A0A077ZAM6_TRITR Loading...

non-specific serine/threonine protein kinase

AlphaFold DB , UniProt , Accession A0A077ZAM6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,138 aa.

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

 

Download Structure   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
1M72.7Confident86.1Confident209 Ų20969.4 Ų69.4100%1.0339%0.389SS*.  0-560-76.4178.368.300112.9V3 S4 A5M1-V3 PolarHBondContact O-N 3.13Å; M1-S4 WeakPolarHBondContact O-CB 3.09Å; M1-S4 PolarHBondContact O-N 3.19Å; M1-S4 VanDerWaalsContact O-N 3.09Å; M1-A5 PolarHBondContact O-N 3.39Å; M1-A5 VanDerWaalsContact O-N 3.07Å
2V85Confident86.2Confident114 Ų11469.2 Ų69.269%0.69139%0.39SS*.Hα-helixtrans-52.1-50.9-176.9-178.80000113S4 A5 C6V2-S4 VanDerWaalsContact C-N 3.32Å; V2-S4 PolarHBondContact O-N 3.29Å; V2-A5 WeakPolarHBondContact O-CB 3.47Å; V2-A5 PolarHBondContact O-N 3.01Å; V2-C6 PolarHBondContact O-N 3.12Å; V2-C6 PolarHBondContact O-SG 3.42Å
3V83.4Confident86.3Confident51 Ų5169 Ų6931%0.30939%0.387SS..Hα-helixtrans-53.2-46.4177173.70000112.5M1 A5 C6 L7 L37 N40M1-V3 PolarHBondContact O-N 3.13Å; V3-A5 VanDerWaalsContact C-N 3.33Å; V3-A5 PolarHBondContact O-N 2.77Å; V3-C6 PolarHBondContact O-N 2.85Å; V3-L7 HydrophobicContact CG1-CD1 4.01Å; V3-L7 PolarHBondContact O-N 2.93Å; V3-L37 HydrophobicContact CB-CD2 4.46Å; V3-L37 HydrophobicContact CG1-CD2 3.53Å; V3-L37 HydrophobicContact CG2-CD2 4.07Å; V3-N40 HydrophobicContact CG1-CB 4.39Å
4S85.4Confident86.3Confident28 Ų2872.1 Ų72.120%0.19640%0.397CS..Hα-helixtrans-63.7-39.7178.5-178.40000111.8M1 V2 K8 N40 H44M1-S4 WeakPolarHBondContact O-CB 3.09Å; M1-S4 PolarHBondContact O-N 3.19Å; M1-S4 VanDerWaalsContact O-N 3.09Å; V2-S4 VanDerWaalsContact C-N 3.32Å; V2-S4 PolarHBondContact O-N 3.29Å; S4-K8 WeakPolarHBondContact O-CB 3.28Å; S4-K8 PolarHBondContact O-N 2.63Å; S4-N40 WeakPolarHBondContact CB-OD1 3.29Å; S4-N40 PolarHBondContact OG-OD1 3.39Å; S4-H44 PolarHBondContact O-NE2 2.93Å; S4-H44 PolarHBondContact OG-NE2 3.44Å; S4-H44 VanDerWaalsContact OG-NE2 3.07Å
5A87Confident86Confident49 Ų4971.4 Ų71.441%0.40540%0.397SS..Hα-helixtrans-67-42.2178.800000110.7M1 V2 V3 N9M1-A5 PolarHBondContact O-N 3.39Å; M1-A5 VanDerWaalsContact O-N 3.07Å; V2-A5 WeakPolarHBondContact O-CB 3.47Å; V2-A5 PolarHBondContact O-N 3.01Å; V3-A5 VanDerWaalsContact C-N 3.33Å; V3-A5 PolarHBondContact O-N 2.77Å; A5-N9 WeakPolarHBondContact O-CB 3.39Å; A5-N9 PolarHBondContact O-N 2.66Å; A5-N9 PolarHBondContact O-ND2 3.35Å
6C89.9Confident85.9Confident65 Ų6575.7 Ų75.744%0.43941%0.413SS..Hα-helixtrans-60.7-52.1175-64.70000111.8V2 V3 K8 N9 L10V2-C6 PolarHBondContact O-N 3.12Å; V2-C6 PolarHBondContact O-SG 3.42Å; V3-C6 PolarHBondContact O-N 2.85Å; C6-K8 PolarHBondContact O-N 3.23Å; C6-N9 PolarHBondContact O-N 2.61Å; C6-L10 WeakPolarHBondContact O-CB 3.47Å; C6-L10 VanDerWaalsContact O-CG 3.24Å; C6-L10 WeakPolarHBondContact O-CG 3.18Å; C6-L10 PolarHBondContact O-N 3.34Å
7L89.6Confident86.1Confident4 Ų475.4 Ų75.42%0.02141%0.41CS..Hα-helixtrans-64.1-39.4179.8-72.2174.1000112.4V3 L10 A11 I25 F26 N40 A41V3-L7 HydrophobicContact CG1-CD1 4.01Å; V3-L7 PolarHBondContact O-N 2.93Å; L7-L10 PolarHBondContact O-N 3.2Å; L7-A11 WeakPolarHBondContact O-CB 3.36Å; L7-A11 PolarHBondContact O-N 3.13Å; L7-I25 HydrophobicContact CD2-CG2 3.84Å; L7-F26 HydrophobicContact CB-CZ 4.25Å; L7-F26 HydrophobicContact CD2-CD2 4.17Å; L7-F26 HydrophobicContact CD2-CE2 3.96Å; L7-F26 HydrophobicContact CD2-CZ 4.15Å; L7-N40 HydrophobicContact CD1-CB 3.82Å; L7-A41 HydrophobicContact CD1-CB 4.41Å
8K88.1Confident86.2Confident108 Ų10875.8 Ų75.847%0.4742%0.419SS..Hα-helixtrans-60.2-50173.5-175.2-175.7177.2-172.90111.2S4 C6 L10 A11 V12S4-K8 WeakPolarHBondContact O-CB 3.28Å; S4-K8 PolarHBondContact O-N 2.63Å; C6-K8 PolarHBondContact O-N 3.23Å; K8-L10 VanDerWaalsContact C-N 3.3Å; K8-L10 PolarHBondContact O-N 2.79Å; K8-A11 PolarHBondContact O-N 2.98Å; K8-V12 WeakPolarHBondContact O-CG2 3.48Å; K8-V12 PolarHBondContact O-N 3.3Å; K8-V12 VanDerWaalsContact O-N 3.1Å
9N88.6Confident86.3Confident111 Ų11174 Ų7459%0.59441%0.411SS*.Hα-helixtrans-61.1-41.5179.9-73.2-13.4000111.1A5 C6 V12 L13A5-N9 WeakPolarHBondContact O-CB 3.39Å; A5-N9 PolarHBondContact O-N 2.66Å; A5-N9 PolarHBondContact O-ND2 3.35Å; C6-N9 PolarHBondContact O-N 2.61Å; N9-V12 PolarHBondContact O-N 3.03Å; N9-L13 WeakPolarHBondContact O-CG 3.46Å; N9-L13 PolarHBondContact O-N 3.21Å
10L89.8Confident86.4Confident24 Ų2476.5 Ų76.513%0.12642%0.423CS..Hα-helixtrans-62.4-41.4175.5-70.8170.2000112.5C6 L7 K8 L13 W21 R22 I25 F26C6-L10 WeakPolarHBondContact O-CB 3.47Å; C6-L10 VanDerWaalsContact O-CG 3.24Å; C6-L10 WeakPolarHBondContact O-CG 3.18Å; C6-L10 PolarHBondContact O-N 3.34Å; L7-L10 PolarHBondContact O-N 3.2Å; K8-L10 VanDerWaalsContact C-N 3.3Å; K8-L10 PolarHBondContact O-N 2.79Å; L10-L13 HydrophobicContact CD2-CD1 4.27Å; L10-W21 HydrophobicContact CD2-CE3 4.21Å; L10-W21 HydrophobicContact CD2-CH2 3.84Å; L10-W21 HydrophobicContact CD2-CZ3 3.3Å; L10-R22 HydrophobicContact CD2-CG 4.49Å; L10-R22 WeakPolarHBondContact O-CD 3.41Å; L10-I25 HydrophobicContact CD1-CB 4.49Å; L10-I25 HydrophobicContact CD1-CD1 3.64Å; L10-I25 HydrophobicContact CD1-CG2 3.95Å; L10-I25 HydrophobicContact CD2-CD1 4.37Å; L10-F26 HydrophobicContact CB-CE2 4.37Å
11A87.9Confident86.6Confident0 Ų080 Ų800%043%0.43CS..Hα-helixtrans-65.4-36.6178.800000112.8L7 K8 L13 F26 H44 M47 L48 R51L7-A11 WeakPolarHBondContact O-CB 3.36Å; L7-A11 PolarHBondContact O-N 3.13Å; K8-A11 PolarHBondContact O-N 2.98Å; A11-L13 VanDerWaalsContact C-N 3.34Å; A11-L13 PolarHBondContact O-N 3.16Å; A11-F26 HydrophobicContact CB-CZ 4.03Å; A11-H44 HydrophobicContact CB-CB 4.32Å; A11-M47 HydrophobicContact CB-CB 4Å; A11-M47 HydrophobicContact CB-CG 3.9Å; A11-L48 HydrophobicContact CB-CB 4.32Å; A11-R51 VanDerWaalsContact O-CG 3.3Å; A11-R51 WeakPolarHBondContact O-CG 3.48Å
12V87Confident87.6Confident67 Ų6770 Ų7041%0.40638%0.381SS..Hα-helixtrans-80-12.5-175.4177.60000113.3K8 N9 M47K8-V12 WeakPolarHBondContact O-CG2 3.48Å; K8-V12 PolarHBondContact O-N 3.3Å; K8-V12 VanDerWaalsContact O-N 3.1Å; N9-V12 PolarHBondContact O-N 3.03Å; V12-M47 HydrophobicContact CG2-CG 4.03Å
13L87.7Confident87.8Confident67 Ų6765.8 Ų65.835%0.35135%0.353SS..SBendtrans-56.2148.6178.7-70.2176.5000112.5N9 L10 A11 L17 R22N9-L13 WeakPolarHBondContact O-CG 3.46Å; N9-L13 PolarHBondContact O-N 3.21Å; L10-L13 HydrophobicContact CD2-CD1 4.27Å; A11-L13 VanDerWaalsContact C-N 3.34Å; A11-L13 PolarHBondContact O-N 3.16Å; L13-L17 HydrophobicContact CB-CB 4.43Å; L13-L17 HydrophobicContact CB-CD1 4.4Å; L13-L17 HydrophobicContact CD2-CD1 4.24Å; L13-R22 PolarHBondContact O-NH1 3.13Å
14Q85.6Confident88.2Confident113 Ų11366.6 Ų66.653%0.52836%0.361SS..  trans-52.2148178-68-70.8-1900112H16 L17 R22Q14-H16 VanDerWaalsContact C-N 3.26Å; Q14-H16 PolarHBondContact O-N 2.92Å; Q14-H16 VanDerWaalsContact O-N 3.11Å; Q14-L17 HydrophobicContact CB-CD1 3.86Å; Q14-L17 HydrophobicContact CB-CG 4.1Å; Q14-L17 HydrophobicContact CG-CD1 4.36Å; Q14-L17 PolarHBondContact O-N 3.16Å; Q14-R22 PolarHBondContact O-NH2 2.82Å
15P81.8Confident88.4Confident61 Ų6167 Ų6740%0.39636%0.36SS..THydrogen-bonded Turntrans-52.7-39.7-172-21.925.9000114.2L17 R22 R51P15-L17 PolarHBondContact O-N 2.92Å; P15-R22 PolarHBondContact O-NH2 3.21Å; P15-R51 WeakPolarHBondContact CA-O 3.42Å; P15-R51 WeakPolarHBondContact CB-O 3.42Å; P15-R51 WeakPolarHBondContact CG-O 3.32Å
16H85.6Confident88.7Confident140 Ų14064.7 Ų64.765%0.64834%0.341SS*.THydrogen-bonded Turntrans-79.6-14.1-175.659.4-89.1000114.3Q14 C18Q14-H16 VanDerWaalsContact C-N 3.26Å; Q14-H16 PolarHBondContact O-N 2.92Å; Q14-H16 VanDerWaalsContact O-N 3.11Å; H16-C18 PolarHBondContact O-N 3.45Å; H16-C18 VanDerWaalsContact O-N 3.16Å
17L88.1Confident88.7Confident70 Ų7066.5 Ų66.537%0.36634%0.339SS..SBendtrans-78.9104-176.8-67.5174000110.5L13 Q14 P15 R22L13-L17 HydrophobicContact CB-CB 4.43Å; L13-L17 HydrophobicContact CB-CD1 4.4Å; L13-L17 HydrophobicContact CD2-CD1 4.24Å; Q14-L17 HydrophobicContact CB-CD1 3.86Å; Q14-L17 HydrophobicContact CB-CG 4.1Å; Q14-L17 HydrophobicContact CG-CD1 4.36Å; Q14-L17 PolarHBondContact O-N 3.16Å; P15-L17 PolarHBondContact O-N 2.92Å; L17-R22 PolarHBondContact O-NE 2.97Å; L17-R22 PolarHBondContact O-NH2 3.02Å
18C87.7Confident88.7Confident83 Ų8370.1 Ų70.156%0.56136%0.361SS*.SBendtrans44.552.5171.1-570000114.8H16 N20 W21 R22H16-C18 PolarHBondContact O-N 3.45Å; H16-C18 VanDerWaalsContact O-N 3.16Å; C18-N20 PolarHBondContact O-N 3.39Å; C18-W21 HydrophobicContact CB-CB 4.06Å; C18-W21 HydrophobicContact CB-CE3 4.41Å; C18-W21 PolarHBondContact O-N 3.12Å; C18-R22 PolarHBondContact O-N 3.44Å; C18-R22 VanDerWaalsContact O-N 3.07Å
19P88.5Confident88.7Confident42 Ų4265.7 Ų65.727%0.27334%0.344SS..Hα-helixtrans-58-44.3-174.123.5-33.9000112.6W21 R22 K23 L52P19-W21 VanDerWaalsContact C-N 3.33Å; P19-W21 PolarHBondContact O-N 3.19Å; P19-R22 PolarHBondContact O-N 3.05Å; P19-K23 VanDerWaalsContact O-CG 3.32Å; P19-K23 WeakPolarHBondContact O-CG 3.44Å; P19-K23 PolarHBondContact O-N 2.88Å; P19-L52 HydrophobicContact CB-CD2 3.67Å
20N89.1Confident88.7Confident123 Ų12360.7 Ų60.766%0.65832%0.317SS*.Hα-helixtrans-64.8-36.3-179.7-66.3-18.6000112.9C18 C24C18-N20 PolarHBondContact O-N 3.39Å; N20-C24 VanDerWaalsContact O-CB 3.29Å; N20-C24 WeakPolarHBondContact O-CB 3.41Å; N20-C24 PolarHBondContact O-N 3.3Å
21W90.9Very high88.6Confident150 Ų15063 Ų6357%0.56834%0.335SS*.Hα-helixtrans-69.3-42.7177-179.174.8000111.3L10 C18 P19 C24 I25L10-W21 HydrophobicContact CD2-CE3 4.21Å; L10-W21 HydrophobicContact CD2-CH2 3.84Å; L10-W21 HydrophobicContact CD2-CZ3 3.3Å; C18-W21 HydrophobicContact CB-CB 4.06Å; C18-W21 HydrophobicContact CB-CE3 4.41Å; C18-W21 PolarHBondContact O-N 3.12Å; P19-W21 VanDerWaalsContact C-N 3.33Å; P19-W21 PolarHBondContact O-N 3.19Å; W21-C24 WeakPolarHBondContact O-CB 3.48Å; W21-C24 PolarHBondContact O-N 3.2Å; W21-I25 HydrophobicContact CD2-CD1 3.81Å; W21-I25 HydrophobicContact CE3-CD1 3.92Å; W21-I25 HydrophobicContact CH2-CD1 3.59Å; W21-I25 HydrophobicContact CZ2-CD1 3.46Å; W21-I25 VanDerWaalsContact CZ2-CD1 3.46Å; W21-I25 HydrophobicContact CZ3-CD1 3.82Å; W21-I25 WeakPolarHBondContact O-CG1 3.29Å; W21-I25 PolarHBondContact O-N 3.2Å
22R92Very high88.4Confident0 Ų065 Ų650%035%0.349CS..Hα-helixtrans-59.9-47173.7-69-173.2-76.8171.4-5.3111.6L10 L13 Q14 P15 L17 C18 P19 C24 I25 F26 L48L10-R22 HydrophobicContact CD2-CG 4.49Å; L10-R22 WeakPolarHBondContact O-CD 3.41Å; L13-R22 PolarHBondContact O-NH1 3.13Å; Q14-R22 PolarHBondContact O-NH2 2.82Å; P15-R22 PolarHBondContact O-NH2 3.21Å; L17-R22 PolarHBondContact O-NE 2.97Å; L17-R22 PolarHBondContact O-NH2 3.02Å; C18-R22 PolarHBondContact O-N 3.44Å; C18-R22 VanDerWaalsContact O-N 3.07Å; P19-R22 PolarHBondContact O-N 3.05Å; R22-C24 VanDerWaalsContact C-N 3.32Å; R22-C24 PolarHBondContact O-N 3.46Å; R22-I25 PolarHBondContact O-N 3.26Å; R22-F26 WeakPolarHBondContact O-CD2 3.31Å; R22-F26 PolarHBondContact O-N 3.02Å; R22-F26 VanDerWaalsContact O-N 3.09Å; R22-L48 HydrophobicContact CB-CD1 4.01Å
23K90.6Very high88Confident25 Ų2565.3 Ų65.311%0.10937%0.365CS..Hα-helixtrans-56.9-45.7174.5-71.7175.1179.8-173.40111.4P19 I25 F26 R27 L52 N56 D59 F63P19-K23 VanDerWaalsContact O-CG 3.32Å; P19-K23 WeakPolarHBondContact O-CG 3.44Å; P19-K23 PolarHBondContact O-N 2.88Å; K23-I25 PolarHBondContact O-N 3.11Å; K23-F26 PolarHBondContact O-N 3.48Å; K23-R27 VanDerWaalsContact O-CB 3.26Å; K23-R27 WeakPolarHBondContact O-CB 3.34Å; K23-R27 PolarHBondContact O-N 3.26Å; K23-L52 HydrophobicContact CD-CD1 4.5Å; K23-L52 HydrophobicContact CG-CD1 4.17Å; K23-N56 VanDerWaalsContact CE-OD1 3.31Å; K23-N56 WeakPolarHBondContact CE-OD1 3.29Å; K23-N56 PolarHBondContact NZ-OD1 2.95Å; K23-D59 WeakPolarHBondContact CD-OD1 3.45Å; K23-D59 IonicContact NZ-OD1 2.74Å; K23-D59 PolarHBondContact NZ-OD1 3.36Å; K23-D59 IonicContact NZ-OD2 2.91Å; K23-D59 PolarHBondContact NZ-OD2 3.38Å; K23-F63 HydrophobicContact CB-CZ 4.12Å; K23-F63 HydrophobicContact CG-CZ 4.44Å; K23-F63 WeakPolarHBondContact O-CZ 3.25Å
24C90.3Very high87.8Confident68 Ų6870.7 Ų70.746%0.45938%0.381SS..Hα-helixtrans-59.6-41.5177.6-173.80000112.8N20 W21 R22 T28N20-C24 VanDerWaalsContact O-CB 3.29Å; N20-C24 WeakPolarHBondContact O-CB 3.41Å; N20-C24 PolarHBondContact O-N 3.3Å; W21-C24 WeakPolarHBondContact O-CB 3.48Å; W21-C24 PolarHBondContact O-N 3.2Å; R22-C24 VanDerWaalsContact C-N 3.32Å; R22-C24 PolarHBondContact O-N 3.46Å; C24-T28 WeakPolarHBondContact O-CB 3.46Å; C24-T28 PolarHBondContact O-N 3.1Å; C24-T28 PolarHBondContact O-OG1 2.92Å
25I91.2Very high87.8Confident37 Ų3769.8 Ų69.819%0.1938%0.376CS..Hα-helixtrans-63.5-50.7176.5-68.3172.1000110.9L7 L10 W21 R22 K23 R27 T28 C29L7-I25 HydrophobicContact CD2-CG2 3.84Å; L10-I25 HydrophobicContact CD1-CB 4.49Å; L10-I25 HydrophobicContact CD1-CD1 3.64Å; L10-I25 HydrophobicContact CD1-CG2 3.95Å; L10-I25 HydrophobicContact CD2-CD1 4.37Å; W21-I25 HydrophobicContact CD2-CD1 3.81Å; W21-I25 HydrophobicContact CE3-CD1 3.92Å; W21-I25 HydrophobicContact CH2-CD1 3.59Å; W21-I25 HydrophobicContact CZ2-CD1 3.46Å; W21-I25 VanDerWaalsContact CZ2-CD1 3.46Å; W21-I25 HydrophobicContact CZ3-CD1 3.82Å; W21-I25 WeakPolarHBondContact O-CG1 3.29Å; W21-I25 PolarHBondContact O-N 3.2Å; R22-I25 PolarHBondContact O-N 3.26Å; K23-I25 PolarHBondContact O-N 3.11Å; I25-R27 VanDerWaalsContact C-N 3.34Å; I25-R27 PolarHBondContact O-N 2.76Å; I25-T28 PolarHBondContact O-N 3.23Å; I25-C29 PolarHBondContact O-N 2.89Å; I25-C29 PolarHBondContact O-SG 3.07Å; I25-C29 VanDerWaalsContact O-SG 3.35Å
26F92Very high88Confident0 Ų070.3 Ų70.30%038%0.381CS..Hα-helixtrans-62.7-42.1-179.8-86.5-104.8000111.7L7 L10 A11 R22 K23 T28 C29 L30 A41 H44 L45 L48 F63L7-F26 HydrophobicContact CB-CZ 4.25Å; L7-F26 HydrophobicContact CD2-CD2 4.17Å; L7-F26 HydrophobicContact CD2-CE2 3.96Å; L7-F26 HydrophobicContact CD2-CZ 4.15Å; L10-F26 HydrophobicContact CB-CE2 4.37Å; A11-F26 HydrophobicContact CB-CZ 4.03Å; R22-F26 WeakPolarHBondContact O-CD2 3.31Å; R22-F26 PolarHBondContact O-N 3.02Å; R22-F26 VanDerWaalsContact O-N 3.09Å; K23-F26 PolarHBondContact O-N 3.48Å; F26-T28 VanDerWaalsContact C-N 3.34Å; F26-T28 PolarHBondContact O-N 3Å; F26-C29 PolarHBondContact O-N 3.26Å; F26-L30 WeakPolarHBondContact O-CG 3.35Å; F26-L30 PolarHBondContact O-N 2.92Å; F26-A41 HydrophobicContact CD1-CB 4.21Å; F26-A41 WeakPolarHBondContact CE1-O 3.45Å; F26-H44 HydrophobicContact CE1-CB 4.06Å; F26-H44 HydrophobicContact CZ-CB 4.04Å; F26-L45 HydrophobicContact CD1-CD1 3.99Å; F26-L48 HydrophobicContact CB-CD2 4.16Å; F26-L48 HydrophobicContact CD1-CD2 4.2Å; F26-L48 HydrophobicContact CD2-CD2 3.78Å; F26-L48 HydrophobicContact CE2-CD2 4.19Å; F26-L48 HydrophobicContact CG-CD2 3.79Å; F26-L48 HydrophobicContact CZ-CB 4.38Å; F26-F63 HydrophobicContact CB-CE1 3.54Å; F26-F63 HydrophobicContact CB-CZ 4.2Å
27R89.9Confident88.1Confident104 Ų10465.5 Ų65.539%0.39236%0.36SS..Hα-helixtrans-54.5-49.5172.7176.7174.6-172.5157.67.3111.5K23 I25 C29 L30 S31 E62 F63 L66K23-R27 VanDerWaalsContact O-CB 3.26Å; K23-R27 WeakPolarHBondContact O-CB 3.34Å; K23-R27 PolarHBondContact O-N 3.26Å; I25-R27 VanDerWaalsContact C-N 3.34Å; I25-R27 PolarHBondContact O-N 2.76Å; R27-C29 VanDerWaalsContact C-N 3.33Å; R27-C29 PolarHBondContact O-N 3.3Å; R27-L30 PolarHBondContact O-N 2.86Å; R27-S31 PolarHBondContact O-N 3.4Å; R27-S31 PolarHBondContact O-OG 3.34Å; R27-E62 IonicContact CZ-OE1 3.93Å; R27-E62 IonicContact CZ-OE2 3.92Å; R27-E62 IonicContact NE-OE1 3.36Å; R27-E62 IonicContact NH1-OE1 3.03Å; R27-E62 PolarHBondContact NH1-OE1 3.36Å; R27-E62 IonicContact NH1-OE2 2.65Å; R27-E62 PolarHBondContact NH1-OE2 3Å; R27-E62 IonicContact NH2-OE1 3.66Å; R27-E62 PolarHBondContact NH2-OE1 2.96Å; R27-F63 HydrophobicContact CB-CZ 4.39Å; R27-L66 HydrophobicContact CB-CD1 4.39Å; R27-L66 HydrophobicContact CG-CD1 3.77Å
