-F475 HydrophobicContact CG-CD2 3.82Å; P197-F475 HydrophobicContact CG-CE1 4.19Å; P197-F475 HydrophobicContact CG-CE2 3.99Å; P197-F475 HydrophobicContact CG-CG 3.81Å; P197-F475 HydrophobicContact CG-CZ 4.19Å; V303-F475 HydrophobicContact CG1-CE1 3.64Å; V303-F475 HydrophobicContact CG1-CZ 3.99Å; F304-F475 HydrophobicContact CD1-CE2 4.28Å; F304-F475 AromaticContact CD1-CZ 3.76Å; F304-F475 HydrophobicContact CD1-CZ 3.76Å; F304-F475 HydrophobicContact CE1-CE1 4.48Å; F304-F475 HydrophobicContact CE1-CE2 4.15Å; F304-F475 AromaticContact CE1-CZ 3.76Å; F304-F475 HydrophobicContact CE1-CZ 3.76Å; L473-F475 HydrophobicContact CB-CD1 3.77Å; L473-F475 HydrophobicContact CB-CE1 3.96Å; L473-F475 VanDerWaalsContact O-CD1 3.24Å; L473-F475 WeakPolarHBondContact O-CD1 3.28Å; L473-F475 PolarHBondContact O-N 3.4Å; F475-L477 HydrophobicContact CD2-CG 4.37Å; F475-L477 HydrophobicContact CE2-CD2 3.6Å; F475-L477 HydrophobicContact CE2-CG 3.66Å; F475-L477 HydrophobicContact CZ-CD2 4.19Å; F475-L477 HydrophobicContact CZ-CG 4.23Å
476N62.1Low87.4Confident141 Ų14167.2 Ų67.275%0.75436%0.364SS*.  trans-85.1125.6172.1-66-40.4000108.9S162S162-N476 PolarHBondContact OG-O 3.41Å
477L57.1Low86.5Confident117 Ų11764.7 Ų64.761%0.61336%0.357SS*.  trans-78.30179.6-91.9165.3000113.1S162 I310 F475S162-L477 WeakPolarHBondContact CB-OXT 3.5Å; I310-L477 HydrophobicContact CD1-CD2 4Å; F475-L477 HydrophobicContact CD2-CG 4.37Å; F475-L477 HydrophobicContact CE2-CD2 3.6Å; F475-L477 HydrophobicContact CE2-CG 3.66Å; F475-L477 HydrophobicContact CZ-CD2 4.19Å; F475-L477 HydrophobicContact CZ-CG 4.23Å

Retrieved 477 of 477 residues in 371.9 ms (Link to these results)

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