A0A5K4FF45_SCHMA Loading...

EPS8 spectrin-like domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4FF45, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 292 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   AlphaSync Parameters   PDB   PAE   Table  
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
1M46.8Very low41.8Very low212 Ų212122.2 Ų122.2100%1.04462%0.621SS**  0-36.10-102.4-171.2-82.900114.1E3 K4M1-E3 VanDerWaalsContact C-N 3.3Å; M1-E3 PolarHBondContact O-N 3.31Å; M1-K4 PolarHBondContact O-N 2.79Å
2K44.6Very low42.4Very low190 Ų190120.3 Ų120.383%0.82661%0.613SS**Hα-helixtrans-59.7-30.8177.5-71.9-178.7176.7179.70115.2T5 S6K2-T5 PolarHBondContact O-OG1 3.48Å; K2-S6 PolarHBondContact O-N 3.36Å
3E36.6Very low43.4Very low173 Ų173116.6 Ų116.681%0.80859%0.594SS**Hα-helixtrans-68.6-36.9178.5-126.1174.8175.400113M1 S6 A7M1-E3 VanDerWaalsContact C-N 3.3Å; M1-E3 PolarHBondContact O-N 3.31Å; E3-S6 PolarHBondContact O-N 3.46Å; E3-A7 WeakPolarHBondContact O-CB 3.43Å; E3-A7 PolarHBondContact O-N 2.76Å
4K39.3Very low44.4Very low171 Ų171111.7 Ų111.774%0.74357%0.57SS**Hα-helixtrans-69.3-36.1179.5-72.7-175176.9-179.10112M1 A8M1-K4 PolarHBondContact O-N 2.79Å; K4-A8 WeakPolarHBondContact O-CB 3.36Å; K4-A8 PolarHBondContact O-N 3.47Å
5T42.9Very low45.9Very low96 Ų96105.3 Ų105.359%0.58954%0.538SS*.Hα-helixtrans-72.3-39.3176.2360000112.3K2 A8 Y9K2-T5 PolarHBondContact O-OG1 3.48Å; T5-A8 PolarHBondContact O-N 3.15Å; T5-Y9 WeakPolarHBondContact O-CB 3.18Å; T5-Y9 PolarHBondContact O-N 3.23Å
6S47.4Very low47.8Very low64 Ų64101.1 Ų101.145%0.44852%0.524SS..Hα-helixtrans-62.8-46.1173.4-177.70000111.7K2 E3 A8 Y9 I10K2-S6 PolarHBondContact O-N 3.36Å; E3-S6 PolarHBondContact O-N 3.46Å; S6-A8 PolarHBondContact O-N 2.79Å; S6-Y9 PolarHBondContact O-N 3.17Å; S6-I10 VanDerWaalsContact O-CG1 3.28Å; S6-I10 WeakPolarHBondContact O-CG1 3.37Å; S6-I10 PolarHBondContact O-N 3.47Å
7A41.8Very low49.5Very low50 Ų5097.2 Ų97.241%0.41350%0.501SS..Hα-helixtrans-61-4317600000112.3E3 I10 L11E3-A7 WeakPolarHBondContact O-CB 3.43Å; E3-A7 PolarHBondContact O-N 2.76Å; A7-I10 PolarHBondContact O-N 3.5Å; A7-L11 WeakPolarHBondContact O-CB 3.5Å; A7-L11 VanDerWaalsContact O-CG 3.23Å; A7-L11 WeakPolarHBondContact O-CG 3.5Å; A7-L11 PolarHBondContact O-N 3.41Å
8A38.4Very low50.9Low48 Ų4891.8 Ų91.840%0.39747%0.473SS..Hα-helixtrans-62.7-42176.500000112.3K4 T5 S6 L11 L12K4-A8 WeakPolarHBondContact O-CB 3.36Å; K4-A8 PolarHBondContact O-N 3.47Å; T5-A8 PolarHBondContact O-N 3.15Å; S6-A8 PolarHBondContact O-N 2.79Å; A8-L11 PolarHBondContact O-N 2.61Å; A8-L12 VanDerWaalsContact O-CG 3.3Å; A8-L12 WeakPolarHBondContact O-CG 3.44Å; A8-L12 PolarHBondContact O-N 3.07Å
9Y34.6Very low52.3Low155 Ų15588.8 Ų88.861%0.60846%0.457SS*.Hα-helixtrans-66.2-43.7177.8-173.9-107.1000112.3T5 S6 L11 L12 I13T5-Y9 WeakPolarHBondContact O-CB 3.18Å; T5-Y9 PolarHBondContact O-N 3.23Å; S6-Y9 PolarHBondContact O-N 3.17Å; Y9-L11 VanDerWaalsContact C-N 3.35Å; Y9-L11 PolarHBondContact O-N 2.98Å; Y9-L12 PolarHBondContact O-N 3.08Å; Y9-I13 HydrophobicContact CD1-CD1 3.65Å; Y9-I13 HydrophobicContact CE1-CD1 3.21Å; Y9-I13 HydrophobicContact CE1-CG1 4.28Å; Y9-I13 HydrophobicContact CE2-CD1 4.37Å; Y9-I13 HydrophobicContact CG-CD1 4.39Å; Y9-I13 WeakPolarHBondContact O-CG1 3.45Å; Y9-I13 PolarHBondContact O-N 3.22Å
10I44.8Very low53.9Low90 Ų9085.2 Ų85.246%0.46244%0.438SS..Hα-helixtrans-61-44.3174.5-68166.6000110.6S6 A7 L12 I13 D14S6-I10 VanDerWaalsContact O-CG1 3.28Å; S6-I10 WeakPolarHBondContact O-CG1 3.37Å; S6-I10 PolarHBondContact O-N 3.47Å; A7-I10 PolarHBondContact O-N 3.5Å; I10-L12 VanDerWaalsContact C-N 3.34Å; I10-L12 PolarHBondContact O-N 3.24Å; I10-I13 PolarHBondContact O-N 3.4Å; I10-D14 PolarHBondContact O-N 3.5Å
11L42.9Very low55.2Low95 Ų9581.2 Ų81.250%0.49742%0.418SS..Hα-helixtrans-62.5-38.2176.5-73.3174.8000112.5A7 A8 Y9 D14 D15A7-L11 WeakPolarHBondContact O-CB 3.5Å; A7-L11 VanDerWaalsContact O-CG 3.23Å; A7-L11 WeakPolarHBondContact O-CG 3.5Å; A7-L11 PolarHBondContact O-N 3.41Å; A8-L11 PolarHBondContact O-N 2.61Å; Y9-L11 VanDerWaalsContact C-N 3.35Å; Y9-L11 PolarHBondContact O-N 2.98Å; L11-D14 PolarHBondContact O-N 3.4Å; L11-D15 WeakPolarHBondContact O-CB 3.27Å; L11-D15 PolarHBondContact O-N 3.44Å
12L49.2Very low56.9Low100 Ų10072 Ų7252%0.52437%0.372SS..Hα-helixtrans-68.1-39.5176.5-74.2170.7000112.6A8 Y9 I10 D14 D15 A16A8-L12 VanDerWaalsContact O-CG 3.3Å; A8-L12 WeakPolarHBondContact O-CG 3.44Å; A8-L12 PolarHBondContact O-N 3.07Å; Y9-L12 PolarHBondContact O-N 3.08Å; I10-L12 VanDerWaalsContact C-N 3.34Å; I10-L12 PolarHBondContact O-N 3.24Å; L12-D14 VanDerWaalsContact C-N 3.32Å; L12-D15 WeakPolarHBondContact O-CB 3.41Å; L12-D15 PolarHBondContact O-N 2.8Å; L12-A16 PolarHBondContact O-N 2.84Å
13I54.5Low58.8Low72 Ų7263.3 Ų63.337%0.36933%0.334SS..Hα-helixtrans-64.5-40.5175.2-70.8170.1000110.7Y9 I10 D15 A16 Y17Y9-I13 HydrophobicContact CD1-CD1 3.65Å; Y9-I13 HydrophobicContact CE1-CD1 3.21Å; Y9-I13 HydrophobicContact CE1-CG1 4.28Å; Y9-I13 HydrophobicContact CE2-CD1 4.37Å; Y9-I13 HydrophobicContact CG-CD1 4.39Å; Y9-I13 WeakPolarHBondContact O-CG1 3.45Å; Y9-I13 PolarHBondContact O-N 3.22Å; I10-I13 PolarHBondContact O-N 3.4Å; I13-D15 VanDerWaalsContact C-N 3.35Å; I13-A16 PolarHBondContact O-N 3.15Å; I13-Y17 WeakPolarHBondContact O-CB 3.2Å; I13-Y17 PolarHBondContact O-N 3.03Å
14D58.5Low61.3Low48 Ų4855.1 Ų55.126%0.25730%0.296SS..Hα-helixtrans-69-33.8174.6-80.4-8.9000112.1I10 L11 L12 G18 K90 K233I10-D14 PolarHBondContact O-N 3.5Å; L11-D14 PolarHBondContact O-N 3.4Å; L12-D14 VanDerWaalsContact C-N 3.32Å; D14-G18 PolarHBondContact O-N 2.88Å; D14-K90 IonicContact OD1-NZ 3.13Å; D14-K233 IonicContact OD2-NZ 2.64Å; D14-K233 PolarHBondContact OD2-NZ 3.05Å
15D66.5Low63.6Low15 Ų1547.8 Ų47.88%0.0827%0.265CS..Hα-helixtrans-61.2-48174-149.647.3000110.1L11 L12 I13 Q19 A237 R244L11-D15 WeakPolarHBondContact O-CB 3.27Å; L11-D15 PolarHBondContact O-N 3.44Å; L12-D15 WeakPolarHBondContact O-CB 3.41Å; L12-D15 PolarHBondContact O-N 2.8Å; I13-D15 VanDerWaalsContact C-N 3.35Å; D15-Q19 WeakPolarHBondContact O-CB 3.4Å; D15-Q19 PolarHBondContact O-N 3.07Å; D15-A237 HydrophobicContact CB-CB 4.29Å; D15-A237 WeakPolarHBondContact OD1-CA 3.38Å; D15-A237 WeakPolarHBondContact OD1-CB 3.37Å; D15-R244 IonicContact OD2-NH1 3.94Å; D15-R244 PolarHBondContact OD2-NH1 2.93Å; D15-R244 IonicContact OD2-NH2 2.69Å
16A75.6Confident65.7Low38 Ų3844 Ų4431%0.31424%0.24SC..Hα-helixtrans-66.2-44.3179.600000112.3L12 I13 Q19 D20L12-A16 PolarHBondContact O-N 2.84Å; I13-A16 PolarHBondContact O-N 3.15Å; A16-Q19 PolarHBondContact O-N 2.95Å; A16-D20 WeakPolarHBondContact O-CB 3.38Å; A16-D20 PolarHBondContact O-N 3.13Å
17Y78.1Confident67.8Low35 Ų3540.9 Ų40.914%0.13722%0.218CC..Hα-helixtrans-63.2-46176.5174.4-105.6000112I13 Q19 D20 L21 I87 K90 E234I13-Y17 WeakPolarHBondContact O-CB 3.2Å; I13-Y17 PolarHBondContact O-N 3.03Å; Y17-Q19 VanDerWaalsContact C-N 3.31Å; Y17-Q19 PolarHBondContact O-N 3.47Å; Y17-D20 PolarHBondContact O-N 3.24Å; Y17-L21 HydrophobicContact CE1-CD2 4.28Å; Y17-L21 WeakPolarHBondContact O-CB 3.38Å; Y17-L21 PolarHBondContact O-N 3Å; Y17-I87 HydrophobicContact CD2-CB 4.01Å; Y17-I87 HydrophobicContact CD2-CG2 3.81Å; Y17-I87 HydrophobicContact CE2-CB 3.85Å; Y17-I87 HydrophobicContact CE2-CD1 4.46Å; Y17-I87 HydrophobicContact CE2-CG2 4.14Å; Y17-K90 VanDerWaalsContact CB-NZ 3.31Å; Y17-K90 HydrophobicContact CD1-CD 4.1Å; Y17-K90 HydrophobicContact CD2-CB 4.48Å; Y17-K90 HydrophobicContact CD2-CD 3.25Å; Y17-K90 HydrophobicContact CD2-CG 4.42Å; Y17-K90 HydrophobicContact CE1-CD 4.12Å; Y17-K90 HydrophobicContact CE2-CB 3.67Å; Y17-K90 HydrophobicContact CE2-CD 3.27Å; Y17-K90 HydrophobicContact CE2-CG 4.08Å; Y17-K90 HydrophobicContact CG-CD 3.67Å; Y17-K90 VanDerWaalsContact CG-NZ 3.31Å; Y17-E234 WeakPolarHBondContact CD1-OE1 3.26Å; Y17-E234 WeakPolarHBondContact CE1-OE1 3.35Å
18G73.5Confident70.1Confident0 Ų038.5 Ų38.50%020%0.199CC..Hα-helixtrans-63.4-37.417800000112.6D14 Y22D14-G18 PolarHBondContact O-N 2.88Å; G18-Y22 WeakPolarHBondContact O-CB 3.34Å; G18-Y22 PolarHBondContact O-N 2.98Å
19Q77.6Confident72.4Confident36 Ų3638.6 Ų38.617%0.16819%0.192CC..Hα-helixtrans-63.3-49.6172.7178.9-179.2-8.900111.8D15 A16 Y17 L21 Y22 M23 F241D15-Q19 WeakPolarHBondContact O-CB 3.4Å; D15-Q19 PolarHBondContact O-N 3.07Å; A16-Q19 PolarHBondContact O-N 2.95Å; Y17-Q19 VanDerWaalsContact C-N 3.31Å; Y17-Q19 PolarHBondContact O-N 3.47Å; Q19-L21 VanDerWaalsContact C-N 3.29Å; Q19-L21 PolarHBondContact O-N 2.89Å; Q19-Y22 PolarHBondContact O-N 3.32Å; Q19-M23 HydrophobicContact CG-CG 4.42Å; Q19-M23 WeakPolarHBondContact O-CB 3.47Å; Q19-M23 VanDerWaalsContact O-CG 3.27Å; Q19-M23 WeakPolarHBondContact O-CG 3.31Å; Q19-M23 PolarHBondContact O-N 3.04Å; Q19-F241 VanDerWaalsContact CD-CG 3.44Å; Q19-F241 HydrophobicContact CG-CD1 4.49Å; Q19-F241 HydrophobicContact CG-CG 4.4Å; Q19-F241 VanDerWaalsContact NE2-CG 3.27Å
20D84.8Confident75.1Confident15 Ų1531.5 Ų31.58%0.0817%0.165CC..Hα-helixtrans-58.2-44178-72.2-27.5000110.9A16 Y17 M23 L24 I83 K86 I87A16-D20 WeakPolarHBondContact O-CB 3.38Å; A16-D20 PolarHBondContact O-N 3.13Å; Y17-D20 PolarHBondContact O-N 3.24Å; D20-M23 PolarHBondContact O-N 3.49Å; D20-L24 VanDerWaalsContact O-CB 3.3Å; D20-L24 WeakPolarHBondContact O-CB 3.46Å; D20-L24 PolarHBondContact O-N 3.09Å; D20-I83 HydrophobicContact CB-CG2 3.86Å; D20-K86 IonicContact OD1-NZ 3.94Å; D20-K86 PolarHBondContact OD1-NZ 3.12Å; D20-K86 VanDerWaalsContact OD2-CD 3.23Å; D20-K86 WeakPolarHBondContact OD2-CD 3.22Å; D20-K86 WeakPolarHBondContact OD2-CE 3.48Å; D20-K86 IonicContact OD2-NZ 3.35Å; D20-K86 PolarHBondContact OD2-NZ 3.24Å; D20-I87 HydrophobicContact CB-CG2 3.65Å
21L81.9Confident77.4Confident3 Ų327.2 Ų27.22%0.01614%0.143CC..Hα-helixtrans-64.2-42.7178.7-15569.4000112.4Y17 Q19 N25 I87 F228 E234Y17-L21 HydrophobicContact CE1-CD2 4.28Å; Y17-L21 WeakPolarHBondContact O-CB 3.38Å; Y17-L21 PolarHBondContact O-N 3Å; Q19-L21 VanDerWaalsContact C-N 3.29Å; Q19-L21 PolarHBondContact O-N 2.89Å; L21-N25 PolarHBondContact O-N 3.22Å; L21-N25 PolarHBondContact O-ND2 2.69Å; L21-I87 HydrophobicContact CD1-CD1 3.66Å; L21-F228 HydrophobicContact CD1-CB 3.65Å; L21-F228 HydrophobicContact CD1-CD1 3.59Å; L21-F228 HydrophobicContact CD1-CD2 3.43Å; L21-F228 VanDerWaalsContact CD1-CD2 3.43Å; L21-F228 HydrophobicContact CD1-CE1 4.1Å; L21-F228 HydrophobicContact CD1-CE2 3.98Å; L21-F228 HydrophobicContact CD1-CG 3.22Å; L21-F228 HydrophobicContact CD1-CZ 4.27Å; L21-F228 HydrophobicContact CD2-CB 3.46Å; L21-F228 VanDerWaalsContact CD2-CB 3.46Å; L21-F228 HydrophobicContact CD2-CG 4.05Å; L21-F228 HydrophobicContact CG-CB 3.51Å; L21-F228 HydrophobicContact CG-CD1 4.42Å; L21-F228 HydrophobicContact CG-CD2 3.91Å; L21-F228 HydrophobicContact CG-CG 3.68Å; L21-E234 WeakPolarHBondContact CD2-OE2 3.41Å
22Y81.6Confident79.7Confident18 Ų1823.4 Ų23.47%0.07112%0.123CC..Hα-helixtrans-59.7-51.3173.9173.4-86.3000110.4G18 Q19 L24 N25 R26 L183 Y238G18-Y22 WeakPolarHBondContact O-CB 3.34Å; G18-Y22 PolarHBondContact O-N 2.98Å; Q19-Y22 PolarHBondContact O-N 3.32Å; Y22-L24 VanDerWaalsContact C-N 3.33Å; Y22-L24 PolarHBondContact O-N 3.1Å; Y22-N25 PolarHBondContact O-N 3.07Å; Y22-R26 HydrophobicContact CD1-CG 4.06Å; Y22-R26 HydrophobicContact CE1-CG 3.58Å; Y22-R26 HydrophobicContact CE2-CG 4.22Å; Y22-R26 VanDerWaalsContact O-CG 3.27Å; Y22-R26 WeakPolarHBondContact O-CG 3.04Å; Y22-R26 PolarHBondContact O-N 3.05Å; Y22-L183 HydrophobicContact CE2-CD2 4.39Å; Y22-Y238 AromaticContact CD1-CD1 3.96Å; Y22-Y238 HydrophobicContact CD1-CD1 3.96Å; Y22-Y238 AromaticContact CD1-CD2 3.17Å; Y22-Y238 HydrophobicContact CD1-CD2 3.17Å; Y22-Y238 HydrophobicContact CD1-CE1 4.11Å; Y22-Y238 AromaticContact CD1-CE2 3.35Å; Y22-Y238 HydrophobicContact CD1-CE2 3.35Å; Y22-Y238 AromaticContact CD1-CG 3.48Å; Y22-Y238 HydrophobicContact CD1-CG 3.48Å; Y22-Y238 VanDerWaalsContact CD1-CG 3.48Å; Y22-Y238 AromaticContact CD1-CZ 3.82Å; Y22-Y238 HydrophobicContact CD2-CD1 4.01Å; Y22-Y238 AromaticContact CD2-CG 3.97Å; Y22-Y238 HydrophobicContact CD2-CG 3.97Å; Y22-Y238 AromaticContact CE1-CD1 3.7Å; Y22-Y238 HydrophobicContact CE1-CD1 3.7Å; Y22-Y238 AromaticContact CE1-CD2 3.42Å; Y22-Y238 HydrophobicContact CE1-CD2 3.42Å; Y22-Y238 VanDerWaalsContact CE1-CD2 3.42Å; Y22-Y238 AromaticContact CE1-CE1 3.4Å; Y22-Y238 HydrophobicContact CE1-CE1 3.4Å; Y22-Y238 VanDerWaalsContact CE1-CE1 3.4Å; Y22-Y238 AromaticContact CE1-CE2 3.1Å; Y22-Y238 HydrophobicContact CE1-CE2 3.1Å; Y22-Y238 AromaticContact CE1-CG 3.69Å; Y22-Y238 HydrophobicContact CE1-CG 3.69Å; Y22-Y238 AromaticContact CE1-CZ 3.07Å; Y22-Y238 AromaticContact CE2-CD1 3.72Å; Y22-Y238 HydrophobicContact CE2-CD1 3.72Å; Y22-Y238 AromaticContact CE2-CE1 3.88Å; Y22-Y238 HydrophobicContact CE2-CE1 3.88Å; Y22-Y238 HydrophobicContact CE2-CG 4.13Å; Y22-Y238 HydrophobicContact CG-CD1 4.11Å; Y22-Y238 AromaticContact CG-CD2 3.79Å; Y22-Y238 HydrophobicContact CG-CD2 3.79Å; Y22-Y238 HydrophobicContact CG-CE2 4.34Å; Y22-Y238 AromaticContact CG-CG 3.64Å; Y22-Y238 HydrophobicContact CG-CG 3.64Å; Y22-Y238 AromaticContact CZ-CD1 3.54Å; Y22-Y238 AromaticContact CZ-CE1 3.23Å; Y22-Y238 AromaticContact CZ-CE2 3.9Å; Y22-Y238 AromaticContact CZ-CG 3.98Å; Y22-Y238 AromaticContact CZ-CZ 3.42Å; Y22-Y238 VanDerWaalsContact CZ-CZ 3.42Å; Y22-Y238 VanDerWaalsContact OH-CE1 3.23Å; Y22-Y238 WeakPolarHBondContact OH-CE1 3.41Å; Y22-Y238 PolarHBondContact OH-OH 3.42Å
23M85.3Confident81.6Confident8 Ų823.6 Ų23.64%0.03912%0.116CC..Hα-helixtrans-62.5-41-177.7-68.8-59.2-69.100111.7Q19 D20 R26 C27 Y79 I83 M176 P177 F179 Y238Q19-M23 HydrophobicContact CG-CG 4.42Å; Q19-M23 WeakPolarHBondContact O-CB 3.47Å; Q19-M23 VanDerWaalsContact O-CG 3.27Å; Q19-M23 WeakPolarHBondContact O-CG 3.31Å; Q19-M23 PolarHBondContact O-N 3.04Å; D20-M23 PolarHBondContact O-N 3.49Å; M23-R26 PolarHBondContact O-N 3.47Å; M23-C27 PolarHBondContact O-N 3.25Å; M23-C27 PolarHBondContact O-SG 3.31Å; M23-Y79 HydrophobicContact CB-CE1 4.12Å; M23-Y79 HydrophobicContact CE-CE1 4.2Å; M23-I83 HydrophobicContact CB-CD1 3.95Å; M23-M176 HydrophobicContact CE-SD 4.11Å; M23-P177 HydrophobicContact CE-CG 3.43Å; M23-P177 VanDerWaalsContact CE-CG 3.43Å; M23-F179 HydrophobicContact CE-CE2 3.61Å; M23-F179 HydrophobicContact CE-CZ 3.72Å; M23-F179 HydrophobicContact SD-CE2 3.97Å; M23-F179 HydrophobicContact SD-CZ 4.31Å; M23-Y238 HydrophobicContact SD-CE2 4.05Å
24L89.2Confident83.5Confident0 Ų020.2 Ų20.20%010%0.099CC..Hα-helixtrans-60.2-50.5174.5177.758.1000111.6D20 Y22 R26 C27 L28 I83 I84 I87 F228D20-L24 VanDerWaalsContact O-CB 3.3Å; D20-L24 WeakPolarHBondContact O-CB 3.46Å; D20-L24 PolarHBondContact O-N 3.09Å; Y22-L24 VanDerWaalsContact C-N 3.33Å; Y22-L24 PolarHBondContact O-N 3.1Å; L24-R26 PolarHBondContact O-N 2.91Å; L24-C27 PolarHBondContact O-N 3.5Å; L24-L28 HydrophobicContact CD1-CD1 3.98Å; L24-L28 HydrophobicContact CD1-CD2 4.47Å; L24-L28 HydrophobicContact CD1-CG 4.03Å; L24-L28 HydrophobicContact CG-CD1 3.95Å; L24-L28 HydrophobicContact CG-CG 4.4Å; L24-L28 VanDerWaalsContact O-CG 3.29Å; L24-L28 WeakPolarHBondContact O-CG 3.2Å; L24-L28 PolarHBondContact O-N 3.26Å; L24-I83 HydrophobicContact CB-CG2 3.91Å; L24-I83 HydrophobicContact CD2-CG2 4.28Å; L24-I84 HydrophobicContact CD1-CD1 4Å; L24-I84 HydrophobicContact CD1-CG1 3.71Å; L24-I84 HydrophobicContact CD2-CG1 3.64Å; L24-I84 HydrophobicContact CG-CG1 4.35Å; L24-I87 HydrophobicContact CD2-CD1 3.81Å; L24-F228 HydrophobicContact CD2-CD2 4.32Å; L24-F228 HydrophobicContact CD2-CE2 3.37Å; L24-F228 HydrophobicContact CD2-CZ 3.85Å; L24-F228 HydrophobicContact CG-CE2 4Å
25N85.7Confident85.1Confident18 Ų1819.3 Ų19.310%0.0969%0.093CC..Hα-helixtrans-56.9-39.8177.6-79.3-54.5000111.8L21 Y22 L28 D29 F228 V230L21-N25 PolarHBondContact O-N 3.22Å; L21-N25 PolarHBondContact O-ND2 2.69Å; Y22-N25 PolarHBondContact O-N 3.07Å; N25-L28 PolarHBondContact O-N 2.63Å; N25-D29 PolarHBondContact O-N 3.14Å; N25-F228 WeakPolarHBondContact OD1-CD2 3.45Å; N25-F228 PolarHBondContact OD1-N 3.39Å; N25-V230 WeakPolarHBondContact ND2-CG2 3.37Å
26R87.1Confident86.1Confident15 Ų1522.5 Ų22.56%0.05711%0.106CC..Hα-helixtrans-67.3-40.5178.3-67.6-60-61.8141.91.7112.9Y22 M23 L24 L28 D29 D30 F179 H181Y22-R26 HydrophobicContact CD1-CG 4.06Å; Y22-R26 HydrophobicContact CE1-CG 3.58Å; Y22-R26 HydrophobicContact CE2-CG 4.22Å; Y22-R26 VanDerWaalsContact O-CG 3.27Å; Y22-R26 WeakPolarHBondContact O-CG 3.04Å; Y22-R26 PolarHBondContact O-N 3.05Å; M23-R26 PolarHBondContact O-N 3.47Å; L24-R26 PolarHBondContact O-N 2.91Å; R26-L28 VanDerWaalsContact C-N 3.34Å; R26-D29 IonicContact NH1-OD2 3.87Å; R26-D29 PolarHBondContact NH1-OD2 2.99Å; R26-D29 PolarHBondContact O-N 3.19Å; R26-D30 PolarHBondContact O-N 3.35Å; R26-F179 VanDerWaalsContact C-CE1 3.45Å; R26-F179 HydrophobicContact CB-CD1 3.81Å; R26-F179 HydrophobicContact CB-CD2 4.13Å; R26-F179 HydrophobicContact CB-CE1 3.45Å; R26-F179 VanDerWaalsContact CB-CE1 3.45Å; R26-F179 HydrophobicContact CB-CE2 3.77Å; R26-F179 HydrophobicContact CB-CG 4.14Å; R26-F179 HydrophobicContact CB-CZ 3.41Å; R26-F179 VanDerWaalsContact CB-CZ 3.41Å; R26-F179 HydrophobicContact CG-CE2 4.4Å; R26-F179 HydrophobicContact CG-CZ 4.46Å; R26-H181 PolarHBondContact NH2-O 3.3Å
27C91.9Very high86.8Confident0 Ų023 Ų230%010%0.102CC..Hα-helixtrans-62.8-44172-71.30000111.1M23 L24 D29 D30 I31 K76 S80 F179M23-C27 PolarHBondContact O-N 3.25Å; M23-C27 PolarHBondContact O-SG 3.31Å; L24-C27 PolarHBondContact O-N 3.5Å; C27-D29 VanDerWaalsContact C-N 3.32Å; C27-D29 PolarHBondContact O-N 2.6Å; C27-D30 PolarHBondContact O-N 2.83Å; C27-I31 HydrophobicContact CB-CD1 4.22Å; C27-I31 WeakPolarHBondContact O-CB 3.35Å; C27-I31 WeakPolarHBondContact O-CD1 3.39Å; C27-I31 WeakPolarHBondContact O-CG1 3.25Å; C27-I31 PolarHBondContact O-N 3.48Å; C27-K76 HydrophobicContact CB-CB 4.31Å; C27-S80 WeakPolarHBondContact CB-OG 3.07Å; C27-F179 HydrophobicContact CB-CE1 4.43Å
28L90.7Very high87.5Confident0 Ų021.4 Ų21.40%010%0.095CC..Hα-helixtrans-63.9-35.4-179.6-66.5174.7000112.4L24 N25 R26 I31 E32 I98 L102 Y227L24-L28 HydrophobicContact CD1-CD1 3.98Å; L24-L28 HydrophobicContact CD1-CD2 4.47Å; L24-L28 HydrophobicContact CD1-CG 4.03Å; L24-L28 HydrophobicContact CG-CD1 3.95Å; L24-L28 HydrophobicContact CG-CG 4.4Å; L24-L28 VanDerWaalsContact O-CG 3.29Å; L24-L28 WeakPolarHBondContact O-CG 3.2Å; L24-L28 PolarHBondContact O-N 3.26Å; N25-L28 PolarHBondContact O-N 2.63Å; R26-L28 VanDerWaalsContact C-N 3.34Å; L28-I31 HydrophobicContact CD2-CD1 4.49Å; L28-I31 PolarHBondContact O-N 3.12Å; L28-E32 VanDerWaalsContact O-CB 3.25Å; L28-E32 WeakPolarHBondContact O-CB 3.17Å; L28-E32 PolarHBondContact O-N 3.06Å; L28-I98 HydrophobicContact CD1-CD1 4.25Å; L28-I98 HydrophobicContact CD1-CG2 4.19Å; L28-I98 HydrophobicContact CD2-CG2 3.87Å; L28-L102 HydrophobicContact CD2-CD2 4.04Å; L28-Y227 HydrophobicContact CB-CD2 3.87Å; L28-Y227 HydrophobicContact CB-CE2 3.66Å; L28-Y227 HydrophobicContact CD1-CD1 4.19Å; L28-Y227 HydrophobicContact CD1-CD2 3.38Å; L28-Y227 HydrophobicContact CD1-CE1 4.49Å; L28-Y227 HydrophobicContact CD1-CE2 3.77Å; L28-Y227 HydrophobicContact CD1-CG 3.61Å; L28-Y227 HydrophobicContact CG-CD2 4.23Å; L28-Y227 HydrophobicContact CG-CE2 4.24Å
29D87.1Confident88.3Confident49 Ų4923.4 Ų23.426%0.26210%0.103SC..Hα-helixtrans-58.7-49.5172.2-72.9-28.4000111.7N25 R26 C27 W33N25-D29 PolarHBondContact O-N 3.14Å; R26-D29 IonicContact NH1-OD2 3.87Å; R26-D29 PolarHBondContact NH1-OD2 2.99Å; R26-D29 PolarHBondContact O-N 3.19Å; C27-D29 VanDerWaalsContact C-N 3.32Å; C27-D29 PolarHBondContact O-N 2.6Å; D29-W33 PolarHBondContact O-N 3.17Å