28T89.3Confident88.1Confident80 Ų8062.4 Ų62.449%0.49134%0.344SS..Hα-helixtrans-63.4-39178.9-54.50000111.6C24 I25 F26 S31 S32C24-T28 WeakPolarHBondContact O-CB 3.46Å; C24-T28 PolarHBondContact O-N 3.1Å; C24-T28 PolarHBondContact O-OG1 2.92Å; I25-T28 PolarHBondContact O-N 3.23Å; F26-T28 VanDerWaalsContact C-N 3.34Å; F26-T28 PolarHBondContact O-N 3Å; T28-S31 PolarHBondContact O-OG 3.19Å; T28-S32 VanDerWaalsContact O-CB 3.27Å; T28-S32 WeakPolarHBondContact O-CB 3.5Å; T28-S32 PolarHBondContact O-N 3.06Å
29C89.8Confident88.2Confident15 Ų1562 Ų6210%0.10133%0.333CS..Hα-helixtrans-65.6-41.8175.8-70.20000112.2I25 F26 R27 S32 L37 V38 A41I25-C29 PolarHBondContact O-N 2.89Å; I25-C29 PolarHBondContact O-SG 3.07Å; I25-C29 VanDerWaalsContact O-SG 3.35Å; F26-C29 PolarHBondContact O-N 3.26Å; R27-C29 VanDerWaalsContact C-N 3.33Å; R27-C29 PolarHBondContact O-N 3.3Å; C29-S32 WeakPolarHBondContact O-CB 3.34Å; C29-S32 PolarHBondContact O-N 3.2Å; C29-S32 PolarHBondContact O-OG 3.26Å; C29-L37 HydrophobicContact CB-CB 4.21Å; C29-V38 WeakPolarHBondContact O-CG2 3.45Å; C29-A41 HydrophobicContact CB-CB 3.78Å
30L88.2Confident88.2Confident5 Ų561 Ų613%0.02633%0.325CS..Hα-helixtrans-67.3-41.3177.7-70.7173.7000112.1F26 R27 S32 V38 A41 L42 F63 L66 L67F26-L30 WeakPolarHBondContact O-CG 3.35Å; F26-L30 PolarHBondContact O-N 2.92Å; R27-L30 PolarHBondContact O-N 2.86Å; L30-S32 VanDerWaalsContact C-N 3.3Å; L30-S32 PolarHBondContact O-N 2.96Å; L30-V38 HydrophobicContact CD2-CG1 4.29Å; L30-A41 HydrophobicContact CD2-CB 3.77Å; L30-A41 HydrophobicContact CG-CB 3.97Å; L30-L42 HydrophobicContact CD2-CD2 4.13Å; L30-L42 HydrophobicContact CD2-CG 4Å; L30-F63 HydrophobicContact CD1-CB 4.12Å; L30-F63 HydrophobicContact CD1-CD1 3.44Å; L30-F63 VanDerWaalsContact CD1-CD1 3.44Å; L30-F63 HydrophobicContact CD1-CE1 4.25Å; L30-F63 HydrophobicContact CD1-CG 4.08Å; L30-L66 HydrophobicContact CB-CD1 4.31Å; L30-L67 HydrophobicContact CD2-CD1 4.07Å; L30-L67 HydrophobicContact CD2-CD2 4.43Å; L30-L67 HydrophobicContact CD2-CG 4.47Å
31S86.4Confident88.3Confident73 Ų7355.2 Ų55.251%0.5129%0.294SS..Hα-helixtrans-81.6-4.3178.570.10000114.1R27 T28 G33R27-S31 PolarHBondContact O-N 3.4Å; R27-S31 PolarHBondContact O-OG 3.34Å; T28-S31 PolarHBondContact O-OG 3.19Å; S31-G33 PolarHBondContact O-N 3.4Å
32S84.6Confident88.3Confident43 Ų4348 Ų4830%0.30127%0.267SS..THydrogen-bonded Turntrans-69.1-17.3-173.468.70000114.9T28 C29 L30 R34 L37T28-S32 VanDerWaalsContact O-CB 3.27Å; T28-S32 WeakPolarHBondContact O-CB 3.5Å; T28-S32 PolarHBondContact O-N 3.06Å; C29-S32 WeakPolarHBondContact O-CB 3.34Å; C29-S32 PolarHBondContact O-N 3.2Å; C29-S32 PolarHBondContact O-OG 3.26Å; L30-S32 VanDerWaalsContact C-N 3.3Å; L30-S32 PolarHBondContact O-N 2.96Å; S32-R34 PolarHBondContact O-N 3.5Å; S32-R34 PolarHBondContact OG-N 2.91Å; S32-L37 WeakPolarHBondContact OG-CB 3.21Å
33G79.4Confident88.1Confident72 Ų7251.7 Ų51.774%0.74229%0.286SS*.  trans65.9-3.7-170.600000114.8S31 H35S31-G33 PolarHBondContact O-N 3.4Å; G33-H35 PolarHBondContact O-N 3.46Å
34R83.7Confident88.1Confident181 Ų18151 Ų5168%0.68328%0.283SS*.  trans-85.2112.1-179.5-63.6-174.5-177.3-176.30.6109.9S32 C36 L37 V38S32-R34 PolarHBondContact O-N 3.5Å; S32-R34 PolarHBondContact OG-N 2.91Å; R34-C36 VanDerWaalsContact C-N 3.27Å; R34-C36 PolarHBondContact O-N 2.86Å; R34-L37 HydrophobicContact CB-CB 4.22Å; R34-L37 HydrophobicContact CB-CD1 4.07Å; R34-L37 HydrophobicContact CB-CG 4Å; R34-L37 HydrophobicContact CG-CD1 4.42Å; R34-L37 PolarHBondContact O-N 3.32Å; R34-V38 PolarHBondContact O-N 2.92Å
35H83.9Confident88.1Confident93 Ų9347.8 Ų47.843%0.43126%0.261SS..Hα-helixtrans-42.7-47.6-178.7-178.1-77.5000114.2G33 L37 V38 K39 L76G33-H35 PolarHBondContact O-N 3.46Å; H35-L37 PolarHBondContact O-N 3.18Å; H35-V38 PolarHBondContact O-N 3.34Å; H35-K39 VanDerWaalsContact O-CB 3.24Å; H35-K39 WeakPolarHBondContact O-CB 3.37Å; H35-K39 PolarHBondContact O-N 3.07Å; H35-L76 WeakPolarHBondContact CD2-CD1 3.27Å; H35-L76 WeakPolarHBondContact NE2-CD1 3.29Å
36C86.1Confident88.1Confident72 Ų7246.1 Ų46.149%0.48625%0.253SS..Hα-helixtrans-64.3-38.9179.4-174.30000113.1R34 N40R34-C36 VanDerWaalsContact C-N 3.27Å; R34-C36 PolarHBondContact O-N 2.86Å; C36-N40 WeakPolarHBondContact O-CB 3.45Å; C36-N40 PolarHBondContact O-N 3.32Å; C36-N40 PolarHBondContact O-ND2 3.33Å
37L88.2Confident87.9Confident39 Ų3948 Ų4820%0.20426%0.262CS..Hα-helixtrans-70.9-45.2177.9-63.4-174.6000110.8V3 C29 S32 R34 H35 N40 A41V3-L37 HydrophobicContact CB-CD2 4.46Å; V3-L37 HydrophobicContact CG1-CD2 3.53Å; V3-L37 HydrophobicContact CG2-CD2 4.07Å; C29-L37 HydrophobicContact CB-CB 4.21Å; S32-L37 WeakPolarHBondContact OG-CB 3.21Å; R34-L37 HydrophobicContact CB-CB 4.22Å; R34-L37 HydrophobicContact CB-CD1 4.07Å; R34-L37 HydrophobicContact CB-CG 4Å; R34-L37 HydrophobicContact CG-CD1 4.42Å; R34-L37 PolarHBondContact O-N 3.32Å; H35-L37 PolarHBondContact O-N 3.18Å; L37-N40 PolarHBondContact O-N 3.33Å; L37-A41 VanDerWaalsContact O-CB 3.29Å; L37-A41 WeakPolarHBondContact O-CB 3.44Å; L37-A41 PolarHBondContact O-N 3.37Å
38V88.7Confident87.9Confident6 Ų643 Ų434%0.03624%0.243CC..Hα-helixtrans-63.4-49.1-179.7-178.50000111.1C29 L30 R34 H35 N40 A41 L42 L67 L76C29-V38 WeakPolarHBondContact O-CG2 3.45Å; L30-V38 HydrophobicContact CD2-CG1 4.29Å; R34-V38 PolarHBondContact O-N 2.92Å; H35-V38 PolarHBondContact O-N 3.34Å; V38-N40 VanDerWaalsContact C-N 3.35Å; V38-N40 PolarHBondContact O-N 3.15Å; V38-A41 PolarHBondContact O-N 3.12Å; V38-L42 HydrophobicContact CG1-CD1 4.07Å; V38-L42 HydrophobicContact CG1-CG 4.48Å; V38-L42 WeakPolarHBondContact O-CG 3.3Å; V38-L42 PolarHBondContact O-N 2.79Å; V38-L67 HydrophobicContact CG1-CD2 3.7Å; V38-L76 HydrophobicContact CB-CD2 3.88Å; V38-L76 HydrophobicContact CG1-CD2 3.41Å; V38-L76 VanDerWaalsContact CG1-CD2 3.41Å
39K89.1Confident87.9Confident74 Ų7439.2 Ų39.232%0.32222%0.22SC..Hα-helixtrans-55.4-48.3177.1177.9171.7179.8167.60111.9H35 L43 L76 I79H35-K39 VanDerWaalsContact O-CB 3.24Å; H35-K39 WeakPolarHBondContact O-CB 3.37Å; H35-K39 PolarHBondContact O-N 3.07Å; K39-L43 HydrophobicContact CG-CD1 4.06Å; K39-L43 WeakPolarHBondContact O-CB 3.34Å; K39-L43 VanDerWaalsContact O-CG 3.24Å; K39-L43 WeakPolarHBondContact O-CG 3.43Å; K39-L43 PolarHBondContact O-N 3.1Å; K39-L76 HydrophobicContact CB-CD1 4.31Å; K39-I79 HydrophobicContact CD-CD1 4.11Å; K39-I79 HydrophobicContact CG-CD1 3.95Å
40N89.4Confident87.7Confident22 Ų2241.8 Ų41.812%0.11823%0.228CC..Hα-helixtrans-72.5-32.4-179.2-73.4-70000112.5V3 S4 L7 C36 L37 V38 H44V3-N40 HydrophobicContact CG1-CB 4.39Å; S4-N40 WeakPolarHBondContact CB-OD1 3.29Å; S4-N40 PolarHBondContact OG-OD1 3.39Å; L7-N40 HydrophobicContact CD1-CB 3.82Å; C36-N40 WeakPolarHBondContact O-CB 3.45Å; C36-N40 PolarHBondContact O-N 3.32Å; C36-N40 PolarHBondContact O-ND2 3.33Å; L37-N40 PolarHBondContact O-N 3.33Å; V38-N40 VanDerWaalsContact C-N 3.35Å; V38-N40 PolarHBondContact O-N 3.15Å; N40-H44 PolarHBondContact O-CD2 3.15Å; N40-H44 PolarHBondContact O-N 2.95Å
41A90.7Very high87.6Confident0 Ų044 Ų440%024%0.236CC..Hα-helixtrans-63.3-48.9172.700000110.9L7 F26 C29 L30 L37 V38 L43 H44 L45L7-A41 HydrophobicContact CD1-CB 4.41Å; F26-A41 HydrophobicContact CD1-CB 4.21Å; F26-A41 WeakPolarHBondContact CE1-O 3.45Å; C29-A41 HydrophobicContact CB-CB 3.78Å; L30-A41 HydrophobicContact CD2-CB 3.77Å; L30-A41 HydrophobicContact CG-CB 3.97Å; L37-A41 VanDerWaalsContact O-CB 3.29Å; L37-A41 WeakPolarHBondContact O-CB 3.44Å; L37-A41 PolarHBondContact O-N 3.37Å; V38-A41 PolarHBondContact O-N 3.12Å; A41-L43 PolarHBondContact O-N 3.39Å; A41-H44 PolarHBondContact O-N 2.92Å; A41-L45 VanDerWaalsContact O-CB 3.3Å; A41-L45 WeakPolarHBondContact O-CB 3.27Å; A41-L45 PolarHBondContact O-N 2.95Å
42L89.9Confident87.6Confident0 Ų041.7 Ų41.70%022%0.218CC..Hα-helixtrans-58.8-43.6176.7-77172.7000113L30 V38 H44 L45 P46 L67 L76 I79 A80 S83 Y84L30-L42 HydrophobicContact CD2-CD2 4.13Å; L30-L42 HydrophobicContact CD2-CG 4Å; V38-L42 HydrophobicContact CG1-CD1 4.07Å; V38-L42 HydrophobicContact CG1-CG 4.48Å; V38-L42 WeakPolarHBondContact O-CG 3.3Å; V38-L42 PolarHBondContact O-N 2.79Å; L42-H44 VanDerWaalsContact C-N 3.28Å; L42-H44 PolarHBondContact O-N 3.45Å; L42-L45 PolarHBondContact O-N 3.23Å; L42-P46 WeakPolarHBondContact O-CD 3.37Å; L42-L67 HydrophobicContact CD1-CD1 4.3Å; L42-L67 HydrophobicContact CD2-CD1 3.57Å; L42-L67 HydrophobicContact CG-CD1 4.24Å; L42-L76 HydrophobicContact CD1-CD2 4.45Å; L42-I79 HydrophobicContact CB-CG2 3.82Å; L42-I79 HydrophobicContact CD1-CG2 4.29Å; L42-A80 HydrophobicContact CD1-CB 3.9Å; L42-A80 HydrophobicContact CD2-CB 4.32Å; L42-S83 WeakPolarHBondContact O-CB 3.36Å; L42-S83 PolarHBondContact O-OG 2.65Å; L42-Y84 HydrophobicContact CD2-CE1 4.26Å
43L89.4Confident87.4Confident76 Ų7640.5 Ų40.540%0.39821%0.213SC..Hα-helixtrans-64.3-29.4-179.3-75.1171.4000113.8K39 A41 I79K39-L43 HydrophobicContact CG-CD1 4.06Å; K39-L43 WeakPolarHBondContact O-CB 3.34Å; K39-L43 VanDerWaalsContact O-CG 3.24Å; K39-L43 WeakPolarHBondContact O-CG 3.43Å; K39-L43 PolarHBondContact O-N 3.1Å; A41-L43 PolarHBondContact O-N 3.39Å; L43-I79 HydrophobicContact CD2-CG2 3.99Å; L43-I79 HydrophobicContact CG-CG2 4.1Å
44H90.5Very high87.4Confident10 Ų1041.5 Ų41.55%0.04621%0.206CC..Hα-helixtrans-107.4-0.5-178.7-59.2-63.1000113.1S4 A11 F26 N40 A41 L42 M47 L48S4-H44 PolarHBondContact O-NE2 2.93Å; S4-H44 PolarHBondContact OG-NE2 3.44Å; S4-H44 VanDerWaalsContact OG-NE2 3.07Å; A11-H44 HydrophobicContact CB-CB 4.32Å; F26-H44 HydrophobicContact CE1-CB 4.06Å; F26-H44 HydrophobicContact CZ-CB 4.04Å; N40-H44 PolarHBondContact O-CD2 3.15Å; N40-H44 PolarHBondContact O-N 2.95Å; A41-H44 PolarHBondContact O-N 2.92Å; L42-H44 VanDerWaalsContact C-N 3.28Å; L42-H44 PolarHBondContact O-N 3.45Å; H44-M47 PolarHBondContact O-N 3.2Å; H44-L48 PolarHBondContact O-N 3.26Å
45L90.9Very high87.3Confident1 Ų135.5 Ų35.51%0.00520%0.201CC..Hα-helixtrans-63-43.5-179.3-173.863.8000113.2F26 A41 L42 M47 L48 F49 F63F26-L45 HydrophobicContact CD1-CD1 3.99Å; A41-L45 VanDerWaalsContact O-CB 3.3Å; A41-L45 WeakPolarHBondContact O-CB 3.27Å; A41-L45 PolarHBondContact O-N 2.95Å; L42-L45 PolarHBondContact O-N 3.23Å; L45-M47 VanDerWaalsContact C-N 3.25Å; L45-M47 PolarHBondContact O-N 3.13Å; L45-L48 HydrophobicContact CD1-CD2 4.24Å; L45-L48 WeakPolarHBondContact O-CB 3.45Å; L45-L48 PolarHBondContact O-N 2.93Å; L45-L48 VanDerWaalsContact O-N 3.11Å; L45-F49 HydrophobicContact CD1-CD2 4.02Å; L45-F49 HydrophobicContact CD1-CE2 3.57Å; L45-F49 HydrophobicContact CD1-CZ 4.48Å; L45-F49 HydrophobicContact CD2-CE2 4.24Å; L45-F49 HydrophobicContact CG-CD2 3.95Å; L45-F49 HydrophobicContact CG-CE2 3.76Å; L45-F49 PolarHBondContact O-N 2.6Å; L45-F49 VanDerWaalsContact O-N 3.12Å; L45-F63 HydrophobicContact CD1-CD1 3.49Å; L45-F63 VanDerWaalsContact CD1-CD1 3.49Å; L45-F63 HydrophobicContact CD1-CE1 3.67Å; L45-F63 HydrophobicContact CD2-CD1 4.31Å
46P89.9Confident87.3Confident3 Ų332.1 Ų32.12%0.01919%0.186CC..Hα-helixtrans-64-33.5178.3-2031.8000112.2L42 F49 Y50 D86 F104L42-P46 WeakPolarHBondContact O-CD 3.37Å; P46-F49 PolarHBondContact O-N 3.14Å; P46-Y50 WeakPolarHBondContact O-CB 3.41Å; P46-Y50 PolarHBondContact O-N 3.3Å; P46-D86 HydrophobicContact CB-CB 3.68Å; P46-D86 HydrophobicContact CG-CB 3.6Å; P46-F104 HydrophobicContact CB-CD2 3.96Å; P46-F104 HydrophobicContact CB-CE2 3.52Å; P46-F104 HydrophobicContact CB-CZ 4.07Å; P46-F104 HydrophobicContact CG-CE2 4.42Å
47M87.7Confident87.2Confident38 Ų3830.5 Ų30.519%0.18717%0.171CC..Hα-helixtrans-66.3-36.9175-174.559.768.800112.2A11 V12 H44 L45 Y50 R51 E97 F104A11-M47 HydrophobicContact CB-CB 4Å; A11-M47 HydrophobicContact CB-CG 3.9Å; V12-M47 HydrophobicContact CG2-CG 4.03Å; H44-M47 PolarHBondContact O-N 3.2Å; L45-M47 VanDerWaalsContact C-N 3.25Å; L45-M47 PolarHBondContact O-N 3.13Å; M47-Y50 PolarHBondContact O-N 3.18Å; M47-Y50 HydrophobicContact SD-CD1 4.36Å; M47-R51 PolarHBondContact O-N 3.3Å; M47-R51 VanDerWaalsContact O-N 3.13Å; M47-E97 WeakPolarHBondContact CE-OE1 3.49Å; M47-F104 HydrophobicContact CB-CZ 4.14Å; M47-F104 HydrophobicContact CE-CE1 4.22Å; M47-F104 HydrophobicContact CE-CZ 3.75Å; M47-F104 HydrophobicContact SD-CZ 4.32Å
48L89.9Confident87Confident0 Ų032.2 Ų32.20%019%0.191CC..Hα-helixtrans-60.9-51.1172.9177.268.5000110.4A11 R22 F26 H44 L45 Y50 R51 L52 F63A11-L48 HydrophobicContact CB-CB 4.32Å; R22-L48 HydrophobicContact CB-CD1 4.01Å; F26-L48 HydrophobicContact CB-CD2 4.16Å; F26-L48 HydrophobicContact CD1-CD2 4.2Å; F26-L48 HydrophobicContact CD2-CD2 3.78Å; F26-L48 HydrophobicContact CE2-CD2 4.19Å; F26-L48 HydrophobicContact CG-CD2 3.79Å; F26-L48 HydrophobicContact CZ-CB 4.38Å; H44-L48 PolarHBondContact O-N 3.26Å; L45-L48 HydrophobicContact CD1-CD2 4.24Å; L45-L48 WeakPolarHBondContact O-CB 3.45Å; L45-L48 PolarHBondContact O-N 2.93Å; L45-L48 VanDerWaalsContact O-N 3.11Å; L48-Y50 VanDerWaalsContact C-N 3.3Å; L48-Y50 PolarHBondContact O-N 3.42Å; L48-R51 PolarHBondContact O-N 3.37Å; L48-L52 HydrophobicContact CD1-CD1 4.08Å; L48-L52 HydrophobicContact CD1-CG 4.3Å; L48-L52 HydrophobicContact CD2-CD1 4.47Å; L48-L52 HydrophobicContact CG-CD1 3.87Å; L48-L52 HydrophobicContact CG-CG 4.42Å; L48-L52 VanDerWaalsContact O-CG 3.26Å; L48-L52 WeakPolarHBondContact O-CG 3.3Å; L48-L52 PolarHBondContact O-N 2.89Å; L48-F63 HydrophobicContact CD2-CE1 4.45Å
49F88.9Confident86.8Confident1 Ų133.7 Ų33.70%0.00420%0.198CC..Hα-helixtrans-65.6-32.7179.1-76.9-64.6000113L45 P46 R51 L52 G53 N56 D59 F60 C87 V90 L91L45-F49 HydrophobicContact CD1-CD2 4.02Å; L45-F49 HydrophobicContact CD1-CE2 3.57Å; L45-F49 HydrophobicContact CD1-CZ 4.48Å; L45-F49 HydrophobicContact CD2-CE2 4.24Å; L45-F49 HydrophobicContact CG-CD2 3.95Å; L45-F49 HydrophobicContact CG-CE2 3.76Å; L45-F49 PolarHBondContact O-N 2.6Å; L45-F49 VanDerWaalsContact O-N 3.12Å; P46-F49 PolarHBondContact O-N 3.14Å; F49-R51 PolarHBondContact O-N 2.99Å; F49-L52 HydrophobicContact CD1-CD1 4.44Å; F49-L52 PolarHBondContact O-N 3.47Å; F49-G53 PolarHBondContact O-N 3.34Å; F49-N56 HydrophobicContact CD1-CB 3.91Å; F49-N56 HydrophobicContact CE1-CB 3.91Å; F49-N56 WeakPolarHBondContact CE1-O 3.42Å; F49-D59 HydrophobicContact CE1-CB 4.03Å; F49-D59 HydrophobicContact CZ-CB 4.3Å; F49-F60 HydrophobicContact CD2-CD2 4.35Å; F49-F60 HydrophobicContact CE1-CB 4.01Å; F49-F60 HydrophobicContact CE2-CB 4Å; F49-F60 AromaticContact CE2-CD2 3.8Å; F49-F60 HydrophobicContact CE2-CD2 3.8Å; F49-F60 HydrophobicContact CE2-CG 4.37Å; F49-F60 VanDerWaalsContact CZ-CA 3.46Å; F49-F60 HydrophobicContact CZ-CB 3.65Å; F49-F60 HydrophobicContact CZ-CD2 4.29Å; F49-F60 HydrophobicContact CZ-CG 4.48Å; F49-C87 HydrophobicContact CD2-CB 4.41Å; F49-V90 HydrophobicContact CB-CG1 4.12Å; F49-L91 HydrophobicContact CB-CD2 4.22Å; F49-L91 HydrophobicContact CB-CG 4.38Å; F49-L91 HydrophobicContact CD1-CD2 3.88Å; F49-L91 HydrophobicContact CD1-CG 4.49Å; F49-L91 HydrophobicContact CG-CD2 4.29Å
50Y86.8Confident86.8Confident68 Ų6830.1 Ų30.127%0.26718%0.183SC..Hα-helixtrans-62.5-43.3176-177-103.9000111.6P46 M47 L48 V90 E97 F104P46-Y50 WeakPolarHBondContact O-CB 3.41Å; P46-Y50 PolarHBondContact O-N 3.3Å; M47-Y50 PolarHBondContact O-N 3.18Å; M47-Y50 HydrophobicContact SD-CD1 4.36Å; L48-Y50 VanDerWaalsContact C-N 3.3Å; L48-Y50 PolarHBondContact O-N 3.42Å; Y50-V90 HydrophobicContact CD2-CG1 4.08Å; Y50-V90 HydrophobicContact CD2-CG2 4.34Å; Y50-V90 HydrophobicContact CG-CG1 4.37Å; Y50-E97 HydrophobicContact CE1-CB 3.97Å; Y50-E97 HydrophobicContact CE1-CG 4.42Å; Y50-E97 WeakPolarHBondContact CE1-OE2 3.32Å; Y50-F104 HydrophobicContact CD1-CE1 4.47Å; Y50-F104 HydrophobicContact CD2-CE1 4.2Å; Y50-F104 AromaticContact CG-CE1 3.94Å; Y50-F104 HydrophobicContact CG-CE1 3.94Å
51R86.1Confident86.6Confident53 Ų5329.5 Ų29.520%0.218%0.18CC..Hα-helixtrans-75-29.9175.9-66-63.9178.1-158.9-12.2113.3A11 P15 M47 L48 F49 G53 E97A11-R51 VanDerWaalsContact O-CG 3.3Å; A11-R51 WeakPolarHBondContact O-CG 3.48Å; P15-R51 WeakPolarHBondContact CA-O 3.42Å; P15-R51 WeakPolarHBondContact CB-O 3.42Å; P15-R51 WeakPolarHBondContact CG-O 3.32Å; M47-R51 PolarHBondContact O-N 3.3Å; M47-R51 VanDerWaalsContact O-N 3.13Å; L48-R51 PolarHBondContact O-N 3.37Å; F49-R51 PolarHBondContact O-N 2.99Å; R51-G53 VanDerWaalsContact C-N 3.31Å; R51-E97 IonicContact CZ-OE2 2.56Å; R51-E97 IonicContact NH1-OE2 2.73Å; R51-E97 VanDerWaalsContact NH2-CD 3.35Å; R51-E97 IonicContact NH2-OE1 3.16Å; R51-E97 PolarHBondContact NH2-OE1 3.28Å; R51-E97 VanDerWaalsContact NH2-OE1 3.1Å; R51-E97 IonicContact NH2-OE2 2.63Å; R51-E97 PolarHBondContact NH2-OE2 3.09Å
52L86.3Confident86.4Confident23 Ų2332.7 Ų32.712%0.1220%0.195CC..Hα-helixtrans-73.8-26.6175.2-69174.8000112.3P19 K23 L48 F49 N56P19-L52 HydrophobicContact CB-CD2 3.67Å; K23-L52 HydrophobicContact CD-CD1 4.5Å; K23-L52 HydrophobicContact CG-CD1 4.17Å; L48-L52 HydrophobicContact CD1-CD1 4.08Å; L48-L52 HydrophobicContact CD1-CG 4.3Å; L48-L52 HydrophobicContact CD2-CD1 4.47Å; L48-L52 HydrophobicContact CG-CD1 3.87Å; L48-L52 HydrophobicContact CG-CG 4.42Å; L48-L52 VanDerWaalsContact O-CG 3.26Å; L48-L52 WeakPolarHBondContact O-CG 3.3Å; L48-L52 PolarHBondContact O-N 2.89Å; F49-L52 HydrophobicContact CD1-CD1 4.44Å; F49-L52 PolarHBondContact O-N 3.47Å; L52-N56 WeakPolarHBondContact CB-ND2 3.35Å; L52-N56 PolarHBondContact O-ND2 2.97Å
53G81.1Confident86.2Confident19 Ų1932.8 Ų32.820%0.19620%0.196CC..  trans78177.6178.200000114.4F49 R51 N56F49-G53 PolarHBondContact O-N 3.34Å; R51-G53 VanDerWaalsContact C-N 3.31Å; G53-N56 PolarHBondContact O-ND2 2.91Å
54P78.7Confident85.9Confident92 Ų9229.8 Ų29.860%0.59718%0.182SC*.THydrogen-bonded Turntrans-57.2143.8175-20.331.9000111.7
55G80.9Confident85.5Confident56 Ų5633.6 Ų33.658%0.57721%0.209SC*.THydrogen-bonded Turntrans107.9-0.1-174.800000115.6E57G55-E57 WeakPolarHBondContact CA-OE2 3.43Å; G55-E57 PolarHBondContact N-OE1 3.41Å; G55-E57 PolarHBondContact N-OE2 3.35Å
56N84Confident85.1Confident22 Ų2235.9 Ų35.912%0.11822%0.221CC..  trans-10825.7178.1-61.9-92.5000112.3K23 F49 L52 G53 A58 D59 F60 L91K23-N56 VanDerWaalsContact CE-OD1 3.31Å; K23-N56 WeakPolarHBondContact CE-OD1 3.29Å; K23-N56 PolarHBondContact NZ-OD1 2.95Å; F49-N56 HydrophobicContact CD1-CB 3.91Å; F49-N56 HydrophobicContact CE1-CB 3.91Å; F49-N56 WeakPolarHBondContact CE1-O 3.42Å; L52-N56 WeakPolarHBondContact CB-ND2 3.35Å; L52-N56 PolarHBondContact O-ND2 2.97Å; G53-N56 PolarHBondContact O-ND2 2.91Å; N56-A58 VanDerWaalsContact C-N 3.33Å; N56-A58 PolarHBondContact O-N 3.14Å; N56-D59 HydrophobicContact CB-CB 4.49Å; N56-D59 WeakPolarHBondContact O-CB 3.4Å; N56-D59 PolarHBondContact O-N 3.42Å; N56-D59 PolarHBondContact OD1-OD2 2.87Å; N56-F60 PolarHBondContact O-N 3.31Å; N56-L91 HydrophobicContact CB-CD2 4.31Å
57E83.4Confident84.6Confident38 Ų3836.5 Ų36.518%0.17822%0.224CC..Hα-helixtrans-66.6-34.7-177.1-56.375.3-166.900112.1G55 F60 S61 Y121G55-E57 WeakPolarHBondContact CA-OE2 3.43Å; G55-E57 PolarHBondContact N-OE1 3.41Å; G55-E57 PolarHBondContact N-OE2 3.35Å; E57-F60 PolarHBondContact O-N 2.98Å; E57-S61 PolarHBondContact O-N 2.87Å; E57-S61 PolarHBondContact O-OG 2.88Å; E57-Y121 HydrophobicContact CB-CD2 4.18Å; E57-Y121 HydrophobicContact CB-CE2 4.29Å; E57-Y121 HydrophobicContact CG-CD2 3.36Å; E57-Y121 HydrophobicContact CG-CE2 3.63Å; E57-Y121 HydrophobicContact CG-CG 4.08Å
58A84.6Confident84.1Confident75 Ų7544.5 Ų44.562%0.6225%0.252SS*.Hα-helixtrans-65.3-40.4174.500000111.4N56 S61 E62N56-A58 VanDerWaalsContact C-N 3.33Å; N56-A58 PolarHBondContact O-N 3.14Å; A58-S61 PolarHBondContact O-N 3.38Å; A58-E62 PolarHBondContact O-N 3.11Å
59D85.4Confident83.1Confident36 Ų3644.9 Ų44.919%0.19325%0.254CS..Hα-helixtrans-65.3-41.4174-57.3-86.9000110.7K23 F49 N56 S61 E62 F63K23-D59 WeakPolarHBondContact CD-OD1 3.45Å; K23-D59 IonicContact NZ-OD1 2.74Å; K23-D59 PolarHBondContact NZ-OD1 3.36Å; K23-D59 IonicContact NZ-OD2 2.91Å; K23-D59 PolarHBondContact NZ-OD2 3.38Å; F49-D59 HydrophobicContact CE1-CB 4.03Å; F49-D59 HydrophobicContact CZ-CB 4.3Å; N56-D59 HydrophobicContact CB-CB 4.49Å; N56-D59 WeakPolarHBondContact O-CB 3.4Å; N56-D59 PolarHBondContact O-N 3.42Å; N56-D59 PolarHBondContact OD1-OD2 2.87Å; D59-S61 VanDerWaalsContact C-N 3.33Å; D59-S61 PolarHBondContact O-N 3.29Å; D59-E62 PolarHBondContact O-N 3.38Å; D59-F63 HydrophobicContact CB-CE2 4.45Å; D59-F63 WeakPolarHBondContact O-CD2 3.49Å; D59-F63 PolarHBondContact O-N 2.85Å
60F87.8Confident82Confident0 Ų048.2 Ų48.20%029%0.288CS..Hα-helixtrans-61.7-42.1175.6175.5-115.6000112.4F49 N56 E57 E62 F63 A64 Y84 C87 I88 L91 L125F49-F60 HydrophobicContact CD2-CD2 4.35Å; F49-F60 HydrophobicContact CE1-CB 4.01Å; F49-F60 HydrophobicContact CE2-CB 4Å; F49-F60 AromaticContact CE2-CD2 3.8Å; F49-F60 HydrophobicContact CE2-CD2 3.8Å; F49-F60 HydrophobicContact CE2-CG 4.37Å; F49-F60 VanDerWaalsContact CZ-CA 3.46Å; F49-F60 HydrophobicContact CZ-CB 3.65Å; F49-F60 HydrophobicContact CZ-CD2 4.29Å; F49-F60 HydrophobicContact CZ-CG 4.48Å; N56-F60 PolarHBondContact O-N 3.31Å; E57-F60 PolarHBondContact O-N 2.98Å; F60-E62 VanDerWaalsContact C-N 3.32Å; F60-E62 PolarHBondContact O-N 2.98Å; F60-F63 PolarHBondContact O-N 3.4Å; F60-A64 WeakPolarHBondContact O-CB 3.4Å; F60-A64 PolarHBondContact O-N 3.1Å; F60-Y84 AromaticContact CE2-CD1 3.96Å; F60-Y84 HydrophobicContact CE2-CD1 3.96Å; F60-Y84 HydrophobicContact CE2-CE1 4.49Å; F60-Y84 HydrophobicContact CE2-CG 4.35Å; F60-Y84 HydrophobicContact CZ-CD1 4.15Å; F60-Y84 HydrophobicContact CZ-CG 4.07Å; F60-C87 HydrophobicContact CD2-CB 3.67Å; F60-C87 HydrophobicContact CE1-CB 4.5Å; F60-C87 HydrophobicContact CE2-CB 3.29Å; F60-C87 HydrophobicContact CG-CB 4.43Å; F60-C87 HydrophobicContact CZ-CB 3.77Å; F60-I88 HydrophobicContact CE1-CD1 4.49Å; F60-I88 HydrophobicContact CE1-CG1 3.76Å; F60-I88 HydrophobicContact CZ-CG1 4.09Å; F60-L91 HydrophobicContact CB-CD1 3.57Å; F60-L91 HydrophobicContact CD1-CD1 3.95Å; F60-L91 HydrophobicContact CG-CD1 3.79Å; F60-L125 HydrophobicContact CE1-CD1 3.83Å; F60-L125 HydrophobicContact CZ-CD1 4.18Å
61S85.4Confident81.2Confident9 Ų949.4 Ų49.46%0.06331%0.307CS..Hα-helixtrans-59.8-43.8174.7-58.50000111.5E57 A58 D59 A64 S65 C123 T124E57-S61 PolarHBondContact O-N 2.87Å; E57-S61 PolarHBondContact O-OG 2.88Å; A58-S61 PolarHBondContact O-N 3.38Å; D59-S61 VanDerWaalsContact C-N 3.33Å; D59-S61 PolarHBondContact O-N 3.29Å; S61-A64 PolarHBondContact O-N 3.04Å; S61-S65 PolarHBondContact O-N 2.89Å; S61-S65 VanDerWaalsContact O-N 3.07Å; S61-C123 PolarHBondContact OG-SG 2.82Å; S61-T124 WeakPolarHBondContact CB-O 3.25Å; S61-T124 VanDerWaalsContact CB-OG1 3.31Å; S61-T124 WeakPolarHBondContact CB-OG1 3.35Å; S61-T124 PolarHBondContact OG-N 3.12Å; S61-T124 VanDerWaalsContact OG-N 3.15Å; S61-T124 PolarHBondContact OG-OG1 2.97Å
62E85.9Confident80.7Confident67 Ų6748.4 Ų48.431%0.31331%0.305SS..Hα-helixtrans-61.4-46.8175-176.6175.3-146.700111.1R27 A58 D59 F60 A64 S65 L66R27-E62 IonicContact CZ-OE1 3.93Å; R27-E62 IonicContact CZ-OE2 3.92Å; R27-E62 IonicContact NE-OE1 3.36Å; R27-E62 IonicContact NH1-OE1 3.03Å; R27-E62 PolarHBondContact NH1-OE1 3.36Å; R27-E62 IonicContact NH1-OE2 2.65Å; R27-E62 PolarHBondContact NH1-OE2 3Å; R27-E62 IonicContact NH2-OE1 3.66Å; R27-E62 PolarHBondContact NH2-OE1 2.96Å; A58-E62 PolarHBondContact O-N 3.11Å; D59-E62 PolarHBondContact O-N 3.38Å; F60-E62 VanDerWaalsContact C-N 3.32Å; F60-E62 PolarHBondContact O-N 2.98Å; E62-A64 VanDerWaalsContact C-N 3.31Å; E62-A64 PolarHBondContact O-N 3.24Å; E62-S65 WeakPolarHBondContact O-CB 3.41Å; E62-S65 PolarHBondContact O-N 3.4Å; E62-S65 VanDerWaalsContact O-N 3.16Å; E62-S65 PolarHBondContact O-OG 2.84Å; E62-L66 WeakPolarHBondContact O-CG 3.33Å; E62-L66 PolarHBondContact O-N 2.77Å
63F85.7Confident80.5Confident2 Ų251.5 Ų51.51%0.00932%0.322CS..Hα-helixtrans-63.9-38.4-180-80.9-132.1000112K23 F26 R27 L30 L45 L48 D59 F60 S65 L66K23-F63 HydrophobicContact CB-CZ 4.12Å; K23-F63 HydrophobicContact CG-CZ 4.44Å; K23-F63 WeakPolarHBondContact O-CZ 3.25Å; F26-F63 HydrophobicContact CB-CE1 3.54Å; F26-F63 HydrophobicContact CB-CZ 4.2Å; R27-F63 HydrophobicContact CB-CZ 4.39Å; L30-F63 HydrophobicContact CD1-CB 4.12Å; L30-F63 HydrophobicContact CD1-CD1 3.44Å; L30-F63 VanDerWaalsContact CD1-CD1 3.44Å; L30-F63 HydrophobicContact CD1-CE1 4.25Å; L30-F63 HydrophobicContact CD1-CG 4.08Å; L45-F63 HydrophobicContact CD1-CD1 3.49Å; L45-F63 VanDerWaalsContact CD1-CD1 3.49Å; L45-F63 HydrophobicContact CD1-CE1 3.67Å; L45-F63 HydrophobicContact CD2-CD1 4.31Å; L48-F63 HydrophobicContact CD2-CE1 4.45Å; D59-F63 HydrophobicContact CB-CE2 4.45Å; D59-F63 WeakPolarHBondContact O-CD2 3.49Å; D59-F63 PolarHBondContact O-N 2.85Å; F60-F63 PolarHBondContact O-N 3.4Å; F63-S65 VanDerWaalsContact C-N 3.29Å; F63-S65 PolarHBondContact O-N 3.5Å; F63-L66 WeakPolarHBondContact O-CB 3.4Å; F63-L66 PolarHBondContact O-N 2.75Å
64A83.4Confident80.5Confident12 Ų1253 Ų5310%0.09933%0.327CS..Hα-helixtrans-63.6-37.2176.100000111.8F60 S61 E62 L66 L67 Y84 L125F60-A64 WeakPolarHBondContact O-CB 3.4Å; F60-A64 PolarHBondContact O-N 3.1Å; S61-A64 PolarHBondContact O-N 3.04Å; E62-A64 VanDerWaalsContact C-N 3.31Å; E62-A64 PolarHBondContact O-N 3.24Å; A64-L66 PolarHBondContact O-N 2.8Å; A64-L67 PolarHBondContact O-N 3.07Å; A64-Y84 WeakPolarHBondContact CA-OH 3.17Å; A64-Y84 HydrophobicContact CB-CE2 4.06Å; A64-Y84 PolarHBondContact O-OH 3.43Å; A64-L125 HydrophobicContact CB-CD1 3.52Å
65S83.4Confident80.8Confident90 Ų9053 Ų5363%0.62932%0.322SS*.Hα-helixtrans-67.2-19.9178.278.80000114.5S61 E62 F63 L67S61-S65 PolarHBondContact O-N 2.89Å; S61-S65 VanDerWaalsContact O-N 3.07Å; E62-S65 WeakPolarHBondContact O-CB 3.41Å; E62-S65 PolarHBondContact O-N 3.4Å; E62-S65 VanDerWaalsContact O-N 3.16Å; E62-S65 PolarHBondContact O-OG 2.84Å; F63-S65 VanDerWaalsContact C-N 3.29Å; F63-S65 PolarHBondContact O-N 3.5Å; S65-L67 VanDerWaalsContact C-N 3.3Å; S65-L67 PolarHBondContact O-N 3.1Å
66L82.7Confident81Confident49 Ų4950.5 Ų50.526%0.25730%0.296SS..THydrogen-bonded Turntrans-74.6-20.6179.9-61.6170.3000112.9R27 L30 E62 F63 A64R27-L66 HydrophobicContact CB-CD1 4.39Å; R27-L66 HydrophobicContact CG-CD1 3.77Å; L30-L66 HydrophobicContact CB-CD1 4.31Å; E62-L66 WeakPolarHBondContact O-CG 3.33Å; E62-L66 PolarHBondContact O-N 2.77Å; F63-L66 WeakPolarHBondContact O-CB 3.4Å; F63-L66 PolarHBondContact O-N 2.75Å; A64-L66 PolarHBondContact O-N 2.8Å
67L79.6Confident81.1Confident16 Ų1649.5 Ų49.58%0.08429%0.29CS..  trans-98.9117.3-176.4-73.1165.8000110.8L30 V38 L42 A64 S65 L72 Y84L30-L67 HydrophobicContact CD2-CD1 4.07Å; L30-L67 HydrophobicContact CD2-CD2 4.43Å; L30-L67 HydrophobicContact CD2-CG 4.47Å; V38-L67 HydrophobicContact CG1-CD2 3.7Å; L42-L67 HydrophobicContact CD1-CD1 4.3Å; L42-L67 HydrophobicContact CD2-CD1 3.57Å; L42-L67 HydrophobicContact CG-CD1 4.24Å; A64-L67 PolarHBondContact O-N 3.07Å; S65-L67 VanDerWaalsContact C-N 3.3Å; S65-L67 PolarHBondContact O-N 3.1Å; L67-L72 HydrophobicContact CD2-CD1 4.35Å; L67-L72 HydrophobicContact CD2-CD2 4.28Å; L67-Y84 HydrophobicContact CD1-CE1 4.14Å; L67-Y84 WeakPolarHBondContact CD1-OH 3.3Å
68R75.4Confident81.2Confident206 Ų20650.3 Ų50.378%0.77729%0.293SS*.  trans-9299.9169.7-67.1-172.6-177.7-169.60.8109.7G70 S71R68-G70 VanDerWaalsContact C-N 3.27Å; R68-G70 PolarHBondContact O-N 3.16Å; R68-S71 PolarHBondContact O-N 3.45Å; R68-S71 PolarHBondContact O-OG 3.15Å
69F69.2Low81.3Confident9 Ų948.2 Ų48.24%0.03927%0.271CS..G310 helixtrans-51.6-41.4-176.6-83.3-98000113.8S71 L72 V77 A80 L81 Y84 I130 V134F69-S71 PolarHBondContact O-N 3.32Å; F69-L72 HydrophobicContact CD1-CD1 4.48Å; F69-L72 WeakPolarHBondContact O-CB 3.5Å; F69-L72 PolarHBondContact O-N 3.47Å; F69-L72 VanDerWaalsContact O-N 3.08Å; F69-V77 HydrophobicContact CD1-CG1 4.06Å; F69-V77 HydrophobicContact CD1-CG2 4.28Å; F69-V77 HydrophobicContact CE1-CG1 4.38Å; F69-A80 HydrophobicContact CE1-CB 3.73Å; F69-A80 HydrophobicContact CZ-CB 3.79Å; F69-L81 HydrophobicContact CE1-CD2 4.26Å; F69-L81 HydrophobicContact CE1-CG 4.29Å; F69-Y84 HydrophobicContact CE2-CD2 4.46Å; F69-Y84 AromaticContact CE2-CE2 3.57Å; F69-Y84 HydrophobicContact CE2-CE2 3.57Å; F69-Y84 HydrophobicContact CZ-CD2 4.06Å; F69-Y84 AromaticContact CZ-CE2 3.52Å; F69-Y84 HydrophobicContact CZ-CE2 3.52Å; F69-I130 HydrophobicContact CD2-CG1 4.21Å; F69-I130 HydrophobicContact CE1-CG2 4.41Å; F69-I130 HydrophobicContact CE2-CD1 4.46Å; F69-I130 HydrophobicContact CE2-CG1 3.93Å; F69-I130 HydrophobicContact CE2-CG2 4.28Å; F69-I130 HydrophobicContact CZ-CG2 4.16Å; F69-V134 HydrophobicContact CD1-CG2 4.01Å; F69-V134 HydrophobicContact CE1-CG2 4.48Å
70G65.5Low81.5Confident70 Ų7046.5 Ų46.572%0.72226%0.262SS*.G310 helixtrans-64.6-10178.700000115.9R68R68-G70 VanDerWaalsContact C-N 3.27Å; R68-G70 PolarHBondContact O-N 3.16Å
71S70Confident81.5Confident93 Ų9346.5 Ų46.565%0.6526%0.262SS*.G310 helixtrans-104.2-1.6176.164.80000113.9R68 F69R68-S71 PolarHBondContact O-N 3.45Å; R68-S71 PolarHBondContact O-OG 3.15Å; F69-S71 PolarHBondContact O-N 3.32Å
72L77Confident81.6Confident33 Ų3349 Ų4917%0.17327%0.274CS..SBendtrans-89.9147.8-176.9-64.1174.9000110.7L67 F69 L76 V77L67-L72 HydrophobicContact CD2-CD1 4.35Å; L67-L72 HydrophobicContact CD2-CD2 4.28Å; F69-L72 HydrophobicContact CD1-CD1 4.48Å; F69-L72 WeakPolarHBondContact O-CB 3.5Å; F69-L72 PolarHBondContact O-N 3.47Å; F69-L72 VanDerWaalsContact O-N 3.08Å; L72-L76 HydrophobicContact CB-CB 4.07Å; L72-L76 HydrophobicContact CD2-CB 4.27Å; L72-L76 HydrophobicContact CD2-CD2 3.66Å; L72-V77 HydrophobicContact CB-CG2 3.84Å
73D81.6Confident81.8Confident87 Ų8746 Ų4647%0.46526%0.261SS..  trans-61.5149.3163.8-168.1-15.4000109.9D75 L76 V77D73-D75 PolarHBondContact O-N 3.27Å; D73-L76 CarbonylContact O-C 3.35Å; D73-L76 WeakPolarHBondContact O-CA 2.99Å; D73-L76 WeakPolarHBondContact O-CB 3.41Å; D73-L76 PolarHBondContact O-N 3.28Å; D73-V77 PolarHBondContact O-N 2.64Å
74V81.6Confident82Confident50 Ų5045.9 Ų45.930%0.30326%0.261SS..Hα-helixtrans-50.2-43177.2176.10000111.2L76 V77 K78 I137 S139V74-L76 VanDerWaalsContact C-N 3.31Å; V74-L76 PolarHBondContact O-N 3.1Å; V74-V77 PolarHBondContact O-N 2.85Å; V74-K78 WeakPolarHBondContact O-CG 3.36Å; V74-K78 PolarHBondContact O-N 2.76Å; V74-K78 VanDerWaalsContact O-N 3.1Å; V74-I137 HydrophobicContact CB-CG2 4.44Å; V74-I137 HydrophobicContact CG1-CG2 3.93Å; V74-I137 HydrophobicContact CG2-CG2 3.94Å; V74-S139 WeakPolarHBondContact CG1-OG 3.34Å
75D83.9Confident82.2Confident92 Ų9246 Ų4649%0.49226%0.26SS..Hα-helixtrans-62.7-37.8177-84.7-5.3000112.2D73 I79D73-D75 PolarHBondContact O-N 3.27Å; D75-I79 WeakPolarHBondContact O-CD1 3.44Å; D75-I79 WeakPolarHBondContact O-CG1 3.41Å; D75-I79 PolarHBondContact O-N 2.94Å
76L85.6Confident82.5Confident5 Ų544 Ų443%0.02624%0.242CC..Hα-helixtrans-71.4-35.6175.1-107.190.5000112.2H35 V38 K39 L42 L72 D73 V74 I79 A80H35-L76 WeakPolarHBondContact CD2-CD1 3.27Å; H35-L76 WeakPolarHBondContact NE2-CD1 3.29Å; V38-L76 HydrophobicContact CB-CD2 3.88Å; V38-L76 HydrophobicContact CG1-CD2 3.41Å; V38-L76 VanDerWaalsContact CG1-CD2 3.41Å; K39-L76 HydrophobicContact CB-CD1 4.31Å; L42-L76 HydrophobicContact CD1-CD2 4.45Å; L72-L76 HydrophobicContact CB-CB 4.07Å; L72-L76 HydrophobicContact CD2-CB 4.27Å; L72-L76 HydrophobicContact CD2-CD2 3.66Å; D73-L76 CarbonylContact O-C 3.35Å; D73-L76 WeakPolarHBondContact O-CA 2.99Å; D73-L76 WeakPolarHBondContact O-CB 3.41Å; D73-L76 PolarHBondContact O-N 3.28Å; V74-L76 VanDerWaalsContact C-N 3.31Å; V74-L76 PolarHBondContact O-N 3.1Å; L76-I79 PolarHBondContact O-N 3.2Å; L76-A80 VanDerWaalsContact O-CB 3.25Å; L76-A80 WeakPolarHBondContact O-CB 3.44Å; L76-A80 PolarHBondContact O-N 3.39Å
77V85.9Confident82.8Confident0 Ų041.7 Ų41.70%023%0.23CC..Hα-helixtrans-60.2-47.2176.2171.50000110.5F69 L72 D73 V74 I79 A80 L81 V134 I137F69-V77 HydrophobicContact CD1-CG1 4.06Å; F69-V77 HydrophobicContact CD1-CG2 4.28Å; F69-V77 HydrophobicContact CE1-CG1 4.38Å; L72-V77 HydrophobicContact CB-CG2 3.84Å; D73-V77 PolarHBondContact O-N 2.64Å; V74-V77 PolarHBondContact O-N 2.85Å; V77-I79 PolarHBondContact O-N 3.02Å; V77-A80 PolarHBondContact O-N 3.38Å; V77-L81 HydrophobicContact CG1-CD1 4.2Å; V77-L81 WeakPolarHBondContact O-CG 3.34Å; V77-L81 PolarHBondContact O-N 2.87Å; V77-V134 HydrophobicContact CG1-CG2 3.91Å; V77-I137 HydrophobicContact CG1-CD1 4.35Å; V77-I137 HydrophobicContact CG2-CD1 3.96Å