30D91.7Very high88.8Confident7 Ų727.7 Ų27.74%0.03712%0.121CC..Hα-helixtrans-68-39.5-179.2-79.914.8000111.4R26 C27 W33 F34 K76 F179 H180 H181R26-D30 PolarHBondContact O-N 3.35Å; C27-D30 PolarHBondContact O-N 2.83Å; D30-W33 PolarHBondContact O-N 2.84Å; D30-F34 WeakPolarHBondContact O-CB 3.3Å; D30-F34 PolarHBondContact O-N 3.26Å; D30-K76 HydrophobicContact CB-CD 4.04Å; D30-K76 IonicContact OD2-NZ 3.15Å; D30-K76 PolarHBondContact OD2-NZ 2.87Å; D30-F179 WeakPolarHBondContact OD2-CA 3.26Å; D30-H180 PolarHBondContact OD2-N 3.03Å; D30-H181 IonicContact OD1-CD2 3.52Å; D30-H181 PolarHBondContact OD1-CD2 3.46Å; D30-H181 VanDerWaalsContact OD1-CD2 3.31Å; D30-H181 IonicContact OD1-CG 2.94Å
31I93Very high89Confident0 Ų027.1 Ų27.10%012%0.118CC..Hα-helixtrans-65.3-43.6176.7-67.8161.2000110.6C27 L28 W33 F34 E35 K76 I77 Y101 L102 I105C27-I31 HydrophobicContact CB-CD1 4.22Å; C27-I31 WeakPolarHBondContact O-CB 3.35Å; C27-I31 WeakPolarHBondContact O-CD1 3.39Å; C27-I31 WeakPolarHBondContact O-CG1 3.25Å; C27-I31 PolarHBondContact O-N 3.48Å; L28-I31 HydrophobicContact CD2-CD1 4.49Å; L28-I31 PolarHBondContact O-N 3.12Å; I31-W33 VanDerWaalsContact C-N 3.33Å; I31-W33 PolarHBondContact O-N 2.92Å; I31-F34 WeakPolarHBondContact O-CB 3.46Å; I31-F34 PolarHBondContact O-N 3.15Å; I31-E35 WeakPolarHBondContact O-CB 3.39Å; I31-E35 PolarHBondContact O-N 3.49Å; I31-K76 HydrophobicContact CD1-CB 4.27Å; I31-K76 HydrophobicContact CG1-CB 4.3Å; I31-I77 HydrophobicContact CD1-CB 4.48Å; I31-I77 HydrophobicContact CD1-CG1 3.7Å; I31-I77 HydrophobicContact CG1-CG1 3.91Å; I31-I77 HydrophobicContact CG2-CG1 4.3Å; I31-Y101 HydrophobicContact CG2-CE1 4.19Å; I31-L102 HydrophobicContact CD1-CD2 3.82Å; I31-L102 HydrophobicContact CG2-CD2 4.22Å; I31-I105 HydrophobicContact CG2-CD1 3.51Å
32E90.4Very high89.2Confident15 Ų1528.7 Ų28.77%0.0713%0.127CC..Hα-helixtrans-63.7-40.6177.2-172.6-169.8169.200111.1L28 K36 G223L28-E32 VanDerWaalsContact O-CB 3.25Å; L28-E32 WeakPolarHBondContact O-CB 3.17Å; L28-E32 PolarHBondContact O-N 3.06Å; E32-K36 HydrophobicContact CG-CD 4.4Å; E32-K36 WeakPolarHBondContact O-CB 3.3Å; E32-K36 VanDerWaalsContact O-CG 3.27Å; E32-K36 WeakPolarHBondContact O-CG 3.4Å; E32-K36 PolarHBondContact O-N 2.83Å; E32-K36 WeakPolarHBondContact OE1-CE 3.36Å; E32-K36 IonicContact OE1-NZ 2.61Å; E32-K36 PolarHBondContact OE1-NZ 2.93Å; E32-G223 WeakPolarHBondContact OE1-CA 3.34Å; E32-G223 PolarHBondContact OE1-N 3.42Å; E32-G223 VanDerWaalsContact OE1-N 3.14Å
33W90Very high89.3Confident103 Ų10334.8 Ų34.839%0.3915%0.149SC..Hα-helixtrans-61.7-47173.5174.490.1000111.6D29 D30 I31 E35 K36 K37 I69 H181D29-W33 PolarHBondContact O-N 3.17Å; D30-W33 PolarHBondContact O-N 2.84Å; I31-W33 VanDerWaalsContact C-N 3.33Å; I31-W33 PolarHBondContact O-N 2.92Å; W33-E35 PolarHBondContact O-N 3.31Å; W33-K36 PolarHBondContact O-N 3.26Å; W33-K37 HydrophobicContact CH2-CD 3.87Å; W33-K37 HydrophobicContact CZ2-CD 4.02Å; W33-K37 PolarHBondContact O-N 3.43Å; W33-I69 HydrophobicContact CH2-CG2 4.4Å; W33-I69 HydrophobicContact CZ3-CG2 3.84Å; W33-H181 AromaticContact CD1-CE1 3.6Å; W33-H181 AromaticContact CD1-NE2 3.42Å; W33-H181 AromaticContact CD2-CE1 3.79Å; W33-H181 AromaticContact CD2-NE2 3.24Å; W33-H181 AromaticContact CE2-CE1 3.76Å; W33-H181 AromaticContact CE2-NE2 3.71Å; W33-H181 AromaticContact CE3-NE2 3.78Å; W33-H181 AromaticContact CG-CE1 3.72Å; W33-H181 AromaticContact CG-NE2 3.08Å; W33-H181 AromaticContact NE1-CE1 3.61Å; W33-H181 AromaticContact NE1-NE2 3.77Å
34F92.9Very high89Confident2 Ų236.4 Ų36.41%0.00916%0.161CC..Hα-helixtrans-59.1-49.2177.6169.9-89.9000111.1D30 I31 K36 K37 L38 P65 I69 T70 C73 I109D30-F34 WeakPolarHBondContact O-CB 3.3Å; D30-F34 PolarHBondContact O-N 3.26Å; I31-F34 WeakPolarHBondContact O-CB 3.46Å; I31-F34 PolarHBondContact O-N 3.15Å; F34-K36 VanDerWaalsContact C-N 3.27Å; F34-K36 PolarHBondContact O-N 2.81Å; F34-K37 WeakPolarHBondContact O-CB 3.4Å; F34-K37 PolarHBondContact O-N 3.02Å; F34-L38 HydrophobicContact CE1-CB 4.23Å; F34-L38 HydrophobicContact CE1-CD2 3.88Å; F34-L38 HydrophobicContact CZ-CD1 4.47Å; F34-L38 HydrophobicContact CZ-CD2 4.35Å; F34-L38 WeakPolarHBondContact O-CB 3.18Å; F34-L38 PolarHBondContact O-N 3.46Å; F34-P65 HydrophobicContact CD2-CB 3.91Å; F34-P65 HydrophobicContact CD2-CG 3.96Å; F34-P65 HydrophobicContact CE2-CB 3.48Å; F34-P65 VanDerWaalsContact CE2-CB 3.48Å; F34-P65 HydrophobicContact CE2-CG 3.62Å; F34-P65 HydrophobicContact CZ-CB 4.41Å; F34-P65 HydrophobicContact CZ-CG 4.23Å; F34-I69 HydrophobicContact CD2-CG2 3.96Å; F34-I69 HydrophobicContact CE2-CG2 4.45Å; F34-T70 HydrophobicContact CE2-CG2 4.23Å; F34-T70 HydrophobicContact CZ-CG2 3.98Å; F34-C73 HydrophobicContact CB-CB 4.21Å; F34-C73 HydrophobicContact CD1-CB 4.1Å; F34-C73 WeakPolarHBondContact CD1-SG 3.08Å; F34-C73 HydrophobicContact CD2-CB 3.78Å; F34-C73 HydrophobicContact CE1-CB 4.46Å; F34-C73 HydrophobicContact CE2-CB 4.15Å; F34-C73 HydrophobicContact CG-CB 3.74Å; F34-C73 WeakPolarHBondContact CG-SG 3.48Å; F34-C73 HydrophobicContact CZ-CB 4.48Å; F34-I109 HydrophobicContact CE1-CD1 3.59Å; F34-I109 HydrophobicContact CE1-CG1 4.03Å; F34-I109 HydrophobicContact CZ-CD1 3.92Å; F34-I109 HydrophobicContact CZ-CG1 4.26Å
35E91.8Very high87.8Confident29 Ų2938.3 Ų38.314%0.13618%0.175CC..Hα-helixtrans-61.8-38.7-178.7-166.1-142.6150.300111.1I31 W33 L38 R39 Y101 I105I31-E35 WeakPolarHBondContact O-CB 3.39Å; I31-E35 PolarHBondContact O-N 3.49Å; W33-E35 PolarHBondContact O-N 3.31Å; E35-L38 PolarHBondContact O-N 3.44Å; E35-R39 WeakPolarHBondContact O-CB 3.45Å; E35-R39 PolarHBondContact O-N 2.93Å; E35-R39 IonicContact OE1-CZ 3.84Å; E35-R39 IonicContact OE1-NH2 2.84Å; E35-R39 PolarHBondContact OE1-NH2 3.07Å; E35-R39 IonicContact OE2-NH2 3.64Å; E35-Y101 WeakPolarHBondContact OE2-CE2 3.43Å; E35-Y101 VanDerWaalsContact OE2-CZ 3.31Å; E35-Y101 PolarHBondContact OE2-OH 2.9Å; E35-I105 HydrophobicContact CB-CD1 4.17Å; E35-I105 HydrophobicContact CG-CD1 4Å; E35-I105 HydrophobicContact CG-CG1 4.16Å
36K89.1Confident86.3Confident81 Ų8142.5 Ų42.535%0.35220%0.203SC..Hα-helixtrans-61.7-44.5172.4-76.3171.2-176.3169.50112.4E32 W33 F34 K40E32-K36 HydrophobicContact CG-CD 4.4Å; E32-K36 WeakPolarHBondContact O-CB 3.3Å; E32-K36 VanDerWaalsContact O-CG 3.27Å; E32-K36 WeakPolarHBondContact O-CG 3.4Å; E32-K36 PolarHBondContact O-N 2.83Å; E32-K36 WeakPolarHBondContact OE1-CE 3.36Å; E32-K36 IonicContact OE1-NZ 2.61Å; E32-K36 PolarHBondContact OE1-NZ 2.93Å; W33-K36 PolarHBondContact O-N 3.26Å; F34-K36 VanDerWaalsContact C-N 3.27Å; F34-K36 PolarHBondContact O-N 2.81Å; K36-K40 WeakPolarHBondContact O-CG 3.38Å; K36-K40 PolarHBondContact O-N 2.65Å; K36-K40 VanDerWaalsContact O-N 3.15Å
37K90.3Very high84.8Confident49 Ų4950.6 Ų50.621%0.21324%0.241CC..Hα-helixtrans-64.2-46.5176.7-170.7173-179.21770111W33 F34 R39 K40 S41 E63 P65W33-K37 HydrophobicContact CH2-CD 3.87Å; W33-K37 HydrophobicContact CZ2-CD 4.02Å; W33-K37 PolarHBondContact O-N 3.43Å; F34-K37 WeakPolarHBondContact O-CB 3.4Å; F34-K37 PolarHBondContact O-N 3.02Å; K37-R39 PolarHBondContact O-N 3.32Å; K37-K40 PolarHBondContact O-N 2.94Å; K37-S41 PolarHBondContact O-N 2.71Å; K37-E63 WeakPolarHBondContact CE-O 3.41Å; K37-P65 HydrophobicContact CB-CG 4.23Å; K37-P65 HydrophobicContact CD-CG 4.19Å; K37-P65 HydrophobicContact CG-CG 4.03Å
38L91.4Very high82.8Confident1 Ų157.8 Ų57.81%0.00528%0.275CS..Hα-helixtrans-57.7-44.1176.9-17669.8000112.2F34 E35 S41 L42 P65 K108 I109 I112 F118F34-L38 HydrophobicContact CE1-CB 4.23Å; F34-L38 HydrophobicContact CE1-CD2 3.88Å; F34-L38 HydrophobicContact CZ-CD1 4.47Å; F34-L38 HydrophobicContact CZ-CD2 4.35Å; F34-L38 WeakPolarHBondContact O-CB 3.18Å; F34-L38 PolarHBondContact O-N 3.46Å; E35-L38 PolarHBondContact O-N 3.44Å; L38-S41 PolarHBondContact O-N 3.48Å; L38-S41 PolarHBondContact O-OG 3.41Å; L38-L42 HydrophobicContact CG-CD1 4.15Å; L38-L42 WeakPolarHBondContact O-CD1 3.17Å; L38-L42 VanDerWaalsContact O-CG 3.22Å; L38-L42 WeakPolarHBondContact O-CG 3.25Å; L38-L42 PolarHBondContact O-N 3.48Å; L38-L42 VanDerWaalsContact O-N 3.07Å; L38-P65 HydrophobicContact CB-CG 4.32Å; L38-P65 HydrophobicContact CD1-CG 4.48Å; L38-K108 HydrophobicContact CD2-CD 4.43Å; L38-I109 HydrophobicContact CD2-CG1 4.03Å; L38-I112 HydrophobicContact CD1-CD1 4.14Å; L38-I112 HydrophobicContact CD2-CD1 4.19Å; L38-I112 HydrophobicContact CG-CD1 4.36Å; L38-F118 HydrophobicContact CD1-CE2 3.64Å; L38-F118 HydrophobicContact CD1-CZ 4.23Å
39R90.3Very high81Confident43 Ų4363.3 Ų63.316%0.16230%0.304CS..Hα-helixtrans-65.6-40.5178.5-164.9-173.7-41.287.99.7112E35 K37 L42 R43 E218E35-R39 WeakPolarHBondContact O-CB 3.45Å; E35-R39 PolarHBondContact O-N 2.93Å; E35-R39 IonicContact OE1-CZ 3.84Å; E35-R39 IonicContact OE1-NH2 2.84Å; E35-R39 PolarHBondContact OE1-NH2 3.07Å; E35-R39 IonicContact OE2-NH2 3.64Å; K37-R39 PolarHBondContact O-N 3.32Å; R39-L42 PolarHBondContact O-N 3.1Å; R39-R43 WeakPolarHBondContact O-CG 3.5Å; R39-R43 PolarHBondContact O-N 2.92Å; R39-R43 VanDerWaalsContact O-N 3.15Å; R39-E218 IonicContact NE-OE1 3.78Å
40K89.1Confident79.1Confident125 Ų12568.6 Ų68.654%0.54333%0.332SS..Hα-helixtrans-63.5-43.5177.2-74.5179.9178.3-170.40111.8K36 K37 R43 S44K36-K40 WeakPolarHBondContact O-CG 3.38Å; K36-K40 PolarHBondContact O-N 2.65Å; K36-K40 VanDerWaalsContact O-N 3.15Å; K37-K40 PolarHBondContact O-N 2.94Å; K40-R43 PolarHBondContact O-N 3.31Å; K40-S44 PolarHBondContact O-N 2.87Å; K40-S44 VanDerWaalsContact O-N 3.17Å; K40-S44 PolarHBondContact O-OG 3.34Å
41S87.7Confident77.1Confident3 Ų375.6 Ų75.62%0.02137%0.37CS..Hα-helixtrans-67.5-37.2178.5660000112.4K37 L38 R43 S44 S45 D62 P64 F118K37-S41 PolarHBondContact O-N 2.71Å; L38-S41 PolarHBondContact O-N 3.48Å; L38-S41 PolarHBondContact O-OG 3.41Å; S41-R43 PolarHBondContact O-N 3.29Å; S41-S44 PolarHBondContact O-N 3.5Å; S41-S45 PolarHBondContact O-N 2.97Å; S41-D62 WeakPolarHBondContact CA-O 3.46Å; S41-D62 WeakPolarHBondContact CB-O 3.47Å; S41-P64 VanDerWaalsContact CB-CA 3.49Å; S41-F118 WeakPolarHBondContact OG-CZ 3.32Å
42L86.9Confident75Confident37 Ų3785 Ų8519%0.19441%0.41CS..Hα-helixtrans-63.8-40175.4-70.9166.2000112.9L38 R39 S44 S45 I112 K117 F118L38-L42 HydrophobicContact CG-CD1 4.15Å; L38-L42 WeakPolarHBondContact O-CD1 3.17Å; L38-L42 VanDerWaalsContact O-CG 3.22Å; L38-L42 WeakPolarHBondContact O-CG 3.25Å; L38-L42 PolarHBondContact O-N 3.48Å; L38-L42 VanDerWaalsContact O-N 3.07Å; R39-L42 PolarHBondContact O-N 3.1Å; L42-S44 VanDerWaalsContact C-N 3.26Å; L42-S44 PolarHBondContact O-N 3.22Å; L42-S45 WeakPolarHBondContact O-CB 3.3Å; L42-S45 PolarHBondContact O-N 3.43Å; L42-I112 HydrophobicContact CD1-CD1 3.6Å; L42-I112 HydrophobicContact CD2-CD1 3.8Å; L42-I112 HydrophobicContact CD2-CG1 4.05Å; L42-I112 HydrophobicContact CG-CD1 4.2Å; L42-K117 HydrophobicContact CD2-CD 4.33Å; L42-F118 HydrophobicContact CD2-CE1 4.11Å; L42-F118 HydrophobicContact CD2-CE2 4.21Å; L42-F118 HydrophobicContact CD2-CZ 3.51Å; L42-F118 HydrophobicContact CG-CZ 3.86Å
43R84.8Confident72.7Confident146 Ų14693.3 Ų93.355%0.55145%0.449SS*.Hα-helixtrans-72.7-17.8176.4-70.1-179.6-178.3173.52.3113.6R39 K40 S41R39-R43 WeakPolarHBondContact O-CG 3.5Å; R39-R43 PolarHBondContact O-N 2.92Å; R39-R43 VanDerWaalsContact O-N 3.15Å; K40-R43 PolarHBondContact O-N 3.31Å; S41-R43 PolarHBondContact O-N 3.29Å
44S77.7Confident70.8Confident41 Ų4195.7 Ų95.729%0.28747%0.468SS..THydrogen-bonded Turntrans-96.9-3.9180-500000112.5K40 S41 L42K40-S44 PolarHBondContact O-N 2.87Å; K40-S44 VanDerWaalsContact O-N 3.17Å; K40-S44 PolarHBondContact O-OG 3.34Å; S41-S44 PolarHBondContact O-N 3.5Å; L42-S44 VanDerWaalsContact C-N 3.26Å; L42-S44 PolarHBondContact O-N 3.22Å
45S63.9Low68.5Low41 Ų41101 Ų10129%0.28750%0.5SS..SBendtrans-63.4141.1-179.7-170.10000110.3S41 L42 Q47S41-S45 PolarHBondContact O-N 2.97Å; L42-S45 WeakPolarHBondContact O-CB 3.3Å; L42-S45 PolarHBondContact O-N 3.43Å; S45-Q47 PolarHBondContact O-N 3.15Å
46P55.2Low66.3Low106 Ų106106 Ų10669%0.68853%0.528SS*.G310 helixtrans-59.90.2-163-25.934.2000118.6E48P46-E48 VanDerWaalsContact C-N 3.31Å; P46-E48 PolarHBondContact O-N 3.05Å
47Q54.2Low64Low184 Ų184109.4 Ų109.486%0.8655%0.549SS*.G310 helixtrans-77.5-9.4179.1-88.8-177.8-4900114.5S45S45-Q47 PolarHBondContact O-N 3.15Å
48E51.4Low61.8Low151 Ų151114.9 Ų114.971%0.70657%0.572SS**G310 helixtrans-119.912.9-178.4-66.1-175.9179.400113.9P46P46-E48 VanDerWaalsContact C-N 3.31Å; P46-E48 PolarHBondContact O-N 3.05Å
49L51.4Low59.6Low117 Ų117118.9 Ų118.961%0.61360%0.601SS**  trans-9921.7-171.5-67.5-179.9000115.5D51L49-D51 PolarHBondContact O-N 2.96Å
50D47.6Very low57.7Low159 Ų159124 Ų12485%0.8563%0.631SS**SBendtrans-80.2-7.8-179.9-83.7-12.5000115.1
51D50.2Low56.1Low155 Ų155121.6 Ų121.683%0.82963%0.627SS**SBendtrans-127.612-168.5-81.7-28.3000117.8L49L49-D51 PolarHBondContact O-N 2.96Å
52K48.7Very low55.1Low196 Ų196123.9 Ų123.985%0.85264%0.639SS**  trans-135.177.4-179.3-65.8-176.7-176.2170.20114.3I54K52-I54 PolarHBondContact O-N 3.46Å
53H42.9Very low54.7Low190 Ų190127.5 Ų127.588%0.8866%0.655SS**  trans-57.8115.5143.7-96.8-88.9000108.4
54I50.2Low54.7Low153 Ų153121.8 Ų121.879%0.78564%0.637SS**  trans177.5100.6148-86.2148.6000107.2K52K52-I54 PolarHBondContact O-N 3.46Å
55T44.6Very low55.2Low113 Ų113119.9 Ų119.969%0.69362%0.623SS**  trans40.1134139.167.90000121.2
56N44Very low56.5Low134 Ų134121.6 Ų121.672%0.71763%0.629SS**  trans90.7104.5146.4-66.9-17.9000119.4
57I41.2Very low58.3Low154 Ų154118.9 Ų118.979%0.7961%0.613SS**  trans49.979.5138.5-43.1173.8000114.8
58K44.5Very low60.2Low163 Ų163115 Ų11571%0.70960%0.602SS**  trans-107.887.4161.4-71.5-171.8-173.71710110.3N60 D62K58-N60 PolarHBondContact O-N 2.88Å; K58-D62 WeakPolarHBondContact CD-OD2 3.35Å
59S44.6Very low62.2Low86 Ų86110 Ų11060%0.60158%0.58SS**  trans-60.7116.3168.752.50000111.2T61S59-T61 PolarHBondContact O-N 3.4Å
60N50.5Low64.2Low149 Ų149104.5 Ų104.580%0.79755%0.551SS**SBendtrans53.5-0.7156.2-59.5-10.5000120.5K58K58-N60 PolarHBondContact O-N 2.88Å
61T56.6Low66.5Low76 Ų76100 Ų10047%0.46653%0.526SS..SBendtrans-87.4-17.7-17454.40000115S59S59-T61 PolarHBondContact O-N 3.4Å
62D66.4Low68.7Low51 Ų5193.9 Ų93.927%0.27349%0.494SS..SBendtrans-97.6-7.6-167.1-60-11.3000112.2S41 K58S41-D62 WeakPolarHBondContact CA-O 3.46Å; S41-D62 WeakPolarHBondContact CB-O 3.47Å; K58-D62 WeakPolarHBondContact CD-OD2 3.35Å
63E79.1Confident70.9Confident112 Ų11284.8 Ų84.852%0.52345%0.454SS..SBendtrans-69.7139.3174.1-164.1-178.617300110.8K37K37-E63 WeakPolarHBondContact CE-O 3.41Å
64P82.9Confident73.5Confident27 Ų2775.7 Ų75.718%0.17541%0.412CS..PPolyproline II helixtrans-51.1148.5172.121.2-34.4000112.3S41 N66 F118S41-P64 VanDerWaalsContact CB-CA 3.49Å; P64-N66 PolarHBondContact O-N 3.4Å; P64-F118 HydrophobicContact CB-CB 4.46Å; P64-F118 HydrophobicContact CB-CD1 3.69Å; P64-F118 HydrophobicContact CB-CD2 3.77Å; P64-F118 HydrophobicContact CB-CE1 3.75Å; P64-F118 HydrophobicContact CB-CE2 3.81Å; P64-F118 HydrophobicContact CB-CG 3.71Å; P64-F118 HydrophobicContact CB-CZ 3.81Å; P64-F118 HydrophobicContact CG-CB 4.36Å; P64-F118 HydrophobicContact CG-CD1 3.75Å; P64-F118 HydrophobicContact CG-CE1 4.14Å; P64-F118 HydrophobicContact CG-CG 3.96Å
65P90Very high75.8Confident0 Ų070.5 Ų70.50%039%0.385CS..PPolyproline II helixtrans-51.9131.8168.4-20.230.4000109.1F34 K37 L38 I69 Y121F34-P65 HydrophobicContact CD2-CB 3.91Å; F34-P65 HydrophobicContact CD2-CG 3.96Å; F34-P65 HydrophobicContact CE2-CB 3.48Å; F34-P65 VanDerWaalsContact CE2-CB 3.48Å; F34-P65 HydrophobicContact CE2-CG 3.62Å; F34-P65 HydrophobicContact CZ-CB 4.41Å; F34-P65 HydrophobicContact CZ-CG 4.23Å; K37-P65 HydrophobicContact CB-CG 4.23Å; K37-P65 HydrophobicContact CD-CG 4.19Å; K37-P65 HydrophobicContact CG-CG 4.03Å; L38-P65 HydrophobicContact CB-CG 4.32Å; L38-P65 HydrophobicContact CD1-CG 4.48Å; P65-I69 HydrophobicContact CB-CG2 4.12Å; P65-Y121 WeakPolarHBondContact O-CE1 3.32Å; P65-Y121 VanDerWaalsContact O-CZ 3.26Å; P65-Y121 PolarHBondContact O-OH 3.4Å
66N90.8Very high78.3Confident77 Ų7765.1 Ų65.141%0.41235%0.352SS..PPolyproline II helixtrans-65.2171.717866.922.5000111.6P64 T68 I69 T70P64-N66 PolarHBondContact O-N 3.4Å; N66-T68 VanDerWaalsContact C-N 3.35Å; N66-T68 PolarHBondContact O-N 3.49Å; N66-T68 PolarHBondContact OD1-N 2.94Å; N66-I69 PolarHBondContact O-N 2.93Å; N66-I69 VanDerWaalsContact OD1-CB 3.32Å; N66-I69 WeakPolarHBondContact OD1-CB 3.32Å; N66-I69 WeakPolarHBondContact OD1-CD1 3.45Å; N66-I69 WeakPolarHBondContact OD1-CG1 3.43Å; N66-I69 PolarHBondContact OD1-N 2.69Å; N66-T70 WeakPolarHBondContact O-CB 3.42Å; N66-T70 PolarHBondContact O-N 3.48Å; N66-T70 PolarHBondContact O-OG1 2.86Å
67S92.9Very high80.8Confident50 Ų5058.7 Ų58.735%0.3532%0.318SS..Hα-helixtrans-59.1-43.6-177.954.40000112.4I69 T70 I71S67-I69 PolarHBondContact O-N 3.34Å; S67-T70 WeakPolarHBondContact O-CB 3.5Å; S67-T70 PolarHBondContact O-N 3.26Å; S67-T70 VanDerWaalsContact O-N 3.15Å; S67-I71 VanDerWaalsContact O-CG1 3.3Å; S67-I71 WeakPolarHBondContact O-CG1 3.28Å; S67-I71 PolarHBondContact O-N 2.78Å
68T93Very high83.5Confident102 Ų10251.4 Ų51.463%0.62628%0.28SS*.Hα-helixtrans-59-47.9179.6-49.30000112.5N66 T70 I71 D72N66-T68 VanDerWaalsContact C-N 3.35Å; N66-T68 PolarHBondContact O-N 3.49Å; N66-T68 PolarHBondContact OD1-N 2.94Å; T68-T70 VanDerWaalsContact C-N 3.27Å; T68-T70 PolarHBondContact O-N 3.16Å; T68-I71 PolarHBondContact O-N 2.88Å; T68-D72 WeakPolarHBondContact O-CB 3.37Å; T68-D72 PolarHBondContact O-N 3.19Å
69I93.3Very high86Confident47 Ų4745.6 Ų45.624%0.24125%0.254CS..Hα-helixtrans-65.2-35.9178.1-68.4168.3000110.6W33 F34 P65 N66 S67 C73W33-I69 HydrophobicContact CH2-CG2 4.4Å; W33-I69 HydrophobicContact CZ3-CG2 3.84Å; F34-I69 HydrophobicContact CD2-CG2 3.96Å; F34-I69 HydrophobicContact CE2-CG2 4.45Å; P65-I69 HydrophobicContact CB-CG2 4.12Å; N66-I69 PolarHBondContact O-N 2.93Å; N66-I69 VanDerWaalsContact OD1-CB 3.32Å; N66-I69 WeakPolarHBondContact OD1-CB 3.32Å; N66-I69 WeakPolarHBondContact OD1-CD1 3.45Å; N66-I69 WeakPolarHBondContact OD1-CG1 3.43Å; N66-I69 PolarHBondContact OD1-N 2.69Å; S67-I69 PolarHBondContact O-N 3.34Å; I69-C73 WeakPolarHBondContact O-CB 3.47Å; I69-C73 PolarHBondContact O-N 2.92Å
70T94.9Very high88.4Confident0 Ų041.5 Ų41.50%023%0.225CC..Hα-helixtrans-68.7-44.2178.9-55.20000111.6F34 N66 S67 T68 C73 L74 I109 Y121 I125F34-T70 HydrophobicContact CE2-CG2 4.23Å; F34-T70 HydrophobicContact CZ-CG2 3.98Å; N66-T70 WeakPolarHBondContact O-CB 3.42Å; N66-T70 PolarHBondContact O-N 3.48Å; N66-T70 PolarHBondContact O-OG1 2.86Å; S67-T70 WeakPolarHBondContact O-CB 3.5Å; S67-T70 PolarHBondContact O-N 3.26Å; S67-T70 VanDerWaalsContact O-N 3.15Å; T68-T70 VanDerWaalsContact C-N 3.27Å; T68-T70 PolarHBondContact O-N 3.16Å; T70-C73 WeakPolarHBondContact O-CB 3.49Å; T70-C73 PolarHBondContact O-N 2.96Å; T70-L74 HydrophobicContact CG2-CD1 4.12Å; T70-L74 VanDerWaalsContact O-CG 3.28Å; T70-L74 WeakPolarHBondContact O-CG 3.34Å; T70-L74 PolarHBondContact O-N 3.15Å; T70-I109 HydrophobicContact CG2-CG2 3.83Å; T70-Y121 HydrophobicContact CG2-CE2 4.2Å; T70-Y121 PolarHBondContact OG1-OH 3.47Å; T70-I125 HydrophobicContact CG2-CD1 3.83Å; T70-I125 HydrophobicContact CG2-CG1 4.46Å