78K86.7Confident83.2Confident55 Ų5540.9 Ų40.924%0.23923%0.226CC..Hα-helixtrans-59.8-45.4176.1-64.7178.8-177.1-170.60111.9V74 A80 L81 N82 S139V74-K78 WeakPolarHBondContact O-CG 3.36Å; V74-K78 PolarHBondContact O-N 2.76Å; V74-K78 VanDerWaalsContact O-N 3.1Å; K78-A80 VanDerWaalsContact C-N 3.32Å; K78-A80 PolarHBondContact O-N 3.41Å; K78-L81 PolarHBondContact O-N 2.82Å; K78-N82 PolarHBondContact O-N 3.28Å; K78-N82 VanDerWaalsContact O-N 3.1Å; K78-N82 PolarHBondContact O-ND2 3.41Å; K78-N82 VanDerWaalsContact O-ND2 3.12Å; K78-S139 WeakPolarHBondContact CE-O 3.39Å; K78-S139 PolarHBondContact NZ-O 3.48Å; K78-S139 VanDerWaalsContact NZ-O 3.12Å
79I86.9Confident83.7Confident31 Ų3131.4 Ų31.416%0.15919%0.191CC..Hα-helixtrans-64.4-38.5177.6-67.6169000110.9K39 L42 L43 D75 L76 V77 S83K39-I79 HydrophobicContact CD-CD1 4.11Å; K39-I79 HydrophobicContact CG-CD1 3.95Å; L42-I79 HydrophobicContact CB-CG2 3.82Å; L42-I79 HydrophobicContact CD1-CG2 4.29Å; L43-I79 HydrophobicContact CD2-CG2 3.99Å; L43-I79 HydrophobicContact CG-CG2 4.1Å; D75-I79 WeakPolarHBondContact O-CD1 3.44Å; D75-I79 WeakPolarHBondContact O-CG1 3.41Å; D75-I79 PolarHBondContact O-N 2.94Å; L76-I79 PolarHBondContact O-N 3.2Å; V77-I79 PolarHBondContact O-N 3.02Å; I79-S83 WeakPolarHBondContact O-CB 3.45Å; I79-S83 PolarHBondContact O-N 3.26Å
80A88.2Confident84.6Confident0 Ų031.3 Ų31.30%019%0.191CC..Hα-helixtrans-66.8-46178.200000111.9L42 F69 L76 V77 K78 N82 S83 Y84L42-A80 HydrophobicContact CD1-CB 3.9Å; L42-A80 HydrophobicContact CD2-CB 4.32Å; F69-A80 HydrophobicContact CE1-CB 3.73Å; F69-A80 HydrophobicContact CZ-CB 3.79Å; L76-A80 VanDerWaalsContact O-CB 3.25Å; L76-A80 WeakPolarHBondContact O-CB 3.44Å; L76-A80 PolarHBondContact O-N 3.39Å; V77-A80 PolarHBondContact O-N 3.38Å; K78-A80 VanDerWaalsContact C-N 3.32Å; K78-A80 PolarHBondContact O-N 3.41Å; A80-N82 PolarHBondContact O-N 3.02Å; A80-S83 PolarHBondContact O-N 3.49Å; A80-Y84 WeakPolarHBondContact O-CB 3.42Å; A80-Y84 WeakPolarHBondContact O-CD1 3.42Å; A80-Y84 VanDerWaalsContact O-CG 3.3Å; A80-Y84 PolarHBondContact O-N 3.28Å
81L87.9Confident85.5Confident0 Ų028.1 Ų28.10%016%0.158CC..Hα-helixtrans-61.2-45.3177.1-72.1173000112.1F69 V77 K78 Y84 T85 I130 V134 H143 L144 F147F69-L81 HydrophobicContact CE1-CD2 4.26Å; F69-L81 HydrophobicContact CE1-CG 4.29Å; V77-L81 HydrophobicContact CG1-CD1 4.2Å; V77-L81 WeakPolarHBondContact O-CG 3.34Å; V77-L81 PolarHBondContact O-N 2.87Å; K78-L81 PolarHBondContact O-N 2.82Å; L81-Y84 PolarHBondContact O-N 3.22Å; L81-T85 WeakPolarHBondContact O-CB 3.35Å; L81-T85 PolarHBondContact O-N 2.87Å; L81-T85 PolarHBondContact O-OG1 3.33Å; L81-I130 HydrophobicContact CD2-CG2 3.93Å; L81-V134 HydrophobicContact CD1-CG1 3.92Å; L81-V134 HydrophobicContact CD1-CG2 4.18Å; L81-V134 HydrophobicContact CD2-CG2 4.37Å; L81-H143 HydrophobicContact CB-CB 3.97Å; L81-H143 HydrophobicContact CD1-CB 3.86Å; L81-L144 HydrophobicContact CD1-CD2 4.25Å; L81-L144 HydrophobicContact CD2-CD2 4.19Å; L81-F147 HydrophobicContact CD2-CD1 4.34Å; L81-F147 HydrophobicContact CD2-CG 4.33Å
82N88.2Confident86.2Confident61 Ų6124.4 Ų24.433%0.32613%0.132SC..Hα-helixtrans-63.9-45.3175.3-69.8-34.8000111.3K78 A80 Y84 T85 D86 H143K78-N82 PolarHBondContact O-N 3.28Å; K78-N82 VanDerWaalsContact O-N 3.1Å; K78-N82 PolarHBondContact O-ND2 3.41Å; K78-N82 VanDerWaalsContact O-ND2 3.12Å; A80-N82 PolarHBondContact O-N 3.02Å; N82-Y84 VanDerWaalsContact C-N 3.31Å; N82-Y84 PolarHBondContact O-N 3.27Å; N82-T85 PolarHBondContact O-N 3.46Å; N82-D86 WeakPolarHBondContact O-CB 3.34Å; N82-D86 PolarHBondContact O-N 3.42Å; N82-H143 PolarHBondContact ND2-CE1 3.25Å; N82-H143 PolarHBondContact ND2-ND1 2.94Å; N82-H143 PolarHBondContact OD1-ND1 3.02Å
83S88.9Confident86.3Confident4 Ų425.1 Ų25.13%0.02815%0.147CC..Hα-helixtrans-58.5-42.5176.7-176.20000111.7L42 I79 A80 D86 C87L42-S83 WeakPolarHBondContact O-CB 3.36Å; L42-S83 PolarHBondContact O-OG 2.65Å; I79-S83 WeakPolarHBondContact O-CB 3.45Å; I79-S83 PolarHBondContact O-N 3.26Å; A80-S83 PolarHBondContact O-N 3.49Å; S83-D86 PolarHBondContact O-N 3.26Å; S83-C87 WeakPolarHBondContact O-CB 3.29Å; S83-C87 PolarHBondContact O-N 3.45Å; S83-C87 PolarHBondContact O-SG 3.05Å
84Y90.6Very high86Confident1 Ų123.7 Ų23.70%0.00414%0.137CC..Hα-helixtrans-69.4-42.5178.2-73.18000111.7L42 F60 A64 L67 F69 A80 L81 N82 D86 C87 I88 I130 F147L42-Y84 HydrophobicContact CD2-CE1 4.26Å; F60-Y84 AromaticContact CE2-CD1 3.96Å; F60-Y84 HydrophobicContact CE2-CD1 3.96Å; F60-Y84 HydrophobicContact CE2-CE1 4.49Å; F60-Y84 HydrophobicContact CE2-CG 4.35Å; F60-Y84 HydrophobicContact CZ-CD1 4.15Å; F60-Y84 HydrophobicContact CZ-CG 4.07Å; A64-Y84 WeakPolarHBondContact CA-OH 3.17Å; A64-Y84 HydrophobicContact CB-CE2 4.06Å; A64-Y84 PolarHBondContact O-OH 3.43Å; L67-Y84 HydrophobicContact CD1-CE1 4.14Å; L67-Y84 WeakPolarHBondContact CD1-OH 3.3Å; F69-Y84 HydrophobicContact CE2-CD2 4.46Å; F69-Y84 AromaticContact CE2-CE2 3.57Å; F69-Y84 HydrophobicContact CE2-CE2 3.57Å; F69-Y84 HydrophobicContact CZ-CD2 4.06Å; F69-Y84 AromaticContact CZ-CE2 3.52Å; F69-Y84 HydrophobicContact CZ-CE2 3.52Å; A80-Y84 WeakPolarHBondContact O-CB 3.42Å; A80-Y84 WeakPolarHBondContact O-CD1 3.42Å; A80-Y84 VanDerWaalsContact O-CG 3.3Å; A80-Y84 PolarHBondContact O-N 3.28Å; L81-Y84 PolarHBondContact O-N 3.22Å; N82-Y84 VanDerWaalsContact C-N 3.31Å; N82-Y84 PolarHBondContact O-N 3.27Å; Y84-D86 VanDerWaalsContact C-N 3.31Å; Y84-D86 PolarHBondContact O-N 2.9Å; Y84-C87 PolarHBondContact O-N 3.06Å; Y84-I88 WeakPolarHBondContact O-CB 3.46Å; Y84-I88 WeakPolarHBondContact O-CD1 3.49Å; Y84-I88 WeakPolarHBondContact O-CG1 3.25Å; Y84-I88 PolarHBondContact O-N 3.38Å; Y84-I130 HydrophobicContact CD2-CD1 4.23Å; Y84-I130 HydrophobicContact CE2-CD1 4.07Å; Y84-F147 HydrophobicContact CD2-CE2 4.44Å
85T88.5Confident85.9Confident14 Ų1421.8 Ų21.89%0.08613%0.126CC..Hα-helixtrans-56.1-48174.3-56.10000110.6L81 N82 I88 C89 P146 F147 A150L81-T85 WeakPolarHBondContact O-CB 3.35Å; L81-T85 PolarHBondContact O-N 2.87Å; L81-T85 PolarHBondContact O-OG1 3.33Å; N82-T85 PolarHBondContact O-N 3.46Å; T85-I88 PolarHBondContact O-N 2.9Å; T85-C89 PolarHBondContact O-N 3.49Å; T85-C89 PolarHBondContact O-SG 3.44Å; T85-P146 HydrophobicContact CG2-CB 4.35Å; T85-F147 VanDerWaalsContact OG1-CA 3.29Å; T85-F147 WeakPolarHBondContact OG1-CA 3.4Å; T85-F147 WeakPolarHBondContact OG1-CB 3.46Å; T85-A150 HydrophobicContact CG2-CB 3.89Å
86D88.2Confident85.4Confident48 Ų4820.8 Ų20.826%0.25712%0.121SC..Hα-helixtrans-64.7-44.4177.7-71.1-17.3000111.7P46 N82 S83 Y84 I88 C89 V90 F104P46-D86 HydrophobicContact CB-CB 3.68Å; P46-D86 HydrophobicContact CG-CB 3.6Å; N82-D86 WeakPolarHBondContact O-CB 3.34Å; N82-D86 PolarHBondContact O-N 3.42Å; S83-D86 PolarHBondContact O-N 3.26Å; Y84-D86 VanDerWaalsContact C-N 3.31Å; Y84-D86 PolarHBondContact O-N 2.9Å; D86-I88 VanDerWaalsContact C-N 3.34Å; D86-I88 PolarHBondContact O-N 3.44Å; D86-C89 PolarHBondContact O-N 3.24Å; D86-V90 VanDerWaalsContact O-CB 3.25Å; D86-V90 WeakPolarHBondContact O-CB 3.29Å; D86-V90 WeakPolarHBondContact O-CG2 3.24Å; D86-V90 PolarHBondContact O-N 3.26Å; D86-F104 HydrophobicContact CB-CD2 4.18Å
87C88.8Confident84.3Confident0 Ų023.2 Ų23.20%013%0.132CC..Hα-helixtrans-60.5-43.2176.3-70.40000111.6F49 F60 S83 Y84 C89 V90 L91F49-C87 HydrophobicContact CD2-CB 4.41Å; F60-C87 HydrophobicContact CD2-CB 3.67Å; F60-C87 HydrophobicContact CE1-CB 4.5Å; F60-C87 HydrophobicContact CE2-CB 3.29Å; F60-C87 HydrophobicContact CG-CB 4.43Å; F60-C87 HydrophobicContact CZ-CB 3.77Å; S83-C87 WeakPolarHBondContact O-CB 3.29Å; S83-C87 PolarHBondContact O-N 3.45Å; S83-C87 PolarHBondContact O-SG 3.05Å; Y84-C87 PolarHBondContact O-N 3.06Å; C87-C89 VanDerWaalsContact C-N 3.33Å; C87-C89 PolarHBondContact O-N 2.98Å; C87-V90 PolarHBondContact O-N 3.28Å; C87-L91 WeakPolarHBondContact O-CB 3.29Å; C87-L91 WeakPolarHBondContact O-CG 3.5Å; C87-L91 PolarHBondContact O-N 3.38Å
88I88.2Confident82.8Confident0 Ų025.2 Ų25.20%015%0.146CC..Hα-helixtrans-61.2-46179.1-70.8163.3000110.2F60 Y84 T85 D86 S92 Y121 F147 A150 L151 H154 I155F60-I88 HydrophobicContact CE1-CD1 4.49Å; F60-I88 HydrophobicContact CE1-CG1 3.76Å; F60-I88 HydrophobicContact CZ-CG1 4.09Å; Y84-I88 WeakPolarHBondContact O-CB 3.46Å; Y84-I88 WeakPolarHBondContact O-CD1 3.49Å; Y84-I88 WeakPolarHBondContact O-CG1 3.25Å; Y84-I88 PolarHBondContact O-N 3.38Å; T85-I88 PolarHBondContact O-N 2.9Å; D86-I88 VanDerWaalsContact C-N 3.34Å; D86-I88 PolarHBondContact O-N 3.44Å; I88-S92 PolarHBondContact O-N 3.23Å; I88-Y121 WeakPolarHBondContact CA-OH 3.3Å; I88-Y121 PolarHBondContact O-OH 2.59Å; I88-F147 HydrophobicContact CD1-CD2 4.09Å; I88-F147 HydrophobicContact CD1-CE2 3.72Å; I88-A150 HydrophobicContact CB-CB 4.31Å; I88-A150 HydrophobicContact CG2-CB 3.93Å; I88-A150 WeakPolarHBondContact CG2-O 3.21Å; I88-L151 HydrophobicContact CD1-CD2 3.76Å; I88-L151 HydrophobicContact CD1-CG 4.31Å; I88-H154 HydrophobicContact CG2-CB 3.8Å; I88-I155 HydrophobicContact CD1-CD1 4.16Å; I88-I155 HydrophobicContact CG1-CD1 4.1Å; I88-I155 HydrophobicContact CG2-CD1 4.18Å; I88-I155 HydrophobicContact CG2-CG1 4.05Å
89C87.3Confident80.7Confident7 Ų732.8 Ų32.85%0.04717%0.174CC..Hα-helixtrans-63.4-46.9176.6-69.10000111.6T85 D86 C87 S92 V95 C106T85-C89 PolarHBondContact O-N 3.49Å; T85-C89 PolarHBondContact O-SG 3.44Å; D86-C89 PolarHBondContact O-N 3.24Å; C87-C89 VanDerWaalsContact C-N 3.33Å; C87-C89 PolarHBondContact O-N 2.98Å; C89-S92 WeakPolarHBondContact O-CB 3.13Å; C89-S92 PolarHBondContact O-N 3.32Å; C89-S92 PolarHBondContact O-OG 3.4Å; C89-V95 VanDerWaalsContact C-CG2 3.4Å; C89-V95 HydrophobicContact CB-CG2 3.71Å; C89-V95 VanDerWaalsContact O-CG2 3.32Å; C89-V95 WeakPolarHBondContact O-CG2 3.29Å; C89-C106 HydrophobicContact CB-CB 3.81Å
90V86.9Confident78.8Confident6 Ų635.3 Ų35.34%0.03621%0.208CC..Hα-helixtrans-61.6-46.2-178160.10000111.8F49 Y50 D86 C87 S92 G93 V95 F104F49-V90 HydrophobicContact CB-CG1 4.12Å; Y50-V90 HydrophobicContact CD2-CG1 4.08Å; Y50-V90 HydrophobicContact CD2-CG2 4.34Å; Y50-V90 HydrophobicContact CG-CG1 4.37Å; D86-V90 VanDerWaalsContact O-CB 3.25Å; D86-V90 WeakPolarHBondContact O-CB 3.29Å; D86-V90 WeakPolarHBondContact O-CG2 3.24Å; D86-V90 PolarHBondContact O-N 3.26Å; C87-V90 PolarHBondContact O-N 3.28Å; V90-S92 PolarHBondContact O-N 3.48Å; V90-G93 PolarHBondContact O-N 2.76Å; V90-V95 HydrophobicContact CG2-CB 4.37Å; V90-V95 HydrophobicContact CG2-CG1 4.15Å; V90-V95 HydrophobicContact CG2-CG2 4.23Å; V90-F104 HydrophobicContact CG2-CB 4.45Å; V90-F104 HydrophobicContact CG2-CD1 3.64Å; V90-F104 HydrophobicContact CG2-CD2 4.49Å; V90-F104 HydrophobicContact CG2-CE1 3.94Å; V90-F104 HydrophobicContact CG2-CG 3.93Å
91L85.7Confident76.9Confident3 Ų341.7 Ų41.72%0.01624%0.238CC..Hα-helixtrans-65-23.3179.4-74.2168.3000112.9F49 N56 F60 C87 G93 Y121F49-L91 HydrophobicContact CB-CD2 4.22Å; F49-L91 HydrophobicContact CB-CG 4.38Å; F49-L91 HydrophobicContact CD1-CD2 3.88Å; F49-L91 HydrophobicContact CD1-CG 4.49Å; F49-L91 HydrophobicContact CG-CD2 4.29Å; N56-L91 HydrophobicContact CB-CD2 4.31Å; F60-L91 HydrophobicContact CB-CD1 3.57Å; F60-L91 HydrophobicContact CD1-CD1 3.95Å; F60-L91 HydrophobicContact CG-CD1 3.79Å; C87-L91 WeakPolarHBondContact O-CB 3.29Å; C87-L91 WeakPolarHBondContact O-CG 3.5Å; C87-L91 PolarHBondContact O-N 3.38Å; L91-G93 PolarHBondContact O-N 3.33Å; L91-Y121 HydrophobicContact CB-CE1 4.11Å; L91-Y121 HydrophobicContact CB-CE2 4.37Å
92S83.2Confident75.2Confident16 Ų1649.3 Ų49.311%0.11227%0.271CS..THydrogen-bonded Turntrans-68.2-13.6173.181.30000113.8I88 C89 V90 Q94 H154I88-S92 PolarHBondContact O-N 3.23Å; C89-S92 WeakPolarHBondContact O-CB 3.13Å; C89-S92 PolarHBondContact O-N 3.32Å; C89-S92 PolarHBondContact O-OG 3.4Å; V90-S92 PolarHBondContact O-N 3.48Å; S92-Q94 PolarHBondContact O-N 2.9Å; S92-Q94 WeakPolarHBondContact OG-CB 3.06Å; S92-Q94 WeakPolarHBondContact OG-CG 3.48Å; S92-Q94 PolarHBondContact OG-N 3.22Å; S92-H154 WeakPolarHBondContact CB-ND1 3.21Å; S92-H154 PolarHBondContact OG-CE1 3.01Å; S92-H154 VanDerWaalsContact OG-CE1 3.25Å; S92-H154 PolarHBondContact OG-ND1 2.78Å
93G79.7Confident74.1Confident47 Ų4752.7 Ų52.749%0.48528%0.283SS..THydrogen-bonded Turntrans71.59.1-174.100000114.5V90 L91V90-G93 PolarHBondContact O-N 2.76Å; L91-G93 PolarHBondContact O-N 3.33Å
94Q75.8Confident73.3Confident57 Ų5754.2 Ų54.227%0.26629%0.289SS..  trans-98.422.1-175.8-57.4-62.8-41.100113.9S92 R107 K108S92-Q94 PolarHBondContact O-N 2.9Å; S92-Q94 WeakPolarHBondContact OG-CB 3.06Å; S92-Q94 WeakPolarHBondContact OG-CG 3.48Å; S92-Q94 PolarHBondContact OG-N 3.22Å; Q94-R107 PolarHBondContact O-N 3.39Å; Q94-K108 HydrophobicContact CB-CG 4.39Å; Q94-K108 HydrophobicContact CG-CD 4.12Å; Q94-K108 HydrophobicContact CG-CG 4.25Å
95V78.7Confident72.6Confident10 Ų1058.8 Ų58.86%0.06131%0.307CS..EExtended strand (participates in β ladder)trans-115.3132.9-171.91730000111.4C89 V90 F104 Y105 C106C89-V95 VanDerWaalsContact C-CG2 3.4Å; C89-V95 HydrophobicContact CB-CG2 3.71Å; C89-V95 VanDerWaalsContact O-CG2 3.32Å; C89-V95 WeakPolarHBondContact O-CG2 3.29Å; V90-V95 HydrophobicContact CG2-CB 4.37Å; V90-V95 HydrophobicContact CG2-CG1 4.15Å; V90-V95 HydrophobicContact CG2-CG2 4.23Å; V95-F104 HydrophobicContact CG1-CB 3.68Å; V95-F104 HydrophobicContact CG1-CD1 3.65Å; V95-F104 HydrophobicContact CG1-CG 4.12Å; V95-Y105 WeakPolarHBondContact CA-O 3.49Å; V95-C106 HydrophobicContact CG2-CB 4.07Å
96D73.7Confident72.1Confident72 Ų7258.5 Ų58.539%0.38531%0.305SS..EExtended strand (participates in β ladder)trans-97.5138.9170.8-68.2-43.3000111.3Y105 R107D96-Y105 PolarHBondContact N-O 3.27Å; D96-Y105 VanDerWaalsContact N-O 3.13Å; D96-R107 VanDerWaalsContact CG-NH2 3.3Å; D96-R107 IonicContact OD1-CZ 2.78Å; D96-R107 IonicContact OD1-NE 3.59Å; D96-R107 IonicContact OD1-NH2 3.54Å; D96-R107 PolarHBondContact OD1-NH2 3.31Å; D96-R107 IonicContact OD2-CZ 3.39Å; D96-R107 IonicContact OD2-NE 2.85Å; D96-R107 PolarHBondContact OD2-NE 2.91Å; D96-R107 IonicContact OD2-NH2 3.66Å; D96-R107 PolarHBondContact OD2-NH2 3.47Å; D96-R107 VanDerWaalsContact OD2-NH2 3.1Å
97E62.4Low71.5Confident56 Ų5663.2 Ų63.226%0.26232%0.32SS..EExtended strand (participates in β ladder)trans-89.9119.8174.6-174.2176.9-155.200110.1M47 Y50 R51M47-E97 WeakPolarHBondContact CE-OE1 3.49Å; Y50-E97 HydrophobicContact CE1-CB 3.97Å; Y50-E97 HydrophobicContact CE1-CG 4.42Å; Y50-E97 WeakPolarHBondContact CE1-OE2 3.32Å; R51-E97 IonicContact CZ-OE2 2.56Å; R51-E97 IonicContact NH1-OE2 2.73Å; R51-E97 VanDerWaalsContact NH2-CD 3.35Å; R51-E97 IonicContact NH2-OE1 3.16Å; R51-E97 PolarHBondContact NH2-OE1 3.28Å; R51-E97 VanDerWaalsContact NH2-OE1 3.1Å; R51-E97 IonicContact NH2-OE2 2.63Å; R51-E97 PolarHBondContact NH2-OE2 3.09Å
98S54.7Low70.6Confident42 Ų4264.4 Ų64.429%0.29433%0.325SS..  trans-90.2115.2165.658.90000109.9G100S98-G100 PolarHBondContact O-N 3.38Å
99Y41.5Very low70Confident213 Ų21365.5 Ų65.584%0.83533%0.332SS*.THydrogen-bonded Turntrans-59.9117.8174.7-90.8-90.4000111
100G48.4Very low69.1Low85 Ų8569.8 Ų69.888%0.87635%0.354SS*.THydrogen-bonded Turntrans118.9-31.1166.100000116S98S98-G100 PolarHBondContact O-N 3.38Å
101E48Very low68Low134 Ų13472.5 Ų72.563%0.62637%0.37SS*.SBendtrans-111.7133.4178.2-65.9-171.617100110.4K103E101-K103 PolarHBondContact O-N 3.39Å
102K52Low66.7Low160 Ų16074.7 Ų74.770%0.69638%0.384SS*.SBendtrans-7161.6179.2-68.3-179.1176.5178.90112.1
103K64.3Low65.4Low132 Ų13279.6 Ų79.657%0.57440%0.4SS*.  trans-139.5125.5175.4-71.8-173.6177.8177.30111E101 Y105E101-K103 PolarHBondContact O-N 3.39Å; K103-Y105 HydrophobicContact CB-CE2 4.2Å
104F72.5Confident64.4Low36 Ų3684.2 Ų84.216%0.15841%0.409CS..EExtended strand (participates in β ladder)trans-85.6128.6170.4-69.3-78.8000108.7P46 M47 Y50 D86 V90 V95P46-F104 HydrophobicContact CB-CD2 3.96Å; P46-F104 HydrophobicContact CB-CE2 3.52Å; P46-F104 HydrophobicContact CB-CZ 4.07Å; P46-F104 HydrophobicContact CG-CE2 4.42Å; M47-F104 HydrophobicContact CB-CZ 4.14Å; M47-F104 HydrophobicContact CE-CE1 4.22Å; M47-F104 HydrophobicContact CE-CZ 3.75Å; M47-F104 HydrophobicContact SD-CZ 4.32Å; Y50-F104 HydrophobicContact CD1-CE1 4.47Å; Y50-F104 HydrophobicContact CD2-CE1 4.2Å; Y50-F104 AromaticContact CG-CE1 3.94Å; Y50-F104 HydrophobicContact CG-CE1 3.94Å; D86-F104 HydrophobicContact CB-CD2 4.18Å; V90-F104 HydrophobicContact CG2-CB 4.45Å; V90-F104 HydrophobicContact CG2-CD1 3.64Å; V90-F104 HydrophobicContact CG2-CD2 4.49Å; V90-F104 HydrophobicContact CG2-CE1 3.94Å; V90-F104 HydrophobicContact CG2-CG 3.93Å; V95-F104 HydrophobicContact CG1-CB 3.68Å; V95-F104 HydrophobicContact CG1-CD1 3.65Å; V95-F104 HydrophobicContact CG1-CG 4.12Å
105Y75.3Confident63.7Low97 Ų9782.3 Ų82.338%0.3840%0.4SS..EExtended strand (participates in β ladder)trans-104.4109.2177.1-66.5-78.9000109.9V95 D96 K103 I110V95-Y105 WeakPolarHBondContact CA-O 3.49Å; D96-Y105 PolarHBondContact N-O 3.27Å; D96-Y105 VanDerWaalsContact N-O 3.13Å; K103-Y105 HydrophobicContact CB-CE2 4.2Å; Y105-I110 HydrophobicContact CD1-CD1 3.88Å; Y105-I110 HydrophobicContact CG-CD1 4.35Å
106C79.7Confident63.1Low7 Ų785.9 Ų85.95%0.04742%0.419CS..EExtended strand (participates in β ladder)trans-84.2118.3175.6-179.30000111.1C89 V95 K108 C109 I110 H154C89-C106 HydrophobicContact CB-CB 3.81Å; V95-C106 HydrophobicContact CG2-CB 4.07Å; C106-K108 PolarHBondContact O-N 2.96Å; C106-K108 VanDerWaalsContact O-N 3.16Å; C106-C109 HydrophobicContact CB-CB 3.94Å; C106-C109 PolarHBondContact O-N 3.22Å; C106-C109 PolarHBondContact SG-N 2.94Å; C106-C109 VanDerWaalsContact SG-N 3.36Å; C106-I110 WeakPolarHBondContact O-CB 3.44Å; C106-I110 VanDerWaalsContact O-CD1 3.3Å; C106-I110 WeakPolarHBondContact O-CD1 3.49Å; C106-I110 WeakPolarHBondContact O-CG1 3.28Å; C106-I110 PolarHBondContact O-N 3.46Å; C106-I110 VanDerWaalsContact O-N 3.14Å; C106-H154 VanDerWaalsContact SG-CE1 3.53Å; C106-H154 PolarHBondContact SG-NE2 3.24Å
107R74.2Confident62.9Low147 Ų14783.5 Ų83.556%0.55541%0.405SS*.Hα-helixtrans-57.1-32.7179-63.3-179.9-175.9176.44.1112.7Q94 D96 T111Q94-R107 PolarHBondContact O-N 3.39Å; D96-R107 VanDerWaalsContact CG-NH2 3.3Å; D96-R107 IonicContact OD1-CZ 2.78Å; D96-R107 IonicContact OD1-NE 3.59Å; D96-R107 IonicContact OD1-NH2 3.54Å; D96-R107 PolarHBondContact OD1-NH2 3.31Å; D96-R107 IonicContact OD2-CZ 3.39Å; D96-R107 IonicContact OD2-NE 2.85Å; D96-R107 PolarHBondContact OD2-NE 2.91Å; D96-R107 IonicContact OD2-NH2 3.66Å; D96-R107 PolarHBondContact OD2-NH2 3.47Å; D96-R107 VanDerWaalsContact OD2-NH2 3.1Å; R107-T111 PolarHBondContact O-OG1 3.18Å
108K70.7Confident63.1Low26 Ų2686.3 Ų86.311%0.11343%0.426CS..Hα-helixtrans-85.4-43-179.8-68.6-165.5172.5-165.50114.2Q94 C106 I110 T111 D116 S119Q94-K108 HydrophobicContact CB-CG 4.39Å; Q94-K108 HydrophobicContact CG-CD 4.12Å; Q94-K108 HydrophobicContact CG-CG 4.25Å; C106-K108 PolarHBondContact O-N 2.96Å; C106-K108 VanDerWaalsContact O-N 3.16Å; K108-I110 VanDerWaalsContact C-N 3.27Å; K108-I110 PolarHBondContact O-N 3.12Å; K108-T111 PolarHBondContact O-N 2.92Å; K108-T111 PolarHBondContact O-OG1 3.26Å; K108-D116 PolarHBondContact NZ-O 2.95Å; K108-S119 WeakPolarHBondContact CE-OG 3.48Å; K108-S119 PolarHBondContact NZ-OG 2.94Å
109C74.4Confident63.8Low22 Ų2286.4 Ų86.415%0.14943%0.427CS..Hα-helixtrans-75.5-17.2-178.5-69.80000113C106 R149 H154C106-C109 HydrophobicContact CB-CB 3.94Å; C106-C109 PolarHBondContact O-N 3.22Å; C106-C109 PolarHBondContact SG-N 2.94Å; C106-C109 VanDerWaalsContact SG-N 3.36Å; C109-R149 PolarHBondContact O-NE 3.16Å; C109-R149 PolarHBondContact O-NH1 2.65Å; C109-R149 VanDerWaalsContact O-NH1 3.17Å; C109-R149 PolarHBondContact O-NH2 3.11Å; C109-R149 VanDerWaalsContact O-NH2 3.08Å; C109-H154 PolarHBondContact SG-NE2 3.47Å
110I69.5Low65.7Low98 Ų9879.4 Ų79.450%0.50340%0.399SS..Hα-helixtrans-81.3-33175.1-66166.4000111.5Y105 C106 K108 V112Y105-I110 HydrophobicContact CD1-CD1 3.88Å; Y105-I110 HydrophobicContact CG-CD1 4.35Å; C106-I110 WeakPolarHBondContact O-CB 3.44Å; C106-I110 VanDerWaalsContact O-CD1 3.3Å; C106-I110 WeakPolarHBondContact O-CD1 3.49Å; C106-I110 WeakPolarHBondContact O-CG1 3.28Å; C106-I110 PolarHBondContact O-N 3.46Å; C106-I110 VanDerWaalsContact O-N 3.14Å; K108-I110 VanDerWaalsContact C-N 3.27Å; K108-I110 PolarHBondContact O-N 3.12Å; I110-V112 PolarHBondContact O-N 2.85Å
111T63.5Low67.3Low63 Ų6376.9 Ų76.939%0.38736%0.363SS..  trans-74.5118.8-176.935.20000111.1R107 K108 R149R107-T111 PolarHBondContact O-OG1 3.18Å; K108-T111 PolarHBondContact O-N 2.92Å; K108-T111 PolarHBondContact O-OG1 3.26Å; T111-R149 VanDerWaalsContact C-NH2 3.32Å; T111-R149 PolarHBondContact O-NH2 2.93Å
112V57.9Low68.9Low49 Ų4980.1 Ų80.130%0.29737%0.37SS..SBendtrans-77.3-30.6-175.2-178.50000112.6I110 I186I110-V112 PolarHBondContact O-N 2.85Å; V112-I186 HydrophobicContact CG1-CD1 4.31Å
113Y57.3Low70.1Confident118 Ų11873.5 Ų73.546%0.46334%0.343SS..SBendtrans-118.4-3.7-162.9-61.4-70.2000116.5
114H57.7Low70.8Confident145 Ų14573 Ų7367%0.67135%0.351SS*.  trans-136.786.2-178.2-73.3-59.9000111.5D116H114-D116 PolarHBondContact O-N 3.41Å
115F61.5Low71.1Confident16 Ų1672.2 Ų72.27%0.0735%0.349CS..  trans-85.5110.5172-63.7-71.1000110.3F117 I186 M190 L237F115-F117 HydrophobicContact CB-CE1 3.89Å; F115-F117 HydrophobicContact CB-CE2 4.21Å; F115-F117 HydrophobicContact CB-CZ 3.71Å; F115-F117 HydrophobicContact CG-CZ 4.43Å; F115-I186 HydrophobicContact CE2-CG2 4.15Å; F115-I186 HydrophobicContact CZ-CG2 3.86Å; F115-M190 HydrophobicContact CD1-CE 3.59Å; F115-M190 HydrophobicContact CD1-CG 4.42Å; F115-M190 HydrophobicContact CD1-SD 4.02Å; F115-M190 HydrophobicContact CD2-CG 3.83Å; F115-M190 HydrophobicContact CD2-SD 4.39Å; F115-M190 HydrophobicContact CE1-CE 3.67Å; F115-M190 HydrophobicContact CE1-CG 4.26Å; F115-M190 HydrophobicContact CE1-SD 3.55Å; F115-M190 VanDerWaalsContact CE1-SD 3.55Å; F115-M190 HydrophobicContact CE2-CG 3.64Å; F115-M190 HydrophobicContact CE2-SD 3.96Å; F115-M190 HydrophobicContact CG-CE 4.09Å; F115-M190 HydrophobicContact CG-CG 4.22Å; F115-M190 HydrophobicContact CG-SD 4.41Å; F115-M190 HydrophobicContact CZ-CE 4.22Å; F115-M190 HydrophobicContact CZ-CG 3.87Å; F115-M190 HydrophobicContact CZ-SD 3.51Å; F115-M190 VanDerWaalsContact CZ-SD 3.51Å; F115-L237 WeakPolarHBondContact O-CD1 3.39Å
116D65.1Low71.3Confident85 Ų8569.7 Ų69.746%0.45535%0.352SS..  trans-91.3111.9165.1179.45.7000109.6K108 H114 T118K108-D116 PolarHBondContact NZ-O 2.95Å; H114-D116 PolarHBondContact O-N 3.41Å; D116-T118 VanDerWaalsContact C-N 3.34Å; D116-T118 VanDerWaalsContact OD1-CB 3.27Å; D116-T118 WeakPolarHBondContact OD1-CB 3.44Å; D116-T118 WeakPolarHBondContact OD1-CG2 3.46Å; D116-T118 PolarHBondContact OD1-N 2.93Å; D116-T118 PolarHBondContact OD1-OG1 3.23Å; D116-T118 PolarHBondContact OD2-OG1 3.11Å
117F70.2Confident71.4Confident23 Ų2370.5 Ų70.510%0.10136%0.357CS..  trans-87.76.5-178.3-61.4-59.6000114.5F115 R120 M190 L194 L237F115-F117 HydrophobicContact CB-CE1 3.89Å; F115-F117 HydrophobicContact CB-CE2 4.21Å; F115-F117 HydrophobicContact CB-CZ 3.71Å; F115-F117 HydrophobicContact CG-CZ 4.43Å; F117-R120 PolarHBondContact O-NE 3.29Å; F117-R120 VanDerWaalsContact O-NE 3.14Å; F117-M190 HydrophobicContact CE1-CE 3.99Å; F117-L194 HydrophobicContact CB-CD2 4.29Å; F117-L194 HydrophobicContact CD1-CD1 4.37Å; F117-L194 HydrophobicContact CD1-CD2 3.67Å; F117-L194 HydrophobicContact CD1-CG 4.29Å; F117-L194 HydrophobicContact CD2-CD2 3.74Å; F117-L194 HydrophobicContact CE1-CD1 3.95Å; F117-L194 HydrophobicContact CE1-CD2 3.8Å; F117-L194 HydrophobicContact CE1-CG 3.91Å; F117-L194 HydrophobicContact CE2-CD2 3.86Å; F117-L194 HydrophobicContact CE2-CG 4.19Å; F117-L194 HydrophobicContact CG-CD2 3.64Å; F117-L194 HydrophobicContact CZ-CD1 4.32Å; F117-L194 HydrophobicContact CZ-CD2 3.9Å; F117-L194 HydrophobicContact CZ-CG 3.86Å; F117-L237 HydrophobicContact CD2-CD1 3.58Å; F117-L237 HydrophobicContact CD2-CD2 3.9Å; F117-L237 HydrophobicContact CD2-CG 4.33Å; F117-L237 HydrophobicContact CE2-CD1 3.7Å; F117-L237 HydrophobicContact CE2-CD2 4.36Å; F117-L237 HydrophobicContact CE2-CG 4.48Å
118T66.6Low71.7Confident115 Ų11567.5 Ų67.571%0.70635%0.348SS*.SBendtrans-68.2-35.2-175.755.40000114.1D116D116-T118 VanDerWaalsContact C-N 3.34Å; D116-T118 VanDerWaalsContact OD1-CB 3.27Å; D116-T118 WeakPolarHBondContact OD1-CB 3.44Å; D116-T118 WeakPolarHBondContact OD1-CG2 3.46Å; D116-T118 PolarHBondContact OD1-N 2.93Å; D116-T118 PolarHBondContact OD1-OG1 3.23Å; D116-T118 PolarHBondContact OD2-OG1 3.11Å
119S69.3Low72.2Confident44 Ų4470.6 Ų70.631%0.30837%0.369SS..SBendtrans-104.361.6-177.562.20000113.8K108K108-S119 WeakPolarHBondContact CE-OG 3.48Å; K108-S119 PolarHBondContact NZ-OG 2.94Å
120R81.5Confident72.7Confident66 Ų6670.1 Ų70.125%0.24937%0.365CS..  trans-101.5137.1171.9-68.4-176.8-69.1160.5-1.6111F117 G153 H154 L194F117-R120 PolarHBondContact O-NE 3.29Å; F117-R120 VanDerWaalsContact O-NE 3.14Å; R120-G153 WeakPolarHBondContact CG-O 3.29Å; R120-H154 CarbonylContact C-O 3.59Å; R120-H154 WeakPolarHBondContact CA-O 3.47Å; R120-L194 VanDerWaalsContact NH1-CD2 3.27Å
121Y81.3Confident73.4Confident31 Ų3165.5 Ų65.512%0.12234%0.341CS..BIsolated β-bridgetrans-108.2164.7178.863.7-94.7000111.6E57 I88 L91 C123 H154 I155 Y156E57-Y121 HydrophobicContact CB-CD2 4.18Å; E57-Y121 HydrophobicContact CB-CE2 4.29Å; E57-Y121 HydrophobicContact CG-CD2 3.36Å; E57-Y121 HydrophobicContact CG-CE2 3.63Å; E57-Y121 HydrophobicContact CG-CG 4.08Å; I88-Y121 WeakPolarHBondContact CA-OH 3.3Å; I88-Y121 PolarHBondContact O-OH 2.59Å; L91-Y121 HydrophobicContact CB-CE1 4.11Å; L91-Y121 HydrophobicContact CB-CE2 4.37Å; Y121-C123 HydrophobicContact CD2-CB 4.14Å; Y121-C123 HydrophobicContact CE2-CB 3.82Å; Y121-H154 VanDerWaalsContact CD1-O 3.3Å; Y121-H154 WeakPolarHBondContact CD1-O 3.1Å; Y121-H154 HydrophobicContact CE1-CB 3.99Å; Y121-H154 PolarHBondContact N-O 3.24Å; Y121-I155 HydrophobicContact CE2-CG1 4.33Å; Y121-I155 CarbonylContact O-C 3.54Å; Y121-I155 WeakPolarHBondContact O-CA 3.45Å; Y121-Y156 PolarHBondContact O-N 3.25Å
122R81.2Confident74.4Confident203 Ų20367.3 Ų67.377%0.76635%0.345SS*.  trans-91.7133.3177.4-68.3-175.3178.2-172.9-0.6110.3
123C79.1Confident75.5Confident21 Ų2166.7 Ų66.714%0.14234%0.343CS..  trans-146.6131.3178.4179.40000108.5S61 Y121 L125 I155S61-C123 PolarHBondContact OG-SG 2.82Å; Y121-C123 HydrophobicContact CD2-CB 4.14Å; Y121-C123 HydrophobicContact CE2-CB 3.82Å; C123-L125 PolarHBondContact O-N 3.34Å; C123-I155 HydrophobicContact CB-CD1 3.96Å; C123-I155 HydrophobicContact CB-CG1 4.42Å; C123-I155 HydrophobicContact CB-CG2 4.15Å
124T78.2Confident76.8Confident120 Ų12061.1 Ų61.174%0.73632%0.321SS*.  trans-91.276.217951.10000109.3S61S61-T124 WeakPolarHBondContact CB-O 3.25Å; S61-T124 VanDerWaalsContact CB-OG1 3.31Å; S61-T124 WeakPolarHBondContact CB-OG1 3.35Å; S61-T124 PolarHBondContact OG-N 3.12Å; S61-T124 VanDerWaalsContact OG-N 3.15Å; S61-T124 PolarHBondContact OG-OG1 2.97Å
125L79.2Confident78Confident21 Ų2155.5 Ų55.511%0.1130%0.3CS..  trans-96.4134.6174.5-157.689.4000109.6F60 A64 C123 V127 I130 F147 L151F60-L125 HydrophobicContact CE1-CD1 3.83Å; F60-L125 HydrophobicContact CZ-CD1 4.18Å; A64-L125 HydrophobicContact CB-CD1 3.52Å; C123-L125 PolarHBondContact O-N 3.34Å; L125-V127 HydrophobicContact CB-CG2 4.2Å; L125-V127 HydrophobicContact CD2-CG2 4.09Å; L125-V127 PolarHBondContact O-N 3.02Å; L125-I130 HydrophobicContact CD1-CD1 4.31Å; L125-I130 HydrophobicContact CD2-CD1 3.49Å; L125-I130 VanDerWaalsContact CD2-CD1 3.49Å; L125-I130 HydrophobicContact CG-CD1 3.71Å; L125-F147 HydrophobicContact CD2-CE2 3.94Å; L125-F147 HydrophobicContact CD2-CZ 3.56Å; L125-L151 HydrophobicContact CD2-CD2 3.96Å
126G78.3Confident78.9Confident43 Ų4361.7 Ų61.744%0.44333%0.334SS..  trans-73.164.4171.900000112.4K128 T129 I130G126-K128 PolarHBondContact O-N 3.4Å; G126-T129 PolarHBondContact O-N 2.95Å; G126-T129 VanDerWaalsContact O-N 3.13Å; G126-I130 WeakPolarHBondContact O-CG1 3.46Å; G126-I130 PolarHBondContact O-N 2.81Å
127V81.9Confident79.7Confident24 Ų2459 Ų5915%0.14532%0.319CS..Hα-helixtrans-53.3-50.7-171.6176.50000111.8L125 T129 I130 I131 L151 L165L125-V127 HydrophobicContact CB-CG2 4.2Å; L125-V127 HydrophobicContact CD2-CG2 4.09Å; L125-V127 PolarHBondContact O-N 3.02Å; V127-T129 PolarHBondContact O-N 3.03Å; V127-I130 PolarHBondContact O-N 3.42Å; V127-I131 HydrophobicContact CG1-CD1 3.7Å; V127-I131 HydrophobicContact CG1-CG1 4.41Å; V127-I131 WeakPolarHBondContact O-CG1 3.49Å; V127-I131 PolarHBondContact O-N 3.49Å; V127-L151 HydrophobicContact CB-CD1 4.42Å; V127-L151 HydrophobicContact CG1-CD1 3.61Å; V127-L151 HydrophobicContact CG2-CD1 3.93Å; V127-L151 HydrophobicContact CG2-CD2 3.98Å; V127-L165 HydrophobicContact CG1-CD1 3.93Å
128K80.9Confident80.1Confident84 Ų8461.9 Ų61.937%0.36534%0.34SS..Hα-helixtrans-57.8-46.7177.9174.1169179.9178.90112.7G126 I130 I131 Q132 E164G126-K128 PolarHBondContact O-N 3.4Å; K128-I130 VanDerWaalsContact C-N 3.28Å; K128-I130 PolarHBondContact O-N 2.68Å; K128-I131 PolarHBondContact O-N 3.47Å; K128-Q132 VanDerWaalsContact CE-NE2 3.3Å; K128-Q132 HydrophobicContact CG-CG 4.18Å; K128-Q132 WeakPolarHBondContact O-CB 3.37Å; K128-Q132 VanDerWaalsContact O-CG 3.3Å; K128-Q132 WeakPolarHBondContact O-CG 3.38Å; K128-Q132 PolarHBondContact O-N 3.46Å; K128-E164 HydrophobicContact CD-CG 4.02Å; K128-E164 WeakPolarHBondContact CD-OE1 3.31Å; K128-E164 WeakPolarHBondContact CE-OE1 3.33Å; K128-E164 IonicContact NZ-OE1 2.78Å; K128-E164 PolarHBondContact NZ-OE1 3.11Å
129T81.5Confident80.8Confident92 Ų9259.2 Ų59.256%0.56433%0.326SS*.Hα-helixtrans-62.3-38.9179.8-49.10000111.2G126 V127 S133G126-T129 PolarHBondContact O-N 2.95Å; G126-T129 VanDerWaalsContact O-N 3.13Å; V127-T129 PolarHBondContact O-N 3.03Å; T129-S133 VanDerWaalsContact O-CB 3.27Å; T129-S133 WeakPolarHBondContact O-CB 3.39Å; T129-S133 PolarHBondContact O-N 3.35Å; T129-S133 PolarHBondContact O-OG 3.43Å
130I84Confident81.5Confident12 Ų1257.1 Ų57.16%0.06231%0.312CS..Hα-helixtrans-64.3-52.5175.6-65.3166.3000109.8F69 L81 Y84 L125 G126 V127 K128 Q132 S133 V134 F147F69-I130 HydrophobicContact CD2-CG1 4.21Å; F69-I130 HydrophobicContact CE1-CG2 4.41Å; F69-I130 HydrophobicContact CE2-CD1 4.46Å; F69-I130 HydrophobicContact CE2-CG1 3.93Å; F69-I130 HydrophobicContact CE2-CG2 4.28Å; F69-I130 HydrophobicContact CZ-CG2 4.16Å; L81-I130 HydrophobicContact CD2-CG2 3.93Å; Y84-I130 HydrophobicContact CD2-CD1 4.23Å; Y84-I130 HydrophobicContact CE2-CD1 4.07Å; L125-I130 HydrophobicContact CD1-CD1 4.31Å; L125-I130 HydrophobicContact CD2-CD1 3.49Å; L125-I130 VanDerWaalsContact CD2-CD1 3.49Å; L125-I130 HydrophobicContact CG-CD1 3.71Å; G126-I130 WeakPolarHBondContact O-CG1 3.46Å; G126-I130 PolarHBondContact O-N 2.81Å; V127-I130 PolarHBondContact O-N 3.42Å; K128-I130 VanDerWaalsContact C-N 3.28Å; K128-I130 PolarHBondContact O-N 2.68Å; I130-Q132 PolarHBondContact O-N 3.25Å; I130-S133 PolarHBondContact O-N 2.91Å; I130-V134 HydrophobicContact CG2-CG2 4.49Å; I130-V134 WeakPolarHBondContact O-CB 3.43Å; I130-V134 WeakPolarHBondContact O-CG2 3.27Å; I130-V134 PolarHBondContact O-N 3.22Å; I130-V134 VanDerWaalsContact O-N 3.09Å; I130-F147 HydrophobicContact CD1-CZ 4.16Å; I130-F147 HydrophobicContact CG2-CE1 4.05Å; I130-F147 HydrophobicContact CG2-CZ 4.18Å
131I85.1Confident81.8Confident0 Ų054.7 Ų54.70%030%0.303CS..Hα-helixtrans-62-45.6-177.3-66.6173.5000111.3V127 K128 S133 V134 A135 L144 I148 L165 S168 F171V127-I131 HydrophobicContact CG1-CD1 3.7Å; V127-I131 HydrophobicContact CG1-CG1 4.41Å; V127-I131 WeakPolarHBondContact O-CG1 3.49Å; V127-I131 PolarHBondContact O-N 3.49Å; K128-I131 PolarHBondContact O-N 3.47Å; I131-S133 PolarHBondContact O-N 3.44Å; I131-V134 CarbonylContact O-C 3.56Å; I131-V134 PolarHBondContact O-N 2.84Å; I131-A135 PolarHBondContact O-N 3.47Å; I131-L144 HydrophobicContact CG1-CD2 4.45Å; I131-I148 HydrophobicContact CD1-CG1 4.44Å; I131-L165 HydrophobicContact CD1-CD1 3.2Å; I131-S168 WeakPolarHBondContact CG2-O 3.42Å; I131-F171 HydrophobicContact CG2-CE1 3.85Å; I131-F171 HydrophobicContact CG2-CZ 4.3Å