71I95.6Very high90.7Very high65 Ų6534.4 Ų34.433%0.33319%0.187SC..Hα-helixtrans-60.4-51.2174.6-68.3163.8000109.5S67 T68 C73 L74 Q75 I125 V129S67-I71 VanDerWaalsContact O-CG1 3.3Å; S67-I71 WeakPolarHBondContact O-CG1 3.28Å; S67-I71 PolarHBondContact O-N 2.78Å; T68-I71 PolarHBondContact O-N 2.88Å; I71-C73 VanDerWaalsContact C-N 3.29Å; I71-C73 PolarHBondContact O-N 3.26Å; I71-L74 WeakPolarHBondContact O-CB 3.32Å; I71-L74 PolarHBondContact O-N 3.47Å; I71-Q75 HydrophobicContact CG2-CG 4.3Å; I71-Q75 VanDerWaalsContact O-CG 3.29Å; I71-Q75 WeakPolarHBondContact O-CG 3.45Å; I71-Q75 PolarHBondContact O-N 3.5Å; I71-I125 HydrophobicContact CG1-CG1 4.06Å; I71-V129 HydrophobicContact CG1-CG2 4.47Å; I71-V129 HydrophobicContact CG2-CG2 4.31Å
72D95.5Very high92.6Very high27 Ų2731.7 Ų31.714%0.14417%0.17CC..Hα-helixtrans-55.5-42.1177.1170.370.4000112.5T68 Q75 K76 H180T68-D72 WeakPolarHBondContact O-CB 3.37Å; T68-D72 PolarHBondContact O-N 3.19Å; D72-Q75 PolarHBondContact O-N 3.47Å; D72-K76 VanDerWaalsContact CG-NZ 3.26Å; D72-K76 WeakPolarHBondContact O-CG 3.19Å; D72-K76 PolarHBondContact O-N 3.19Å; D72-K76 WeakPolarHBondContact OD1-CE 3.49Å; D72-K76 IonicContact OD1-NZ 2.76Å; D72-K76 PolarHBondContact OD1-NZ 3.22Å; D72-K76 VanDerWaalsContact OD1-NZ 3.13Å; D72-K76 WeakPolarHBondContact OD2-CE 3.12Å; D72-K76 IonicContact OD2-NZ 3.84Å; D72-K76 PolarHBondContact OD2-NZ 3.11Å; D72-H180 IonicContact OD1-CE1 2.76Å; D72-H180 IonicContact OD2-CE1 2.55Å; D72-H180 PolarHBondContact OD2-CE1 3.1Å; D72-H180 IonicContact OD2-ND1 3.31Å
73C96.1Very high93.8Very high4 Ų429.6 Ų29.63%0.02716%0.159CC..Hα-helixtrans-61.9-48.6173.8-177.80000112F34 I69 T70 I71 Q75 K76 I77F34-C73 HydrophobicContact CB-CB 4.21Å; F34-C73 HydrophobicContact CD1-CB 4.1Å; F34-C73 WeakPolarHBondContact CD1-SG 3.08Å; F34-C73 HydrophobicContact CD2-CB 3.78Å; F34-C73 HydrophobicContact CE1-CB 4.46Å; F34-C73 HydrophobicContact CE2-CB 4.15Å; F34-C73 HydrophobicContact CG-CB 3.74Å; F34-C73 WeakPolarHBondContact CG-SG 3.48Å; F34-C73 HydrophobicContact CZ-CB 4.48Å; I69-C73 WeakPolarHBondContact O-CB 3.47Å; I69-C73 PolarHBondContact O-N 2.92Å; T70-C73 WeakPolarHBondContact O-CB 3.49Å; T70-C73 PolarHBondContact O-N 2.96Å; I71-C73 VanDerWaalsContact C-N 3.29Å; I71-C73 PolarHBondContact O-N 3.26Å; C73-Q75 VanDerWaalsContact C-N 3.3Å; C73-Q75 PolarHBondContact O-N 3.33Å; C73-K76 CarbonylContact O-C 3.28Å; C73-K76 WeakPolarHBondContact O-CB 3.46Å; C73-K76 PolarHBondContact O-N 3.47Å; C73-K76 VanDerWaalsContact O-N 3.14Å; C73-I77 VanDerWaalsContact O-CG1 3.31Å; C73-I77 WeakPolarHBondContact O-CG1 3.41Å; C73-I77 PolarHBondContact O-N 3.02Å
74L97.5Very high94.5Very high0 Ų024.3 Ų24.30%013%0.134CC..Hα-helixtrans-59.8-40.9178.6-71.8164.5000111.8T70 I71 I77 K78 I106 I109 V126 V129 W161T70-L74 HydrophobicContact CG2-CD1 4.12Å; T70-L74 VanDerWaalsContact O-CG 3.28Å; T70-L74 WeakPolarHBondContact O-CG 3.34Å; T70-L74 PolarHBondContact O-N 3.15Å; I71-L74 WeakPolarHBondContact O-CB 3.32Å; I71-L74 PolarHBondContact O-N 3.47Å; L74-I77 WeakPolarHBondContact O-CB 3.48Å; L74-I77 PolarHBondContact O-N 2.68Å; L74-K78 WeakPolarHBondContact O-CG 3.43Å; L74-K78 PolarHBondContact O-N 2.91Å; L74-I106 HydrophobicContact CD2-CG1 4.4Å; L74-I109 HydrophobicContact CD1-CG2 4.47Å; L74-I109 HydrophobicContact CD2-CD1 3.72Å; L74-I109 HydrophobicContact CG-CD1 4.19Å; L74-V126 HydrophobicContact CD1-CB 4.38Å; L74-V126 HydrophobicContact CD1-CG1 4.49Å; L74-V126 HydrophobicContact CD1-CG2 4.05Å; L74-V126 HydrophobicContact CD2-CG1 4.14Å; L74-V126 HydrophobicContact CD2-CG2 4.39Å; L74-V129 HydrophobicContact CB-CB 4.43Å; L74-V129 HydrophobicContact CB-CG1 4.16Å; L74-V129 HydrophobicContact CB-CG2 3.92Å; L74-V129 HydrophobicContact CD1-CG2 3.75Å; L74-V129 HydrophobicContact CG-CG2 4.5Å; L74-W161 HydrophobicContact CB-CH2 4.49Å; L74-W161 HydrophobicContact CB-CZ2 4.45Å; L74-W161 HydrophobicContact CD2-CH2 4.16Å; L74-W161 HydrophobicContact CD2-CZ2 4.22Å
75Q97.5Very high95Very high43 Ų4324.3 Ų24.320%0.20113%0.132CC..Hα-helixtrans-63.4-42.4175-62.7-176.2-59.800111.8I71 D72 C73 I77 K78 Y79 V129 E131 P132 Y175I71-Q75 HydrophobicContact CG2-CG 4.3Å; I71-Q75 VanDerWaalsContact O-CG 3.29Å; I71-Q75 WeakPolarHBondContact O-CG 3.45Å; I71-Q75 PolarHBondContact O-N 3.5Å; D72-Q75 PolarHBondContact O-N 3.47Å; C73-Q75 VanDerWaalsContact C-N 3.3Å; C73-Q75 PolarHBondContact O-N 3.33Å; Q75-I77 VanDerWaalsContact C-N 3.3Å; Q75-I77 PolarHBondContact O-N 3.34Å; Q75-K78 PolarHBondContact O-N 2.93Å; Q75-Y79 WeakPolarHBondContact O-CB 3.34Å; Q75-Y79 PolarHBondContact O-N 3.43Å; Q75-V129 HydrophobicContact CB-CG1 4.46Å; Q75-V129 HydrophobicContact CG-CG1 3.49Å; Q75-V129 VanDerWaalsContact CG-CG1 3.49Å; Q75-E131 WeakPolarHBondContact CG-O 3.21Å; Q75-E131 PolarHBondContact NE2-O 3.21Å; Q75-E131 VanDerWaalsContact NE2-O 3.11Å; Q75-P132 WeakPolarHBondContact O-CD 3.29Å; Q75-Y175 HydrophobicContact CB-CD2 4.36Å; Q75-Y175 HydrophobicContact CB-CE2 3.46Å; Q75-Y175 VanDerWaalsContact CB-CE2 3.46Å; Q75-Y175 WeakPolarHBondContact CB-OH 3.23Å; Q75-Y175 HydrophobicContact CG-CE2 4.15Å
76K96.8Very high95.1Very high0 Ų030.7 Ų30.70%016%0.16CC..Hα-helixtrans-63-35.1173-74.6168.4-174163.90112.5C27 D30 I31 D72 C73 S80 Y175 P177 I178C27-K76 HydrophobicContact CB-CB 4.31Å; D30-K76 HydrophobicContact CB-CD 4.04Å; D30-K76 IonicContact OD2-NZ 3.15Å; D30-K76 PolarHBondContact OD2-NZ 2.87Å; I31-K76 HydrophobicContact CD1-CB 4.27Å; I31-K76 HydrophobicContact CG1-CB 4.3Å; D72-K76 VanDerWaalsContact CG-NZ 3.26Å; D72-K76 WeakPolarHBondContact O-CG 3.19Å; D72-K76 PolarHBondContact O-N 3.19Å; D72-K76 WeakPolarHBondContact OD1-CE 3.49Å; D72-K76 IonicContact OD1-NZ 2.76Å; D72-K76 PolarHBondContact OD1-NZ 3.22Å; D72-K76 VanDerWaalsContact OD1-NZ 3.13Å; D72-K76 WeakPolarHBondContact OD2-CE 3.12Å; D72-K76 IonicContact OD2-NZ 3.84Å; D72-K76 PolarHBondContact OD2-NZ 3.11Å; C73-K76 CarbonylContact O-C 3.28Å; C73-K76 WeakPolarHBondContact O-CB 3.46Å; C73-K76 PolarHBondContact O-N 3.47Å; C73-K76 VanDerWaalsContact O-N 3.14Å; K76-S80 VanDerWaalsContact O-CB 3.27Å; K76-S80 WeakPolarHBondContact O-CB 3.15Å; K76-S80 PolarHBondContact O-N 3.25Å; K76-S80 PolarHBondContact O-OG 2.94Å; K76-Y175 WeakPolarHBondContact CG-OH 3.27Å; K76-Y175 PolarHBondContact N-OH 3.03Å; K76-P177 HydrophobicContact CG-CB 4.07Å; K76-I178 WeakPolarHBondContact CE-O 2.89Å; K76-I178 PolarHBondContact NZ-O 2.96Å
77I97.6Very high94.9Very high0 Ų027.3 Ų27.30%014%0.141CC..Hα-helixtrans-64.5-50174.1-65.9168.7000110I31 C73 L74 Q75 Y79 S80 L81 L102 I105 I106I31-I77 HydrophobicContact CD1-CB 4.48Å; I31-I77 HydrophobicContact CD1-CG1 3.7Å; I31-I77 HydrophobicContact CG1-CG1 3.91Å; I31-I77 HydrophobicContact CG2-CG1 4.3Å; C73-I77 VanDerWaalsContact O-CG1 3.31Å; C73-I77 WeakPolarHBondContact O-CG1 3.41Å; C73-I77 PolarHBondContact O-N 3.02Å; L74-I77 WeakPolarHBondContact O-CB 3.48Å; L74-I77 PolarHBondContact O-N 2.68Å; Q75-I77 VanDerWaalsContact C-N 3.3Å; Q75-I77 PolarHBondContact O-N 3.34Å; I77-Y79 VanDerWaalsContact C-N 3.31Å; I77-Y79 PolarHBondContact O-N 3.35Å; I77-S80 WeakPolarHBondContact O-CB 3.4Å; I77-S80 PolarHBondContact O-N 3.29Å; I77-S80 VanDerWaalsContact O-N 3.11Å; I77-L81 HydrophobicContact CG2-CD1 4.02Å; I77-L81 HydrophobicContact CG2-CG 4.33Å; I77-L81 WeakPolarHBondContact O-CG 3.07Å; I77-L81 PolarHBondContact O-N 2.55Å; I77-L102 HydrophobicContact CG1-CD2 4.17Å; I77-L102 HydrophobicContact CG2-CB 3.87Å; I77-L102 HydrophobicContact CG2-CD1 4.43Å; I77-L102 HydrophobicContact CG2-CD2 4.13Å; I77-L102 HydrophobicContact CG2-CG 4.35Å; I77-I105 HydrophobicContact CD1-CB 4.2Å; I77-I105 HydrophobicContact CD1-CG2 3.62Å; I77-I106 HydrophobicContact CD1-CG1 4.19Å; I77-I106 HydrophobicContact CG2-CD1 3.52Å; I77-I106 HydrophobicContact CG2-CG1 3.8Å
78K97.8Very high94.6Very high0 Ų029 Ų290%014%0.14CC..Hα-helixtrans-56.6-46.3177.1-66.6-179.890.3-178.80111.8L74 Q75 S80 L81 N82 V129 I130 P132 L134 A160 W161L74-K78 WeakPolarHBondContact O-CG 3.43Å; L74-K78 PolarHBondContact O-N 2.91Å; Q75-K78 PolarHBondContact O-N 2.93Å; K78-S80 VanDerWaalsContact C-N 3.34Å; K78-S80 PolarHBondContact O-N 3Å; K78-L81 PolarHBondContact O-N 2.76Å; K78-N82 PolarHBondContact O-N 3.11Å; K78-N82 VanDerWaalsContact O-N 3.15Å; K78-V129 HydrophobicContact CD-CG1 4.05Å; K78-V129 PolarHBondContact NZ-O 3.11Å; K78-I130 PolarHBondContact NZ-O 3.34Å; K78-P132 HydrophobicContact CB-CG 3.85Å; K78-P132 WeakPolarHBondContact CB-O 3.29Å; K78-P132 VanDerWaalsContact CD-O 3.26Å; K78-P132 WeakPolarHBondContact CD-O 3.48Å; K78-P132 WeakPolarHBondContact CE-O 3.37Å; K78-P132 PolarHBondContact NZ-O 2.95Å; K78-P132 VanDerWaalsContact NZ-O 3.15Å; K78-L134 HydrophobicContact CB-CD2 4.12Å; K78-L134 HydrophobicContact CG-CD2 4.43Å; K78-A160 WeakPolarHBondContact CE-O 3.45Å; K78-A160 PolarHBondContact NZ-O 3Å; K78-W161 HydrophobicContact CD-CD2 4.46Å; K78-W161 HydrophobicContact CD-CE3 4.3Å; K78-W161 HydrophobicContact CD-CH2 3.78Å; K78-W161 HydrophobicContact CD-CZ2 3.94Å; K78-W161 HydrophobicContact CD-CZ3 3.96Å; K78-W161 HydrophobicContact CG-CE3 4.03Å; K78-W161 HydrophobicContact CG-CH2 3.41Å; K78-W161 VanDerWaalsContact CG-CH2 3.41Å; K78-W161 HydrophobicContact CG-CZ2 4.11Å; K78-W161 HydrophobicContact CG-CZ3 3.36Å
79Y96.7Very high94.1Very high41 Ų4133.7 Ų33.716%0.16115%0.152CC..Hα-helixtrans-60.1-43.7176.1-174.6-107.8000112.3M23 Q75 I77 N82 I83 P132 Y175 P177M23-Y79 HydrophobicContact CB-CE1 4.12Å; M23-Y79 HydrophobicContact CE-CE1 4.2Å; Q75-Y79 WeakPolarHBondContact O-CB 3.34Å; Q75-Y79 PolarHBondContact O-N 3.43Å; I77-Y79 VanDerWaalsContact C-N 3.31Å; I77-Y79 PolarHBondContact O-N 3.35Å; Y79-N82 PolarHBondContact O-N 2.99Å; Y79-I83 HydrophobicContact CD1-CD1 3.58Å; Y79-I83 HydrophobicContact CD1-CG1 4.46Å; Y79-I83 HydrophobicContact CE1-CD1 3.08Å; Y79-I83 HydrophobicContact CE1-CG1 4.15Å; Y79-I83 HydrophobicContact CE2-CD1 4.31Å; Y79-I83 HydrophobicContact CG-CD1 4.39Å; Y79-I83 VanDerWaalsContact CZ-CD1 3.48Å; Y79-I83 PolarHBondContact O-N 2.98Å; Y79-P132 HydrophobicContact CD2-CG 4.47Å; Y79-Y175 AromaticContact CD2-CD1 3.83Å; Y79-Y175 HydrophobicContact CD2-CD1 3.83Å; Y79-Y175 HydrophobicContact CD2-CE1 4.02Å; Y79-Y175 HydrophobicContact CG-CD1 4.14Å; Y79-Y175 AromaticContact CG-CE1 3.86Å; Y79-Y175 HydrophobicContact CG-CE1 3.86Å; Y79-P177 HydrophobicContact CD1-CG 3.9Å; Y79-P177 HydrophobicContact CE1-CG 3.67Å
80S95.8Very high93.4Very high0 Ų036.1 Ų36.10%016%0.161CC..Hα-helixtrans-63.2-42.8177.8-59.90000111.7C27 K76 I77 K78 N82 I83 I84C27-S80 WeakPolarHBondContact CB-OG 3.07Å; K76-S80 VanDerWaalsContact O-CB 3.27Å; K76-S80 WeakPolarHBondContact O-CB 3.15Å; K76-S80 PolarHBondContact O-N 3.25Å; K76-S80 PolarHBondContact O-OG 2.94Å; I77-S80 WeakPolarHBondContact O-CB 3.4Å; I77-S80 PolarHBondContact O-N 3.29Å; I77-S80 VanDerWaalsContact O-N 3.11Å; K78-S80 VanDerWaalsContact C-N 3.34Å; K78-S80 PolarHBondContact O-N 3Å; S80-N82 VanDerWaalsContact C-N 3.34Å; S80-N82 PolarHBondContact O-N 3.38Å; S80-I83 PolarHBondContact O-N 2.91Å; S80-I84 WeakPolarHBondContact O-CB 3.21Å; S80-I84 VanDerWaalsContact O-CD1 3.29Å; S80-I84 WeakPolarHBondContact O-CD1 3.43Å; S80-I84 WeakPolarHBondContact O-CG1 3.44Å; S80-I84 PolarHBondContact O-N 3.24Å
81L96.9Very high92.4Very high0 Ų036.8 Ų36.80%016%0.164CC..Hα-helixtrans-57.6-46.5176.3-69.2166.2000111.2I77 K78 I84 E85 F99 L102 I106 L134 T138 I142 W154I77-L81 HydrophobicContact CG2-CD1 4.02Å; I77-L81 HydrophobicContact CG2-CG 4.33Å; I77-L81 WeakPolarHBondContact O-CG 3.07Å; I77-L81 PolarHBondContact O-N 2.55Å; K78-L81 PolarHBondContact O-N 2.76Å; L81-I84 PolarHBondContact O-N 3.43Å; L81-E85 PolarHBondContact O-N 3.28Å; L81-F99 HydrophobicContact CB-CE1 4.25Å; L81-F99 HydrophobicContact CD2-CD1 3.3Å; L81-F99 HydrophobicContact CD2-CE1 3.49Å; L81-F99 VanDerWaalsContact CD2-CE1 3.49Å; L81-F99 HydrophobicContact CD2-CG 4.34Å; L81-F99 HydrophobicContact CG-CE1 4.49Å; L81-L102 HydrophobicContact CD2-CB 3.97Å; L81-L102 HydrophobicContact CD2-CD1 3.88Å; L81-L102 HydrophobicContact CG-CB 4.45Å; L81-L102 HydrophobicContact CG-CD1 4Å; L81-I106 HydrophobicContact CD1-CD1 4.11Å; L81-L134 HydrophobicContact CB-CD2 3.97Å; L81-L134 HydrophobicContact CD1-CD2 4.1Å; L81-T138 HydrophobicContact CB-CG2 3.78Å; L81-I142 HydrophobicContact CD1-CD1 4.05Å; L81-I142 HydrophobicContact CD2-CD1 4.4Å; L81-I142 HydrophobicContact CD2-CG1 4.49Å; L81-W154 HydrophobicContact CD1-CH2 4.36Å
82N96.4Very high91.4Very high20 Ų2038 Ų3811%0.10718%0.176CC..Hα-helixtrans-62.6-43.3176.3-76.6-18.6000112.3K78 Y79 S80 E85 K86 L133 L134 N135 T138K78-N82 PolarHBondContact O-N 3.11Å; K78-N82 VanDerWaalsContact O-N 3.15Å; Y79-N82 PolarHBondContact O-N 2.99Å; S80-N82 VanDerWaalsContact C-N 3.34Å; S80-N82 PolarHBondContact O-N 3.38Å; N82-E85 PolarHBondContact O-N 3.02Å; N82-K86 PolarHBondContact O-N 3.32Å; N82-K86 VanDerWaalsContact O-N 3.1Å; N82-L133 PolarHBondContact ND2-O 3.3Å; N82-L134 WeakPolarHBondContact OD1-CA 3.43Å; N82-N135 PolarHBondContact OD1-N 2.81Å; N82-T138 PolarHBondContact OD1-OG1 2.82Å
83I93.5Very high90.2Very high7 Ų743.6 Ų43.64%0.03620%0.196CC..Hα-helixtrans-62.8-48.9176.8-72.5170.7000110.8D20 M23 L24 Y79 S80 E85 K86 I87D20-I83 HydrophobicContact CB-CG2 3.86Å; M23-I83 HydrophobicContact CB-CD1 3.95Å; L24-I83 HydrophobicContact CB-CG2 3.91Å; L24-I83 HydrophobicContact CD2-CG2 4.28Å; Y79-I83 HydrophobicContact CD1-CD1 3.58Å; Y79-I83 HydrophobicContact CD1-CG1 4.46Å; Y79-I83 HydrophobicContact CE1-CD1 3.08Å; Y79-I83 HydrophobicContact CE1-CG1 4.15Å; Y79-I83 HydrophobicContact CE2-CD1 4.31Å; Y79-I83 HydrophobicContact CG-CD1 4.39Å; Y79-I83 VanDerWaalsContact CZ-CD1 3.48Å; Y79-I83 PolarHBondContact O-N 2.98Å; S80-I83 PolarHBondContact O-N 2.91Å; I83-E85 PolarHBondContact O-N 3.13Å; I83-K86 WeakPolarHBondContact O-CA 3.27Å; I83-K86 WeakPolarHBondContact O-CB 3.45Å; I83-K86 PolarHBondContact O-N 2.89Å; I83-I87 HydrophobicContact CG2-CD1 4.13Å; I83-I87 HydrophobicContact CG2-CG1 4.38Å; I83-I87 HydrophobicContact CG2-CG2 4.41Å; I83-I87 WeakPolarHBondContact O-CG1 3.31Å; I83-I87 PolarHBondContact O-N 3.28Å
84I92.7Very high89.3Confident0 Ų045 Ų450%020%0.203CC..Hα-helixtrans-56.7-44.2-178.4-65.1156.6000109.3L24 S80 L81 K86 I87 R88 I98 F99 L102L24-I84 HydrophobicContact CD1-CD1 4Å; L24-I84 HydrophobicContact CD1-CG1 3.71Å; L24-I84 HydrophobicContact CD2-CG1 3.64Å; L24-I84 HydrophobicContact CG-CG1 4.35Å; S80-I84 WeakPolarHBondContact O-CB 3.21Å; S80-I84 VanDerWaalsContact O-CD1 3.29Å; S80-I84 WeakPolarHBondContact O-CD1 3.43Å; S80-I84 WeakPolarHBondContact O-CG1 3.44Å; S80-I84 PolarHBondContact O-N 3.24Å; L81-I84 PolarHBondContact O-N 3.43Å; I84-K86 VanDerWaalsContact C-N 3.34Å; I84-K86 PolarHBondContact O-N 2.76Å; I84-I87 PolarHBondContact O-N 3.35Å; I84-R88 WeakPolarHBondContact O-CA 3.37Å; I84-R88 VanDerWaalsContact O-CB 3.28Å; I84-R88 WeakPolarHBondContact O-CB 3.5Å; I84-R88 PolarHBondContact O-N 2.72Å; I84-I98 HydrophobicContact CD1-CB 4.04Å; I84-I98 HydrophobicContact CD1-CG2 3.34Å; I84-I98 HydrophobicContact CG1-CG2 4.3Å; I84-F99 HydrophobicContact CB-CD2 4.45Å; I84-F99 HydrophobicContact CB-CE2 3.99Å; I84-F99 HydrophobicContact CB-CZ 4.31Å; I84-F99 HydrophobicContact CG2-CD2 3.6Å; I84-F99 HydrophobicContact CG2-CE2 3.38Å; I84-F99 HydrophobicContact CG2-CZ 4.18Å; I84-L102 HydrophobicContact CD1-CD1 3.56Å
85E94.6Very high88.5Confident27 Ų2745.1 Ų45.113%0.12620%0.204CC..Hα-helixtrans-60.8-42.7176.7-16761-162.500112.3L81 N82 I83 I87 R88 F99 D137 T138 S141L81-E85 PolarHBondContact O-N 3.28Å; N82-E85 PolarHBondContact O-N 3.02Å; I83-E85 PolarHBondContact O-N 3.13Å; E85-I87 VanDerWaalsContact C-N 3.32Å; E85-I87 PolarHBondContact O-N 3.02Å; E85-R88 VanDerWaalsContact CD-CD 3.46Å; E85-R88 VanDerWaalsContact O-CG 3.26Å; E85-R88 WeakPolarHBondContact O-CG 3.29Å; E85-R88 VanDerWaalsContact OE1-CD 3.26Å; E85-R88 WeakPolarHBondContact OE1-CD 3.48Å; E85-R88 IonicContact OE1-CZ 2.63Å; E85-R88 IonicContact OE1-NE 2.72Å; E85-R88 IonicContact OE1-NH1 3.87Å; E85-R88 PolarHBondContact OE1-NH1 3.26Å; E85-R88 VanDerWaalsContact OE1-NH1 3.15Å; E85-R88 WeakPolarHBondContact OE2-CD 3.46Å; E85-R88 IonicContact OE2-CZ 3.66Å; E85-R88 IonicContact OE2-NH1 2.94Å; E85-R88 PolarHBondContact OE2-NH1 3Å; E85-F99 HydrophobicContact CB-CZ 4.13Å; E85-F99 WeakPolarHBondContact OE2-CE2 3.32Å; E85-F99 WeakPolarHBondContact OE2-CZ 3.18Å; E85-D137 HydrophobicContact CG-CB 3.86Å; E85-T138 HydrophobicContact CB-CG2 4.41Å; E85-T138 VanDerWaalsContact CB-OG1 3.31Å; E85-T138 WeakPolarHBondContact CB-OG1 3.38Å; E85-S141 PolarHBondContact OE1-OG 3.45Å; E85-S141 WeakPolarHBondContact OE2-CB 3.38Å; E85-S141 PolarHBondContact OE2-OG 2.92Å; E85-S141 VanDerWaalsContact OE2-OG 3.06Å
86K91.3Very high87.8Confident135 Ų13548.8 Ų48.859%0.58722%0.219SC*.Hα-helixtrans-60.7-40.1177.2-177.2-177.8174.6-160.80112.2D20 N82 I83 I84D20-K86 IonicContact OD1-NZ 3.94Å; D20-K86 PolarHBondContact OD1-NZ 3.12Å; D20-K86 VanDerWaalsContact OD2-CD 3.23Å; D20-K86 WeakPolarHBondContact OD2-CD 3.22Å; D20-K86 WeakPolarHBondContact OD2-CE 3.48Å; D20-K86 IonicContact OD2-NZ 3.35Å; D20-K86 PolarHBondContact OD2-NZ 3.24Å; N82-K86 PolarHBondContact O-N 3.32Å; N82-K86 VanDerWaalsContact O-N 3.1Å; I83-K86 WeakPolarHBondContact O-CA 3.27Å; I83-K86 WeakPolarHBondContact O-CB 3.45Å; I83-K86 PolarHBondContact O-N 2.89Å; I84-K86 VanDerWaalsContact C-N 3.34Å; I84-K86 PolarHBondContact O-N 2.76Å
87I86.9Confident87.2Confident6 Ų651.1 Ų51.13%0.03123%0.23CC..Hα-helixtrans-98.8-4.9-174.471.2171.5000114.5Y17 D20 L21 L24 I83 I84 E85 K89 K90 I91Y17-I87 HydrophobicContact CD2-CB 4.01Å; Y17-I87 HydrophobicContact CD2-CG2 3.81Å; Y17-I87 HydrophobicContact CE2-CB 3.85Å; Y17-I87 HydrophobicContact CE2-CD1 4.46Å; Y17-I87 HydrophobicContact CE2-CG2 4.14Å; D20-I87 HydrophobicContact CB-CG2 3.65Å; L21-I87 HydrophobicContact CD1-CD1 3.66Å; L24-I87 HydrophobicContact CD2-CD1 3.81Å; I83-I87 HydrophobicContact CG2-CD1 4.13Å; I83-I87 HydrophobicContact CG2-CG1 4.38Å; I83-I87 HydrophobicContact CG2-CG2 4.41Å; I83-I87 WeakPolarHBondContact O-CG1 3.31Å; I83-I87 PolarHBondContact O-N 3.28Å; I84-I87 PolarHBondContact O-N 3.35Å; E85-I87 VanDerWaalsContact C-N 3.32Å; E85-I87 PolarHBondContact O-N 3.02Å; I87-K89 PolarHBondContact O-N 3.26Å; I87-K90 PolarHBondContact O-N 2.96Å; I87-I91 HydrophobicContact CD1-CD1 3.62Å; I87-I91 HydrophobicContact CD1-CG1 4.41Å; I87-I91 HydrophobicContact CG1-CD1 3.76Å; I87-I91 HydrophobicContact CG1-CG1 4.19Å
88R86.4Confident86.8Confident86 Ų8651.2 Ų51.233%0.32523%0.231SC..G310 helixtrans-53.7-32.7-170.970.5-176-74.4155-5.8114.5I84 E85 K90 I91 P92 S141I84-R88 WeakPolarHBondContact O-CA 3.37Å; I84-R88 VanDerWaalsContact O-CB 3.28Å; I84-R88 WeakPolarHBondContact O-CB 3.5Å; I84-R88 PolarHBondContact O-N 2.72Å; E85-R88 VanDerWaalsContact CD-CD 3.46Å; E85-R88 VanDerWaalsContact O-CG 3.26Å; E85-R88 WeakPolarHBondContact O-CG 3.29Å; E85-R88 VanDerWaalsContact OE1-CD 3.26Å; E85-R88 WeakPolarHBondContact OE1-CD 3.48Å; E85-R88 IonicContact OE1-CZ 2.63Å; E85-R88 IonicContact OE1-NE 2.72Å; E85-R88 IonicContact OE1-NH1 3.87Å; E85-R88 PolarHBondContact OE1-NH1 3.26Å; E85-R88 VanDerWaalsContact OE1-NH1 3.15Å; E85-R88 WeakPolarHBondContact OE2-CD 3.46Å; E85-R88 IonicContact OE2-CZ 3.66Å; E85-R88 IonicContact OE2-NH1 2.94Å; E85-R88 PolarHBondContact OE2-NH1 3Å; R88-K90 PolarHBondContact O-N 3.17Å; R88-I91 CarbonylContact O-C 3.4Å; R88-I91 VanDerWaalsContact O-C 3.28Å; R88-I91 PolarHBondContact O-N 2.64Å; R88-P92 WeakPolarHBondContact O-CA 3.31Å; R88-P92 VanDerWaalsContact O-N 3.13Å; R88-S141 PolarHBondContact NH1-OG 3.45Å
89K82.9Confident86.4Confident199 Ų19951.3 Ų51.387%0.86523%0.231SC*.G310 helixtrans-58.8-30.9180-70.1-178.2177.9176.60111.9I87I87-K89 PolarHBondContact O-N 3.26Å