132Q83.9Confident82.1Confident102 Ų10258 Ų5848%0.47732%0.32SS..Hα-helixtrans-64.2-39.6177.9-72-179.2-25.900112.5K128 I130 V134 A135K128-Q132 VanDerWaalsContact CE-NE2 3.3Å; K128-Q132 HydrophobicContact CG-CG 4.18Å; K128-Q132 WeakPolarHBondContact O-CB 3.37Å; K128-Q132 VanDerWaalsContact O-CG 3.3Å; K128-Q132 WeakPolarHBondContact O-CG 3.38Å; K128-Q132 PolarHBondContact O-N 3.46Å; I130-Q132 PolarHBondContact O-N 3.25Å; Q132-V134 PolarHBondContact O-N 3.23Å; Q132-A135 WeakPolarHBondContact O-CB 3.32Å; Q132-A135 PolarHBondContact O-N 2.99Å
133S82.1Confident82.4Confident36 Ų3650.4 Ų50.425%0.25229%0.293SS..Hα-helixtrans-67.3-25.6177-58.20000112.7T129 I130 I131T129-S133 VanDerWaalsContact O-CB 3.27Å; T129-S133 WeakPolarHBondContact O-CB 3.39Å; T129-S133 PolarHBondContact O-N 3.35Å; T129-S133 PolarHBondContact O-OG 3.43Å; I130-S133 PolarHBondContact O-N 2.91Å; I131-S133 PolarHBondContact O-N 3.44Å
134V84.3Confident83Confident0 Ų049.4 Ų49.40%029%0.286CS..Hα-helixtrans-91.6-21.5180178.10000111.4F69 V77 L81 I130 I131 Q132 D136 I137 S140 H141 L144F69-V134 HydrophobicContact CD1-CG2 4.01Å; F69-V134 HydrophobicContact CE1-CG2 4.48Å; V77-V134 HydrophobicContact CG1-CG2 3.91Å; L81-V134 HydrophobicContact CD1-CG1 3.92Å; L81-V134 HydrophobicContact CD1-CG2 4.18Å; L81-V134 HydrophobicContact CD2-CG2 4.37Å; I130-V134 HydrophobicContact CG2-CG2 4.49Å; I130-V134 WeakPolarHBondContact O-CB 3.43Å; I130-V134 WeakPolarHBondContact O-CG2 3.27Å; I130-V134 PolarHBondContact O-N 3.22Å; I130-V134 VanDerWaalsContact O-N 3.09Å; I131-V134 CarbonylContact O-C 3.56Å; I131-V134 PolarHBondContact O-N 2.84Å; Q132-V134 PolarHBondContact O-N 3.23Å; V134-D136 PolarHBondContact O-N 3.48Å; V134-I137 PolarHBondContact O-N 3.2Å; V134-S140 WeakPolarHBondContact CG1-OG 3.48Å; V134-H141 PolarHBondContact O-CD2 2.89Å; V134-H141 PolarHBondContact O-NE2 3.17Å; V134-L144 HydrophobicContact CB-CD1 4.41Å; V134-L144 HydrophobicContact CB-CD2 4.22Å; V134-L144 HydrophobicContact CG1-CD1 3.77Å; V134-L144 HydrophobicContact CG1-CD2 3.84Å; V134-L144 HydrophobicContact CG1-CG 3.82Å
135A82.5Confident83.5Confident28 Ų2843.8 Ų43.823%0.23125%0.251CS..Hα-helixtrans-54.7-37.6179.900000112.2I131 Q132 I137 H141 F171I131-A135 PolarHBondContact O-N 3.47Å; Q132-A135 WeakPolarHBondContact O-CB 3.32Å; Q132-A135 PolarHBondContact O-N 2.99Å; A135-I137 PolarHBondContact O-N 3.37Å; A135-H141 PolarHBondContact O-CE1 2.82Å; A135-H141 PolarHBondContact O-NE2 3.09Å; A135-F171 HydrophobicContact CB-CD1 4.29Å; A135-F171 HydrophobicContact CB-CE1 3.7Å; A135-F171 HydrophobicContact CB-CE2 4.37Å; A135-F171 HydrophobicContact CB-CZ 3.75Å
136D79.9Confident84Confident145 Ų14544.9 Ų44.978%0.77526%0.26SS*.THydrogen-bonded Turntrans-75.4-1.5178.3-63.8-29.9000114.4V134 P138V134-D136 PolarHBondContact O-N 3.48Å; D136-P138 WeakPolarHBondContact O-CD 3.41Å
137I81.9Confident84.6Confident30 Ų3042.8 Ų42.815%0.15424%0.239CC..  trans-120.481.5-175.8-49.8173.1000110.1V74 V77 V134 A135 S139 S140 H141V74-I137 HydrophobicContact CB-CG2 4.44Å; V74-I137 HydrophobicContact CG1-CG2 3.93Å; V74-I137 HydrophobicContact CG2-CG2 3.94Å; V77-I137 HydrophobicContact CG1-CD1 4.35Å; V77-I137 HydrophobicContact CG2-CD1 3.96Å; V134-I137 PolarHBondContact O-N 3.2Å; A135-I137 PolarHBondContact O-N 3.37Å; I137-S139 VanDerWaalsContact C-N 3.26Å; I137-S139 PolarHBondContact O-N 3.47Å; I137-S139 VanDerWaalsContact O-N 3.14Å; I137-S140 WeakPolarHBondContact CB-OG 3.49Å; I137-S140 WeakPolarHBondContact CG2-OG 3.29Å; I137-S140 PolarHBondContact O-N 3.42Å; I137-S140 PolarHBondContact O-OG 2.78Å; I137-H141 PolarHBondContact O-CD2 3.11Å
138P79.2Confident85Confident83 Ų8341.7 Ų41.754%0.53923%0.232SC..G310 helixtrans-52.7-40.9-176.1-28.334.3000114.1D136 S140 H141D136-P138 WeakPolarHBondContact O-CD 3.41Å; P138-S140 PolarHBondContact O-N 3.47Å; P138-H141 WeakPolarHBondContact O-CB 3.15Å; P138-H141 PolarHBondContact O-N 2.85Å
139S82.6Confident85.3Confident59 Ų5939.3 Ų39.341%0.41322%0.221SC..G310 helixtrans-62.7-12.2-179.172.70000114.7V74 K78 I137V74-S139 WeakPolarHBondContact CG1-OG 3.34Å; K78-S139 WeakPolarHBondContact CE-O 3.39Å; K78-S139 PolarHBondContact NZ-O 3.48Å; K78-S139 VanDerWaalsContact NZ-O 3.12Å; I137-S139 VanDerWaalsContact C-N 3.26Å; I137-S139 PolarHBondContact O-N 3.47Å; I137-S139 VanDerWaalsContact O-N 3.14Å
140S83.7Confident85.6Confident0 Ų035 Ų350%019%0.194CC..G310 helixtrans-104.2-7.1178.567.90000113.7V134 I137 P138 E142 H143V134-S140 WeakPolarHBondContact CG1-OG 3.48Å; I137-S140 WeakPolarHBondContact CB-OG 3.49Å; I137-S140 WeakPolarHBondContact CG2-OG 3.29Å; I137-S140 PolarHBondContact O-N 3.42Å; I137-S140 PolarHBondContact O-OG 2.78Å; P138-S140 PolarHBondContact O-N 3.47Å; S140-E142 PolarHBondContact O-N 2.91Å; S140-H143 WeakPolarHBondContact O-CB 3.49Å; S140-H143 PolarHBondContact O-N 3.04Å
141H86.8Confident85.9Confident15 Ų1534.4 Ų34.47%0.06919%0.191CC..G310 helixtrans-61.4-29.3-178.2-67.6180000112.6V134 A135 I137 P138 H143 L144 P145 F171 H175V134-H141 PolarHBondContact O-CD2 2.89Å; V134-H141 PolarHBondContact O-NE2 3.17Å; A135-H141 PolarHBondContact O-CE1 2.82Å; A135-H141 PolarHBondContact O-NE2 3.09Å; I137-H141 PolarHBondContact O-CD2 3.11Å; P138-H141 WeakPolarHBondContact O-CB 3.15Å; P138-H141 PolarHBondContact O-N 2.85Å; H141-H143 PolarHBondContact O-N 3.31Å; H141-H143 VanDerWaalsContact O-N 3.11Å; H141-L144 WeakPolarHBondContact O-CB 3.44Å; H141-L144 PolarHBondContact O-N 3.42Å; H141-P145 WeakPolarHBondContact O-CD 3.42Å; H141-F171 AromaticContact CD2-CE2 3.83Å; H141-F171 AromaticContact CE1-CD2 3.76Å; H141-F171 AromaticContact CE1-CE2 3.44Å; H141-F171 VanDerWaalsContact CE1-CE2 3.44Å; H141-F171 WeakPolarHBondContact CE1-CE2 3.12Å; H141-F171 AromaticContact CG-CE2 3.98Å; H141-F171 AromaticContact ND1-CE2 3.75Å; H141-F171 AromaticContact NE2-CE2 3.49Å; H141-F171 WeakPolarHBondContact NE2-CE2 3.45Å; H141-H175 VanDerWaalsContact CB-CD2 3.44Å; H141-H175 WeakPolarHBondContact CB-CD2 3.46Å; H141-H175 AromaticContact CG-CD2 3.92Å; H141-H175 AromaticContact ND1-CD2 3.56Å
142E87.9Confident86Confident100 Ų10034.4 Ų34.447%0.46719%0.191SC..G310 helixtrans-60.9-19.5174.9-60.3-171.6155.400113.6S140 P146S140-E142 PolarHBondContact O-N 2.91Å; E142-P146 WeakPolarHBondContact O-CD 3.42Å
143H87.8Confident86Confident43 Ų4329.8 Ų29.820%0.19917%0.171CC..G310 helixtrans-92.7-8.7176.3-59.9-76.2000113.4L81 N82 S140 H141 F147L81-H143 HydrophobicContact CB-CB 3.97Å; L81-H143 HydrophobicContact CD1-CB 3.86Å; N82-H143 PolarHBondContact ND2-CE1 3.25Å; N82-H143 PolarHBondContact ND2-ND1 2.94Å; N82-H143 PolarHBondContact OD1-ND1 3.02Å; S140-H143 WeakPolarHBondContact O-CB 3.49Å; S140-H143 PolarHBondContact O-N 3.04Å; H141-H143 PolarHBondContact O-N 3.31Å; H141-H143 VanDerWaalsContact O-N 3.11Å; H143-F147 WeakPolarHBondContact O-CB 3.44Å; H143-F147 PolarHBondContact O-N 3.42Å
144L90.7Very high86.2Confident0 Ų028.1 Ų28.10%016%0.159CC..Hα-helixtrans-74.3-46179.1-73.9175.4000113.2L81 I131 V134 H141 F147 I148 F171 I172L81-L144 HydrophobicContact CD1-CD2 4.25Å; L81-L144 HydrophobicContact CD2-CD2 4.19Å; I131-L144 HydrophobicContact CG1-CD2 4.45Å; V134-L144 HydrophobicContact CB-CD1 4.41Å; V134-L144 HydrophobicContact CB-CD2 4.22Å; V134-L144 HydrophobicContact CG1-CD1 3.77Å; V134-L144 HydrophobicContact CG1-CD2 3.84Å; V134-L144 HydrophobicContact CG1-CG 3.82Å; H141-L144 WeakPolarHBondContact O-CB 3.44Å; H141-L144 PolarHBondContact O-N 3.42Å; L144-F147 HydrophobicContact CD2-CD1 4.44Å; L144-F147 WeakPolarHBondContact O-CB 3.23Å; L144-F147 PolarHBondContact O-N 3.2Å; L144-F147 VanDerWaalsContact O-N 3.15Å; L144-I148 HydrophobicContact CB-CD1 4.43Å; L144-I148 WeakPolarHBondContact O-CB 3.43Å; L144-I148 VanDerWaalsContact O-CG1 3.27Å; L144-I148 WeakPolarHBondContact O-CG1 3.12Å; L144-I148 PolarHBondContact O-N 3.35Å; L144-F171 HydrophobicContact CD1-CE2 4.09Å; L144-F171 HydrophobicContact CD1-CZ 3.66Å; L144-I172 HydrophobicContact CB-CD1 3.66Å; L144-I172 HydrophobicContact CD1-CD1 3.9Å; L144-I172 HydrophobicContact CD1-CG1 4.27Å; L144-I172 HydrophobicContact CG-CD1 4.45Å
145P90.5Very high86.3Confident2 Ų228.2 Ų28.21%0.01316%0.16CC..Hα-helixtrans-58.7-44.3178.5-22.330.2000114.1H141 F147 I148 R149 I172 Q183 C187H141-P145 WeakPolarHBondContact O-CD 3.42Å; P145-F147 VanDerWaalsContact C-N 3.29Å; P145-F147 PolarHBondContact O-N 2.87Å; P145-I148 PolarHBondContact O-N 2.9Å; P145-R149 VanDerWaalsContact O-CB 3.26Å; P145-R149 WeakPolarHBondContact O-CB 3.49Å; P145-R149 PolarHBondContact O-N 3.49Å; P145-I172 HydrophobicContact CG-CG2 4.16Å; P145-Q183 HydrophobicContact CB-CB 3.51Å; P145-Q183 HydrophobicContact CG-CB 4.14Å; P145-C187 PolarHBondContact O-SG 3.48Å
146P88.1Confident86.5Confident44 Ų4432.9 Ų32.929%0.28617%0.172SC..Hα-helixtrans-59.4-40173.7-24.935.3000113T85 E142 A150T85-P146 HydrophobicContact CG2-CB 4.35Å; E142-P146 WeakPolarHBondContact O-CD 3.42Å; P146-A150 PolarHBondContact O-N 2.91Å
147F90.5Very high86.7Confident0 Ų026.9 Ų26.90%014%0.14CC..Hα-helixtrans-64.9-49176.5171.8-109.6000112.1L81 Y84 T85 I88 L125 I130 H143 L144 P145 R149 A150 L151L81-F147 HydrophobicContact CD2-CD1 4.34Å; L81-F147 HydrophobicContact CD2-CG 4.33Å; Y84-F147 HydrophobicContact CD2-CE2 4.44Å; T85-F147 VanDerWaalsContact OG1-CA 3.29Å; T85-F147 WeakPolarHBondContact OG1-CA 3.4Å; T85-F147 WeakPolarHBondContact OG1-CB 3.46Å; I88-F147 HydrophobicContact CD1-CD2 4.09Å; I88-F147 HydrophobicContact CD1-CE2 3.72Å; L125-F147 HydrophobicContact CD2-CE2 3.94Å; L125-F147 HydrophobicContact CD2-CZ 3.56Å; I130-F147 HydrophobicContact CD1-CZ 4.16Å; I130-F147 HydrophobicContact CG2-CE1 4.05Å; I130-F147 HydrophobicContact CG2-CZ 4.18Å; H143-F147 WeakPolarHBondContact O-CB 3.44Å; H143-F147 PolarHBondContact O-N 3.42Å; L144-F147 HydrophobicContact CD2-CD1 4.44Å; L144-F147 WeakPolarHBondContact O-CB 3.23Å; L144-F147 PolarHBondContact O-N 3.2Å; L144-F147 VanDerWaalsContact O-N 3.15Å; P145-F147 VanDerWaalsContact C-N 3.29Å; P145-F147 PolarHBondContact O-N 2.87Å; F147-R149 VanDerWaalsContact C-N 3.3Å; F147-R149 PolarHBondContact O-N 3.05Å; F147-A150 PolarHBondContact O-N 2.87Å; F147-L151 HydrophobicContact CD1-CD1 3.94Å; F147-L151 HydrophobicContact CE1-CD1 3.46Å; F147-L151 VanDerWaalsContact CE1-CD1 3.46Å; F147-L151 HydrophobicContact CE1-CG 4.26Å; F147-L151 HydrophobicContact CE2-CD1 4.31Å; F147-L151 HydrophobicContact CE2-CD2 4.3Å; F147-L151 HydrophobicContact CE2-CG 4.25Å; F147-L151 HydrophobicContact CZ-CD1 3.67Å; F147-L151 HydrophobicContact CZ-CD2 4.17Å; F147-L151 HydrophobicContact CZ-CG 4.09Å; F147-L151 WeakPolarHBondContact O-CG 3.39Å; F147-L151 PolarHBondContact O-N 3.21Å
148I91.2Very high86.9Confident0 Ų027.3 Ų27.30%015%0.148CC..Hα-helixtrans-60.3-41.6177-67.7169.4000110.8I131 L144 P145 A150 L151 L152 L165 I172 Y184 C187 M191I131-I148 HydrophobicContact CD1-CG1 4.44Å; L144-I148 HydrophobicContact CB-CD1 4.43Å; L144-I148 WeakPolarHBondContact O-CB 3.43Å; L144-I148 VanDerWaalsContact O-CG1 3.27Å; L144-I148 WeakPolarHBondContact O-CG1 3.12Å; L144-I148 PolarHBondContact O-N 3.35Å; P145-I148 PolarHBondContact O-N 2.9Å; I148-A150 PolarHBondContact O-N 3.34Å; I148-L151 WeakPolarHBondContact O-CB 3.4Å; I148-L151 PolarHBondContact O-N 3.07Å; I148-L152 HydrophobicContact CG2-CD1 3.75Å; I148-L152 HydrophobicContact CG2-CG 4.36Å; I148-L152 WeakPolarHBondContact O-CG 3.43Å; I148-L152 PolarHBondContact O-N 3.02Å; I148-L165 HydrophobicContact CG1-CD1 4.32Å; I148-L165 HydrophobicContact CG2-CD1 4.5Å; I148-L165 HydrophobicContact CG2-CD2 4.22Å; I148-I172 HydrophobicContact CD1-CD1 3.77Å; I148-Y184 HydrophobicContact CD1-CE2 4.21Å; I148-C187 HydrophobicContact CG2-CB 3.79Å; I148-M191 HydrophobicContact CG2-CE 3.8Å
149R87.7Confident87.1Confident35 Ų3527 Ų2713%0.13214%0.139CC..Hα-helixtrans-61.9-43176-172175.3-177.1-176.3-3.5111.9C109 T111 P145 F147 L152 G153 M190C109-R149 PolarHBondContact O-NE 3.16Å; C109-R149 PolarHBondContact O-NH1 2.65Å; C109-R149 VanDerWaalsContact O-NH1 3.17Å; C109-R149 PolarHBondContact O-NH2 3.11Å; C109-R149 VanDerWaalsContact O-NH2 3.08Å; T111-R149 VanDerWaalsContact C-NH2 3.32Å; T111-R149 PolarHBondContact O-NH2 2.93Å; P145-R149 VanDerWaalsContact O-CB 3.26Å; P145-R149 WeakPolarHBondContact O-CB 3.49Å; P145-R149 PolarHBondContact O-N 3.49Å; F147-R149 VanDerWaalsContact C-N 3.3Å; F147-R149 PolarHBondContact O-N 3.05Å; R149-L152 PolarHBondContact O-N 3.15Å; R149-G153 PolarHBondContact O-N 3.35Å; R149-M190 HydrophobicContact CG-SD 3.76Å
150A87.7Confident87.2Confident0 Ų031.1 Ų31.10%015%0.152CC..Hα-helixtrans-64.6-4017500000111.9T85 I88 P146 F147 I148 G153 H154T85-A150 HydrophobicContact CG2-CB 3.89Å; I88-A150 HydrophobicContact CB-CB 4.31Å; I88-A150 HydrophobicContact CG2-CB 3.93Å; I88-A150 WeakPolarHBondContact CG2-O 3.21Å; P146-A150 PolarHBondContact O-N 2.91Å; F147-A150 PolarHBondContact O-N 2.87Å; I148-A150 PolarHBondContact O-N 3.34Å; A150-G153 PolarHBondContact O-N 2.88Å; A150-H154 WeakPolarHBondContact O-CB 3.43Å; A150-H154 PolarHBondContact O-CD2 3.19Å; A150-H154 PolarHBondContact O-N 3.1Å
151L89.6Confident87.4Confident0 Ų034.5 Ų34.50%017%0.17CC..Hα-helixtrans-58-55.4173.8-70.8173.4000111.3I88 L125 V127 F147 I148 G153 H154 I155I88-L151 HydrophobicContact CD1-CD2 3.76Å; I88-L151 HydrophobicContact CD1-CG 4.31Å; L125-L151 HydrophobicContact CD2-CD2 3.96Å; V127-L151 HydrophobicContact CB-CD1 4.42Å; V127-L151 HydrophobicContact CG1-CD1 3.61Å; V127-L151 HydrophobicContact CG2-CD1 3.93Å; V127-L151 HydrophobicContact CG2-CD2 3.98Å; F147-L151 HydrophobicContact CD1-CD1 3.94Å; F147-L151 HydrophobicContact CE1-CD1 3.46Å; F147-L151 VanDerWaalsContact CE1-CD1 3.46Å; F147-L151 HydrophobicContact CE1-CG 4.26Å; F147-L151 HydrophobicContact CE2-CD1 4.31Å; F147-L151 HydrophobicContact CE2-CD2 4.3Å; F147-L151 HydrophobicContact CE2-CG 4.25Å; F147-L151 HydrophobicContact CZ-CD1 3.67Å; F147-L151 HydrophobicContact CZ-CD2 4.17Å; F147-L151 HydrophobicContact CZ-CG 4.09Å; F147-L151 WeakPolarHBondContact O-CG 3.39Å; F147-L151 PolarHBondContact O-N 3.21Å; I148-L151 WeakPolarHBondContact O-CB 3.4Å; I148-L151 PolarHBondContact O-N 3.07Å; L151-G153 VanDerWaalsContact C-N 3.29Å; L151-G153 PolarHBondContact O-N 3.28Å; L151-H154 PolarHBondContact O-N 2.85Å; L151-I155 HydrophobicContact CD2-CD1 3.47Å; L151-I155 VanDerWaalsContact CD2-CD1 3.47Å; L151-I155 HydrophobicContact CD2-CG1 4.4Å; L151-I155 WeakPolarHBondContact O-CA 3.46Å; L151-I155 WeakPolarHBondContact O-CB 3.26Å; L151-I155 PolarHBondContact O-N 3.19Å
152L87.4Confident87.4Confident0 Ų033.9 Ų33.90%017%0.168CC..Hα-helixtrans-64.4-34.6-178.2-67.1165.3000112.2I148 R149 L157 L165 C187 M190 M191 L194I148-L152 HydrophobicContact CG2-CD1 3.75Å; I148-L152 HydrophobicContact CG2-CG 4.36Å; I148-L152 WeakPolarHBondContact O-CG 3.43Å; I148-L152 PolarHBondContact O-N 3.02Å; R149-L152 PolarHBondContact O-N 3.15Å; L152-L157 HydrophobicContact CD2-CD1 4.06Å; L152-L165 HydrophobicContact CD2-CD2 3.91Å; L152-L165 HydrophobicContact CG-CD2 4.2Å; L152-C187 HydrophobicContact CD1-CB 4.29Å; L152-M190 HydrophobicContact CB-CB 4.24Å; L152-M190 HydrophobicContact CB-CE 3.66Å; L152-M190 HydrophobicContact CB-SD 4.31Å; L152-M190 HydrophobicContact CD1-CB 3.87Å; L152-M191 HydrophobicContact CD1-CE 4.08Å; L152-M191 HydrophobicContact CD1-CG 3.76Å; L152-M191 HydrophobicContact CD2-CG 3.92Å; L152-L194 HydrophobicContact CB-CD1 4.1Å; L152-L194 HydrophobicContact CD2-CD1 3.82Å
153G84.6Confident87.3Confident6 Ų629.8 Ų29.86%0.06215%0.149CC..Hα-helixtrans-78.1-30.8-177.500000114.7R120 R149 A150 L151R120-G153 WeakPolarHBondContact CG-O 3.29Å; R149-G153 PolarHBondContact O-N 3.35Å; A150-G153 PolarHBondContact O-N 2.88Å; L151-G153 VanDerWaalsContact C-N 3.29Å; L151-G153 PolarHBondContact O-N 3.28Å