90K77.2Confident86.1Confident99 Ų9952.2 Ų52.243%0.4324%0.238SC..G310 helixtrans-88.2-16.5179-67.5176.2169.5-166.90113.2D14 Y17 I87 R88D14-K90 IonicContact OD1-NZ 3.13Å; Y17-K90 VanDerWaalsContact CB-NZ 3.31Å; Y17-K90 HydrophobicContact CD1-CD 4.1Å; Y17-K90 HydrophobicContact CD2-CB 4.48Å; Y17-K90 HydrophobicContact CD2-CD 3.25Å; Y17-K90 HydrophobicContact CD2-CG 4.42Å; Y17-K90 HydrophobicContact CE1-CD 4.12Å; Y17-K90 HydrophobicContact CE2-CB 3.67Å; Y17-K90 HydrophobicContact CE2-CD 3.27Å; Y17-K90 HydrophobicContact CE2-CG 4.08Å; Y17-K90 HydrophobicContact CG-CD 3.67Å; Y17-K90 VanDerWaalsContact CG-NZ 3.31Å; I87-K90 PolarHBondContact O-N 2.96Å; R88-K90 PolarHBondContact O-N 3.17Å
91I74.8Confident85.9Confident14 Ų1452.7 Ų52.77%0.07224%0.24CC..  trans-142.355-173.853.4157.8000112.8I87 R88 Y93 L94 S95 F228I87-I91 HydrophobicContact CD1-CD1 3.62Å; I87-I91 HydrophobicContact CD1-CG1 4.41Å; I87-I91 HydrophobicContact CG1-CD1 3.76Å; I87-I91 HydrophobicContact CG1-CG1 4.19Å; R88-I91 CarbonylContact O-C 3.4Å; R88-I91 VanDerWaalsContact O-C 3.28Å; R88-I91 PolarHBondContact O-N 2.64Å; I91-Y93 PolarHBondContact O-N 3.13Å; I91-L94 PolarHBondContact O-N 3.34Å; I91-S95 WeakPolarHBondContact O-CB 3.25Å; I91-S95 PolarHBondContact O-N 3.42Å; I91-S95 PolarHBondContact O-OG 2.87Å; I91-F228 HydrophobicContact CB-CE1 4.09Å; I91-F228 HydrophobicContact CD1-CD1 4.25Å; I91-F228 HydrophobicContact CD1-CE1 3.2Å; I91-F228 HydrophobicContact CD1-CE2 4.47Å; I91-F228 HydrophobicContact CD1-CZ 3.33Å; I91-F228 HydrophobicContact CG1-CE1 4.21Å; I91-F228 HydrophobicContact CG2-CD1 4.1Å; I91-F228 HydrophobicContact CG2-CE1 3.86Å
92P75.3Confident85.8Confident90 Ų9052.7 Ų52.758%0.58424%0.24SC*.Hα-helixtrans-62-41.8-165.422.9-34000113.8R88 S95R88-P92 WeakPolarHBondContact O-CA 3.31Å; R88-P92 VanDerWaalsContact O-N 3.13Å; P92-S95 PolarHBondContact O-OG 3.2Å
93Y70.1Confident85.7Confident145 Ų14552.2 Ų52.257%0.56924%0.238SC*.Hα-helixtrans-67.8-50.6-178.9-177.1-90000112.3I91 S95 K96 E97I91-Y93 PolarHBondContact O-N 3.13Å; Y93-S95 VanDerWaalsContact C-N 3.32Å; Y93-S95 PolarHBondContact O-N 2.66Å; Y93-K96 PolarHBondContact O-N 2.85Å; Y93-E97 HydrophobicContact CE1-CG 4.25Å; Y93-E97 WeakPolarHBondContact CE1-OE1 3.47Å; Y93-E97 PolarHBondContact OH-OE1 3.28Å
94L75.5Confident85.7Confident32 Ų3256.5 Ų56.517%0.16826%0.256CS..Hα-helixtrans-64.7-35.6179.6-69-176.3000112.6I91 K96 E97 I98 F201 Y227 F228I91-L94 PolarHBondContact O-N 3.34Å; L94-K96 VanDerWaalsContact C-N 3.28Å; L94-K96 PolarHBondContact O-N 3Å; L94-E97 PolarHBondContact O-N 3.44Å; L94-I98 HydrophobicContact CB-CD1 4.42Å; L94-I98 VanDerWaalsContact O-CG1 3.25Å; L94-I98 WeakPolarHBondContact O-CG1 3.29Å; L94-I98 PolarHBondContact O-N 2.98Å; L94-F201 HydrophobicContact CD1-CD1 4.25Å; L94-F201 HydrophobicContact CD1-CE1 3.38Å; L94-F201 HydrophobicContact CD1-CZ 4.04Å; L94-F201 HydrophobicContact CG-CE1 4.23Å; L94-Y227 WeakPolarHBondContact CD1-O 3.41Å; L94-F228 HydrophobicContact CB-CE1 4.16Å; L94-F228 HydrophobicContact CD1-CD1 3.98Å; L94-F228 HydrophobicContact CD1-CE1 3.63Å; L94-F228 HydrophobicContact CD1-CZ 4.5Å
95S81.3Confident85.8Confident3 Ų356.7 Ų56.72%0.02126%0.257CS..Hα-helixtrans-55.2-45.217868.10000111.5I91 P92 Y93 I98 F99I91-S95 WeakPolarHBondContact O-CB 3.25Å; I91-S95 PolarHBondContact O-N 3.42Å; I91-S95 PolarHBondContact O-OG 2.87Å; P92-S95 PolarHBondContact O-OG 3.2Å; Y93-S95 VanDerWaalsContact C-N 3.32Å; Y93-S95 PolarHBondContact O-N 2.66Å; S95-I98 PolarHBondContact O-N 2.98Å; S95-F99 WeakPolarHBondContact O-CB 3.41Å; S95-F99 WeakPolarHBondContact O-CD2 3.27Å; S95-F99 PolarHBondContact O-N 3.06Å
96K84.1Confident85.9Confident120 Ų12055.4 Ų55.452%0.52225%0.251SS..Hα-helixtrans-63-46.7-179.5-176.2177.7179.2-175.60112.2Y93 L94 F99 I100 L145Y93-K96 PolarHBondContact O-N 2.85Å; L94-K96 VanDerWaalsContact C-N 3.28Å; L94-K96 PolarHBondContact O-N 3Å; K96-F99 PolarHBondContact O-N 3.11Å; K96-I100 HydrophobicContact CG-CD1 4.03Å; K96-I100 VanDerWaalsContact O-CG1 3.32Å; K96-I100 WeakPolarHBondContact O-CG1 3.46Å; K96-I100 PolarHBondContact O-N 3.3Å; K96-L145 HydrophobicContact CD-CD2 4.19Å; K96-L145 HydrophobicContact CG-CD2 3.8Å
97E83.9Confident86Confident50 Ų5049.8 Ų49.823%0.23423%0.228CC..Hα-helixtrans-63.6-43.5-180-66.8-174.9156.500111.6Y93 L94 I100 Y101 I205Y93-E97 HydrophobicContact CE1-CG 4.25Å; Y93-E97 WeakPolarHBondContact CE1-OE1 3.47Å; Y93-E97 PolarHBondContact OH-OE1 3.28Å; L94-E97 PolarHBondContact O-N 3.44Å; E97-I100 PolarHBondContact O-N 3.44Å; E97-Y101 WeakPolarHBondContact O-CB 3.42Å; E97-Y101 PolarHBondContact O-N 3.14Å; E97-I205 WeakPolarHBondContact OE1-CD1 3.26Å
98I88.2Confident86.3Confident2 Ų253 Ų531%0.0124%0.242CC..Hα-helixtrans-67.5-41.2178.3-59.1166.9000110.3L28 I84 L94 S95 I100 Y101 L102 Y227 F228L28-I98 HydrophobicContact CD1-CD1 4.25Å; L28-I98 HydrophobicContact CD1-CG2 4.19Å; L28-I98 HydrophobicContact CD2-CG2 3.87Å; I84-I98 HydrophobicContact CD1-CB 4.04Å; I84-I98 HydrophobicContact CD1-CG2 3.34Å; I84-I98 HydrophobicContact CG1-CG2 4.3Å; L94-I98 HydrophobicContact CB-CD1 4.42Å; L94-I98 VanDerWaalsContact O-CG1 3.25Å; L94-I98 WeakPolarHBondContact O-CG1 3.29Å; L94-I98 PolarHBondContact O-N 2.98Å; S95-I98 PolarHBondContact O-N 2.98Å; I98-I100 PolarHBondContact O-N 3.37Å; I98-Y101 WeakPolarHBondContact O-CB 3.19Å; I98-Y101 PolarHBondContact O-N 2.89Å; I98-L102 HydrophobicContact CG2-CD1 4.06Å; I98-L102 HydrophobicContact CG2-CG 4.16Å; I98-L102 WeakPolarHBondContact O-CB 3.48Å; I98-L102 VanDerWaalsContact O-CG 3.27Å; I98-L102 WeakPolarHBondContact O-CG 3.47Å; I98-L102 PolarHBondContact O-N 3.38Å; I98-Y227 HydrophobicContact CD1-CD1 3.99Å; I98-Y227 HydrophobicContact CD1-CG 4.4Å; I98-Y227 HydrophobicContact CG1-CD1 4.08Å; I98-Y227 HydrophobicContact CG1-CE1 4.39Å; I98-F228 HydrophobicContact CD1-CE2 3.93Å; I98-F228 HydrophobicContact CD1-CZ 3.51Å
99F90.8Very high86.7Confident1 Ų148.9 Ų48.90%0.00423%0.227CC..Hα-helixtrans-54-51.1172.4-96.7-71.5000111.6L81 I84 E85 S95 K96 Y101 L102 I103 T138 I142 L145L81-F99 HydrophobicContact CB-CE1 4.25Å; L81-F99 HydrophobicContact CD2-CD1 3.3Å; L81-F99 HydrophobicContact CD2-CE1 3.49Å; L81-F99 VanDerWaalsContact CD2-CE1 3.49Å; L81-F99 HydrophobicContact CD2-CG 4.34Å; L81-F99 HydrophobicContact CG-CE1 4.49Å; I84-F99 HydrophobicContact CB-CD2 4.45Å; I84-F99 HydrophobicContact CB-CE2 3.99Å; I84-F99 HydrophobicContact CB-CZ 4.31Å; I84-F99 HydrophobicContact CG2-CD2 3.6Å; I84-F99 HydrophobicContact CG2-CE2 3.38Å; I84-F99 HydrophobicContact CG2-CZ 4.18Å; E85-F99 HydrophobicContact CB-CZ 4.13Å; E85-F99 WeakPolarHBondContact OE2-CE2 3.32Å; E85-F99 WeakPolarHBondContact OE2-CZ 3.18Å; S95-F99 WeakPolarHBondContact O-CB 3.41Å; S95-F99 WeakPolarHBondContact O-CD2 3.27Å; S95-F99 PolarHBondContact O-N 3.06Å; K96-F99 PolarHBondContact O-N 3.11Å; F99-Y101 VanDerWaalsContact C-N 3.32Å; F99-Y101 PolarHBondContact O-N 3.32Å; F99-L102 PolarHBondContact O-N 2.77Å; F99-I103 WeakPolarHBondContact O-CB 3.22Å; F99-I103 WeakPolarHBondContact O-CD1 3.5Å; F99-I103 WeakPolarHBondContact O-CG1 3.38Å; F99-I103 PolarHBondContact O-N 2.86Å; F99-T138 HydrophobicContact CE1-CG2 4.16Å; F99-T138 HydrophobicContact CZ-CG2 4.38Å; F99-I142 HydrophobicContact CD1-CG1 4.06Å; F99-I142 HydrophobicContact CE1-CG1 3.92Å; F99-L145 HydrophobicContact CB-CD1 3.42Å; F99-L145 VanDerWaalsContact CB-CD1 3.42Å; F99-L145 HydrophobicContact CD1-CD1 4.38Å; F99-L145 HydrophobicContact CD2-CD1 4.33Å; F99-L145 HydrophobicContact CG-CD1 3.84Å
100I89.9Confident87.3Confident61 Ų6139.4 Ų39.431%0.31319%0.185SC..Hα-helixtrans-61.7-42.5-179.8-67.7166.5000110.8K96 E97 I98 K104K96-I100 HydrophobicContact CG-CD1 4.03Å; K96-I100 VanDerWaalsContact O-CG1 3.32Å; K96-I100 WeakPolarHBondContact O-CG1 3.46Å; K96-I100 PolarHBondContact O-N 3.3Å; E97-I100 PolarHBondContact O-N 3.44Å; I98-I100 PolarHBondContact O-N 3.37Å; I100-K104 HydrophobicContact CG2-CD 4.22Å; I100-K104 HydrophobicContact CG2-CG 4.5Å; I100-K104 WeakPolarHBondContact O-CB 3.32Å; I100-K104 WeakPolarHBondContact O-CG 3.38Å; I100-K104 PolarHBondContact O-N 3.3Å
101Y91.2Very high88Confident9 Ų939.4 Ų39.44%0.03519%0.19CC..Hα-helixtrans-58.3-51.4176.6170.9-116000112I31 E35 E97 I98 F99 I103 K104 I105 F221I31-Y101 HydrophobicContact CG2-CE1 4.19Å; E35-Y101 WeakPolarHBondContact OE2-CE2 3.43Å; E35-Y101 VanDerWaalsContact OE2-CZ 3.31Å; E35-Y101 PolarHBondContact OE2-OH 2.9Å; E97-Y101 WeakPolarHBondContact O-CB 3.42Å; E97-Y101 PolarHBondContact O-N 3.14Å; I98-Y101 WeakPolarHBondContact O-CB 3.19Å; I98-Y101 PolarHBondContact O-N 2.89Å; F99-Y101 VanDerWaalsContact C-N 3.32Å; F99-Y101 PolarHBondContact O-N 3.32Å; Y101-I103 PolarHBondContact O-N 3Å; Y101-K104 PolarHBondContact O-N 3.42Å; Y101-I105 HydrophobicContact CD1-CD1 4.34Å; Y101-I105 HydrophobicContact CD2-CD1 4.23Å; Y101-I105 HydrophobicContact CE1-CD1 3.75Å; Y101-I105 HydrophobicContact CE2-CD1 3.64Å; Y101-I105 HydrophobicContact CE2-CG1 4.27Å; Y101-I105 PolarHBondContact O-N 3.25Å; Y101-I105 VanDerWaalsContact O-N 3.16Å; Y101-F221 HydrophobicContact CD1-CE2 4.32Å; Y101-F221 AromaticContact CD2-CD2 3.87Å; Y101-F221 HydrophobicContact CD2-CD2 3.87Å; Y101-F221 AromaticContact CD2-CE2 3.35Å; Y101-F221 HydrophobicContact CD2-CE2 3.35Å; Y101-F221 HydrophobicContact CD2-CZ 4.31Å; Y101-F221 AromaticContact CE2-CD2 3.8Å; Y101-F221 HydrophobicContact CE2-CD2 3.8Å; Y101-F221 AromaticContact CE2-CE2 3.8Å; Y101-F221 HydrophobicContact CE2-CE2 3.8Å; Y101-F221 HydrophobicContact CG-CD2 4.37Å; Y101-F221 AromaticContact CG-CE2 3.63Å; Y101-F221 HydrophobicContact CG-CE2 3.63Å; Y101-F221 HydrophobicContact CG-CZ 4.17Å
102L95.1Very high88.8Confident0 Ų039.2 Ų39.20%019%0.188CC..Hα-helixtrans-62.2-43.8179.9-69.3-176.5000112.4L28 I31 I77 L81 I84 I98 F99 K104 I105 I106L28-L102 HydrophobicContact CD2-CD2 4.04Å; I31-L102 HydrophobicContact CD1-CD2 3.82Å; I31-L102 HydrophobicContact CG2-CD2 4.22Å; I77-L102 HydrophobicContact CG1-CD2 4.17Å; I77-L102 HydrophobicContact CG2-CB 3.87Å; I77-L102 HydrophobicContact CG2-CD1 4.43Å; I77-L102 HydrophobicContact CG2-CD2 4.13Å; I77-L102 HydrophobicContact CG2-CG 4.35Å; L81-L102 HydrophobicContact CD2-CB 3.97Å; L81-L102 HydrophobicContact CD2-CD1 3.88Å; L81-L102 HydrophobicContact CG-CB 4.45Å; L81-L102 HydrophobicContact CG-CD1 4Å; I84-L102 HydrophobicContact CD1-CD1 3.56Å; I98-L102 HydrophobicContact CG2-CD1 4.06Å; I98-L102 HydrophobicContact CG2-CG 4.16Å; I98-L102 WeakPolarHBondContact O-CB 3.48Å; I98-L102 VanDerWaalsContact O-CG 3.27Å; I98-L102 WeakPolarHBondContact O-CG 3.47Å; I98-L102 PolarHBondContact O-N 3.38Å; F99-L102 PolarHBondContact O-N 2.77Å; L102-K104 PolarHBondContact O-N 2.98Å; L102-I105 PolarHBondContact O-N 3.4Å; L102-I106 WeakPolarHBondContact O-CG1 3.28Å; L102-I106 PolarHBondContact O-N 2.88Å; L102-I106 VanDerWaalsContact O-N 3.15Å
103I94.7Very high89.6Confident11 Ų1135 Ų356%0.05616%0.161CC..Hα-helixtrans-58.1-47.4175.3-71.2165.1000110.7F99 Y101 I105 I106 C107 I142 L145 L146 W154F99-I103 WeakPolarHBondContact O-CB 3.22Å; F99-I103 WeakPolarHBondContact O-CD1 3.5Å; F99-I103 WeakPolarHBondContact O-CG1 3.38Å; F99-I103 PolarHBondContact O-N 2.86Å; Y101-I103 PolarHBondContact O-N 3Å; I103-I105 VanDerWaalsContact C-N 3.28Å; I103-I105 PolarHBondContact O-N 2.96Å; I103-I106 PolarHBondContact O-N 3.44Å; I103-C107 PolarHBondContact O-N 2.95Å; I103-C107 PolarHBondContact O-SG 3.11Å; I103-C107 VanDerWaalsContact O-SG 3.35Å; I103-I142 HydrophobicContact CD1-CB 4.49Å; I103-I142 HydrophobicContact CD1-CG1 4.36Å; I103-I142 HydrophobicContact CD1-CG2 3.97Å; I103-I142 HydrophobicContact CG1-CG2 4.34Å; I103-L145 HydrophobicContact CD1-CB 4.47Å; I103-L146 HydrophobicContact CD1-CD2 4.19Å; I103-L146 HydrophobicContact CG2-CD2 3.46Å; I103-L146 VanDerWaalsContact CG2-CD2 3.46Å; I103-W154 HydrophobicContact CB-CZ3 4.34Å; I103-W154 HydrophobicContact CG1-CH2 4.41Å; I103-W154 HydrophobicContact CG1-CZ3 3.97Å; I103-W154 HydrophobicContact CG2-CE3 4.32Å; I103-W154 HydrophobicContact CG2-CZ3 4.18Å
104K92.3Very high90.6Very high96 Ų9632.6 Ų32.642%0.41715%0.154SC..Hα-helixtrans-58.8-39.6179.6-78.4179.3174.7-172.50112I100 Y101 L102 K108I100-K104 HydrophobicContact CG2-CD 4.22Å; I100-K104 HydrophobicContact CG2-CG 4.5Å; I100-K104 WeakPolarHBondContact O-CB 3.32Å; I100-K104 WeakPolarHBondContact O-CG 3.38Å; I100-K104 PolarHBondContact O-N 3.3Å; Y101-K104 PolarHBondContact O-N 3.42Å; L102-K104 PolarHBondContact O-N 2.98Å; K104-K108 VanDerWaalsContact O-CB 3.3Å; K104-K108 WeakPolarHBondContact O-CB 3.27Å; K104-K108 PolarHBondContact O-N 3.32Å
105I94.8Very high91.3Very high5 Ų534.5 Ų34.53%0.02617%0.167CC..Hα-helixtrans-63.7-47.5176.9-66.8176.2000110.9I31 E35 I77 Y101 L102 I103 C107 K108 I109I31-I105 HydrophobicContact CG2-CD1 3.51Å; E35-I105 HydrophobicContact CB-CD1 4.17Å; E35-I105 HydrophobicContact CG-CD1 4Å; E35-I105 HydrophobicContact CG-CG1 4.16Å; I77-I105 HydrophobicContact CD1-CB 4.2Å; I77-I105 HydrophobicContact CD1-CG2 3.62Å; Y101-I105 HydrophobicContact CD1-CD1 4.34Å; Y101-I105 HydrophobicContact CD2-CD1 4.23Å; Y101-I105 HydrophobicContact CE1-CD1 3.75Å; Y101-I105 HydrophobicContact CE2-CD1 3.64Å; Y101-I105 HydrophobicContact CE2-CG1 4.27Å; Y101-I105 PolarHBondContact O-N 3.25Å; Y101-I105 VanDerWaalsContact O-N 3.16Å; L102-I105 PolarHBondContact O-N 3.4Å; I103-I105 VanDerWaalsContact C-N 3.28Å; I103-I105 PolarHBondContact O-N 2.96Å; I105-C107 PolarHBondContact O-N 3.44Å; I105-K108 WeakPolarHBondContact O-CB 3.44Å; I105-K108 PolarHBondContact O-N 3.04Å; I105-I109 HydrophobicContact CG2-CD1 3.74Å; I105-I109 HydrophobicContact CG2-CG1 4.33Å; I105-I109 WeakPolarHBondContact O-CG1 3.4Å; I105-I109 PolarHBondContact O-N 3.4Å
106I96.5Very high91.5Very high0 Ų041.4 Ų41.40%020%0.196CC..Hα-helixtrans-58-51.5178.6-63.9159.2000110.4L74 I77 L81 L102 I103 K108 I109 H110 V126 W154 L157 W161L74-I106 HydrophobicContact CD2-CG1 4.4Å; I77-I106 HydrophobicContact CD1-CG1 4.19Å; I77-I106 HydrophobicContact CG2-CD1 3.52Å; I77-I106 HydrophobicContact CG2-CG1 3.8Å; L81-I106 HydrophobicContact CD1-CD1 4.11Å; L102-I106 WeakPolarHBondContact O-CG1 3.28Å; L102-I106 PolarHBondContact O-N 2.88Å; L102-I106 VanDerWaalsContact O-N 3.15Å; I103-I106 PolarHBondContact O-N 3.44Å; I106-K108 PolarHBondContact O-N 3.38Å; I106-I109 PolarHBondContact O-N 3.02Å; I106-H110 WeakPolarHBondContact O-CB 3.41Å; I106-H110 PolarHBondContact O-N 3.49Å; I106-V126 HydrophobicContact CG2-CG1 3.98Å; I106-W154 HydrophobicContact CB-CZ3 4.33Å; I106-W154 HydrophobicContact CD1-CH2 3.56Å; I106-W154 HydrophobicContact CD1-CZ3 3.66Å; I106-W154 HydrophobicContact CG2-CZ3 4.26Å; I106-L157 HydrophobicContact CG2-CD1 3.68Å; I106-L157 HydrophobicContact CG2-CD2 4.43Å; I106-W161 HydrophobicContact CD1-CE3 4.27Å; I106-W161 HydrophobicContact CD1-CH2 3.96Å; I106-W161 HydrophobicContact CD1-CZ3 3.43Å; I106-W161 VanDerWaalsContact CD1-CZ3 3.43Å; I106-W161 HydrophobicContact CG1-CH2 4.03Å; I106-W161 HydrophobicContact CG1-CZ3 4.02Å; I106-W161 HydrophobicContact CG2-CH2 4.24Å; I106-W161 HydrophobicContact CG2-CZ3 4.26Å
107C94.5Very high91.4Very high17 Ų1741.4 Ų41.412%0.11520%0.196CC..Hα-helixtrans-58-39.2178.9-66.80000111.9I103 I105 L111 L153I103-C107 PolarHBondContact O-N 2.95Å; I103-C107 PolarHBondContact O-SG 3.11Å; I103-C107 VanDerWaalsContact O-SG 3.35Å; I105-C107 PolarHBondContact O-N 3.44Å; C107-L111 WeakPolarHBondContact O-CB 3.41Å; C107-L111 PolarHBondContact O-N 3.18Å; C107-L153 HydrophobicContact CB-CD2 3.63Å
108K93.7Very high91.3Very high73 Ų7339.6 Ų39.632%0.31719%0.188SC..Hα-helixtrans-64-48.6177.2-172.6175.2-167.7172.10111.7L38 K104 I105 I106 H110 L111 I112L38-K108 HydrophobicContact CD2-CD 4.43Å; K104-K108 VanDerWaalsContact O-CB 3.3Å; K104-K108 WeakPolarHBondContact O-CB 3.27Å; K104-K108 PolarHBondContact O-N 3.32Å; I105-K108 WeakPolarHBondContact O-CB 3.44Å; I105-K108 PolarHBondContact O-N 3.04Å; I106-K108 PolarHBondContact O-N 3.38Å; K108-H110 VanDerWaalsContact C-N 3.34Å; K108-H110 PolarHBondContact O-N 3.36Å; K108-L111 PolarHBondContact O-N 2.72Å; K108-I112 HydrophobicContact CG-CD1 3.84Å; K108-I112 WeakPolarHBondContact O-CB 3.36Å; K108-I112 VanDerWaalsContact O-CD1 3.3Å; K108-I112 WeakPolarHBondContact O-CD1 3.23Å; K108-I112 WeakPolarHBondContact O-CG1 3.39Å; K108-I112 PolarHBondContact O-N 3.13Å
109I94.4Very high90.8Very high0 Ų047 Ų470%023%0.226CC..Hα-helixtrans-61.9-44.6178.4-61.8163.9000110.2F34 L38 T70 L74 I105 I106 L111 I112 A113 V126F34-I109 HydrophobicContact CE1-CD1 3.59Å; F34-I109 HydrophobicContact CE1-CG1 4.03Å; F34-I109 HydrophobicContact CZ-CD1 3.92Å; F34-I109 HydrophobicContact CZ-CG1 4.26Å; L38-I109 HydrophobicContact CD2-CG1 4.03Å; T70-I109 HydrophobicContact CG2-CG2 3.83Å; L74-I109 HydrophobicContact CD1-CG2 4.47Å; L74-I109 HydrophobicContact CD2-CD1 3.72Å; L74-I109 HydrophobicContact CG-CD1 4.19Å; I105-I109 HydrophobicContact CG2-CD1 3.74Å; I105-I109 HydrophobicContact CG2-CG1 4.33Å; I105-I109 WeakPolarHBondContact O-CG1 3.4Å; I105-I109 PolarHBondContact O-N 3.4Å; I106-I109 PolarHBondContact O-N 3.02Å; I109-L111 PolarHBondContact O-N 3.34Å; I109-I112 PolarHBondContact O-N 3.17Å; I109-A113 WeakPolarHBondContact O-CB 3.35Å; I109-A113 PolarHBondContact O-N 2.77Å; I109-V126 HydrophobicContact CB-CG2 4.18Å; I109-V126 HydrophobicContact CG2-CG2 3.63Å
110H94.7Very high90.4Very high0 Ų053.2 Ų53.20%026%0.255CS..Hα-helixtrans-60.2-46.1179.5-172.856.1000112.2I106 K108 I112 A113 K114 V126 D156 L157I106-H110 WeakPolarHBondContact O-CB 3.41Å; I106-H110 PolarHBondContact O-N 3.49Å; K108-H110 VanDerWaalsContact C-N 3.34Å; K108-H110 PolarHBondContact O-N 3.36Å; H110-I112 PolarHBondContact O-N 2.82Å; H110-A113 PolarHBondContact O-N 3.31Å; H110-K114 WeakPolarHBondContact NE2-CE 3.49Å; H110-K114 PolarHBondContact O-N 3.37Å; H110-V126 HydrophobicContact CB-CB 4.45Å; H110-V126 HydrophobicContact CB-CG2 4.03Å; H110-D156 IonicContact CD2-OD2 3.98Å; H110-D156 IonicContact CE1-OD2 3.89Å; H110-D156 IonicContact NE2-OD2 3.35Å; H110-D156 PolarHBondContact NE2-OD2 3.33Å; H110-L157 HydrophobicContact CB-CD2 3.86Å; H110-L157 VanDerWaalsContact CG-CD2 3.42Å
111L92.9Very high90.2Very high99 Ų9951 Ų5152%0.51824%0.242SC..Hα-helixtrans-64-40.3176.9-175.863.7000112.1C107 K108 I109 K114 T115C107-L111 WeakPolarHBondContact O-CB 3.41Å; C107-L111 PolarHBondContact O-N 3.18Å; K108-L111 PolarHBondContact O-N 2.72Å; I109-L111 PolarHBondContact O-N 3.34Å; L111-K114 PolarHBondContact O-N 3.13Å; L111-T115 HydrophobicContact CD1-CG2 4.15Å; L111-T115 HydrophobicContact CG-CG2 4.47Å; L111-T115 WeakPolarHBondContact O-CB 3Å; L111-T115 WeakPolarHBondContact O-CG2 3.15Å; L111-T115 PolarHBondContact O-N 3.4Å; L111-T115 PolarHBondContact O-OG1 2.92Å
112I91.8Very high90.1Very high9 Ų954.6 Ų54.65%0.04626%0.262CS..Hα-helixtrans-61.9-43.7176.2-72.3163.2000111.1L38 L42 K108 I109 H110 T115 K116 K117 F118 Y121L38-I112 HydrophobicContact CD1-CD1 4.14Å; L38-I112 HydrophobicContact CD2-CD1 4.19Å; L38-I112 HydrophobicContact CG-CD1 4.36Å; L42-I112 HydrophobicContact CD1-CD1 3.6Å; L42-I112 HydrophobicContact CD2-CD1 3.8Å; L42-I112 HydrophobicContact CD2-CG1 4.05Å; L42-I112 HydrophobicContact CG-CD1 4.2Å; K108-I112 HydrophobicContact CG-CD1 3.84Å; K108-I112 WeakPolarHBondContact O-CB 3.36Å; K108-I112 VanDerWaalsContact O-CD1 3.3Å; K108-I112 WeakPolarHBondContact O-CD1 3.23Å; K108-I112 WeakPolarHBondContact O-CG1 3.39Å; K108-I112 PolarHBondContact O-N 3.13Å; I109-I112 PolarHBondContact O-N 3.17Å; H110-I112 PolarHBondContact O-N 2.82Å; I112-T115 PolarHBondContact O-OG1 3.07Å; I112-K116 PolarHBondContact O-N 2.9Å; I112-K117 HydrophobicContact CG2-CB 4.13Å; I112-K117 PolarHBondContact O-N 3.45Å; I112-F118 HydrophobicContact CG2-CD2 3.38Å; I112-F118 HydrophobicContact CG2-CE2 3.43Å; I112-F118 VanDerWaalsContact CG2-CE2 3.43Å; I112-F118 HydrophobicContact CG2-CG 4.2Å; I112-F118 HydrophobicContact CG2-CZ 4.28Å; I112-Y121 HydrophobicContact CG2-CD2 4.47Å