154H86.5Confident87.3Confident0 Ų031.1 Ų31.10%016%0.155CC..Hα-helixtrans-124-23.2-168.8-62.6-60.7000115I88 S92 C106 C109 R120 Y121 A150 L151I88-H154 HydrophobicContact CG2-CB 3.8Å; S92-H154 WeakPolarHBondContact CB-ND1 3.21Å; S92-H154 PolarHBondContact OG-CE1 3.01Å; S92-H154 VanDerWaalsContact OG-CE1 3.25Å; S92-H154 PolarHBondContact OG-ND1 2.78Å; C106-H154 VanDerWaalsContact SG-CE1 3.53Å; C106-H154 PolarHBondContact SG-NE2 3.24Å; C109-H154 PolarHBondContact SG-NE2 3.47Å; R120-H154 CarbonylContact C-O 3.59Å; R120-H154 WeakPolarHBondContact CA-O 3.47Å; Y121-H154 VanDerWaalsContact CD1-O 3.3Å; Y121-H154 WeakPolarHBondContact CD1-O 3.1Å; Y121-H154 HydrophobicContact CE1-CB 3.99Å; Y121-H154 PolarHBondContact N-O 3.24Å; A150-H154 WeakPolarHBondContact O-CB 3.43Å; A150-H154 PolarHBondContact O-CD2 3.19Å; A150-H154 PolarHBondContact O-N 3.1Å; L151-H154 PolarHBondContact O-N 2.85Å
155I86.1Confident87.3Confident3 Ų331.3 Ų31.32%0.01516%0.156CC..BIsolated β-bridgetrans-102.9135.7-178.9-53.8-173.2000109.6I88 Y121 C123 L151 L157I88-I155 HydrophobicContact CD1-CD1 4.16Å; I88-I155 HydrophobicContact CG1-CD1 4.1Å; I88-I155 HydrophobicContact CG2-CD1 4.18Å; I88-I155 HydrophobicContact CG2-CG1 4.05Å; Y121-I155 HydrophobicContact CE2-CG1 4.33Å; Y121-I155 CarbonylContact O-C 3.54Å; Y121-I155 WeakPolarHBondContact O-CA 3.45Å; C123-I155 HydrophobicContact CB-CD1 3.96Å; C123-I155 HydrophobicContact CB-CG1 4.42Å; C123-I155 HydrophobicContact CB-CG2 4.15Å; L151-I155 HydrophobicContact CD2-CD1 3.47Å; L151-I155 VanDerWaalsContact CD2-CD1 3.47Å; L151-I155 HydrophobicContact CD2-CG1 4.4Å; L151-I155 WeakPolarHBondContact O-CA 3.46Å; L151-I155 WeakPolarHBondContact O-CB 3.26Å; L151-I155 PolarHBondContact O-N 3.19Å; I155-L157 HydrophobicContact CG2-CD2 4.34Å; I155-L157 PolarHBondContact O-N 3.46Å
156Y86.2Confident87.3Confident125 Ų12531.2 Ų31.249%0.4916%0.155SC..  trans-71.2113.5169.3-176.8-87.1000109.3Y121Y121-Y156 PolarHBondContact O-N 3.25Å
157L84.8Confident87.3Confident20 Ų2034.5 Ų34.511%0.10517%0.167CC..  trans-110135.3173.3-63.7175.7000108.5L152 I155 D161 I162 L165L152-L157 HydrophobicContact CD2-CD1 4.06Å; I155-L157 HydrophobicContact CG2-CD2 4.34Å; I155-L157 PolarHBondContact O-N 3.46Å; L157-D161 HydrophobicContact CB-CB 4.13Å; L157-D161 HydrophobicContact CD2-CB 4.21Å; L157-I162 HydrophobicContact CB-CD1 4.44Å; L157-I162 HydrophobicContact CB-CG1 3.95Å; L157-I162 HydrophobicContact CD1-CG1 4.49Å; L157-L165 HydrophobicContact CD1-CD2 4.11Å
158A85.9Confident87.2Confident39 Ų3935.3 Ų35.332%0.32217%0.173SC..  trans-69.4163.5168.300000109.9E160 D161 I162A158-E160 VanDerWaalsContact C-N 3.27Å; A158-E160 PolarHBondContact O-N 2.83Å; A158-D161 VanDerWaalsContact CB-OD2 3.31Å; A158-D161 WeakPolarHBondContact CB-OD2 3.46Å; A158-D161 PolarHBondContact N-OD2 3.07Å; A158-D161 WeakPolarHBondContact O-CB 3.46Å; A158-D161 PolarHBondContact O-N 3.31Å; A158-D161 VanDerWaalsContact O-N 3.13Å; A158-I162 WeakPolarHBondContact O-CG1 3.39Å; A158-I162 PolarHBondContact O-N 3.07Å; A158-I162 VanDerWaalsContact O-N 3.11Å
159E83Confident87.1Confident76 Ų7635.3 Ų35.336%0.35517%0.173SC..Hα-helixtrans-60.8-37.4179179.3162.5-15000112.7D161 I162 I163 A195 S197E159-D161 VanDerWaalsContact C-N 3.32Å; E159-D161 PolarHBondContact O-N 3.42Å; E159-I162 PolarHBondContact O-N 2.93Å; E159-I162 VanDerWaalsContact O-N 3.15Å; E159-I163 HydrophobicContact CG-CD1 4.31Å; E159-I163 PolarHBondContact O-N 3.21Å; E159-A195 HydrophobicContact CG-CB 3.97Å; E159-S197 WeakPolarHBondContact OE1-CB 3.5Å; E159-S197 PolarHBondContact OE1-N 3.42Å; E159-S197 PolarHBondContact OE1-OG 3.43Å
160E85.7Confident87.2Confident145 Ų14534 Ų3468%0.67817%0.168SC*.Hα-helixtrans-61.8-40.3174.8-62.8-170.4155.100111.8A158 I162 I163 E164A158-E160 VanDerWaalsContact C-N 3.27Å; A158-E160 PolarHBondContact O-N 2.83Å; E160-I162 VanDerWaalsContact C-N 3.27Å; E160-I162 PolarHBondContact O-N 2.75Å; E160-I163 PolarHBondContact O-N 3.12Å; E160-E164 WeakPolarHBondContact O-CB 3.22Å; E160-E164 PolarHBondContact O-N 3.35Å
161D86.6Confident87.1Confident72 Ų7236.9 Ų36.939%0.38518%0.181SC..Hα-helixtrans-65.1-32.9176.4-55.1-44.9000111.4L157 A158 E159 L165L157-D161 HydrophobicContact CB-CB 4.13Å; L157-D161 HydrophobicContact CD2-CB 4.21Å; A158-D161 VanDerWaalsContact CB-OD2 3.31Å; A158-D161 WeakPolarHBondContact CB-OD2 3.46Å; A158-D161 PolarHBondContact N-OD2 3.07Å; A158-D161 WeakPolarHBondContact O-CB 3.46Å; A158-D161 PolarHBondContact O-N 3.31Å; A158-D161 VanDerWaalsContact O-N 3.13Å; E159-D161 VanDerWaalsContact C-N 3.32Å; E159-D161 PolarHBondContact O-N 3.42Å; D161-L165 WeakPolarHBondContact O-CB 3.45Å; D161-L165 PolarHBondContact O-N 2.9Å
162I87.4Confident86.9Confident2 Ų236.9 Ų36.91%0.0118%0.181CC..Hα-helixtrans-72.9-41.4178.1-65.1163.4000111.1L157 A158 E159 E160 L165 L166 M191 L194 A195 F200L157-I162 HydrophobicContact CB-CD1 4.44Å; L157-I162 HydrophobicContact CB-CG1 3.95Å; L157-I162 HydrophobicContact CD1-CG1 4.49Å; A158-I162 WeakPolarHBondContact O-CG1 3.39Å; A158-I162 PolarHBondContact O-N 3.07Å; A158-I162 VanDerWaalsContact O-N 3.11Å; E159-I162 PolarHBondContact O-N 2.93Å; E159-I162 VanDerWaalsContact O-N 3.15Å; E160-I162 VanDerWaalsContact C-N 3.27Å; E160-I162 PolarHBondContact O-N 2.75Å; I162-L165 WeakPolarHBondContact O-CB 3.17Å; I162-L165 PolarHBondContact O-N 3.39Å; I162-L166 PolarHBondContact O-N 3.44Å; I162-M191 HydrophobicContact CG2-CB 3.79Å; I162-M191 HydrophobicContact CG2-CG 3.97Å; I162-L194 HydrophobicContact CD1-CB 3.54Å; I162-A195 HydrophobicContact CB-CB 4.16Å; I162-A195 HydrophobicContact CD1-CB 4.15Å; I162-A195 HydrophobicContact CG2-CB 3.75Å; I162-F200 HydrophobicContact CG2-CD2 4.38Å; I162-F200 HydrophobicContact CG2-CE2 4.04Å
163I86.4Confident86.7Confident13 Ų1337 Ų377%0.06718%0.182CC..Hα-helixtrans-64.5-45.3174.7-66.3169000109.7E159 E160 L165 L166 E167 R199 F200E159-I163 HydrophobicContact CG-CD1 4.31Å; E159-I163 PolarHBondContact O-N 3.21Å; E160-I163 PolarHBondContact O-N 3.12Å; I163-L165 VanDerWaalsContact C-N 3.3Å; I163-L165 PolarHBondContact O-N 3.06Å; I163-L166 WeakPolarHBondContact O-CB 3.37Å; I163-L166 PolarHBondContact O-N 3.48Å; I163-E167 WeakPolarHBondContact O-CG 3.05Å; I163-E167 PolarHBondContact O-N 3.35Å; I163-R199 HydrophobicContact CD1-CG 4.38Å; I163-F200 HydrophobicContact CG1-CB 4.3Å; I163-F200 HydrophobicContact CG1-CD2 4.01Å
164E87.2Confident86.6Confident71 Ų7140.5 Ų40.533%0.33220%0.195SC..Hα-helixtrans-64.1-36.6176.9-173.5172.2-139.800112K128 E160 S168K128-E164 HydrophobicContact CD-CG 4.02Å; K128-E164 WeakPolarHBondContact CD-OE1 3.31Å; K128-E164 WeakPolarHBondContact CE-OE1 3.33Å; K128-E164 IonicContact NZ-OE1 2.78Å; K128-E164 PolarHBondContact NZ-OE1 3.11Å; E160-E164 WeakPolarHBondContact O-CB 3.22Å; E160-E164 PolarHBondContact O-N 3.35Å; E164-S168 VanDerWaalsContact O-CB 3.26Å; E164-S168 WeakPolarHBondContact O-CB 3.5Å; E164-S168 PolarHBondContact O-N 2.86Å; E164-S168 PolarHBondContact O-OG 3.31Å
165L90.9Very high86.5Confident4 Ų441.8 Ų41.82%0.02120%0.201CC..Hα-helixtrans-62.4-47.8172.1177.659.6000111.1V127 I131 I148 L152 L157 D161 I162 I163 E167 S168 S169 M191V127-L165 HydrophobicContact CG1-CD1 3.93Å; I131-L165 HydrophobicContact CD1-CD1 3.2Å; I148-L165 HydrophobicContact CG1-CD1 4.32Å; I148-L165 HydrophobicContact CG2-CD1 4.5Å; I148-L165 HydrophobicContact CG2-CD2 4.22Å; L152-L165 HydrophobicContact CD2-CD2 3.91Å; L152-L165 HydrophobicContact CG-CD2 4.2Å; L157-L165 HydrophobicContact CD1-CD2 4.11Å; D161-L165 WeakPolarHBondContact O-CB 3.45Å; D161-L165 PolarHBondContact O-N 2.9Å; I162-L165 WeakPolarHBondContact O-CB 3.17Å; I162-L165 PolarHBondContact O-N 3.39Å; I163-L165 VanDerWaalsContact C-N 3.3Å; I163-L165 PolarHBondContact O-N 3.06Å; L165-E167 PolarHBondContact O-N 2.87Å; L165-S168 WeakPolarHBondContact CA-OG 3.33Å; L165-S168 PolarHBondContact O-N 2.76Å; L165-S168 PolarHBondContact O-OG 3Å; L165-S169 WeakPolarHBondContact O-CB 3.49Å; L165-S169 PolarHBondContact O-N 3.43Å; L165-S169 PolarHBondContact O-OG 2.84Å; L165-M191 HydrophobicContact CD2-CE 3.92Å; L165-M191 HydrophobicContact CG-CE 3.74Å
166L89.6Confident86.2Confident0 Ų049.9 Ų49.90%024%0.239CC..Hα-helixtrans-55-51.8175.4173.965.9000111I162 I163 S168 S169 F170 L188 M191 F200 I204I162-L166 PolarHBondContact O-N 3.44Å; I163-L166 WeakPolarHBondContact O-CB 3.37Å; I163-L166 PolarHBondContact O-N 3.48Å; L166-S168 PolarHBondContact O-N 3.49Å; L166-S169 PolarHBondContact O-N 3.42Å; L166-F170 HydrophobicContact CD1-CD2 4.21Å; L166-F170 WeakPolarHBondContact O-CB 3.22Å; L166-F170 PolarHBondContact O-N 2.96Å; L166-L188 HydrophobicContact CD1-CD2 3.35Å; L166-M191 HydrophobicContact CB-SD 3.99Å; L166-M191 HydrophobicContact CD1-SD 4.16Å; L166-F200 HydrophobicContact CB-CE2 4.32Å; L166-F200 HydrophobicContact CD2-CD2 4.21Å; L166-F200 HydrophobicContact CD2-CE2 3.71Å; L166-F200 HydrophobicContact CD2-CZ 4.19Å; L166-I204 HydrophobicContact CD2-CB 4.15Å
167E88.9Confident86.1Confident113 Ų11345.5 Ų45.553%0.52823%0.227SC..Hα-helixtrans-62.4-42.4-179.1-71.2177179.100112.2I163 L165I163-E167 WeakPolarHBondContact O-CG 3.05Å; I163-E167 PolarHBondContact O-N 3.35Å; L165-E167 PolarHBondContact O-N 2.87Å
168S87.5Confident86Confident18 Ų1846.7 Ų46.713%0.12623%0.233CC..Hα-helixtrans-76.1-27.3-177.959.90000113.7I131 E164 L165 L166 F171I131-S168 WeakPolarHBondContact CG2-O 3.42Å; E164-S168 VanDerWaalsContact O-CB 3.26Å; E164-S168 WeakPolarHBondContact O-CB 3.5Å; E164-S168 PolarHBondContact O-N 2.86Å; E164-S168 PolarHBondContact O-OG 3.31Å; L165-S168 WeakPolarHBondContact CA-OG 3.33Å; L165-S168 PolarHBondContact O-N 2.76Å; L165-S168 PolarHBondContact O-OG 3Å; L166-S168 PolarHBondContact O-N 3.49Å; S168-F171 WeakPolarHBondContact O-CD1 3.46Å; S168-F171 WeakPolarHBondContact O-CE1 3.49Å
169S90.5Very high86Confident0 Ų049.7 Ų49.70%024%0.24CC..Hα-helixtrans-100.9-6.2-179.668.40000115L165 L166 F171 I172 Y184L165-S169 WeakPolarHBondContact O-CB 3.49Å; L165-S169 PolarHBondContact O-N 3.43Å; L165-S169 PolarHBondContact O-OG 2.84Å; L166-S169 PolarHBondContact O-N 3.42Å; S169-F171 PolarHBondContact O-N 2.88Å; S169-I172 WeakPolarHBondContact O-CB 3.29Å; S169-I172 VanDerWaalsContact O-CG1 3.27Å; S169-I172 WeakPolarHBondContact O-CG1 3.34Å; S169-I172 PolarHBondContact O-N 3.21Å; S169-Y184 VanDerWaalsContact C-OH 3.24Å; S169-Y184 PolarHBondContact O-OH 2.8Å; S169-Y184 WeakPolarHBondContact OG-CE2 3.48Å; S169-Y184 PolarHBondContact OG-OH 3.39Å
170F88.3Confident86.1Confident8 Ų846.2 Ų46.24%0.03522%0.224CC..G310 helixtrans-60.4-22.5-174.3-163-104.7000114.1L166 I172 A173 F174 Y184 Q207 L211L166-F170 HydrophobicContact CD1-CD2 4.21Å; L166-F170 WeakPolarHBondContact O-CB 3.22Å; L166-F170 PolarHBondContact O-N 2.96Å; F170-I172 PolarHBondContact O-N 3.3Å; F170-I172 VanDerWaalsContact O-N 3.1Å; F170-A173 HydrophobicContact CD2-CB 4.44Å; F170-A173 HydrophobicContact CE1-CB 4.36Å; F170-A173 HydrophobicContact CE2-CB 4.18Å; F170-A173 HydrophobicContact CZ-CB 4.12Å; F170-A173 WeakPolarHBondContact O-CB 3.28Å; F170-A173 PolarHBondContact O-N 2.87Å; F170-F174 AromaticContact CD1-CE2 3.87Å; F170-F174 HydrophobicContact CD1-CE2 3.87Å; F170-F174 AromaticContact CE1-CE2 3.76Å; F170-F174 HydrophobicContact CE1-CE2 3.76Å; F170-F174 HydrophobicContact CE1-CZ 4.18Å; F170-Y184 WeakPolarHBondContact CA-OH 3.37Å; F170-Y184 HydrophobicContact CD2-CE1 4.44Å; F170-Y184 PolarHBondContact N-OH 3.43Å; F170-Q207 HydrophobicContact CD1-CB 4.09Å; F170-Q207 HydrophobicContact CD1-CG 4.42Å; F170-Q207 VanDerWaalsContact CD1-OE1 3.28Å; F170-Q207 HydrophobicContact CD2-CB 3.98Å; F170-Q207 HydrophobicContact CD2-CG 4.48Å; F170-Q207 HydrophobicContact CE1-CB 3.8Å; F170-Q207 WeakPolarHBondContact CE1-O 3.46Å; F170-Q207 HydrophobicContact CE2-CB 3.68Å; F170-Q207 HydrophobicContact CG-CB 4.2Å; F170-Q207 HydrophobicContact CG-CG 4.4Å; F170-Q207 HydrophobicContact CZ-CB 3.6Å; F170-Q207 VanDerWaalsContact CZ-O 3.25Å; F170-Q207 WeakPolarHBondContact CZ-O 3.19Å; F170-L211 HydrophobicContact CE1-CB 4.41Å; F170-L211 HydrophobicContact CZ-CB 4.21Å
171F86Confident86.2Confident60 Ų6039.9 Ų39.926%0.26319%0.194SC..G310 helixtrans-56.9-25.8173.870.6-97.7000113.1I131 A135 H141 L144 S168 S169 A173 F174I131-F171 HydrophobicContact CG2-CE1 3.85Å; I131-F171 HydrophobicContact CG2-CZ 4.3Å; A135-F171 HydrophobicContact CB-CD1 4.29Å; A135-F171 HydrophobicContact CB-CE1 3.7Å; A135-F171 HydrophobicContact CB-CE2 4.37Å; A135-F171 HydrophobicContact CB-CZ 3.75Å; H141-F171 AromaticContact CD2-CE2 3.83Å; H141-F171 AromaticContact CE1-CD2 3.76Å; H141-F171 AromaticContact CE1-CE2 3.44Å; H141-F171 VanDerWaalsContact CE1-CE2 3.44Å; H141-F171 WeakPolarHBondContact CE1-CE2 3.12Å; H141-F171 AromaticContact CG-CE2 3.98Å; H141-F171 AromaticContact ND1-CE2 3.75Å; H141-F171 AromaticContact NE2-CE2 3.49Å; H141-F171 WeakPolarHBondContact NE2-CE2 3.45Å; L144-F171 HydrophobicContact CD1-CE2 4.09Å; L144-F171 HydrophobicContact CD1-CZ 3.66Å; S168-F171 WeakPolarHBondContact O-CD1 3.46Å; S168-F171 WeakPolarHBondContact O-CE1 3.49Å; S169-F171 PolarHBondContact O-N 2.88Å; F171-A173 PolarHBondContact O-N 3.46Å; F171-F174 PolarHBondContact O-N 3.48Å
172I86.5Confident86.1Confident0 Ų039.5 Ų39.50%019%0.189CC..G310 helixtrans-62.3-27175.9-58.6170.7000111.1L144 P145 I148 S169 F170 F174 H175 Y184L144-I172 HydrophobicContact CB-CD1 3.66Å; L144-I172 HydrophobicContact CD1-CD1 3.9Å; L144-I172 HydrophobicContact CD1-CG1 4.27Å; L144-I172 HydrophobicContact CG-CD1 4.45Å; P145-I172 HydrophobicContact CG-CG2 4.16Å; I148-I172 HydrophobicContact CD1-CD1 3.77Å; S169-I172 WeakPolarHBondContact O-CB 3.29Å; S169-I172 VanDerWaalsContact O-CG1 3.27Å; S169-I172 WeakPolarHBondContact O-CG1 3.34Å; S169-I172 PolarHBondContact O-N 3.21Å; F170-I172 PolarHBondContact O-N 3.3Å; F170-I172 VanDerWaalsContact O-N 3.1Å; I172-F174 PolarHBondContact O-N 2.97Å; I172-F174 VanDerWaalsContact O-N 3.15Å; I172-H175 WeakPolarHBondContact O-CB 3.25Å; I172-H175 PolarHBondContact O-N 3.37Å; I172-Y184 HydrophobicContact CB-CD1 4.27Å; I172-Y184 HydrophobicContact CB-CD2 3.97Å; I172-Y184 HydrophobicContact CB-CE2 4.26Å; I172-Y184 HydrophobicContact CB-CG 3.99Å; I172-Y184 HydrophobicContact CD1-CD2 3.94Å; I172-Y184 HydrophobicContact CD1-CE2 4.02Å; I172-Y184 HydrophobicContact CG2-CD1 4.35Å; I172-Y184 HydrophobicContact CG2-CD2 3.92Å; I172-Y184 HydrophobicContact CG2-CG 3.74Å
173A83.3Confident86.1Confident3 Ų342.2 Ų42.23%0.02520%0.202CC..G310 helixtrans-62.9-19.6176.100000113.3F170 F171 R181 Y184 L211 Y227F170-A173 HydrophobicContact CD2-CB 4.44Å; F170-A173 HydrophobicContact CE1-CB 4.36Å; F170-A173 HydrophobicContact CE2-CB 4.18Å; F170-A173 HydrophobicContact CZ-CB 4.12Å; F170-A173 WeakPolarHBondContact O-CB 3.28Å; F170-A173 PolarHBondContact O-N 2.87Å; F171-A173 PolarHBondContact O-N 3.46Å; A173-R181 WeakPolarHBondContact O-CD 3.46Å; A173-Y184 HydrophobicContact CB-CD1 4.28Å; A173-Y184 HydrophobicContact CB-CE1 4.22Å; A173-L211 HydrophobicContact CB-CD2 4.38Å; A173-Y227 WeakPolarHBondContact CA-OH 3.46Å; A173-Y227 HydrophobicContact CB-CE2 4.1Å
174F81.9Confident86.2Confident78 Ų7841.6 Ų41.634%0.34220%0.199SC..G310 helixtrans-98.93.2176.9-58.7-90.1000113.3F170 F171 I172 L211F170-F174 AromaticContact CD1-CE2 3.87Å; F170-F174 HydrophobicContact CD1-CE2 3.87Å; F170-F174 AromaticContact CE1-CE2 3.76Å; F170-F174 HydrophobicContact CE1-CE2 3.76Å; F170-F174 HydrophobicContact CE1-CZ 4.18Å; F171-F174 PolarHBondContact O-N 3.48Å; I172-F174 PolarHBondContact O-N 2.97Å; I172-F174 VanDerWaalsContact O-N 3.15Å; F174-L211 HydrophobicContact CD1-CD1 3.72Å; F174-L211 HydrophobicContact CE1-CD1 3.34Å; F174-L211 HydrophobicContact CE2-CD1 4.21Å; F174-L211 HydrophobicContact CG-CD1 4.31Å; F174-L211 HydrophobicContact CZ-CB 4.44Å; F174-L211 HydrophobicContact CZ-CD1 3.62Å
175H83.4Confident86.2Confident27 Ų2738.3 Ų38.313%0.12518%0.184CC..  trans-64.5142.1-177-172.6-89.5000111.9H141 I172 S177 C180 R181H141-H175 VanDerWaalsContact CB-CD2 3.44Å; H141-H175 WeakPolarHBondContact CB-CD2 3.46Å; H141-H175 AromaticContact CG-CD2 3.92Å; H141-H175 AromaticContact ND1-CD2 3.56Å; I172-H175 WeakPolarHBondContact O-CB 3.25Å; I172-H175 PolarHBondContact O-N 3.37Å; H175-S177 WeakPolarHBondContact ND1-CB 3.43Å; H175-S177 PolarHBondContact ND1-N 3.07Å; H175-S177 VanDerWaalsContact ND1-N 3.11Å; H175-S177 PolarHBondContact O-N 2.75Å; H175-C180 HydrophobicContact CB-CB 4.49Å; H175-C180 WeakPolarHBondContact ND1-CB 3.34Å; H175-R181 VanDerWaalsContact O-CD 3.29Å; H175-R181 WeakPolarHBondContact O-CD 3.37Å; H175-R181 PolarHBondContact O-NH1 2.73Å