113A92.2Very high89.9Confident1 Ų156.4 Ų56.41%0.00827%0.274CS..Hα-helixtrans-65.1-45.4177.800000111.6I109 H110 T115 K116 I125I109-A113 WeakPolarHBondContact O-CB 3.35Å; I109-A113 PolarHBondContact O-N 2.77Å; H110-A113 PolarHBondContact O-N 3.31Å; A113-T115 PolarHBondContact O-N 3.47Å; A113-K116 PolarHBondContact O-N 3.02Å; A113-K116 VanDerWaalsContact O-N 3.15Å; A113-I125 HydrophobicContact CB-CG2 3.67Å
114K91Very high89.9Confident96 Ų9659.3 Ų59.342%0.41729%0.29SS..Hα-helixtrans-64.2-39.1177.5-79.5-164160.8-165.40113.6H110 L111 K116 D156H110-K114 WeakPolarHBondContact NE2-CE 3.49Å; H110-K114 PolarHBondContact O-N 3.37Å; L111-K114 PolarHBondContact O-N 3.13Å; K114-K116 PolarHBondContact O-N 3.47Å; K114-D156 WeakPolarHBondContact CE-OD2 3.38Å; K114-D156 IonicContact NZ-OD1 3.69Å; K114-D156 PolarHBondContact NZ-OD1 3.46Å; K114-D156 IonicContact NZ-OD2 3.56Å; K114-D156 PolarHBondContact NZ-OD2 3.01Å
115T89.6Confident90Very high72 Ų7255 Ų5544%0.44227%0.271SS..THydrogen-bonded Turntrans-780.4177.3530000113.3L111 I112 A113 K117L111-T115 HydrophobicContact CD1-CG2 4.15Å; L111-T115 HydrophobicContact CG-CG2 4.47Å; L111-T115 WeakPolarHBondContact O-CB 3Å; L111-T115 WeakPolarHBondContact O-CG2 3.15Å; L111-T115 PolarHBondContact O-N 3.4Å; L111-T115 PolarHBondContact O-OG1 2.92Å; I112-T115 PolarHBondContact O-OG1 3.07Å; A113-T115 PolarHBondContact O-N 3.47Å; T115-K117 PolarHBondContact O-N 3.14Å; T115-K117 VanDerWaalsContact O-N 3.12Å; T115-K117 WeakPolarHBondContact OG1-CG 3.43Å
116K85.7Confident90.1Very high148 Ų14854.7 Ų54.764%0.64327%0.27SS*.THydrogen-bonded Turntrans51.332.4-178.6-60.6-177.6179179.70113.3I112 A113 K114 F118 C123I112-K116 PolarHBondContact O-N 2.9Å; A113-K116 PolarHBondContact O-N 3.02Å; A113-K116 VanDerWaalsContact O-N 3.15Å; K114-K116 PolarHBondContact O-N 3.47Å; K116-F118 PolarHBondContact O-N 3.31Å; K116-C123 WeakPolarHBondContact CE-SG 3.38Å
117K81.4Confident90.1Very high119 Ų11956.8 Ų56.852%0.51728%0.281SS..  trans-61.5-28.9178.7-82.3-176.5178.7-1670112.5L42 I112 T115L42-K117 HydrophobicContact CD2-CD 4.33Å; I112-K117 HydrophobicContact CG2-CB 4.13Å; I112-K117 PolarHBondContact O-N 3.45Å; T115-K117 PolarHBondContact O-N 3.14Å; T115-K117 VanDerWaalsContact O-N 3.12Å; T115-K117 WeakPolarHBondContact OG1-CG 3.43Å
118F82.8Confident90.1Very high12 Ų1260.2 Ų60.25%0.05330%0.298CS..SBendtrans-114.6118.7172.6-57.2-40.3000109.6L38 S41 L42 P64 I112 K116 H120 Y121L38-F118 HydrophobicContact CD1-CE2 3.64Å; L38-F118 HydrophobicContact CD1-CZ 4.23Å; S41-F118 WeakPolarHBondContact OG-CZ 3.32Å; L42-F118 HydrophobicContact CD2-CE1 4.11Å; L42-F118 HydrophobicContact CD2-CE2 4.21Å; L42-F118 HydrophobicContact CD2-CZ 3.51Å; L42-F118 HydrophobicContact CG-CZ 3.86Å; P64-F118 HydrophobicContact CB-CB 4.46Å; P64-F118 HydrophobicContact CB-CD1 3.69Å; P64-F118 HydrophobicContact CB-CD2 3.77Å; P64-F118 HydrophobicContact CB-CE1 3.75Å; P64-F118 HydrophobicContact CB-CE2 3.81Å; P64-F118 HydrophobicContact CB-CG 3.71Å; P64-F118 HydrophobicContact CB-CZ 3.81Å; P64-F118 HydrophobicContact CG-CB 4.36Å; P64-F118 HydrophobicContact CG-CD1 3.75Å; P64-F118 HydrophobicContact CG-CE1 4.14Å; P64-F118 HydrophobicContact CG-CG 3.96Å; I112-F118 HydrophobicContact CG2-CD2 3.38Å; I112-F118 HydrophobicContact CG2-CE2 3.43Å; I112-F118 VanDerWaalsContact CG2-CE2 3.43Å; I112-F118 HydrophobicContact CG2-CG 4.2Å; I112-F118 HydrophobicContact CG2-CZ 4.28Å; K116-F118 PolarHBondContact O-N 3.31Å; F118-H120 PolarHBondContact O-N 3.07Å; F118-H120 VanDerWaalsContact O-N 3.17Å; F118-Y121 HydrophobicContact CB-CD1 4.27Å; F118-Y121 HydrophobicContact CB-CD2 4.35Å; F118-Y121 HydrophobicContact CB-CG 4.1Å; F118-Y121 AromaticContact CD2-CD2 3.91Å; F118-Y121 HydrophobicContact CD2-CD2 3.91Å; F118-Y121 HydrophobicContact CD2-CE1 4.41Å; F118-Y121 AromaticContact CD2-CE2 3.59Å; F118-Y121 HydrophobicContact CD2-CE2 3.59Å; F118-Y121 HydrophobicContact CD2-CG 4.43Å; F118-Y121 AromaticContact CD2-CZ 3.84Å; F118-Y121 HydrophobicContact CE2-CE2 4.25Å; F118-Y121 PolarHBondContact O-N 3.5Å; F118-Y121 VanDerWaalsContact O-N 3.12Å
119I77.6Confident90.2Very high159 Ų15956.9 Ų56.982%0.81528%0.284SS*.THydrogen-bonded Turntrans-58.6-31.7-176.5-62.8165.2000111.5Y121I119-Y121 VanDerWaalsContact C-N 3.34Å; I119-Y121 PolarHBondContact O-N 2.87Å
120H81Confident90.3Very high131 Ų13160 Ų6061%0.60630%0.299SS*.THydrogen-bonded Turntrans-85.3-0.7-176.6-52.6-58.7000114.4F118F118-H120 PolarHBondContact O-N 3.07Å; F118-H120 VanDerWaalsContact O-N 3.17Å
121Y86.5Confident90.3Very high13 Ų1361.8 Ų61.85%0.05131%0.308CS..SBendtrans-92.5127.1177-78.413.9000110.4P65 T70 I112 F118 I119 I125P65-Y121 WeakPolarHBondContact O-CE1 3.32Å; P65-Y121 VanDerWaalsContact O-CZ 3.26Å; P65-Y121 PolarHBondContact O-OH 3.4Å; T70-Y121 HydrophobicContact CG2-CE2 4.2Å; T70-Y121 PolarHBondContact OG1-OH 3.47Å; I112-Y121 HydrophobicContact CG2-CD2 4.47Å; F118-Y121 HydrophobicContact CB-CD1 4.27Å; F118-Y121 HydrophobicContact CB-CD2 4.35Å; F118-Y121 HydrophobicContact CB-CG 4.1Å; F118-Y121 AromaticContact CD2-CD2 3.91Å; F118-Y121 HydrophobicContact CD2-CD2 3.91Å; F118-Y121 HydrophobicContact CD2-CE1 4.41Å; F118-Y121 AromaticContact CD2-CE2 3.59Å; F118-Y121 HydrophobicContact CD2-CE2 3.59Å; F118-Y121 HydrophobicContact CD2-CG 4.43Å; F118-Y121 AromaticContact CD2-CZ 3.84Å; F118-Y121 HydrophobicContact CE2-CE2 4.25Å; F118-Y121 PolarHBondContact O-N 3.5Å; F118-Y121 VanDerWaalsContact O-N 3.12Å; I119-Y121 VanDerWaalsContact C-N 3.34Å; I119-Y121 PolarHBondContact O-N 2.87Å; Y121-I125 HydrophobicContact CD1-CD1 4.14Å; Y121-I125 HydrophobicContact CD2-CD1 4.38Å; Y121-I125 HydrophobicContact CD2-CG2 4.33Å; Y121-I125 HydrophobicContact CE1-CD1 4.4Å; Y121-I125 HydrophobicContact CG-CD1 4.16Å
122N89.6Confident90.4Very high85 Ų8558 Ų5846%0.45529%0.289SS..  trans-60.9137.6160.4-176.96.2000108.6N124 I125 D128N122-N124 PolarHBondContact O-N 2.94Å; N122-N124 VanDerWaalsContact O-N 3.11Å; N122-N124 PolarHBondContact OD1-N 2.9Å; N122-I125 WeakPolarHBondContact O-CB 3.27Å; N122-I125 WeakPolarHBondContact O-CG2 3.49Å; N122-I125 PolarHBondContact O-N 3.28Å; N122-D128 PolarHBondContact ND2-OD2 3.27Å; N122-D128 VanDerWaalsContact ND2-OD2 3.11Å
123C91.2Very high90.7Very high38 Ų3857.9 Ų57.926%0.25729%0.289SS..THydrogen-bonded Turntrans-56.1-27.6174.2-65.80000112.2K116K116-C123 WeakPolarHBondContact CE-SG 3.38Å
124N93.7Very high90.9Very high72 Ų7257.9 Ų57.939%0.38529%0.288SS..THydrogen-bonded Turntrans-96.310.4-179.7-60.9-16.3000113.7N122 V126 I127 D128N122-N124 PolarHBondContact O-N 2.94Å; N122-N124 VanDerWaalsContact O-N 3.11Å; N122-N124 PolarHBondContact OD1-N 2.9Å; N124-V126 PolarHBondContact O-N 3.41Å; N124-I127 HydrophobicContact CB-CB 4.24Å; N124-I127 HydrophobicContact CB-CD1 4.48Å; N124-I127 WeakPolarHBondContact O-CA 3.3Å; N124-I127 WeakPolarHBondContact O-CB 3.34Å; N124-I127 PolarHBondContact O-N 2.91Å; N124-D128 WeakPolarHBondContact O-CB 3.41Å; N124-D128 PolarHBondContact O-N 3.4Å
125I94.8Very high91.2Very high5 Ų556.6 Ų56.63%0.02629%0.286CS..THydrogen-bonded Turntrans-52.5-32.4-174.8-168.7170000114T70 I71 A113 Y121 N122 V129T70-I125 HydrophobicContact CG2-CD1 3.83Å; T70-I125 HydrophobicContact CG2-CG1 4.46Å; I71-I125 HydrophobicContact CG1-CG1 4.06Å; A113-I125 HydrophobicContact CB-CG2 3.67Å; Y121-I125 HydrophobicContact CD1-CD1 4.14Å; Y121-I125 HydrophobicContact CD2-CD1 4.38Å; Y121-I125 HydrophobicContact CD2-CG2 4.33Å; Y121-I125 HydrophobicContact CE1-CD1 4.4Å; Y121-I125 HydrophobicContact CG-CD1 4.16Å; N122-I125 WeakPolarHBondContact O-CB 3.27Å; N122-I125 WeakPolarHBondContact O-CG2 3.49Å; N122-I125 PolarHBondContact O-N 3.28Å; I125-V129 VanDerWaalsContact O-CG2 3.31Å; I125-V129 WeakPolarHBondContact O-CG2 3.45Å
126V96.5Very high91.5Very high0 Ų056.9 Ų56.90%028%0.283CS..THydrogen-bonded Turntrans-80-43.9175.5-173.90000111.4L74 I106 I109 H110 N124 D128 V129 L157 W161L74-V126 HydrophobicContact CD1-CB 4.38Å; L74-V126 HydrophobicContact CD1-CG1 4.49Å; L74-V126 HydrophobicContact CD1-CG2 4.05Å; L74-V126 HydrophobicContact CD2-CG1 4.14Å; L74-V126 HydrophobicContact CD2-CG2 4.39Å; I106-V126 HydrophobicContact CG2-CG1 3.98Å; I109-V126 HydrophobicContact CB-CG2 4.18Å; I109-V126 HydrophobicContact CG2-CG2 3.63Å; H110-V126 HydrophobicContact CB-CB 4.45Å; H110-V126 HydrophobicContact CB-CG2 4.03Å; N124-V126 PolarHBondContact O-N 3.41Å; V126-D128 VanDerWaalsContact C-N 3.26Å; V126-D128 PolarHBondContact O-N 2.85Å; V126-V129 PolarHBondContact O-N 3.11Å; V126-L157 HydrophobicContact CB-CD2 4.43Å; V126-L157 HydrophobicContact CG1-CD2 3.77Å; V126-W161 HydrophobicContact CG1-CZ2 3.74Å; V126-W161 PolarHBondContact O-NE1 3.32Å
127I96.2Very high92Very high44 Ų4455.2 Ų55.223%0.22628%0.281CS..THydrogen-bonded Turntrans-60.8-38.7-178.5-58.2177.9000110.7N124 V129N124-I127 HydrophobicContact CB-CB 4.24Å; N124-I127 HydrophobicContact CB-CD1 4.48Å; N124-I127 WeakPolarHBondContact O-CA 3.3Å; N124-I127 WeakPolarHBondContact O-CB 3.34Å; N124-I127 PolarHBondContact O-N 2.91Å; I127-V129 PolarHBondContact O-N 3.45Å
128D95.1Very high92.8Very high89 Ų8949.6 Ų49.648%0.47626%0.256SS..THydrogen-bonded Turntrans-72.5-6.5-176.1-61.9-20.8000113.2N122 N124 V126 I130N122-D128 PolarHBondContact ND2-OD2 3.27Å; N122-D128 VanDerWaalsContact ND2-OD2 3.11Å; N124-D128 WeakPolarHBondContact O-CB 3.41Å; N124-D128 PolarHBondContact O-N 3.4Å; V126-D128 VanDerWaalsContact C-N 3.26Å; V126-D128 PolarHBondContact O-N 2.85Å; D128-I130 PolarHBondContact O-N 2.98Å
129V96.5Very high93.5Very high3 Ų349.8 Ų49.82%0.01826%0.258CS..  trans-83.292.3179.6-173.50000111.5I71 L74 Q75 K78 I125 V126 I127 W161I71-V129 HydrophobicContact CG1-CG2 4.47Å; I71-V129 HydrophobicContact CG2-CG2 4.31Å; L74-V129 HydrophobicContact CB-CB 4.43Å; L74-V129 HydrophobicContact CB-CG1 4.16Å; L74-V129 HydrophobicContact CB-CG2 3.92Å; L74-V129 HydrophobicContact CD1-CG2 3.75Å; L74-V129 HydrophobicContact CG-CG2 4.5Å; Q75-V129 HydrophobicContact CB-CG1 4.46Å; Q75-V129 HydrophobicContact CG-CG1 3.49Å; Q75-V129 VanDerWaalsContact CG-CG1 3.49Å; K78-V129 HydrophobicContact CD-CG1 4.05Å; K78-V129 PolarHBondContact NZ-O 3.11Å; I125-V129 VanDerWaalsContact O-CG2 3.31Å; I125-V129 WeakPolarHBondContact O-CG2 3.45Å; V126-V129 PolarHBondContact O-N 3.11Å; I127-V129 PolarHBondContact O-N 3.45Å; V129-W161 HydrophobicContact CB-CZ2 4.26Å
130I95.7Very high94.3Very high64 Ų6445 Ų4533%0.32824%0.236SC..  trans-80.4-59.5-177.7-61.2168.5000111.8K78 D128 P132 L133 A160 W168 L172K78-I130 PolarHBondContact NZ-O 3.34Å; D128-I130 PolarHBondContact O-N 2.98Å; I130-P132 CarbonylContact O-C 3.58Å; I130-L133 HydrophobicContact CG2-CD2 4.41Å; I130-L133 WeakPolarHBondContact O-CD2 3.43Å; I130-L133 PolarHBondContact O-N 3.37Å; I130-A160 HydrophobicContact CG1-CB 4.32Å; I130-W168 HydrophobicContact CG2-CZ2 3.89Å; I130-L172 HydrophobicContact CG2-CD2 4.49Å
131E93.7Very high95Very high39 Ų3939.1 Ų39.118%0.18221%0.21CC..SBendtrans-93.9144.3-175.8-58.394.3150.100113.3Q75 L172 N173Q75-E131 WeakPolarHBondContact CG-O 3.21Å; Q75-E131 PolarHBondContact NE2-O 3.21Å; Q75-E131 VanDerWaalsContact NE2-O 3.11Å; E131-L172 HydrophobicContact CG-CD2 4.45Å; E131-N173 HydrophobicContact CG-CB 4.42Å; E131-N173 PolarHBondContact OE1-ND2 3.21Å
132P96.2Very high95.4Very high18 Ų1838.5 Ų38.512%0.11721%0.207CC..SBendcis-75.2144.5-10.329.7-30.1000110.9Q75 K78 Y79 I130 Y175Q75-P132 WeakPolarHBondContact O-CD 3.29Å; K78-P132 HydrophobicContact CB-CG 3.85Å; K78-P132 WeakPolarHBondContact CB-O 3.29Å; K78-P132 VanDerWaalsContact CD-O 3.26Å; K78-P132 WeakPolarHBondContact CD-O 3.48Å; K78-P132 WeakPolarHBondContact CE-O 3.37Å; K78-P132 PolarHBondContact NZ-O 2.95Å; K78-P132 VanDerWaalsContact NZ-O 3.15Å; Y79-P132 HydrophobicContact CD2-CG 4.47Å; I130-P132 CarbonylContact O-C 3.58Å; P132-Y175 HydrophobicContact CB-CD1 4.06Å; P132-Y175 HydrophobicContact CB-CG 4.13Å; P132-Y175 HydrophobicContact CG-CD1 3.58Å; P132-Y175 HydrophobicContact CG-CE1 4.06Å; P132-Y175 HydrophobicContact CG-CG 3.95Å
133L96.9Very high95.7Very high7 Ų737 Ų374%0.03720%0.196CC..PPolyproline II helixtrans-71.4152.3170-72.8179.4000111.4N82 I130 A160 W168 L172N82-L133 PolarHBondContact ND2-O 3.3Å; I130-L133 HydrophobicContact CG2-CD2 4.41Å; I130-L133 WeakPolarHBondContact O-CD2 3.43Å; I130-L133 PolarHBondContact O-N 3.37Å; L133-A160 VanDerWaalsContact CD2-O 3.23Å; L133-A160 WeakPolarHBondContact CD2-O 3.48Å; L133-W168 HydrophobicContact CD1-CB 3.42Å; L133-W168 VanDerWaalsContact CD1-CB 3.42Å; L133-W168 HydrophobicContact CD1-CD2 3.45Å; L133-W168 VanDerWaalsContact CD1-CD2 3.45Å; L133-W168 HydrophobicContact CD1-CE3 3.79Å; L133-W168 HydrophobicContact CD1-CG 3.28Å; L133-W168 HydrophobicContact CD2-CD2 4.43Å; L133-W168 HydrophobicContact CD2-CE3 4.24Å; L133-W168 HydrophobicContact CD2-CZ3 4.38Å; L133-L172 HydrophobicContact CD1-CD1 3.8Å; L133-L172 HydrophobicContact CD1-CD2 3.64Å; L133-L172 HydrophobicContact CD1-CG 4.33Å; L133-L172 HydrophobicContact CG-CD1 4.45Å; L133-L172 HydrophobicContact CG-CD2 4.1Å
134L97.3Very high95.9Very high1 Ų142.7 Ų42.71%0.00522%0.217CC..PPolyproline II helixtrans-76.8146.6176.1-61.3176.5000110.3K78 L81 N82 T138 I139 I142 W154 W161 P164 S165K78-L134 HydrophobicContact CB-CD2 4.12Å; K78-L134 HydrophobicContact CG-CD2 4.43Å; L81-L134 HydrophobicContact CB-CD2 3.97Å; L81-L134 HydrophobicContact CD1-CD2 4.1Å; N82-L134 WeakPolarHBondContact OD1-CA 3.43Å; L134-T138 HydrophobicContact CD2-CG2 4.09Å; L134-I139 HydrophobicContact CB-CD1 4.07Å; L134-I139 HydrophobicContact CB-CG1 3.61Å; L134-I139 HydrophobicContact CD1-CG1 4.22Å; L134-I142 HydrophobicContact CD1-CD1 3.74Å; L134-W154 HydrophobicContact CD1-CZ2 4.03Å; L134-W161 HydrophobicContact CD1-CE3 4.4Å; L134-P164 CarbonylContact O-C 3.59Å; L134-P164 VanDerWaalsContact O-CA 3.3Å; L134-P164 WeakPolarHBondContact O-CA 3.12Å; L134-S165 PolarHBondContact O-N 3.17Å
135N96.4Very high95.8Very high69 Ų6941.8 Ų41.837%0.36921%0.212SC..PPolyproline II helixtrans-79.8157.2174-63.8-26.4000110.8N82 D137 T138 I139 S165N82-N135 PolarHBondContact OD1-N 2.81Å; N135-D137 VanDerWaalsContact C-N 3.3Å; N135-D137 PolarHBondContact O-N 3.19Å; N135-T138 WeakPolarHBondContact O-CA 3.48Å; N135-T138 WeakPolarHBondContact O-CB 3.34Å; N135-T138 PolarHBondContact O-N 3.15Å; N135-I139 WeakPolarHBondContact O-CG1 3.47Å; N135-I139 PolarHBondContact O-N 2.79Å; N135-S165 PolarHBondContact OD1-OG 3.25Å; N135-S165 VanDerWaalsContact OD1-OG 3.09Å
136E97.1Very high95.7Very high79 Ų7942.2 Ų42.237%0.36921%0.214SC..Hα-helixtrans-53.3-45.7179.8-168.793.4-150.400112.2T138 I139 T140 P164 K167E136-T138 VanDerWaalsContact C-N 3.3Å; E136-T138 PolarHBondContact O-N 3.07Å; E136-I139 PolarHBondContact O-N 2.72Å; E136-T140 WeakPolarHBondContact O-CB 3.36Å; E136-T140 PolarHBondContact O-N 3.05Å; E136-T140 PolarHBondContact O-OG1 3.44Å; E136-P164 HydrophobicContact CB-CB 4.09Å; E136-P164 WeakPolarHBondContact OE2-CG 2.97Å; E136-K167 VanDerWaalsContact CD-NZ 3.27Å; E136-K167 IonicContact OE1-NZ 2.92Å; E136-K167 PolarHBondContact OE1-NZ 2.8Å; E136-K167 WeakPolarHBondContact OE2-CE 3.28Å; E136-K167 IonicContact OE2-NZ 2.83Å; E136-K167 PolarHBondContact OE2-NZ 3.26Å
137D96.5Very high95.4Very high113 Ų11345.5 Ų45.560%0.60424%0.237SC*.Hα-helixtrans-62.6-37.9177.5-66.1-29.4000111.9E85 N135 T140 S141E85-D137 HydrophobicContact CG-CB 3.86Å; N135-D137 VanDerWaalsContact C-N 3.3Å; N135-D137 PolarHBondContact O-N 3.19Å; D137-T140 PolarHBondContact O-N 3.42Å; D137-S141 VanDerWaalsContact O-CB 3.32Å; D137-S141 WeakPolarHBondContact O-CB 3.35Å; D137-S141 PolarHBondContact O-N 2.84Å; D137-S141 PolarHBondContact O-OG 3.44Å
138T97.1Very high95.2Very high1 Ų149.7 Ų49.71%0.00626%0.259CS..Hα-helixtrans-68.9-45.4-179.6-53.50000110.8L81 N82 E85 F99 L134 N135 E136 S141 I142L81-T138 HydrophobicContact CB-CG2 3.78Å; N82-T138 PolarHBondContact OD1-OG1 2.82Å; E85-T138 HydrophobicContact CB-CG2 4.41Å; E85-T138 VanDerWaalsContact CB-OG1 3.31Å; E85-T138 WeakPolarHBondContact CB-OG1 3.38Å; F99-T138 HydrophobicContact CE1-CG2 4.16Å; F99-T138 HydrophobicContact CZ-CG2 4.38Å; L134-T138 HydrophobicContact CD2-CG2 4.09Å; N135-T138 WeakPolarHBondContact O-CA 3.48Å; N135-T138 WeakPolarHBondContact O-CB 3.34Å; N135-T138 PolarHBondContact O-N 3.15Å; E136-T138 VanDerWaalsContact C-N 3.3Å; E136-T138 PolarHBondContact O-N 3.07Å; T138-S141 PolarHBondContact O-N 3.32Å; T138-I142 HydrophobicContact CG2-CD1 4.08Å; T138-I142 WeakPolarHBondContact O-CD1 3.48Å; T138-I142 VanDerWaalsContact O-CG1 3.27Å; T138-I142 WeakPolarHBondContact O-CG1 3.27Å; T138-I142 PolarHBondContact O-N 2.89Å
139I97.1Very high94.9Very high16 Ų1653.9 Ų53.98%0.08227%0.273CS..Hα-helixtrans-59-50.6174.2-65.1175000109.4L134 N135 E136 S141 I142 F143 P164L134-I139 HydrophobicContact CB-CD1 4.07Å; L134-I139 HydrophobicContact CB-CG1 3.61Å; L134-I139 HydrophobicContact CD1-CG1 4.22Å; N135-I139 WeakPolarHBondContact O-CG1 3.47Å; N135-I139 PolarHBondContact O-N 2.79Å; E136-I139 PolarHBondContact O-N 2.72Å; I139-S141 PolarHBondContact O-N 3.4Å; I139-I142 WeakPolarHBondContact O-CB 3.48Å; I139-I142 PolarHBondContact O-N 3.32Å; I139-I142 VanDerWaalsContact O-N 3.08Å; I139-F143 HydrophobicContact CG2-CD2 3.71Å; I139-F143 HydrophobicContact CG2-CE2 3.73Å; I139-F143 WeakPolarHBondContact O-CD2 3.34Å; I139-F143 PolarHBondContact O-N 3.02Å; I139-P164 HydrophobicContact CD1-CB 3.95Å
140T96.2Very high94.7Very high59 Ų5955.9 Ų55.936%0.36229%0.285SS..Hα-helixtrans-54.1-43.6177.8-60.70000111.8E136 D137 F143 K144E136-T140 WeakPolarHBondContact O-CB 3.36Å; E136-T140 PolarHBondContact O-N 3.05Å; E136-T140 PolarHBondContact O-OG1 3.44Å; D137-T140 PolarHBondContact O-N 3.42Å; T140-F143 PolarHBondContact O-N 3.21Å; T140-K144 HydrophobicContact CG2-CD 4.43Å; T140-K144 WeakPolarHBondContact O-CG 3.38Å; T140-K144 PolarHBondContact O-N 3.37Å
141S94.8Very high94.6Very high7 Ų756.4 Ų56.45%0.04929%0.285CS..Hα-helixtrans-68.5-37.3178.8-760000113.2E85 R88 D137 T138 I139 K144 L145E85-S141 PolarHBondContact OE1-OG 3.45Å; E85-S141 WeakPolarHBondContact OE2-CB 3.38Å; E85-S141 PolarHBondContact OE2-OG 2.92Å; E85-S141 VanDerWaalsContact OE2-OG 3.06Å; R88-S141 PolarHBondContact NH1-OG 3.45Å; D137-S141 VanDerWaalsContact O-CB 3.32Å; D137-S141 WeakPolarHBondContact O-CB 3.35Å; D137-S141 PolarHBondContact O-N 2.84Å; D137-S141 PolarHBondContact O-OG 3.44Å; T138-S141 PolarHBondContact O-N 3.32Å; I139-S141 PolarHBondContact O-N 3.4Å; S141-K144 PolarHBondContact O-N 2.86Å; S141-L145 WeakPolarHBondContact O-CG 3.36Å; S141-L145 PolarHBondContact O-N 2.87Å
142I95.5Very high94.6Very high0 Ų060.9 Ų60.90%031%0.306CS..Hα-helixtrans-61.6-51.5172.9-69.7160.6000110.1L81 F99 I103 L134 T138 I139 K144 L145 L146 W154L81-I142 HydrophobicContact CD1-CD1 4.05Å; L81-I142 HydrophobicContact CD2-CD1 4.4Å; L81-I142 HydrophobicContact CD2-CG1 4.49Å; F99-I142 HydrophobicContact CD1-CG1 4.06Å; F99-I142 HydrophobicContact CE1-CG1 3.92Å; I103-I142 HydrophobicContact CD1-CB 4.49Å; I103-I142 HydrophobicContact CD1-CG1 4.36Å; I103-I142 HydrophobicContact CD1-CG2 3.97Å; I103-I142 HydrophobicContact CG1-CG2 4.34Å; L134-I142 HydrophobicContact CD1-CD1 3.74Å; T138-I142 HydrophobicContact CG2-CD1 4.08Å; T138-I142 WeakPolarHBondContact O-CD1 3.48Å; T138-I142 VanDerWaalsContact O-CG1 3.27Å; T138-I142 WeakPolarHBondContact O-CG1 3.27Å; T138-I142 PolarHBondContact O-N 2.89Å; I139-I142 WeakPolarHBondContact O-CB 3.48Å; I139-I142 PolarHBondContact O-N 3.32Å; I139-I142 VanDerWaalsContact O-N 3.08Å; I142-K144 PolarHBondContact O-N 3.07Å; I142-K144 VanDerWaalsContact O-N 3.15Å; I142-L145 WeakPolarHBondContact O-CA 2.97Å; I142-L145 PolarHBondContact O-N 3.44Å; I142-L146 HydrophobicContact CG2-CD1 3.77Å; I142-L146 HydrophobicContact CG2-CG 4.07Å; I142-L146 WeakPolarHBondContact O-CG 3.34Å; I142-L146 PolarHBondContact O-N 3.15Å; I142-L146 VanDerWaalsContact O-N 3.13Å; I142-W154 HydrophobicContact CD1-CH2 4.07Å; I142-W154 HydrophobicContact CD1-CZ2 3.76Å; I142-W154 HydrophobicContact CG2-CD2 4.01Å; I142-W154 HydrophobicContact CG2-CE3 4.29Å; I142-W154 HydrophobicContact CG2-CH2 4.08Å; I142-W154 HydrophobicContact CG2-CZ2 3.81Å; I142-W154 HydrophobicContact CG2-CZ3 4.32Å
143F95.4Very high94.5Very high52 Ų5262.5 Ų62.523%0.22831%0.313CS..Hα-helixtrans-62.6-24.3-178.9-85.4-91.1000114I139 T140 L145 K151 W154 L155I139-F143 HydrophobicContact CG2-CD2 3.71Å; I139-F143 HydrophobicContact CG2-CE2 3.73Å; I139-F143 WeakPolarHBondContact O-CD2 3.34Å; I139-F143 PolarHBondContact O-N 3.02Å; T140-F143 PolarHBondContact O-N 3.21Å; F143-L145 VanDerWaalsContact C-N 3.33Å; F143-K151 HydrophobicContact CD1-CD 4.35Å; F143-K151 HydrophobicContact CD1-CG 4.25Å; F143-K151 WeakPolarHBondContact O-CE 3.47Å; F143-K151 PolarHBondContact O-NZ 3.25Å; F143-W154 AromaticContact CE2-CD1 3.88Å; F143-W154 AromaticContact CZ-CD1 3.86Å; F143-L155 HydrophobicContact CE1-CD2 4.01Å; F143-L155 HydrophobicContact CE1-CG 4.18Å; F143-L155 HydrophobicContact CZ-CD2 3.69Å; F143-L155 HydrophobicContact CZ-CG 4.17Å
144K94.3Very high94.5Very high159 Ų15962.2 Ų62.269%0.69131%0.312SS*.Hα-helixtrans-72-25.1171.3-74.3170.8-178.7172.60113.4T140 S141 I142T140-K144 HydrophobicContact CG2-CD 4.43Å; T140-K144 WeakPolarHBondContact O-CG 3.38Å; T140-K144 PolarHBondContact O-N 3.37Å; S141-K144 PolarHBondContact O-N 2.86Å; I142-K144 PolarHBondContact O-N 3.07Å; I142-K144 VanDerWaalsContact O-N 3.15Å
145L92Very high94.5Very high52 Ų5266.9 Ų66.927%0.27234%0.336SS..Hα-helixtrans-95.6-20.3-177-64.2174.5000113.4K96 F99 I103 S141 I142 F143K96-L145 HydrophobicContact CD-CD2 4.19Å; K96-L145 HydrophobicContact CG-CD2 3.8Å; F99-L145 HydrophobicContact CB-CD1 3.42Å; F99-L145 VanDerWaalsContact CB-CD1 3.42Å; F99-L145 HydrophobicContact CD1-CD1 4.38Å; F99-L145 HydrophobicContact CD2-CD1 4.33Å; F99-L145 HydrophobicContact CG-CD1 3.84Å; I103-L145 HydrophobicContact CD1-CB 4.47Å; S141-L145 WeakPolarHBondContact O-CG 3.36Å; S141-L145 PolarHBondContact O-N 2.87Å; I142-L145 WeakPolarHBondContact O-CA 2.97Å; I142-L145 PolarHBondContact O-N 3.44Å; F143-L145 VanDerWaalsContact C-N 3.33Å
146L92.9Very high94.4Very high15 Ų1566.7 Ų66.78%0.07934%0.335CS..  trans-76.3135.5180-64.1176000112I103 I142 K151 W154I103-L146 HydrophobicContact CD1-CD2 4.19Å; I103-L146 HydrophobicContact CG2-CD2 3.46Å; I103-L146 VanDerWaalsContact CG2-CD2 3.46Å; I142-L146 HydrophobicContact CG2-CD1 3.77Å; I142-L146 HydrophobicContact CG2-CG 4.07Å; I142-L146 WeakPolarHBondContact O-CG 3.34Å; I142-L146 PolarHBondContact O-N 3.15Å; I142-L146 VanDerWaalsContact O-N 3.13Å; L146-K151 HydrophobicContact CB-CD 4.49Å; L146-K151 HydrophobicContact CB-CG 3.48Å; L146-K151 VanDerWaalsContact CB-CG 3.48Å; L146-K151 HydrophobicContact CD1-CG 4.1Å; L146-K151 HydrophobicContact CG-CG 4.45Å; L146-K151 VanDerWaalsContact O-CE 3.27Å; L146-K151 WeakPolarHBondContact O-CE 3.43Å; L146-W154 HydrophobicContact CD1-CB 3.63Å; L146-W154 HydrophobicContact CD1-CD2 4.1Å; L146-W154 HydrophobicContact CD1-CE3 4.46Å; L146-W154 HydrophobicContact CD1-CG 3.71Å
147S90.6Very high94.3Very high69 Ų6963 Ų6348%0.48332%0.318SS..  trans-69.8165.1161.473.10000111.3K149 T150 K151S147-K149 PolarHBondContact O-N 2.98Å; S147-T150 WeakPolarHBondContact CA-OG1 3.32Å; S147-T150 PolarHBondContact N-OG1 3.4Å; S147-T150 PolarHBondContact O-N 3.08Å; S147-T150 VanDerWaalsContact O-N 3.11Å; S147-T150 PolarHBondContact O-OG1 2.88Å; S147-T150 PolarHBondContact OG-OG1 3.18Å; S147-K151 WeakPolarHBondContact O-CG 3.5Å; S147-K151 PolarHBondContact O-N 3.28Å
148I91.3Very high94.3Very high132 Ų13258.4 Ų58.468%0.67730%0.298SS*.Hα-helixtrans-52.7-53.8-178.7-61.4166000111.4T150 K151 E152I148-T150 VanDerWaalsContact C-N 3.28Å; I148-T150 PolarHBondContact O-N 3.14Å; I148-K151 WeakPolarHBondContact O-CB 3.3Å; I148-K151 PolarHBondContact O-N 2.98Å; I148-E152 PolarHBondContact O-N 3.48Å
149K89.6Confident94.2Very high176 Ų17662.2 Ų62.277%0.76532%0.322SS*.Hα-helixtrans-58.6-39.2179.1-63.7-175.4178.5-176.20112.7S147 L153S147-K149 PolarHBondContact O-N 2.98Å; K149-L153 PolarHBondContact O-N 2.94Å
150T90.9Very high94.2Very high45 Ų4561.7 Ų61.728%0.27632%0.32SS..Hα-helixtrans-76-22.9179.651.60000113.1S147 I148 W154S147-T150 WeakPolarHBondContact CA-OG1 3.32Å; S147-T150 PolarHBondContact N-OG1 3.4Å; S147-T150 PolarHBondContact O-N 3.08Å; S147-T150 VanDerWaalsContact O-N 3.11Å; S147-T150 PolarHBondContact O-OG1 2.88Å; S147-T150 PolarHBondContact OG-OG1 3.18Å; I148-T150 VanDerWaalsContact C-N 3.28Å; I148-T150 PolarHBondContact O-N 3.14Å; T150-W154 VanDerWaalsContact O-CB 3.32Å; T150-W154 WeakPolarHBondContact O-CB 3.23Å; T150-W154 PolarHBondContact O-N 3.3Å
151K94.8Very high94.2Very high76 Ų7658.9 Ų58.933%0.3330%0.303SS..Hα-helixtrans-68.1-43.8172.6-73.8178.1178.4-179.60111.3F143 L146 S147 I148 L153 W154 L155F143-K151 HydrophobicContact CD1-CD 4.35Å; F143-K151 HydrophobicContact CD1-CG 4.25Å; F143-K151 WeakPolarHBondContact O-CE 3.47Å; F143-K151 PolarHBondContact O-NZ 3.25Å; L146-K151 HydrophobicContact CB-CD 4.49Å; L146-K151 HydrophobicContact CB-CG 3.48Å; L146-K151 VanDerWaalsContact CB-CG 3.48Å; L146-K151 HydrophobicContact CD1-CG 4.1Å; L146-K151 HydrophobicContact CG-CG 4.45Å; L146-K151 VanDerWaalsContact O-CE 3.27Å; L146-K151 WeakPolarHBondContact O-CE 3.43Å; S147-K151 WeakPolarHBondContact O-CG 3.5Å; S147-K151 PolarHBondContact O-N 3.28Å; I148-K151 WeakPolarHBondContact O-CB 3.3Å; I148-K151 PolarHBondContact O-N 2.98Å; K151-L153 VanDerWaalsContact C-N 3.34Å; K151-L153 PolarHBondContact O-N 3.41Å; K151-W154 PolarHBondContact O-N 3.12Å; K151-W154 VanDerWaalsContact O-N 3.17Å; K151-L155 WeakPolarHBondContact O-CG 3.31Å; K151-L155 PolarHBondContact O-N 2.87Å
152E94.2Very high94.4Very high133 Ų13360.1 Ų60.162%0.62131%0.309SS*.Hα-helixtrans-59.2-47.5176.1-67.2172.317700110.9I148 W154 L155 D156I148-E152 PolarHBondContact O-N 3.48Å; E152-W154 VanDerWaalsContact C-N 3.28Å; E152-W154 PolarHBondContact O-N 3.07Å; E152-L155 PolarHBondContact O-N 3.35Å; E152-D156 WeakPolarHBondContact O-CB 3.46Å; E152-D156 PolarHBondContact O-N 3.22Å; E152-D156 VanDerWaalsContact O-N 3.13Å
153L94Very high94.4Very high52 Ų5262 Ų6227%0.27232%0.32SS..Hα-helixtrans-60.9-36.1175.7-172.468.2000112.8C107 K149 K151C107-L153 HydrophobicContact CB-CD2 3.63Å; K149-L153 PolarHBondContact O-N 2.94Å; K151-L153 VanDerWaalsContact C-N 3.34Å; K151-L153 PolarHBondContact O-N 3.41Å
154W96.3Very high94.5Very high1 Ų159.9 Ų59.90%0.00431%0.312CS..Hα-helixtrans-72.6-40.1178.7-171.7-83.6000112.7L81 I103 I106 L134 I142 F143 L146 T150 K151 E152 D156 L157 W161 N162L81-W154 HydrophobicContact CD1-CH2 4.36Å; I103-W154 HydrophobicContact CB-CZ3 4.34Å; I103-W154 HydrophobicContact CG1-CH2 4.41Å; I103-W154 HydrophobicContact CG1-CZ3 3.97Å; I103-W154 HydrophobicContact CG2-CE3 4.32Å; I103-W154 HydrophobicContact CG2-CZ3 4.18Å; I106-W154 HydrophobicContact CB-CZ3 4.33Å; I106-W154 HydrophobicContact CD1-CH2 3.56Å; I106-W154 HydrophobicContact CD1-CZ3 3.66Å; I106-W154 HydrophobicContact CG2-CZ3 4.26Å; L134-W154 HydrophobicContact CD1-CZ2 4.03Å; I142-W154 HydrophobicContact CD1-CH2 4.07Å; I142-W154 HydrophobicContact CD1-CZ2 3.76Å; I142-W154 HydrophobicContact CG2-CD2 4.01Å; I142-W154 HydrophobicContact CG2-CE3 4.29Å; I142-W154 HydrophobicContact CG2-CH2 4.08Å; I142-W154 HydrophobicContact CG2-CZ2 3.81Å; I142-W154 HydrophobicContact CG2-CZ3 4.32Å; F143-W154 AromaticContact CE2-CD1 3.88Å; F143-W154 AromaticContact CZ-CD1 3.86Å; L146-W154 HydrophobicContact CD1-CB 3.63Å; L146-W154 HydrophobicContact CD1-CD2 4.1Å; L146-W154 HydrophobicContact CD1-CE3 4.46Å; L146-W154 HydrophobicContact CD1-CG 3.71Å; T150-W154 VanDerWaalsContact O-CB 3.32Å; T150-W154 WeakPolarHBondContact O-CB 3.23Å; T150-W154 PolarHBondContact O-N 3.3Å; K151-W154 PolarHBondContact O-N 3.12Å; K151-W154 VanDerWaalsContact O-N 3.17Å; E152-W154 VanDerWaalsContact C-N 3.28Å; E152-W154 PolarHBondContact O-N 3.07Å; W154-D156 VanDerWaalsContact C-N 3.25Å; W154-D156 PolarHBondContact O-N 3.17Å; W154-L157 HydrophobicContact CD2-CD1 3.89Å; W154-L157 HydrophobicContact CE3-CD1 3.9Å; W154-L157 HydrophobicContact CG-CD1 4.3Å; W154-L157 HydrophobicContact CZ3-CD1 4.28Å; W154-L157 WeakPolarHBondContact O-CB 2.91Å; W154-L157 VanDerWaalsContact O-CG 3.28Å; W154-L157 WeakPolarHBondContact O-CG 3.03Å; W154-L157 PolarHBondContact O-N 3.29Å; W154-L157 VanDerWaalsContact O-N 3.11Å; W154-W161 HydrophobicContact CH2-CE3 4.06Å; W154-W161 HydrophobicContact CH2-CZ3 4.36Å; W154-W161 AromaticContact CZ2-CE3 3.99Å; W154-W161 HydrophobicContact CZ2-CE3 3.99Å; W154-N162 PolarHBondContact NE1-OD1 3.35Å; W154-N162 PolarHBondContact O-ND2 2.98Å; W154-N162 VanDerWaalsContact O-ND2 3.14Å
155L96.3Very high94.4Very high98 Ų9854.2 Ų54.251%0.51329%0.293SS..Hα-helixtrans-62.8-36.1176.1-74.3169.3000111.7F143 K151 E152 L157 G158 N162F143-L155 HydrophobicContact CE1-CD2 4.01Å; F143-L155 HydrophobicContact CE1-CG 4.18Å; F143-L155 HydrophobicContact CZ-CD2 3.69Å; F143-L155 HydrophobicContact CZ-CG 4.17Å; K151-L155 WeakPolarHBondContact O-CG 3.31Å; K151-L155 PolarHBondContact O-N 2.87Å; E152-L155 PolarHBondContact O-N 3.35Å; L155-L157 PolarHBondContact O-N 3.3Å; L155-G158 PolarHBondContact O-N 2.98Å; L155-N162 PolarHBondContact O-ND2 2.94Å
156D94.8Very high94.5Very high65 Ų6556.1 Ų56.135%0.34831%0.31SS..THydrogen-bonded Turntrans-66.8-8.9175.6172.271.7000114.1H110 K114 E152 W154 G158H110-D156 IonicContact CD2-OD2 3.98Å; H110-D156 IonicContact CE1-OD2 3.89Å; H110-D156 IonicContact NE2-OD2 3.35Å; H110-D156 PolarHBondContact NE2-OD2 3.33Å; K114-D156 WeakPolarHBondContact CE-OD2 3.38Å; K114-D156 IonicContact NZ-OD1 3.69Å; K114-D156 PolarHBondContact NZ-OD1 3.46Å; K114-D156 IonicContact NZ-OD2 3.56Å; K114-D156 PolarHBondContact NZ-OD2 3.01Å; E152-D156 WeakPolarHBondContact O-CB 3.46Å; E152-D156 PolarHBondContact O-N 3.22Å; E152-D156 VanDerWaalsContact O-N 3.13Å; W154-D156 VanDerWaalsContact C-N 3.25Å; W154-D156 PolarHBondContact O-N 3.17Å; D156-G158 PolarHBondContact O-N 3.32Å
157L96.3Very high94.6Very high1 Ų161.5 Ų61.51%0.00533%0.333CS..THydrogen-bonded Turntrans-71.4-12.3168.3-56.1178.5000113.3I106 H110 V126 W154 L155 W161I106-L157 HydrophobicContact CG2-CD1 3.68Å; I106-L157 HydrophobicContact CG2-CD2 4.43Å; H110-L157 HydrophobicContact CB-CD2 3.86Å; H110-L157 VanDerWaalsContact CG-CD2 3.42Å; V126-L157 HydrophobicContact CB-CD2 4.43Å; V126-L157 HydrophobicContact CG1-CD2 3.77Å; W154-L157 HydrophobicContact CD2-CD1 3.89Å; W154-L157 HydrophobicContact CE3-CD1 3.9Å; W154-L157 HydrophobicContact CG-CD1 4.3Å; W154-L157 HydrophobicContact CZ3-CD1 4.28Å; W154-L157 WeakPolarHBondContact O-CB 2.91Å; W154-L157 VanDerWaalsContact O-CG 3.28Å; W154-L157 WeakPolarHBondContact O-CG 3.03Å; W154-L157 PolarHBondContact O-N 3.29Å; W154-L157 VanDerWaalsContact O-N 3.11Å; L155-L157 PolarHBondContact O-N 3.3Å; L157-W161 HydrophobicContact CB-CB 3.81Å; L157-W161 HydrophobicContact CB-CG 3.74Å; L157-W161 HydrophobicContact CD1-CB 4.19Å; L157-W161 HydrophobicContact CD1-CD2 4.09Å; L157-W161 HydrophobicContact CD1-CE3 4.37Å; L157-W161 HydrophobicContact CD1-CG 4Å
158G95.6Very high94.8Very high18 Ų1860.6 Ų60.619%0.18632%0.319CS..  trans81.7-174.3174.300000115.4L155 D156 A160 W161 N162L155-G158 PolarHBondContact O-N 2.98Å; D156-G158 PolarHBondContact O-N 3.32Å; G158-A160 VanDerWaalsContact C-N 3.31Å; G158-A160 PolarHBondContact O-N 2.63Å; G158-W161 PolarHBondContact O-N 3.43Å; G158-N162 PolarHBondContact O-N 2.9Å; G158-N162 PolarHBondContact O-ND2 3.27Å
159P95.9Very high94.9Very high80 Ų8059.4 Ų59.452%0.51932%0.32SS..Hα-helixtrans-59.4-34.7-170.1-27.636.2000114.5W161 N162 T163 W168P159-W161 PolarHBondContact O-N 3.4Å; P159-N162 PolarHBondContact O-N 2.95Å; P159-N162 VanDerWaalsContact O-N 3.15Å; P159-T163 VanDerWaalsContact O-CB 3.26Å; P159-T163 WeakPolarHBondContact O-CB 3.32Å; P159-T163 PolarHBondContact O-N 3.15Å; P159-T163 PolarHBondContact O-OG1 2.94Å; P159-W168 HydrophobicContact CB-CH2 4.14Å; P159-W168 HydrophobicContact CB-CZ3 3.79Å
160A96.3Very high95Very high5 Ų555.9 Ų55.94%0.04131%0.309CS..Hα-helixtrans-60-20-17900000114.1K78 I130 L133 G158 W168K78-A160 WeakPolarHBondContact CE-O 3.45Å; K78-A160 PolarHBondContact NZ-O 3Å; I130-A160 HydrophobicContact CG1-CB 4.32Å; L133-A160 VanDerWaalsContact CD2-O 3.23Å; L133-A160 WeakPolarHBondContact CD2-O 3.48Å; G158-A160 VanDerWaalsContact C-N 3.31Å; G158-A160 PolarHBondContact O-N 2.63Å; A160-W168 HydrophobicContact CB-CH2 4.47Å
161W97.4Very high95Very high0 Ų059.8 Ų59.80%034%0.335CS..Hα-helixtrans-111-13.5179.8-66.186.8000113.7L74 K78 I106 V126 V129 L134 W154 L157 G158 P159L74-W161 HydrophobicContact CB-CH2 4.49Å; L74-W161 HydrophobicContact CB-CZ2 4.45Å; L74-W161 HydrophobicContact CD2-CH2 4.16Å; L74-W161 HydrophobicContact CD2-CZ2 4.22Å; K78-W161 HydrophobicContact CD-CD2 4.46Å; K78-W161 HydrophobicContact CD-CE3 4.3Å; K78-W161 HydrophobicContact CD-CH2 3.78Å; K78-W161 HydrophobicContact CD-CZ2 3.94Å; K78-W161 HydrophobicContact CD-CZ3 3.96Å; K78-W161 HydrophobicContact CG-CE3 4.03Å; K78-W161 HydrophobicContact CG-CH2 3.41Å; K78-W161 VanDerWaalsContact CG-CH2 3.41Å; K78-W161 HydrophobicContact CG-CZ2 4.11Å; K78-W161 HydrophobicContact CG-CZ3 3.36Å; I106-W161 HydrophobicContact CD1-CE3 4.27Å; I106-W161 HydrophobicContact CD1-CH2 3.96Å; I106-W161 HydrophobicContact CD1-CZ3 3.43Å; I106-W161 VanDerWaalsContact CD1-CZ3 3.43Å; I106-W161 HydrophobicContact CG1-CH2 4.03Å; I106-W161 HydrophobicContact CG1-CZ3 4.02Å; I106-W161 HydrophobicContact CG2-CH2 4.24Å; I106-W161 HydrophobicContact CG2-CZ3 4.26Å; V126-W161 HydrophobicContact CG1-CZ2 3.74Å; V126-W161 PolarHBondContact O-NE1 3.32Å; V129-W161 HydrophobicContact CB-CZ2 4.26Å; L134-W161 HydrophobicContact CD1-CE3 4.4Å; W154-W161 HydrophobicContact CH2-CE3 4.06Å; W154-W161 HydrophobicContact CH2-CZ3 4.36Å; W154-W161 AromaticContact CZ2-CE3 3.99Å; W154-W161 HydrophobicContact CZ2-CE3 3.99Å; L157-W161 HydrophobicContact CB-CB 3.81Å; L157-W161 HydrophobicContact CB-CG 3.74Å; L157-W161 HydrophobicContact CD1-CB 4.19Å; L157-W161 HydrophobicContact CD1-CD2 4.09Å; L157-W161 HydrophobicContact CD1-CE3 4.37Å; L157-W161 HydrophobicContact CD1-CG 4Å; G158-W161 PolarHBondContact O-N 3.43Å; P159-W161 PolarHBondContact O-N 3.4Å
162N97.1Very high94.6Very high34 Ų3459.5 Ų59.518%0.18234%0.337CS..Hα-helixtrans-119.4-16.7-171.2-66.6-63.3000113.3W154 L155 G158 P159W154-N162 PolarHBondContact NE1-OD1 3.35Å; W154-N162 PolarHBondContact O-ND2 2.98Å; W154-N162 VanDerWaalsContact O-ND2 3.14Å; L155-N162 PolarHBondContact O-ND2 2.94Å; G158-N162 PolarHBondContact O-N 2.9Å; G158-N162 PolarHBondContact O-ND2 3.27Å; P159-N162 PolarHBondContact O-N 2.95Å; P159-N162 VanDerWaalsContact O-N 3.15Å
163T96.4Very high94.3Very high38 Ų3859 Ų5923%0.23334%0.338CS..SBendtrans-95.9123.5174.7-54.90000109.2P159 K167 W168P159-T163 VanDerWaalsContact O-CB 3.26Å; P159-T163 WeakPolarHBondContact O-CB 3.32Å; P159-T163 PolarHBondContact O-N 3.15Å; P159-T163 PolarHBondContact O-OG1 2.94Å; T163-K167 HydrophobicContact CG2-CB 4.12Å; T163-W168 HydrophobicContact CG2-CE3 3.84Å; T163-W168 HydrophobicContact CG2-CZ3 4.41Å
164P96.4Very high93.9Very high9 Ų963.3 Ų63.36%0.05836%0.361CS..  trans-66.5151.3178.527.7-33.6000110.8L134 E136 I139 S166 K167 W168L134-P164 CarbonylContact O-C 3.59Å; L134-P164 VanDerWaalsContact O-CA 3.3Å; L134-P164 WeakPolarHBondContact O-CA 3.12Å; E136-P164 HydrophobicContact CB-CB 4.09Å; E136-P164 WeakPolarHBondContact OE2-CG 2.97Å; I139-P164 HydrophobicContact CD1-CB 3.95Å; P164-S166 PolarHBondContact O-N 3.23Å; P164-S166 VanDerWaalsContact O-N 3.09Å; P164-K167 HydrophobicContact CG-CB 3.94Å; P164-K167 HydrophobicContact CG-CD 3.65Å; P164-K167 HydrophobicContact CG-CG 3.84Å; P164-K167 PolarHBondContact O-N 3.01Å; P164-W168 PolarHBondContact O-N 3.15Å
165S94Very high93.7Very high40 Ų4065.1 Ų65.128%0.2837%0.368SS..G310 helixtrans-50.5-35.3178.355.50000113.7L134 N135 K167L134-S165 PolarHBondContact O-N 3.17Å; N135-S165 PolarHBondContact OD1-OG 3.25Å; N135-S165 VanDerWaalsContact OD1-OG 3.09Å; S165-K167 VanDerWaalsContact C-N 3.32Å; S165-K167 PolarHBondContact O-N 2.69Å
166S93.7Very high93.4Very high91 Ų9165.4 Ų65.464%0.63637%0.368SS*.G310 helixtrans-70.3-19.8178.855.50000115.1P164P164-S166 PolarHBondContact O-N 3.23Å; P164-S166 VanDerWaalsContact O-N 3.09Å
167K94.8Very high93.2Very high129 Ų12962.7 Ų62.756%0.56135%0.354SS*.G310 helixtrans-111.811.4-177.9-61.3177.5-175.6143.20112.3E136 T163 P164 S165E136-K167 VanDerWaalsContact CD-NZ 3.27Å; E136-K167 IonicContact OE1-NZ 2.92Å; E136-K167 PolarHBondContact OE1-NZ 2.8Å; E136-K167 WeakPolarHBondContact OE2-CE 3.28Å; E136-K167 IonicContact OE2-NZ 2.83Å; E136-K167 PolarHBondContact OE2-NZ 3.26Å; T163-K167 HydrophobicContact CG2-CB 4.12Å; P164-K167 HydrophobicContact CG-CB 3.94Å; P164-K167 HydrophobicContact CG-CD 3.65Å; P164-K167 HydrophobicContact CG-CG 3.84Å; P164-K167 PolarHBondContact O-N 3.01Å; S165-K167 VanDerWaalsContact C-N 3.32Å; S165-K167 PolarHBondContact O-N 2.69Å
168W94.6Very high92.8Very high49 Ų4968.4 Ų68.419%0.18638%0.383CS..  trans-78.7131.5-179.9-165.2-111.2000111I130 L133 P159 A160 T163 P164 N170 L172I130-W168 HydrophobicContact CG2-CZ2 3.89Å; L133-W168 HydrophobicContact CD1-CB 3.42Å; L133-W168 VanDerWaalsContact CD1-CB 3.42Å; L133-W168 HydrophobicContact CD1-CD2 3.45Å; L133-W168 VanDerWaalsContact CD1-CD2 3.45Å; L133-W168 HydrophobicContact CD1-CE3 3.79Å; L133-W168 HydrophobicContact CD1-CG 3.28Å; L133-W168 HydrophobicContact CD2-CD2 4.43Å; L133-W168 HydrophobicContact CD2-CE3 4.24Å; L133-W168 HydrophobicContact CD2-CZ3 4.38Å; P159-W168 HydrophobicContact CB-CH2 4.14Å; P159-W168 HydrophobicContact CB-CZ3 3.79Å; A160-W168 HydrophobicContact CB-CH2 4.47Å; T163-W168 HydrophobicContact CG2-CE3 3.84Å; T163-W168 HydrophobicContact CG2-CZ3 4.41Å; P164-W168 PolarHBondContact O-N 3.15Å; W168-N170 VanDerWaalsContact CD1-O 3.25Å; W168-N170 PolarHBondContact O-N 3.49Å; W168-L172 HydrophobicContact CG-CD2 4.14Å
169P93Very high92.4Very high108 Ų10869.9 Ų69.970%0.70138%0.384SS*.SBendtrans-74.9-23.6-173.128-35.1000114.1
170N92.1Very high91.4Very high102 Ų10271.8 Ų71.855%0.54539%0.386SS..SBendtrans-104.1153.9-170.8-62.71.8000111.2W168 L172W168-N170 VanDerWaalsContact CD1-O 3.25Å; W168-N170 PolarHBondContact O-N 3.49Å; N170-L172 PolarHBondContact O-N 2.67Å
171P90.3Very high90Very high126 Ų12674.4 Ų74.482%0.81840%0.397SS*.  trans-59.9140.5171.226-34000110.7
172L87.4Confident88.1Confident71 Ų7179.8 Ų79.837%0.37243%0.433SS..  trans-105.8139.3-177.8-66.2172.6000111.3I130 E131 L133 W168 N170I130-L172 HydrophobicContact CG2-CD2 4.49Å; E131-L172 HydrophobicContact CG-CD2 4.45Å; L133-L172 HydrophobicContact CD1-CD1 3.8Å; L133-L172 HydrophobicContact CD1-CD2 3.64Å; L133-L172 HydrophobicContact CD1-CG 4.33Å; L133-L172 HydrophobicContact CG-CD1 4.45Å; L133-L172 HydrophobicContact CG-CD2 4.1Å; W168-L172 HydrophobicContact CG-CD2 4.14Å; N170-L172 PolarHBondContact O-N 2.67Å
173N87.9Confident86.2Confident121 Ų12182 Ų8265%0.64744%0.444SS*.  trans-76.1143.2169.1-63.5-58.9000110.8E131 Y175E131-N173 HydrophobicContact CG-CB 4.42Å; E131-N173 PolarHBondContact OE1-ND2 3.21Å; N173-Y175 PolarHBondContact O-N 2.97Å; N173-Y175 VanDerWaalsContact O-N 3.15Å
174I86.1Confident84.1Confident144 Ų14487.6 Ų87.674%0.73847%0.465SS*.  trans-68.7114.1171.6-60.5175.3000108
175Y91.1Very high81.5Confident38 Ų3896.9 Ų96.915%0.14950%0.504CS..  trans-86.2127.9175.3177.9-97000111.4Q75 K76 Y79 P132 N173 P177Q75-Y175 HydrophobicContact CB-CD2 4.36Å; Q75-Y175 HydrophobicContact CB-CE2 3.46Å; Q75-Y175 VanDerWaalsContact CB-CE2 3.46Å; Q75-Y175 WeakPolarHBondContact CB-OH 3.23Å; Q75-Y175 HydrophobicContact CG-CE2 4.15Å; K76-Y175 WeakPolarHBondContact CG-OH 3.27Å; K76-Y175 PolarHBondContact N-OH 3.03Å; Y79-Y175 AromaticContact CD2-CD1 3.83Å; Y79-Y175 HydrophobicContact CD2-CD1 3.83Å; Y79-Y175 HydrophobicContact CD2-CE1 4.02Å; Y79-Y175 HydrophobicContact CG-CD1 4.14Å; Y79-Y175 AromaticContact CG-CE1 3.86Å; Y79-Y175 HydrophobicContact CG-CE1 3.86Å; P132-Y175 HydrophobicContact CB-CD1 4.06Å; P132-Y175 HydrophobicContact CB-CG 4.13Å; P132-Y175 HydrophobicContact CG-CD1 3.58Å; P132-Y175 HydrophobicContact CG-CE1 4.06Å; P132-Y175 HydrophobicContact CG-CG 3.95Å; N173-Y175 PolarHBondContact O-N 2.97Å; N173-Y175 VanDerWaalsContact O-N 3.15Å; Y175-P177 HydrophobicContact CE1-CB 4.01Å; Y175-P177 HydrophobicContact CE1-CG 4.39Å
176M89.5Confident78.9Confident104 Ų104101.7 Ų101.751%0.51252%0.516SS..  trans-130121.2169.5-176.966.869.600108.6M23 I178M23-M176 HydrophobicContact CE-SD 4.11Å; M176-I178 PolarHBondContact O-N 3.4Å
177P90.7Very high76.1Confident9 Ų9101.5 Ų101.56%0.05852%0.515CS..PPolyproline II helixtrans-67134.9-177.527.9-35.8000111.7M23 K76 Y79 Y175 F179M23-P177 HydrophobicContact CE-CG 3.43Å; M23-P177 VanDerWaalsContact CE-CG 3.43Å; K76-P177 HydrophobicContact CG-CB 4.07Å; Y79-P177 HydrophobicContact CD1-CG 3.9Å; Y79-P177 HydrophobicContact CE1-CG 3.67Å; Y175-P177 HydrophobicContact CE1-CB 4.01Å; Y175-P177 HydrophobicContact CE1-CG 4.39Å; P177-F179 HydrophobicContact CB-CE1 4Å; P177-F179 HydrophobicContact CB-CZ 3.88Å; P177-F179 HydrophobicContact CG-CE1 4.22Å; P177-F179 HydrophobicContact CG-CE2 4.15Å; P177-F179 HydrophobicContact CG-CZ 3.61Å
178I89.4Confident73.4Confident121 Ų121106.3 Ų106.362%0.62153%0.53SS*.PPolyproline II helixtrans-97.5121.7173.1-60.2173.1000108K76 M176K76-I178 WeakPolarHBondContact CE-O 2.89Å; K76-I178 PolarHBondContact NZ-O 2.96Å; M176-I178 PolarHBondContact O-N 3.4Å
179F86.3Confident70.7Confident48 Ų48112.8 Ų112.821%0.21156%0.562CS.*PPolyproline II helixtrans-98128.1-176.8-57.1-67.6000112M23 R26 C27 D30 P177M23-F179 HydrophobicContact CE-CE2 3.61Å; M23-F179 HydrophobicContact CE-CZ 3.72Å; M23-F179 HydrophobicContact SD-CE2 3.97Å; M23-F179 HydrophobicContact SD-CZ 4.31Å; R26-F179 VanDerWaalsContact C-CE1 3.45Å; R26-F179 HydrophobicContact CB-CD1 3.81Å; R26-F179 HydrophobicContact CB-CD2 4.13Å; R26-F179 HydrophobicContact CB-CE1 3.45Å; R26-F179 VanDerWaalsContact CB-CE1 3.45Å; R26-F179 HydrophobicContact CB-CE2 3.77Å; R26-F179 HydrophobicContact CB-CG 4.14Å; R26-F179 HydrophobicContact CB-CZ 3.41Å; R26-F179 VanDerWaalsContact CB-CZ 3.41Å; R26-F179 HydrophobicContact CG-CE2 4.4Å; R26-F179 HydrophobicContact CG-CZ 4.46Å; C27-F179 HydrophobicContact CB-CE1 4.43Å; D30-F179 WeakPolarHBondContact OD2-CA 3.26Å; P177-F179 HydrophobicContact CB-CE1 4Å; P177-F179 HydrophobicContact CB-CZ 3.88Å; P177-F179 HydrophobicContact CG-CE1 4.22Å; P177-F179 HydrophobicContact CG-CE2 4.15Å; P177-F179 HydrophobicContact CG-CZ 3.61Å
180H74.8Confident68.2Low121 Ų121115.1 Ų115.156%0.5656%0.557SS**  trans-92.2-23.6-173.6-59.799.7000113.3D30 D72D30-H180 PolarHBondContact OD2-N 3.03Å; D72-H180 IonicContact OD1-CE1 2.76Å; D72-H180 IonicContact OD2-CE1 2.55Å; D72-H180 PolarHBondContact OD2-CE1 3.1Å; D72-H180 IonicContact OD2-ND1 3.31Å
181H67.1Low65.7Low59 Ų59113.6 Ų113.627%0.27355%0.554SS.*SBendtrans-91.9131.3-179.9-64.8-53.2000112R26 D30 W33R26-H181 PolarHBondContact NH2-O 3.3Å; D30-H181 IonicContact OD1-CD2 3.52Å; D30-H181 PolarHBondContact OD1-CD2 3.46Å; D30-H181 VanDerWaalsContact OD1-CD2 3.31Å; D30-H181 IonicContact OD1-CG 2.94Å; W33-H181 AromaticContact CD1-CE1 3.6Å; W33-H181 AromaticContact CD1-NE2 3.42Å; W33-H181 AromaticContact CD2-CE1 3.79Å; W33-H181 AromaticContact CD2-NE2 3.24Å; W33-H181 AromaticContact CE2-CE1 3.76Å; W33-H181 AromaticContact CE2-NE2 3.71Å; W33-H181 AromaticContact CE3-NE2 3.78Å; W33-H181 AromaticContact CG-CE1 3.72Å; W33-H181 AromaticContact CG-NE2 3.08Å; W33-H181 AromaticContact NE1-CE1 3.61Å; W33-H181 AromaticContact NE1-NE2 3.77Å
182P57.7Low63.1Low114 Ų114113.8 Ų113.874%0.7455%0.548SS*.PPolyproline II helixtrans-62148.3172.826.7-33.1000110K184P182-K184 PolarHBondContact O-N 3.22Å; P182-K184 VanDerWaalsContact O-N 3.07Å
183L55.9Low60.8Low80 Ų80117 Ų11742%0.41956%0.561SS.*PPolyproline II helixtrans-55.1120.3170.5-68.2174000108.4Y22 K185Y22-L183 HydrophobicContact CE2-CD2 4.39Å; L183-K185 PolarHBondContact O-N 2.98Å
184K53.5Low58.6Low155 Ų155113.1 Ų113.167%0.67454%0.542SS*.  trans-59.2107.8168.5-71.3-177.5-179174.70106.8P182 R186 L225P182-K184 PolarHBondContact O-N 3.22Å; P182-K184 VanDerWaalsContact O-N 3.07Å; K184-R186 PolarHBondContact O-N 2.95Å; K184-R186 VanDerWaalsContact O-N 3.1Å; K184-L225 HydrophobicContact CB-CD1 4.26Å
185K41.8Very low56.4Low204 Ų204112.4 Ų112.489%0.88754%0.538SS*.PPolyproline II helixtrans-53.6121.3177.4-72.8-175.5179.6177.70107.4L183 S187L183-K185 PolarHBondContact O-N 2.98Å; K185-S187 PolarHBondContact O-N 2.82Å; K185-S187 VanDerWaalsContact O-N 3.1Å
186R39.7Very low53.8Low141 Ų141118 Ų11853%0.53257%0.57SS.*PPolyproline II helixtrans-56.2119.9172.7-75.9-178.1176.3170.6-1.3107K184 R188 V230 D232K184-R186 PolarHBondContact O-N 2.95Å; K184-R186 VanDerWaalsContact O-N 3.1Å; R186-R188 PolarHBondContact O-N 2.75Å; R186-R188 VanDerWaalsContact O-N 3.09Å; R186-V230 PolarHBondContact NH2-O 3.04Å; R186-D232 IonicContact NH1-OD1 2.75Å
187S33.9Very low51Low88 Ų88120.1 Ų120.162%0.61557%0.573SS**PPolyproline II helixtrans-58.8116.8161172.30000106.5K185 H189K185-S187 PolarHBondContact O-N 2.82Å; K185-S187 VanDerWaalsContact O-N 3.1Å; S187-H189 PolarHBondContact O-N 2.75Å
188R38.4Very low48.3Very low229 Ų229126.7 Ų126.786%0.86461%0.607SS**G310 helixtrans-62.5-8.9-179.7-70.3-178.5176.3162.4-2.6112.6R186 R190 S191R186-R188 PolarHBondContact O-N 2.75Å; R186-R188 VanDerWaalsContact O-N 3.09Å; R188-R190 VanDerWaalsContact C-N 3.33Å; R188-R190 PolarHBondContact O-N 3.06Å; R188-S191 PolarHBondContact O-OG 3.15Å
189H37.4Very low45.9Very low185 Ų185124.5 Ų124.586%0.85660%0.601SS**G310 helixtrans-81.63.9-174.3-79.9-60.8000116.2S187S187-H189 PolarHBondContact O-N 2.75Å
190R40.9Very low43.3Very low158 Ų158126.8 Ų126.860%0.59662%0.619SS**G310 helixtrans-111.24.2-178.5-136.7176.1-177.8165.10.6115.2R188 V194R188-R190 VanDerWaalsContact C-N 3.33Å; R188-R190 PolarHBondContact O-N 3.06Å; R190-V194 HydrophobicContact CG-CG2 4.41Å; R190-V194 WeakPolarHBondContact O-CG2 3.35Å
191S39.7Very low41.4Very low70 Ų70126.4 Ų126.449%0.4962%0.615SS.*Hα-helixtrans-71.9-31.3-171.452.90000114R188 I195R188-S191 PolarHBondContact O-OG 3.15Å; S191-I195 WeakPolarHBondContact O-CD1 3.49Å; S191-I195 VanDerWaalsContact O-CG1 3.25Å; S191-I195 WeakPolarHBondContact O-CG1 3.34Å
192N36.6Very low39.5Very low130 Ų130130.9 Ų130.970%0.69564%0.642SS**Hα-helixtrans-88.1-28.7-169.3-67.32000114.5V194N192-V194 VanDerWaalsContact C-N 3.34Å
193E37.8Very low38.1Very low139 Ų139129.5 Ų129.565%0.6564%0.635SS**Hα-helixtrans-80.8-14.3178.4-70-172.9165.900114
194V42.3Very low36.7Very low39 Ų39136.4 Ų136.424%0.23666%0.655CS.*Hα-helixtrans-96.2-16.9-174-176.70000112.1R190 N192 N196 R197R190-V194 HydrophobicContact CG-CG2 4.41Å; R190-V194 WeakPolarHBondContact O-CG2 3.35Å; N192-V194 VanDerWaalsContact C-N 3.34Å; V194-N196 VanDerWaalsContact C-N 3.33Å; V194-N196 PolarHBondContact O-N 3.4Å; V194-R197 PolarHBondContact O-N 2.81Å
195I39.9Very low35.6Very low129 Ų129133.1 Ų133.166%0.66264%0.644SS**THydrogen-bonded Turntrans-68.2-32.6178.4-64.9162.3000111.3S191S191-I195 WeakPolarHBondContact O-CD1 3.49Å; S191-I195 VanDerWaalsContact O-CG1 3.25Å; S191-I195 WeakPolarHBondContact O-CG1 3.34Å
196N36.5Very low34.9Very low154 Ų154129.5 Ų129.582%0.82463%0.633SS**THydrogen-bonded Turntrans-88.5-1176.6-82.1-10.5000114.6V194 N198V194-N196 VanDerWaalsContact C-N 3.33Å; V194-N196 PolarHBondContact O-N 3.4Å; N196-N198 PolarHBondContact O-N 2.93Å
197R31.7Very low34.3Very low150 Ų150129.8 Ų129.857%0.56665%0.645SS**SBendtrans-91.6109.6172.8-67-175.6-174.3179.63.9107.6V194V194-R197 PolarHBondContact O-N 2.81Å
198N33.3Very low34.1Very low146 Ų146134.8 Ų134.878%0.78166%0.655SS**  trans-28.1133.7162.8-96.5-20.7000109.5N196 V200N196-N198 PolarHBondContact O-N 2.93Å; N198-V200 PolarHBondContact O-N 3.26Å
199P39Very low33.5Very low76 Ų76127.5 Ų127.549%0.49465%0.651SS.*  trans-45.8120.7-177.819.8-30.8000107.5F201P199-F201 HydrophobicContact CB-CB 4.45Å; P199-F201 HydrophobicContact CB-CD2 4.04Å; P199-F201 PolarHBondContact O-N 2.92Å
200V32Very low33Very low95 Ų95124 Ų12458%0.57665%0.648SS**THydrogen-bonded Turntrans-7243.5-179.3-174.20000108.9N198N198-V200 PolarHBondContact O-N 3.26Å
201F34.4Very low32.5Very low113 Ų113122.9 Ų122.950%0.49666%0.661SS.*THydrogen-bonded Turntrans-95.9-1.4171.4-88-90000111.2L94 P199L94-F201 HydrophobicContact CD1-CD1 4.25Å; L94-F201 HydrophobicContact CD1-CE1 3.38Å; L94-F201 HydrophobicContact CD1-CZ 4.04Å; L94-F201 HydrophobicContact CG-CE1 4.23Å; P199-F201 HydrophobicContact CB-CB 4.45Å; P199-F201 HydrophobicContact CB-CD2 4.04Å; P199-F201 PolarHBondContact O-N 2.92Å
202N28.3Very low31.9Very low154 Ų154122.5 Ų122.582%0.82467%0.667SS**  trans-113.319.2179.3-89.6-6.2000114.3R204N202-R204 PolarHBondContact O-N 2.97Å
203S28.4Very low31.6Very low85 Ų85124.4 Ų124.459%0.59468%0.677SS**  trans-68.790.8161.356.10000107.5I205S203-I205 PolarHBondContact O-N 3.4Å
204R26.1Very low31.1Very low224 Ų224123 Ų12385%0.84568%0.683SS**  trans-40.5112.2154.3-88.9179.5-178.5169.20.9105.7N202 I206N202-R204 PolarHBondContact O-N 2.97Å; R204-I206 HydrophobicContact CB-CG1 4Å; R204-I206 PolarHBondContact O-N 2.92Å
205I29.3Very low30.4Very low86 Ų86129.2 Ų129.244%0.44171%0.714SS.*  trans-6693.2161.5-60.6176.1000103.6E97 S203 L207E97-I205 WeakPolarHBondContact OE1-CD1 3.26Å; S203-I205 PolarHBondContact O-N 3.4Å; I205-L207 VanDerWaalsContact C-N 3.32Å; I205-L207 HydrophobicContact CG2-CD2 4.19Å; I205-L207 PolarHBondContact O-N 3.47Å
206I27Very low30Very low128 Ų128130.1 Ų130.166%0.65672%0.716SS**  trans-71.397.9174.9-62.2175.5000105R204 K208R204-I206 HydrophobicContact CB-CG1 4Å; R204-I206 PolarHBondContact O-N 2.92Å; I206-K208 HydrophobicContact CG2-CB 4.34Å; I206-K208 HydrophobicContact CG2-CG 4.16Å; I206-K208 PolarHBondContact O-N 3.16Å
207L27.6Very low29.9Very low148 Ų148130 Ų13078%0.77571%0.705SS**  trans-65.786.5166.9-65.2175.8000107.8I205I205-L207 VanDerWaalsContact C-N 3.32Å; I205-L207 HydrophobicContact CG2-CD2 4.19Å; I205-L207 PolarHBondContact O-N 3.47Å
208K29.2Very low30.2Very low193 Ų193126.3 Ų126.384%0.83969%0.694SS**  trans-92.399.5172-118.3-172.4178-1740109.5I206I206-K208 HydrophobicContact CG2-CB 4.34Å; I206-K208 HydrophobicContact CG2-CG 4.16Å; I206-K208 PolarHBondContact O-N 3.16Å
209G26.4Very low30.4Very low75 Ų75121 Ų12177%0.77367%0.668SS**  trans65.9114137.900000119.6
210S26.7Very low30.3Very low113 Ų113124.1 Ų124.179%0.7968%0.675SS**  174.5133.698.3-167.10000109.7G212S210-G212 PolarHBondContact O-N 3.28Å
211P30.2Very low30.8Very low134 Ų134122.4 Ų122.487%0.8766%0.66SS**  trans-86.1104.6177.632.5-27.2000109.8
212G27.4Very low30.8Very low61 Ų61125 Ų12563%0.62967%0.673SS**  trans158.9113.5169.900000114.1S210S210-G212 PolarHBondContact O-N 3.28Å
213L29.4Very low30.8Very low171 Ų171119 Ų11990%0.89565%0.648SS**  trans67.8132.2163.5-88.681.1000119.8
214S28.1Very low31.1Very low110 Ų110116.2 Ų116.277%0.76963%0.632SS**  trans65.8117155.256.50000119.6
215D28.1Very low31.4Very low168 Ų168109.5 Ų109.590%0.89861%0.613SS**  trans33.4138.3140.7-74.8-33.3000122.2
216E31.5Very low32.4Very low149 Ų149113.3 Ų113.370%0.69662%0.622SS**  trans8971.8159.6-139.8169.2-154.800116.8E218E216-E218 VanDerWaalsContact C-N 3.32Å; E216-E218 HydrophobicContact CG-CG 4.43Å; E216-E218 PolarHBondContact O-N 2.81Å
217Y34.3Very low33.5Very low152 Ų152108.7 Ų108.760%0.59660%0.596SS**  trans-66.295150.7-178.8-91.6000108.5P219Y217-P219 HydrophobicContact CD1-CG 4.11Å; Y217-P219 HydrophobicContact CE1-CB 4.12Å; Y217-P219 HydrophobicContact CE1-CG 3.93Å; Y217-P219 WeakPolarHBondContact O-CD 3.31Å
218E36.5Very low34.7Very low72 Ų72102 Ų10234%0.33656%0.561SS.*  trans-79.5115.5163.5-103.4-143.4158.200109.1R39 E216 H220R39-E218 IonicContact NE-OE1 3.78Å; E216-E218 VanDerWaalsContact C-N 3.32Å; E216-E218 HydrophobicContact CG-CG 4.43Å; E216-E218 PolarHBondContact O-N 2.81Å; E218-H220 PolarHBondContact O-N 3.15Å; E218-H220 VanDerWaalsContact O-N 3.13Å; E218-H220 IonicContact OE2-CE1 3.87Å; E218-H220 IonicContact OE2-ND1 3.88Å
219P38.9Very low35.7Very low35 Ų3597.5 Ų97.523%0.22754%0.539CS..  trans-69.8111.4166.5-622.7000108.1Y217 F221Y217-P219 HydrophobicContact CD1-CG 4.11Å; Y217-P219 HydrophobicContact CE1-CB 4.12Å; Y217-P219 HydrophobicContact CE1-CG 3.93Å; Y217-P219 WeakPolarHBondContact O-CD 3.31Å; P219-F221 HydrophobicContact CB-CD2 3.57Å; P219-F221 HydrophobicContact CB-CE2 3.2Å; P219-F221 HydrophobicContact CB-CZ 3.93Å; P219-F221 HydrophobicContact CG-CD2 4.43Å; P219-F221 HydrophobicContact CG-CE2 3.94Å; P219-F221 PolarHBondContact O-N 3.28Å
220H37.2Very low36.8Very low141 Ų14194.7 Ų94.765%0.65351%0.507SS*.  trans-72.971.9175-71.2-43.5000111.9E218 H222E218-H220 PolarHBondContact O-N 3.15Å; E218-H220 VanDerWaalsContact O-N 3.13Å; E218-H220 IonicContact OE2-CE1 3.87Å; E218-H220 IonicContact OE2-ND1 3.88Å; H220-H222 PolarHBondContact O-N 3.23Å; H220-H222 PolarHBondContact O-ND1 3.06Å; H220-H222 VanDerWaalsContact O-ND1 3.08Å
221F41.5Very low37.9Very low59 Ų5994.2 Ų94.226%0.25950%0.495SS..  trans-76.2102.8171.3-67.3-66.6000110.1Y101 P219 G223 Y227Y101-F221 HydrophobicContact CD1-CE2 4.32Å; Y101-F221 AromaticContact CD2-CD2 3.87Å; Y101-F221 HydrophobicContact CD2-CD2 3.87Å; Y101-F221 AromaticContact CD2-CE2 3.35Å; Y101-F221 HydrophobicContact CD2-CE2 3.35Å; Y101-F221 HydrophobicContact CD2-CZ 4.31Å; Y101-F221 AromaticContact CE2-CD2 3.8Å; Y101-F221 HydrophobicContact CE2-CD2 3.8Å; Y101-F221 AromaticContact CE2-CE2 3.8Å; Y101-F221 HydrophobicContact CE2-CE2 3.8Å; Y101-F221 HydrophobicContact CG-CD2 4.37Å; Y101-F221 AromaticContact CG-CE2 3.63Å; Y101-F221 HydrophobicContact CG-CE2 3.63Å; Y101-F221 HydrophobicContact CG-CZ 4.17Å; P219-F221 HydrophobicContact CB-CD2 3.57Å; P219-F221 HydrophobicContact CB-CE2 3.2Å; P219-F221 HydrophobicContact CB-CZ 3.93Å; P219-F221 HydrophobicContact CG-CD2 4.43Å; P219-F221 HydrophobicContact CG-CE2 3.94Å; P219-F221 PolarHBondContact O-N 3.28Å; F221-G223 PolarHBondContact O-N 3.4Å; F221-Y227 AromaticContact CD1-CE1 3.57Å; F221-Y227 HydrophobicContact CD1-CE1 3.57Å; F221-Y227 AromaticContact CD1-CZ 3.85Å; F221-Y227 WeakPolarHBondContact CD1-OH 3.2Å; F221-Y227 AromaticContact CE1-CE1 3.62Å; F221-Y227 HydrophobicContact CE1-CE1 3.62Å; F221-Y227 HydrophobicContact CG-CE1 4.45Å; F221-Y227 WeakPolarHBondContact CG-OH 3.26Å
222H35.4Very low38.7Very low167 Ų16793.2 Ų93.277%0.77348%0.482SS*.  trans-81.884.5-179-74.338.3000111.1H220 G224H220-H222 PolarHBondContact O-N 3.23Å; H220-H222 PolarHBondContact O-ND1 3.06Å; H220-H222 VanDerWaalsContact O-ND1 3.08Å; H222-G224 VanDerWaalsContact C-N 3.26Å; H222-G224 PolarHBondContact O-N 3.13Å
223G28.1Very low39.9Very low29 Ų2995.5 Ų95.530%0.29948%0.475SS..SBendtrans1.342.2155.800000123.3E32 F221E32-G223 WeakPolarHBondContact OE1-CA 3.34Å; E32-G223 PolarHBondContact OE1-N 3.42Å; E32-G223 VanDerWaalsContact OE1-N 3.14Å; F221-G223 PolarHBondContact O-N 3.4Å
224G33.6Very low41Very low25 Ų2588.5 Ų88.526%0.25844%0.438SS..SBendtrans-152.885.2-179.800000113.6H222 R226H222-G224 VanDerWaalsContact C-N 3.26Å; H222-G224 PolarHBondContact O-N 3.13Å; G224-R226 VanDerWaalsContact C-N 3.29Å; G224-R226 WeakPolarHBondContact O-CB 3.3Å; G224-R226 VanDerWaalsContact O-CG 3.31Å; G224-R226 WeakPolarHBondContact O-CG 3.23Å; G224-R226 PolarHBondContact O-N 3.46Å; G224-R226 PolarHBondContact O-NE 3.46Å
225L33.3Very low42.2Very low84 Ų8487.7 Ų87.744%0.4442%0.418SS..SBendtrans61.122.7151.5-108151.2000116.5K184K184-L225 HydrophobicContact CB-CD1 4.26Å
226R50Low43.5Very low165 Ų16584.1 Ų84.162%0.62340%0.399SS*.  trans-14871-165.5-70.7179.8-108.2-1105.9113.8G224G224-R226 VanDerWaalsContact C-N 3.29Å; G224-R226 WeakPolarHBondContact O-CB 3.3Å; G224-R226 VanDerWaalsContact O-CG 3.31Å; G224-R226 WeakPolarHBondContact O-CG 3.23Å; G224-R226 PolarHBondContact O-N 3.46Å; G224-R226 PolarHBondContact O-NE 3.46Å
227Y50.1Low44.8Very low32 Ų3277.2 Ų77.213%0.12537%0.367CS..SBendtrans-92.6-40.9144.8-67.2-82.4000109.3L28 L94 I98 F221L28-Y227 HydrophobicContact CB-CD2 3.87Å; L28-Y227 HydrophobicContact CB-CE2 3.66Å; L28-Y227 HydrophobicContact CD1-CD1 4.19Å; L28-Y227 HydrophobicContact CD1-CD2 3.38Å; L28-Y227 HydrophobicContact CD1-CE1 4.49Å; L28-Y227 HydrophobicContact CD1-CE2 3.77Å; L28-Y227 HydrophobicContact CD1-CG 3.61Å; L28-Y227 HydrophobicContact CG-CD2 4.23Å; L28-Y227 HydrophobicContact CG-CE2 4.24Å; L94-Y227 WeakPolarHBondContact CD1-O 3.41Å; I98-Y227 HydrophobicContact CD1-CD1 3.99Å; I98-Y227 HydrophobicContact CD1-CG 4.4Å; I98-Y227 HydrophobicContact CG1-CD1 4.08Å; I98-Y227 HydrophobicContact CG1-CE1 4.39Å; F221-Y227 AromaticContact CD1-CE1 3.57Å; F221-Y227 HydrophobicContact CD1-CE1 3.57Å; F221-Y227 AromaticContact CD1-CZ 3.85Å; F221-Y227 WeakPolarHBondContact CD1-OH 3.2Å; F221-Y227 AromaticContact CE1-CE1 3.62Å; F221-Y227 HydrophobicContact CE1-CE1 3.62Å; F221-Y227 HydrophobicContact CG-CE1 4.45Å; F221-Y227 WeakPolarHBondContact CG-OH 3.26Å
228F53.5Low45.8Very low7 Ų771.2 Ų71.23%0.03134%0.344CS..SBendtrans-130.2133.1178.2-47.7-76.7000110.3L21 L24 N25 I91 L94 I98 V230L21-F228 HydrophobicContact CD1-CB 3.65Å; L21-F228 HydrophobicContact CD1-CD1 3.59Å; L21-F228 HydrophobicContact CD1-CD2 3.43Å; L21-F228 VanDerWaalsContact CD1-CD2 3.43Å; L21-F228 HydrophobicContact CD1-CE1 4.1Å; L21-F228 HydrophobicContact CD1-CE2 3.98Å; L21-F228 HydrophobicContact CD1-CG 3.22Å; L21-F228 HydrophobicContact CD1-CZ 4.27Å; L21-F228 HydrophobicContact CD2-CB 3.46Å; L21-F228 VanDerWaalsContact CD2-CB 3.46Å; L21-F228 HydrophobicContact CD2-CG 4.05Å; L21-F228 HydrophobicContact CG-CB 3.51Å; L21-F228 HydrophobicContact CG-CD1 4.42Å; L21-F228 HydrophobicContact CG-CD2 3.91Å; L21-F228 HydrophobicContact CG-CG 3.68Å; L24-F228 HydrophobicContact CD2-CD2 4.32Å; L24-F228 HydrophobicContact CD2-CE2 3.37Å; L24-F228 HydrophobicContact CD2-CZ 3.85Å; L24-F228 HydrophobicContact CG-CE2 4Å; N25-F228 WeakPolarHBondContact OD1-CD2 3.45Å; N25-F228 PolarHBondContact OD1-N 3.39Å; I91-F228 HydrophobicContact CB-CE1 4.09Å; I91-F228 HydrophobicContact CD1-CD1 4.25Å; I91-F228 HydrophobicContact CD1-CE1 3.2Å; I91-F228 HydrophobicContact CD1-CE2 4.47Å; I91-F228 HydrophobicContact CD1-CZ 3.33Å; I91-F228 HydrophobicContact CG1-CE1 4.21Å; I91-F228 HydrophobicContact CG2-CD1 4.1Å; I91-F228 HydrophobicContact CG2-CE1 3.86Å; L94-F228 HydrophobicContact CB-CE1 4.16Å; L94-F228 HydrophobicContact CD1-CD1 3.98Å; L94-F228 HydrophobicContact CD1-CE1 3.63Å; L94-F228 HydrophobicContact CD1-CZ 4.5Å; I98-F228 HydrophobicContact CD1-CE2 3.93Å; I98-F228 HydrophobicContact CD1-CZ 3.51Å; F228-V230 PolarHBondContact O-N 3.1Å
229R50Low47Very low99 Ų9970.3 Ų70.337%0.37434%0.339SS..  trans-67.9103.7163.1-76.2-174.6-176.4171.2-0.2106D231R229-D231 PolarHBondContact O-N 3Å; R229-D231 VanDerWaalsContact O-N 3.13Å
230V49.4Very low48.3Very low16 Ų1675.2 Ų75.210%0.09735%0.353CS..  trans-71.6102.4166-177.10000106.1N25 R186 F228 E234N25-V230 WeakPolarHBondContact ND2-CG2 3.37Å; R186-V230 PolarHBondContact NH2-O 3.04Å; F228-V230 PolarHBondContact O-N 3.1Å; V230-E234 VanDerWaalsContact CA-OE2 3.29Å; V230-E234 WeakPolarHBondContact CA-OE2 3.32Å; V230-E234 HydrophobicContact CG1-CB 3.51Å
231D50.3Low49.6Very low102 Ų10270.9 Ų70.955%0.54533%0.333SS..  trans-59.8153.9172.3-75.6-14.6000108.8R229 K233 E234 Y235R229-D231 PolarHBondContact O-N 3Å; R229-D231 VanDerWaalsContact O-N 3.13Å; D231-K233 PolarHBondContact O-N 3.08Å; D231-E234 WeakPolarHBondContact O-CB 3.47Å; D231-E234 PolarHBondContact O-N 2.94Å; D231-Y235 PolarHBondContact O-N 3Å; D231-Y235 VanDerWaalsContact O-N 3.14Å
232D46.5Very low50.4Low113 Ų11373.4 Ų73.460%0.60434%0.34SS*.Hα-helixtrans-55.5-29.8-177.9-69.8-22.4000112R186 E234 Y235 L236R186-D232 IonicContact NH1-OD1 2.75Å; D232-E234 PolarHBondContact O-N 3.04Å; D232-Y235 PolarHBondContact O-N 3.34Å; D232-L236 VanDerWaalsContact O-CB 3.31Å; D232-L236 WeakPolarHBondContact O-CB 3.41Å; D232-L236 VanDerWaalsContact O-CD1 3.32Å; D232-L236 WeakPolarHBondContact O-CD1 3.39Å; D232-L236 VanDerWaalsContact O-CG 3.23Å; D232-L236 WeakPolarHBondContact O-CG 3.23Å; D232-L236 PolarHBondContact O-N 2.99Å
233K52.8Low51.8Low110 Ų11072.3 Ų72.348%0.47833%0.334SS..Hα-helixtrans-58.2-44.9172.9-169.6-178.1-176.9-174.80112.5D14 D231 L236 A237D14-K233 IonicContact OD2-NZ 2.64Å; D14-K233 PolarHBondContact OD2-NZ 3.05Å; D231-K233 PolarHBondContact O-N 3.08Å; K233-L236 PolarHBondContact O-N 2.96Å; K233-A237 PolarHBondContact O-N 3.09Å
234E52.4Low53.4Low24 Ų2477 Ų7711%0.11234%0.342CS..Hα-helixtrans-75.7-34.7-178-64.7-179.6165.900112Y17 L21 V230 D231 D232 A237 Y238Y17-E234 WeakPolarHBondContact CD1-OE1 3.26Å; Y17-E234 WeakPolarHBondContact CE1-OE1 3.35Å; L21-E234 WeakPolarHBondContact CD2-OE2 3.41Å; V230-E234 VanDerWaalsContact CA-OE2 3.29Å; V230-E234 WeakPolarHBondContact CA-OE2 3.32Å; V230-E234 HydrophobicContact CG1-CB 3.51Å; D231-E234 WeakPolarHBondContact O-CB 3.47Å; D231-E234 PolarHBondContact O-N 2.94Å; D232-E234 PolarHBondContact O-N 3.04Å; E234-A237 WeakPolarHBondContact O-CB 3.48Å; E234-A237 PolarHBondContact O-N 3.35Å; E234-Y238 PolarHBondContact O-N 3.44Å; E234-Y238 VanDerWaalsContact O-N 3.07Å
235Y53.3Low54.3Low92 Ų9278.1 Ų78.136%0.36134%0.344SS..Hα-helixtrans-65.4-42.1171.7-179.7-100.1000111.5D231 D232 A237 Y238 Q239D231-Y235 PolarHBondContact O-N 3Å; D231-Y235 VanDerWaalsContact O-N 3.14Å; D232-Y235 PolarHBondContact O-N 3.34Å; Y235-A237 VanDerWaalsContact C-N 3.29Å; Y235-A237 PolarHBondContact O-N 3.26Å; Y235-Y238 PolarHBondContact O-N 2.87Å; Y235-Q239 HydrophobicContact CD1-CG 4.25Å; Y235-Q239 HydrophobicContact CE1-CG 3.85Å; Y235-Q239 WeakPolarHBondContact O-CG 3.42Å; Y235-Q239 PolarHBondContact O-N 3.47Å; Y235-Q239 PolarHBondContact OH-NE2 3.48Å
236L55.7Low55.4Low94 Ų9479.3 Ų79.349%0.49235%0.346SS..Hα-helixtrans-61.8-37.8173.9-78.6160.2000111.6D232 K233 Q239 R240D232-L236 VanDerWaalsContact O-CB 3.31Å; D232-L236 WeakPolarHBondContact O-CB 3.41Å; D232-L236 VanDerWaalsContact O-CD1 3.32Å; D232-L236 WeakPolarHBondContact O-CD1 3.39Å; D232-L236 VanDerWaalsContact O-CG 3.23Å; D232-L236 WeakPolarHBondContact O-CG 3.23Å; D232-L236 PolarHBondContact O-N 2.99Å; K233-L236 PolarHBondContact O-N 2.96Å; L236-Q239 PolarHBondContact O-N 3.5Å; L236-R240 VanDerWaalsContact O-CG 3.3Å; L236-R240 WeakPolarHBondContact O-CG 3.46Å; L236-R240 PolarHBondContact O-N 3.09Å
237A57.9Low55.3Low3 Ų377.5 Ų77.53%0.02534%0.344CS..Hα-helixtrans-59.5-51173.900000112.4D15 K233 E234 Y235 Q239 R240 F241D15-A237 HydrophobicContact CB-CB 4.29Å; D15-A237 WeakPolarHBondContact OD1-CA 3.38Å; D15-A237 WeakPolarHBondContact OD1-CB 3.37Å; K233-A237 PolarHBondContact O-N 3.09Å; E234-A237 WeakPolarHBondContact O-CB 3.48Å; E234-A237 PolarHBondContact O-N 3.35Å; Y235-A237 VanDerWaalsContact C-N 3.29Å; Y235-A237 PolarHBondContact O-N 3.26Å; A237-Q239 VanDerWaalsContact C-N 3.32Å; A237-Q239 PolarHBondContact O-N 2.87Å; A237-R240 WeakPolarHBondContact O-CB 3.11Å; A237-R240 PolarHBondContact O-N 2.83Å; A237-R240 VanDerWaalsContact O-N 3.12Å; A237-F241 PolarHBondContact O-N 2.6Å
238Y56.8Low55.1Low26 Ų2682 Ų8210%0.10237%0.366CS..Hα-helixtrans-58.3-42.8175171.1-101.7000112.6Y22 M23 E234 Y235 R240 F241 R242Y22-Y238 AromaticContact CD1-CD1 3.96Å; Y22-Y238 HydrophobicContact CD1-CD1 3.96Å; Y22-Y238 AromaticContact CD1-CD2 3.17Å; Y22-Y238 HydrophobicContact CD1-CD2 3.17Å; Y22-Y238 HydrophobicContact CD1-CE1 4.11Å; Y22-Y238 AromaticContact CD1-CE2 3.35Å; Y22-Y238 HydrophobicContact CD1-CE2 3.35Å; Y22-Y238 AromaticContact CD1-CG 3.48Å; Y22-Y238 HydrophobicContact CD1-CG 3.48Å; Y22-Y238 VanDerWaalsContact CD1-CG 3.48Å; Y22-Y238 AromaticContact CD1-CZ 3.82Å; Y22-Y238 HydrophobicContact CD2-CD1 4.01Å; Y22-Y238 AromaticContact CD2-CG 3.97Å; Y22-Y238 HydrophobicContact CD2-CG 3.97Å; Y22-Y238 AromaticContact CE1-CD1 3.7Å; Y22-Y238 HydrophobicContact CE1-CD1 3.7Å; Y22-Y238 AromaticContact CE1-CD2 3.42Å; Y22-Y238 HydrophobicContact CE1-CD2 3.42Å; Y22-Y238 VanDerWaalsContact CE1-CD2 3.42Å; Y22-Y238 AromaticContact CE1-CE1 3.4Å; Y22-Y238 HydrophobicContact CE1-CE1 3.4Å; Y22-Y238 VanDerWaalsContact CE1-CE1 3.4Å; Y22-Y238 AromaticContact CE1-CE2 3.1Å; Y22-Y238 HydrophobicContact CE1-CE2 3.1Å; Y22-Y238 AromaticContact CE1-CG 3.69Å; Y22-Y238 HydrophobicContact CE1-CG 3.69Å; Y22-Y238 AromaticContact CE1-CZ 3.07Å; Y22-Y238 AromaticContact CE2-CD1 3.72Å; Y22-Y238 HydrophobicContact CE2-CD1 3.72Å; Y22-Y238 AromaticContact CE2-CE1 3.88Å; Y22-Y238 HydrophobicContact CE2-CE1 3.88Å; Y22-Y238 HydrophobicContact CE2-CG 4.13Å; Y22-Y238 HydrophobicContact CG-CD1 4.11Å; Y22-Y238 AromaticContact CG-CD2 3.79Å; Y22-Y238 HydrophobicContact CG-CD2 3.79Å; Y22-Y238 HydrophobicContact CG-CE2 4.34Å; Y22-Y238 AromaticContact CG-CG 3.64Å; Y22-Y238 HydrophobicContact CG-CG 3.64Å; Y22-Y238 AromaticContact CZ-CD1 3.54Å; Y22-Y238 AromaticContact CZ-CE1 3.23Å; Y22-Y238 AromaticContact CZ-CE2 3.9Å; Y22-Y238 AromaticContact CZ-CG 3.98Å; Y22-Y238 AromaticContact CZ-CZ 3.42Å; Y22-Y238 VanDerWaalsContact CZ-CZ 3.42Å; Y22-Y238 VanDerWaalsContact OH-CE1 3.23Å; Y22-Y238 WeakPolarHBondContact OH-CE1 3.41Å; Y22-Y238 PolarHBondContact OH-OH 3.42Å; M23-Y238 HydrophobicContact SD-CE2 4.05Å; E234-Y238 PolarHBondContact O-N 3.44Å; E234-Y238 VanDerWaalsContact O-N 3.07Å; Y235-Y238 PolarHBondContact O-N 2.87Å; Y238-R240 VanDerWaalsContact C-N 3.3Å; Y238-R240 PolarHBondContact O-N 2.94Å; Y238-F241 WeakPolarHBondContact O-CB 3.43Å; Y238-F241 PolarHBondContact O-N 3.02Å; Y238-R242 PolarHBondContact O-N 3.43Å
239Q61.6Low54.5Low53 Ų5387.9 Ų87.925%0.24840%0.398CS..Hα-helixtrans-63-37177.4-72.4-71.3-0.100112.1Y235 L236 A237 K243Y235-Q239 HydrophobicContact CD1-CG 4.25Å; Y235-Q239 HydrophobicContact CE1-CG 3.85Å; Y235-Q239 WeakPolarHBondContact O-CG 3.42Å; Y235-Q239 PolarHBondContact O-N 3.47Å; Y235-Q239 PolarHBondContact OH-NE2 3.48Å; L236-Q239 PolarHBondContact O-N 3.5Å; A237-Q239 VanDerWaalsContact C-N 3.32Å; A237-Q239 PolarHBondContact O-N 2.87Å; Q239-K243 WeakPolarHBondContact O-CG 3.44Å; Q239-K243 PolarHBondContact O-N 2.94Å; Q239-K243 VanDerWaalsContact O-N 3.07Å
240R65.9Low54.4Low138 Ų13891.2 Ų91.252%0.52142%0.418SS..Hα-helixtrans-64.5-45.8173.1-71.5166.5177.5178.1-0.5111L236 A237 Y238 K243 R244L236-R240 VanDerWaalsContact O-CG 3.3Å; L236-R240 WeakPolarHBondContact O-CG 3.46Å; L236-R240 PolarHBondContact O-N 3.09Å; A237-R240 WeakPolarHBondContact O-CB 3.11Å; A237-R240 PolarHBondContact O-N 2.83Å; A237-R240 VanDerWaalsContact O-N 3.12Å; Y238-R240 VanDerWaalsContact C-N 3.3Å; Y238-R240 PolarHBondContact O-N 2.94Å; R240-K243 PolarHBondContact O-N 3.27Å; R240-R244 WeakPolarHBondContact O-CG 3.3Å; R240-R244 PolarHBondContact O-N 2.92Å
241F63.6Low54.4Low50 Ų5095.7 Ų95.722%0.21945%0.446CS..Hα-helixtrans-58-50.2175.6176.5-97.6000111.8Q19 A237 Y238 K243 R244 T245Q19-F241 VanDerWaalsContact CD-CG 3.44Å; Q19-F241 HydrophobicContact CG-CD1 4.49Å; Q19-F241 HydrophobicContact CG-CG 4.4Å; Q19-F241 VanDerWaalsContact NE2-CG 3.27Å; A237-F241 PolarHBondContact O-N 2.6Å; Y238-F241 WeakPolarHBondContact O-CB 3.43Å; Y238-F241 PolarHBondContact O-N 3.02Å; F241-K243 VanDerWaalsContact C-N 3.27Å; F241-K243 PolarHBondContact O-N 3.04Å; F241-R244 WeakPolarHBondContact O-CB 3.33Å; F241-R244 PolarHBondContact O-N 3.16Å; F241-T245 HydrophobicContact CD1-CG2 4.28Å; F241-T245 HydrophobicContact CD2-CG2 4.48Å; F241-T245 HydrophobicContact CE1-CG2 3.68Å; F241-T245 HydrophobicContact CE2-CG2 3.91Å; F241-T245 HydrophobicContact CZ-CG2 3.46Å; F241-T245 VanDerWaalsContact CZ-CG2 3.46Å; F241-T245 PolarHBondContact O-N 3.48Å; F241-T245 PolarHBondContact O-OG1 3.41Å
242R59Low53.7Low112 Ų11293.8 Ų93.842%0.42344%0.44SS..Hα-helixtrans-61.2-34.7179.8-167.9-177.3-177.6-1602.9112.7Y238 T245 K246Y238-R242 PolarHBondContact O-N 3.43Å; R242-T245 WeakPolarHBondContact CA-OG1 3.39Å; R242-T245 PolarHBondContact O-OG1 3.47Å; R242-K246 WeakPolarHBondContact O-CB 3.28Å; R242-K246 WeakPolarHBondContact O-CG 3.45Å; R242-K246 PolarHBondContact O-N 2.93Å; R242-K246 VanDerWaalsContact O-N 3.08Å
243K64.7Low53Low145 Ų14594.7 Ų94.763%0.6345%0.452SS*.Hα-helixtrans-67.3-40.9173.5-76.4-178.1178.9-171.70111.8Q239 R240 F241 Q247Q239-K243 WeakPolarHBondContact O-CG 3.44Å; Q239-K243 PolarHBondContact O-N 2.94Å; Q239-K243 VanDerWaalsContact O-N 3.07Å; R240-K243 PolarHBondContact O-N 3.27Å; F241-K243 VanDerWaalsContact C-N 3.27Å; F241-K243 PolarHBondContact O-N 3.04Å; K243-Q247 WeakPolarHBondContact O-CG 3.35Å; K243-Q247 PolarHBondContact O-N 3.26Å
244R61.5Low52.1Low128 Ų12893 Ų9348%0.48347%0.465SS..Hα-helixtrans-65-42.5176.8-68.4177-169150.25.3111.9D15 R240 F241 Q247 H248D15-R244 IonicContact OD2-NH1 3.94Å; D15-R244 PolarHBondContact OD2-NH1 2.93Å; D15-R244 IonicContact OD2-NH2 2.69Å; R240-R244 WeakPolarHBondContact O-CG 3.3Å; R240-R244 PolarHBondContact O-N 2.92Å; F241-R244 WeakPolarHBondContact O-CB 3.33Å; F241-R244 PolarHBondContact O-N 3.16Å; R244-Q247 PolarHBondContact O-N 2.97Å; R244-H248 PolarHBondContact O-N 3.41Å
245T52.9Low51.1Low48 Ų4899.9 Ų99.929%0.29450%0.495SS..Hα-helixtrans-69-41.3178.450.60000112.4F241 R242 Q247 H248 D249F241-T245 HydrophobicContact CD1-CG2 4.28Å; F241-T245 HydrophobicContact CD2-CG2 4.48Å; F241-T245 HydrophobicContact CE1-CG2 3.68Å; F241-T245 HydrophobicContact CE2-CG2 3.91Å; F241-T245 HydrophobicContact CZ-CG2 3.46Å; F241-T245 VanDerWaalsContact CZ-CG2 3.46Å; F241-T245 PolarHBondContact O-N 3.48Å; F241-T245 PolarHBondContact O-OG1 3.41Å; R242-T245 WeakPolarHBondContact CA-OG1 3.39Å; R242-T245 PolarHBondContact O-OG1 3.47Å; T245-Q247 VanDerWaalsContact C-N 3.33Å; T245-Q247 PolarHBondContact O-N 3.44Å; T245-H248 PolarHBondContact O-N 3.24Å; T245-H248 VanDerWaalsContact O-N 3.1Å; T245-D249 PolarHBondContact O-N 3.48Å
246K55.5Low50Low109 Ų109100.6 Ų100.647%0.47451%0.514SS..Hα-helixtrans-59.8-40.1172.7-77.6-172.2172.6-155.90113.2R242 H248 D249 E250R242-K246 WeakPolarHBondContact O-CB 3.28Å; R242-K246 WeakPolarHBondContact O-CG 3.45Å; R242-K246 PolarHBondContact O-N 2.93Å; R242-K246 VanDerWaalsContact O-N 3.08Å; K246-H248 VanDerWaalsContact C-N 3.32Å; K246-D249 PolarHBondContact O-N 3.3Å; K246-E250 PolarHBondContact O-N 3.01Å; K246-E250 VanDerWaalsContact O-N 3.13Å
247Q48.7Very low48.9Very low126 Ų126101.8 Ų101.859%0.58953%0.525SS*.Hα-helixtrans-66.5-35174.6-76.8-179.6-15.900112K243 R244 T245 E250 T251K243-Q247 WeakPolarHBondContact O-CG 3.35Å; K243-Q247 PolarHBondContact O-N 3.26Å; R244-Q247 PolarHBondContact O-N 2.97Å; T245-Q247 VanDerWaalsContact C-N 3.33Å; T245-Q247 PolarHBondContact O-N 3.44Å; Q247-E250 PolarHBondContact O-N 3.32Å; Q247-T251 WeakPolarHBondContact O-CB 3.42Å; Q247-T251 PolarHBondContact O-N 3.09Å; Q247-T251 PolarHBondContact O-OG1 2.99Å
248H45.2Very low47.6Very low126 Ų126106.7 Ų106.758%0.58355%0.554SS**Hα-helixtrans-69.1-36.7177.3-125.2-73.5000112.7R244 T245 K246 S252R244-H248 PolarHBondContact O-N 3.41Å; T245-H248 PolarHBondContact O-N 3.24Å; T245-H248 VanDerWaalsContact O-N 3.1Å; K246-H248 VanDerWaalsContact C-N 3.32Å; H248-S252 PolarHBondContact O-N 2.97Å
249D42.2Very low46.5Very low132 Ų132116 Ų11671%0.70659%0.589SS**Hα-helixtrans-71.2-30.1175.9-71.1-22.8000112.7T245 K246T245-D249 PolarHBondContact O-N 3.48Å; K246-D249 PolarHBondContact O-N 3.3Å
250E46.8Very low45Very low168 Ų168119.1 Ų119.179%0.78561%0.608SS**Hα-helixtrans-85.1-22.2177.1-73178.6-177.900113.7K246 Q247K246-E250 PolarHBondContact O-N 3.01Å; K246-E250 VanDerWaalsContact O-N 3.13Å; Q247-E250 PolarHBondContact O-N 3.32Å
251T48.8Very low43.3Very low111 Ų111121.3 Ų121.368%0.68163%0.629SS**Hα-helixtrans-107-2.7-173.8-30.40000114Q247Q247-T251 WeakPolarHBondContact O-CB 3.42Å; Q247-T251 PolarHBondContact O-N 3.09Å; Q247-T251 PolarHBondContact O-OG1 2.99Å
252S35.8Very low41.8Very low61 Ų61126.5 Ų126.543%0.42765%0.654SS.*  trans-159.491174.5-80.40000112.3H248 G254H248-S252 PolarHBondContact O-N 2.97Å; S252-G254 PolarHBondContact O-N 3.49Å
253P32.4Very low40.3Very low132 Ų132125.4 Ų125.486%0.85766%0.663SS**THydrogen-bonded Turntrans-70.2102.8163.930.2-28.5000107.4
254G32.8Very low38.6Very low74 Ų74125.8 Ų125.876%0.76368%0.677SS**THydrogen-bonded Turntrans110.826.716100000119.5S252S252-G254 PolarHBondContact O-N 3.49Å
255K31.6Very low37.1Very low170 Ų170126.3 Ų126.374%0.73969%0.685SS**  trans-133.693.1165.7-71-173.7-179.11790112.4V257K255-V257 PolarHBondContact O-N 3Å; K255-V257 VanDerWaalsContact O-N 3.16Å
256S31.5Very low35.9Very low107 Ų107129 Ų12975%0.74871%0.705SS**  trans-72.297.3165.549.60000109.6T258S256-T258 PolarHBondContact O-N 3.18Å
257V31.2Very low34.7Very low119 Ų119133.9 Ų133.972%0.72172%0.723SS**  trans-8099.6164.9177.10000107.3K255 R259K255-V257 PolarHBondContact O-N 3Å; K255-V257 VanDerWaalsContact O-N 3.16Å; V257-R259 PolarHBondContact O-N 3.21Å; V257-R259 VanDerWaalsContact O-N 3.09Å
258T32.3Very low33.9Very low105 Ų105135.2 Ų135.264%0.64473%0.734SS**  trans-68.899.8165.940.50000108.1S256 D260S256-T258 PolarHBondContact O-N 3.18Å; T258-D260 PolarHBondContact O-N 3.12Å
259R32.7Very low33.1Very low221 Ų221133.6 Ų133.683%0.83474%0.737SS**  trans-72.5100.4158.7-77.4-173.4175.7108.5-0.6107V257 L261V257-R259 PolarHBondContact O-N 3.21Å; V257-R259 VanDerWaalsContact O-N 3.09Å; R259-L261 PolarHBondContact O-N 3.26Å
260D30Very low32.5Very low120 Ų120134.2 Ų134.264%0.64274%0.74SS**  trans-55.2119.5163.5-79.8-31000109.2T258 Q262T258-D260 PolarHBondContact O-N 3.12Å; D260-Q262 HydrophobicContact CB-CB 4.48Å; D260-Q262 HydrophobicContact CB-CG 4.17Å; D260-Q262 PolarHBondContact O-N 3.46Å; D260-Q262 VanDerWaalsContact O-N 3.12Å
261L31Very low32.1Very low184 Ų184133.8 Ų133.896%0.96374%0.741SS**  trans-82.263.9157.9-80.2161.5000107.4R259R259-L261 PolarHBondContact O-N 3.26Å
262Q31Very low31.2Very low159 Ų159136.4 Ų136.474%0.74375%0.751SS**  trans-76.1128163-84.1-174.3-3.300108.6D260D260-Q262 HydrophobicContact CB-CB 4.48Å; D260-Q262 HydrophobicContact CB-CG 4.17Å; D260-Q262 PolarHBondContact O-N 3.46Å; D260-Q262 VanDerWaalsContact O-N 3.12Å
263S27.6Very low31Very low89 Ų89136.9 Ų136.962%0.62277%0.766SS**  trans62.3104148.1157.80000117
264V29.3Very low30.8Very low153 Ų153138.1 Ų138.193%0.92777%0.766SS**  trans-132.4108.3132.4-176.30000108.2
265H31Very low30.8Very low138 Ų138142.9 Ų142.964%0.63977%0.768SS**  trans-53.5147.2175.4-8638.1000112.8Y267H265-Y267 HydrophobicContact CB-CD2 4.38Å; H265-Y267 PolarHBondContact O-N 3.32Å
266S26.3Very low30.8Very low104 Ų104141.6 Ų141.673%0.72777%0.769SS**  trans-51.6125.8151.854.40000110.5
267Y30.6Very low30.6Very low212 Ų212148 Ų14883%0.83178%0.779SS**  trans-144.8105.8146.5-91.8-77.5000108.1H265H265-Y267 HydrophobicContact CB-CD2 4.38Å; H265-Y267 PolarHBondContact O-N 3.32Å
268N32Very low30.4Very low154 Ų154148.2 Ų148.282%0.82478%0.78SS**  trans-66.8127.2158.2-85.5-21.5000107.4
269S29.2Very low30.3Very low93 Ų93151.2 Ų151.265%0.6579%0.79SS**  trans13.8114.314249.50000116.4
270D29.7Very low29.9Very low145 Ų145148.5 Ų148.578%0.77578%0.784SS**  -172.8148.1113.5-85.8-21.6000110.9
271I36.7Very low29.9Very low158 Ų158151.2 Ų151.281%0.8180%0.798SS**  trans91.8100.4161-54.6142.5000117.9
272N30.9Very low29.7Very low166 Ų166147.4 Ų147.489%0.88878%0.778SS**  trans27131.4132-83.5-14.8000120.9
273G31.3Very low29.8Very low72 Ų72147.8 Ų147.874%0.74279%0.785SS**  trans114.3106.6140.400000115.5
274N27.6Very low29.9Very low158 Ų158150 Ų15085%0.84579%0.79SS**  trans34.8132.6143.3-77.2-7.9000121.4
275Q32.7Very low30.3Very low174 Ų174151.7 Ų151.781%0.81379%0.787SS**  trans106.2111.7153.6-67.8172.7-24.700118.4
276D31.2Very low30.4Very low142 Ų142154.8 Ų154.876%0.75980%0.799SS**  trans63.5100.3136.4-57.4-16.3000120.8
277Y27.5Very low30.8Very low243 Ų243159.1 Ų159.195%0.95380%0.804SS**  trans-98.9111.5158.5-68-79.3000110.5
278V27.1Very low31Very low123 Ų123156.2 Ų156.275%0.74580%0.803SS**  trans-129.7109.3161.11770000107.9
279I29.9Very low30.9Very low168 Ų168155.7 Ų155.786%0.86280%0.8SS**  trans-141.9108.6143-58.3-174.1000108.5
280K25.2Very low31.3Very low163 Ų163160.4 Ų160.471%0.70981%0.809SS**  trans-70.1140.7163.5-83.4171.8170.3172.80109.5I282K280-I282 HydrophobicContact CD-CD1 4.3Å
281L29.5Very low31.7Very low177 Ų177161.5 Ų161.593%0.92781%0.809SS**  trans-134.5111.2142.4-82171.2000108.6
282I28Very low31.8Very low105 Ų105169.3 Ų169.354%0.53883%0.829SS.*  trans-87.5135.7172.6-65.7165.1000106.1K280K280-I282 HydrophobicContact CD-CD1 4.3Å
283D33.4Very low31.9Very low167 Ų167169.5 Ų169.589%0.89383%0.826SS**  trans-131.1114.6153.3-99.7-25.8000109.7
284N29.3Very low31.9Very low136 Ų136174.6 Ų174.673%0.72783%0.83SS**  trans-81124.7179.6-78.6-35000110.1
285H37.8Very low32.2Very low187 Ų187175.6 Ų175.687%0.86683%0.829SS**  trans-139.7105.5152.9-89.9-74.6000111.6
286K31.8Very low32.1Very low204 Ų204175.6 Ų175.689%0.88783%0.83SS**  trans2.1126.4155.9-67.5177.1172.8-1790118.6
287K35Very low32.2Very low194 Ų194177.8 Ų177.884%0.84384%0.835SS**  trans-148.6103139.9-118.1-179.5173.5-177.40106.2
288L34.9Very low32.5Very low152 Ų152173.4 Ų173.480%0.79683%0.827SS**  77.1120.696.6-90.5155.5000112.1
289D30.7Very low32.9Very low143 Ų143177 Ų17777%0.76583%0.832SS**  trans-53.7152.1-176.3-52.5-61.8000114
290F36.5Very low33.1Very low192 Ų192177.7 Ų177.784%0.84283%0.83SS**  -168.9115.6129.2-108.7-75.2000111.1
291E37.7Very low33.8Very low167 Ų167178.9 Ų178.978%0.7884%0.84SS**  trans8.7122150.8-58.9174.4152.800120
292R40.7Very low34.2Very low323 Ų323179.1 Ų179.1100%1.21983%0.832SS**  -165.6084.7-92.1-172.9-162.3-179.55.7110.2

Retrieved 292 of 292 residues in 116.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).