176E79.7Confident85.9Confident173 Ų17339 Ų3981%0.80819%0.187SC*.SBendtrans-61.5-40.2-174.7-63.5-179.7173.400113.5L178 R181E176-L178 PolarHBondContact O-N 2.89Å; E176-R181 PolarHBondContact O-NH1 3.43Å
177S84.6Confident85.9Confident33 Ų3339 Ų3923%0.23119%0.187CC..  trans-70.4119.4178.9178.40000112.4H175 E179 C180 R181H175-S177 WeakPolarHBondContact ND1-CB 3.43Å; H175-S177 PolarHBondContact ND1-N 3.07Å; H175-S177 VanDerWaalsContact ND1-N 3.11Å; H175-S177 PolarHBondContact O-N 2.75Å; S177-E179 VanDerWaalsContact C-N 3.26Å; S177-E179 PolarHBondContact O-N 2.85Å; S177-E179 PolarHBondContact OG-N 2.79Å; S177-C180 WeakPolarHBondContact O-CB 3.5Å; S177-C180 PolarHBondContact O-N 3.05Å; S177-R181 PolarHBondContact O-N 2.61Å
178L83.5Confident85.8Confident45 Ų4533.7 Ų33.724%0.23616%0.162CC..Hα-helixtrans-59.2-36.3173.8176.464.5000112.3E176 C180 R181 K182 E222E176-L178 PolarHBondContact O-N 2.89Å; L178-C180 VanDerWaalsContact C-N 3.33Å; L178-C180 PolarHBondContact O-N 3.45Å; L178-R181 PolarHBondContact O-N 3.48Å; L178-K182 HydrophobicContact CD1-CG 4.4Å; L178-K182 HydrophobicContact CG-CD 4.17Å; L178-K182 HydrophobicContact CG-CG 4.46Å; L178-K182 WeakPolarHBondContact O-CG 3.44Å; L178-K182 PolarHBondContact O-N 3.16Å; L178-E222 HydrophobicContact CD1-CG 4.16Å; L178-E222 WeakPolarHBondContact CD2-OE1 3.26Å
179E84.9Confident85.5Confident103 Ų10332.9 Ų32.948%0.48116%0.157SC..Hα-helixtrans-64.5-41179.3-176.655.6-152.800111.1S177 R181 K182 Q183S177-E179 VanDerWaalsContact C-N 3.26Å; S177-E179 PolarHBondContact O-N 2.85Å; S177-E179 PolarHBondContact OG-N 2.79Å; E179-R181 PolarHBondContact O-N 3.4Å; E179-K182 PolarHBondContact O-N 3.13Å; E179-Q183 WeakPolarHBondContact O-CG 3.32Å; E179-Q183 PolarHBondContact O-N 3.09Å; E179-Q183 PolarHBondContact OE1-NE2 3.01Å; E179-Q183 VanDerWaalsContact OE1-NE2 3.08Å
180C86.5Confident85.2Confident3 Ų332.9 Ų32.92%0.0216%0.157CC..Hα-helixtrans-60.9-44.8174-171.40000111.4H175 S177 L178 K182 Q183 Y184H175-C180 HydrophobicContact CB-CB 4.49Å; H175-C180 WeakPolarHBondContact ND1-CB 3.34Å; S177-C180 WeakPolarHBondContact O-CB 3.5Å; S177-C180 PolarHBondContact O-N 3.05Å; L178-C180 VanDerWaalsContact C-N 3.33Å; L178-C180 PolarHBondContact O-N 3.45Å; C180-K182 PolarHBondContact O-N 2.86Å; C180-Q183 PolarHBondContact O-N 3.08Å; C180-Y184 WeakPolarHBondContact O-CB 3.35Å; C180-Y184 PolarHBondContact O-N 3.32Å
181R86.8Confident85.1Confident11 Ų1132.5 Ų32.54%0.04216%0.155CC..Hα-helixtrans-64.7-37.4177.9-64.4-168.9-56.1-105.65.9112.8A173 H175 E176 S177 L178 E179 Y184 S185 H219 S223A173-R181 WeakPolarHBondContact O-CD 3.46Å; H175-R181 VanDerWaalsContact O-CD 3.29Å; H175-R181 WeakPolarHBondContact O-CD 3.37Å; H175-R181 PolarHBondContact O-NH1 2.73Å; E176-R181 PolarHBondContact O-NH1 3.43Å; S177-R181 PolarHBondContact O-N 2.61Å; L178-R181 PolarHBondContact O-N 3.48Å; E179-R181 PolarHBondContact O-N 3.4Å; R181-Y184 PolarHBondContact O-N 3.35Å; R181-S185 PolarHBondContact O-N 2.95Å; R181-H219 PolarHBondContact NH2-O 2.92Å; R181-S223 WeakPolarHBondContact CD-OG 3.49Å; R181-S223 PolarHBondContact NE-OG 3.2Å
182K85.1Confident84.9Confident64 Ų6429.9 Ų29.928%0.27814%0.144SC..Hα-helixtrans-64.9-42.4173.1-76.9172.6174171.60112.3L178 E179 C180 Y184 S185 H226L178-K182 HydrophobicContact CD1-CG 4.4Å; L178-K182 HydrophobicContact CG-CD 4.17Å; L178-K182 HydrophobicContact CG-CG 4.46Å; L178-K182 WeakPolarHBondContact O-CG 3.44Å; L178-K182 PolarHBondContact O-N 3.16Å; E179-K182 PolarHBondContact O-N 3.13Å; C180-K182 PolarHBondContact O-N 2.86Å; K182-Y184 VanDerWaalsContact C-N 3.27Å; K182-Y184 PolarHBondContact O-N 3.47Å; K182-S185 PolarHBondContact O-N 3.33Å; K182-S185 PolarHBondContact O-OG 3.03Å; K182-H226 WeakPolarHBondContact CE-NE2 3.49Å
183Q86.1Confident84.5Confident60 Ų6030.7 Ų30.728%0.2815%0.15SC..Hα-helixtrans-67.3-33.9175.7-67.1-1807.800111.5P145 E179 C180 C187P145-Q183 HydrophobicContact CB-CB 3.51Å; P145-Q183 HydrophobicContact CG-CB 4.14Å; E179-Q183 WeakPolarHBondContact O-CG 3.32Å; E179-Q183 PolarHBondContact O-N 3.09Å; E179-Q183 PolarHBondContact OE1-NE2 3.01Å; E179-Q183 VanDerWaalsContact OE1-NE2 3.08Å; C180-Q183 PolarHBondContact O-N 3.08Å; Q183-C187 PolarHBondContact O-N 3.01Å; Q183-C187 PolarHBondContact O-SG 3.17Å; Q183-C187 VanDerWaalsContact O-SG 3.36Å
184Y90.4Very high84.4Confident0 Ų031.9 Ų31.90%016%0.156CC..Hα-helixtrans-69.3-31.5174.1-168.6-114.7000113I148 S169 F170 I172 A173 C180 R181 K182 I186 C187 L188 Y227I148-Y184 HydrophobicContact CD1-CE2 4.21Å; S169-Y184 VanDerWaalsContact C-OH 3.24Å; S169-Y184 PolarHBondContact O-OH 2.8Å; S169-Y184 WeakPolarHBondContact OG-CE2 3.48Å; S169-Y184 PolarHBondContact OG-OH 3.39Å; F170-Y184 WeakPolarHBondContact CA-OH 3.37Å; F170-Y184 HydrophobicContact CD2-CE1 4.44Å; F170-Y184 PolarHBondContact N-OH 3.43Å; I172-Y184 HydrophobicContact CB-CD1 4.27Å; I172-Y184 HydrophobicContact CB-CD2 3.97Å; I172-Y184 HydrophobicContact CB-CE2 4.26Å; I172-Y184 HydrophobicContact CB-CG 3.99Å; I172-Y184 HydrophobicContact CD1-CD2 3.94Å; I172-Y184 HydrophobicContact CD1-CE2 4.02Å; I172-Y184 HydrophobicContact CG2-CD1 4.35Å; I172-Y184 HydrophobicContact CG2-CD2 3.92Å; I172-Y184 HydrophobicContact CG2-CG 3.74Å; A173-Y184 HydrophobicContact CB-CD1 4.28Å; A173-Y184 HydrophobicContact CB-CE1 4.22Å; C180-Y184 WeakPolarHBondContact O-CB 3.35Å; C180-Y184 PolarHBondContact O-N 3.32Å; R181-Y184 PolarHBondContact O-N 3.35Å; K182-Y184 VanDerWaalsContact C-N 3.27Å; K182-Y184 PolarHBondContact O-N 3.47Å; Y184-I186 VanDerWaalsContact C-N 3.28Å; Y184-I186 PolarHBondContact O-N 2.81Å; Y184-C187 HydrophobicContact CD2-CB 4.2Å; Y184-C187 WeakPolarHBondContact O-CA 3.36Å; Y184-C187 VanDerWaalsContact O-CB 3.27Å; Y184-C187 WeakPolarHBondContact O-CB 3.47Å; Y184-C187 PolarHBondContact O-N 3.5Å; Y184-L188 HydrophobicContact CD1-CD1 4.37Å; Y184-L188 HydrophobicContact CD1-CG 4.28Å; Y184-L188 HydrophobicContact CE1-CD1 4.12Å; Y184-L188 HydrophobicContact CE1-CD2 3.89Å; Y184-L188 HydrophobicContact CE1-CG 3.96Å; Y184-L188 PolarHBondContact O-N 3.33Å; Y184-Y227 HydrophobicContact CD1-CE1 4.2Å
185S86.7Confident84.2Confident2 Ų228.2 Ų28.21%0.01414%0.14CC..Hα-helixtrans-62.2-37.9176.669.60000112.4R181 K182 C187 L188 G189 E230R181-S185 PolarHBondContact O-N 2.95Å; K182-S185 PolarHBondContact O-N 3.33Å; K182-S185 PolarHBondContact O-OG 3.03Å; S185-C187 VanDerWaalsContact C-N 3.27Å; S185-C187 PolarHBondContact O-N 3.46Å; S185-L188 PolarHBondContact O-N 3.05Å; S185-G189 PolarHBondContact O-N 2.97Å; S185-E230 WeakPolarHBondContact O-CB 3.44Å; S185-E230 WeakPolarHBondContact OG-CG 3.5Å
186I85.1Confident83.6Confident19 Ų1930.5 Ų30.510%0.09716%0.157CC..Hα-helixtrans-61-40.7173.6-59.6170000110.1V112 F115 Y184 G189 M190V112-I186 HydrophobicContact CG1-CD1 4.31Å; F115-I186 HydrophobicContact CE2-CG2 4.15Å; F115-I186 HydrophobicContact CZ-CG2 3.86Å; Y184-I186 VanDerWaalsContact C-N 3.28Å; Y184-I186 PolarHBondContact O-N 2.81Å; I186-G189 PolarHBondContact O-N 3.3Å; I186-M190 WeakPolarHBondContact O-CG 3.35Å; I186-M190 PolarHBondContact O-N 3.3Å
187C87.8Confident83.4Confident0 Ų023.5 Ų23.50%013%0.127CC..Hα-helixtrans-62.1-43.9176.6-58.80000111.3P145 I148 L152 Q183 Y184 S185 G189 M190 M191P145-C187 PolarHBondContact O-SG 3.48Å; I148-C187 HydrophobicContact CG2-CB 3.79Å; L152-C187 HydrophobicContact CD1-CB 4.29Å; Q183-C187 PolarHBondContact O-N 3.01Å; Q183-C187 PolarHBondContact O-SG 3.17Å; Q183-C187 VanDerWaalsContact O-SG 3.36Å; Y184-C187 HydrophobicContact CD2-CB 4.2Å; Y184-C187 WeakPolarHBondContact O-CA 3.36Å; Y184-C187 VanDerWaalsContact O-CB 3.27Å; Y184-C187 WeakPolarHBondContact O-CB 3.47Å; Y184-C187 PolarHBondContact O-N 3.5Å; S185-C187 VanDerWaalsContact C-N 3.27Å; S185-C187 PolarHBondContact O-N 3.46Å; C187-G189 VanDerWaalsContact C-N 3.35Å; C187-G189 PolarHBondContact O-N 2.94Å; C187-M190 PolarHBondContact O-N 2.94Å; C187-M191 HydrophobicContact CB-CE 4.29Å; C187-M191 VanDerWaalsContact O-CG 3.28Å; C187-M191 WeakPolarHBondContact O-CG 3.45Å; C187-M191 PolarHBondContact O-N 3.37Å
188L87.1Confident83Confident0 Ų027.3 Ų27.30%015%0.145CC..Hα-helixtrans-61.5-41.5175.3-66-176.3000112.3L166 Y184 S185 M190 M191 A192 Y227L166-L188 HydrophobicContact CD1-CD2 3.35Å; Y184-L188 HydrophobicContact CD1-CD1 4.37Å; Y184-L188 HydrophobicContact CD1-CG 4.28Å; Y184-L188 HydrophobicContact CE1-CD1 4.12Å; Y184-L188 HydrophobicContact CE1-CD2 3.89Å; Y184-L188 HydrophobicContact CE1-CG 3.96Å; Y184-L188 PolarHBondContact O-N 3.33Å; S185-L188 PolarHBondContact O-N 3.05Å; L188-M190 VanDerWaalsContact C-N 3.32Å; L188-M190 PolarHBondContact O-N 3.31Å; L188-M191 HydrophobicContact CD2-SD 4.13Å; L188-M191 PolarHBondContact O-N 3.14Å; L188-A192 WeakPolarHBondContact O-CB 3Å; L188-A192 PolarHBondContact O-N 3.15Å; L188-Y227 HydrophobicContact CD1-CD1 3.52Å; L188-Y227 HydrophobicContact CD1-CE1 3.93Å; L188-Y227 HydrophobicContact CD1-CG 3.93Å
189G81.4Confident82.8Confident1 Ų133.3 Ų33.31%0.0117%0.165CC..Hα-helixtrans-60.8-40.4174.400000112.7S185 I186 C187 S193 N234S185-G189 PolarHBondContact O-N 2.97Å; I186-G189 PolarHBondContact O-N 3.3Å; C187-G189 VanDerWaalsContact C-N 3.35Å; C187-G189 PolarHBondContact O-N 2.94Å; G189-S193 PolarHBondContact O-N 3.4Å; G189-S193 VanDerWaalsContact O-N 3.14Å; G189-S193 PolarHBondContact O-OG 3.43Å; G189-N234 PolarHBondContact O-ND2 3.12Å
190M83.8Confident82.8Confident0 Ų028.4 Ų28.40%014%0.142CC..Hα-helixtrans-67-42.5174.3-70.4179.277.900112.1F115 F117 R149 L152 I186 C187 L188 S193 L194F115-M190 HydrophobicContact CD1-CE 3.59Å; F115-M190 HydrophobicContact CD1-CG 4.42Å; F115-M190 HydrophobicContact CD1-SD 4.02Å; F115-M190 HydrophobicContact CD2-CG 3.83Å; F115-M190 HydrophobicContact CD2-SD 4.39Å; F115-M190 HydrophobicContact CE1-CE 3.67Å; F115-M190 HydrophobicContact CE1-CG 4.26Å; F115-M190 HydrophobicContact CE1-SD 3.55Å; F115-M190 VanDerWaalsContact CE1-SD 3.55Å; F115-M190 HydrophobicContact CE2-CG 3.64Å; F115-M190 HydrophobicContact CE2-SD 3.96Å; F115-M190 HydrophobicContact CG-CE 4.09Å; F115-M190 HydrophobicContact CG-CG 4.22Å; F115-M190 HydrophobicContact CG-SD 4.41Å; F115-M190 HydrophobicContact CZ-CE 4.22Å; F115-M190 HydrophobicContact CZ-CG 3.87Å; F115-M190 HydrophobicContact CZ-SD 3.51Å; F115-M190 VanDerWaalsContact CZ-SD 3.51Å; F117-M190 HydrophobicContact CE1-CE 3.99Å; R149-M190 HydrophobicContact CG-SD 3.76Å; L152-M190 HydrophobicContact CB-CB 4.24Å; L152-M190 HydrophobicContact CB-CE 3.66Å; L152-M190 HydrophobicContact CB-SD 4.31Å; L152-M190 HydrophobicContact CD1-CB 3.87Å; I186-M190 WeakPolarHBondContact O-CG 3.35Å; I186-M190 PolarHBondContact O-N 3.3Å; C187-M190 PolarHBondContact O-N 2.94Å; L188-M190 VanDerWaalsContact C-N 3.32Å; L188-M190 PolarHBondContact O-N 3.31Å; M190-S193 WeakPolarHBondContact O-CB 3.25Å; M190-S193 PolarHBondContact O-N 3.35Å; M190-L194 WeakPolarHBondContact O-CG 3.01Å; M190-L194 PolarHBondContact O-N 3.18Å; M190-L194 VanDerWaalsContact O-N 3.08Å
191M87.2Confident82.5Confident0 Ų028.7 Ų28.70%014%0.144CC..Hα-helixtrans-60-46.5175.8-67.5175.3-163.100111.3I148 L152 I162 L165 L166 C187 L188 S193 L194 A195 F200I148-M191 HydrophobicContact CG2-CE 3.8Å; L152-M191 HydrophobicContact CD1-CE 4.08Å; L152-M191 HydrophobicContact CD1-CG 3.76Å; L152-M191 HydrophobicContact CD2-CG 3.92Å; I162-M191 HydrophobicContact CG2-CB 3.79Å; I162-M191 HydrophobicContact CG2-CG 3.97Å; L165-M191 HydrophobicContact CD2-CE 3.92Å; L165-M191 HydrophobicContact CG-CE 3.74Å; L166-M191 HydrophobicContact CB-SD 3.99Å; L166-M191 HydrophobicContact CD1-SD 4.16Å; C187-M191 HydrophobicContact CB-CE 4.29Å; C187-M191 VanDerWaalsContact O-CG 3.28Å; C187-M191 WeakPolarHBondContact O-CG 3.45Å; C187-M191 PolarHBondContact O-N 3.37Å; L188-M191 HydrophobicContact CD2-SD 4.13Å; L188-M191 PolarHBondContact O-N 3.14Å; M191-S193 PolarHBondContact O-N 2.93Å; M191-L194 PolarHBondContact O-N 2.85Å; M191-A195 PolarHBondContact O-N 3.16Å; M191-F200 HydrophobicContact CB-CE2 3.9Å; M191-F200 HydrophobicContact CB-CZ 3.64Å
192A81.2Confident82.2Confident5 Ų529.9 Ų29.94%0.04116%0.159CC..Hα-helixtrans-62.3-29.217700000113.3L188 F200 L231 L245L188-A192 WeakPolarHBondContact O-CB 3Å; L188-A192 PolarHBondContact O-N 3.15Å; A192-F200 VanDerWaalsContact CA-CE1 3.48Å; A192-F200 HydrophobicContact CB-CE1 3.83Å; A192-F200 HydrophobicContact CB-CZ 4.45Å; A192-L231 HydrophobicContact CB-CD2 3.59Å; A192-L245 HydrophobicContact CB-CD2 4.11Å
193S78.1Confident82.2Confident17 Ų1727.6 Ų27.612%0.11915%0.151CC..Hα-helixtrans-77.2-25175.3-56.40000112.9G189 M190 M191G189-S193 PolarHBondContact O-N 3.4Å; G189-S193 VanDerWaalsContact O-N 3.14Å; G189-S193 PolarHBondContact O-OG 3.43Å; M190-S193 WeakPolarHBondContact O-CB 3.25Å; M190-S193 PolarHBondContact O-N 3.35Å; M191-S193 PolarHBondContact O-N 2.93Å
194L81.1Confident82.1Confident29 Ų2924.8 Ų24.815%0.15214%0.138CC..Hα-helixtrans-98-26.1-175.8-71.5176.5000113.9F117 R120 L152 I162 M190 M191 P196F117-L194 HydrophobicContact CB-CD2 4.29Å; F117-L194 HydrophobicContact CD1-CD1 4.37Å; F117-L194 HydrophobicContact CD1-CD2 3.67Å; F117-L194 HydrophobicContact CD1-CG 4.29Å; F117-L194 HydrophobicContact CD2-CD2 3.74Å; F117-L194 HydrophobicContact CE1-CD1 3.95Å; F117-L194 HydrophobicContact CE1-CD2 3.8Å; F117-L194 HydrophobicContact CE1-CG 3.91Å; F117-L194 HydrophobicContact CE2-CD2 3.86Å; F117-L194 HydrophobicContact CE2-CG 4.19Å; F117-L194 HydrophobicContact CG-CD2 3.64Å; F117-L194 HydrophobicContact CZ-CD1 4.32Å; F117-L194 HydrophobicContact CZ-CD2 3.9Å; F117-L194 HydrophobicContact CZ-CG 3.86Å; R120-L194 VanDerWaalsContact NH1-CD2 3.27Å; L152-L194 HydrophobicContact CB-CD1 4.1Å; L152-L194 HydrophobicContact CD2-CD1 3.82Å; I162-L194 HydrophobicContact CD1-CB 3.54Å; M190-L194 WeakPolarHBondContact O-CG 3.01Å; M190-L194 PolarHBondContact O-N 3.18Å; M190-L194 VanDerWaalsContact O-N 3.08Å; M191-L194 PolarHBondContact O-N 2.85Å; L194-P196 WeakPolarHBondContact O-CD 3.34Å
195A78.8Confident81.7Confident1 Ų127.5 Ų27.51%0.00815%0.15CC..  trans-118.280.4179.900000111.6E159 I162 M191 S197 F200E159-A195 HydrophobicContact CG-CB 3.97Å; I162-A195 HydrophobicContact CB-CB 4.16Å; I162-A195 HydrophobicContact CD1-CB 4.15Å; I162-A195 HydrophobicContact CG2-CB 3.75Å; M191-A195 PolarHBondContact O-N 3.16Å; A195-S197 VanDerWaalsContact C-N 3.25Å; A195-S197 PolarHBondContact O-N 2.98Å; A195-S197 VanDerWaalsContact O-N 3.09Å; A195-F200 HydrophobicContact CB-CB 4.16Å; A195-F200 HydrophobicContact CB-CD1 4.49Å; A195-F200 HydrophobicContact CB-CD2 3.88Å; A195-F200 HydrophobicContact CB-CE2 4.45Å; A195-F200 HydrophobicContact CB-CG 3.91Å
196P69.5Low81.6Confident74 Ų7433.2 Ų33.248%0.48118%0.176SC..  trans-84.446.5-176.937-37.7000113.2L194 H242L194-P196 WeakPolarHBondContact O-CD 3.34Å; P196-H242 PolarHBondContact O-CD2 3Å; P196-H242 VanDerWaalsContact O-CD2 3.31Å; P196-H242 PolarHBondContact O-NE2 3.47Å
197S76.5Confident81.5Confident26 Ų2634.6 Ų34.618%0.18218%0.183CC..  trans-103.7151.417363.50000113.9E159 A195 R199 F200 V201E159-S197 WeakPolarHBondContact OE1-CB 3.5Å; E159-S197 PolarHBondContact OE1-N 3.42Å; E159-S197 PolarHBondContact OE1-OG 3.43Å; A195-S197 VanDerWaalsContact C-N 3.25Å; A195-S197 PolarHBondContact O-N 2.98Å; A195-S197 VanDerWaalsContact O-N 3.09Å; S197-R199 PolarHBondContact O-N 2.89Å; S197-F200 PolarHBondContact O-N 3.39Å; S197-F200 VanDerWaalsContact O-N 3.13Å; S197-F200 PolarHBondContact OG-N 2.96Å; S197-V201 WeakPolarHBondContact O-CG2 3Å; S197-V201 PolarHBondContact O-N 3.04Å
198D75.3Confident81.3Confident114 Ų11434.7 Ų34.761%0.6118%0.183SC*.Hα-helixtrans-57.6-28.1170.2-74.2-39.7000112.3V201 G202 H242D198-V201 PolarHBondContact O-N 2.88Å; D198-G202 PolarHBondContact O-N 2.89Å; D198-H242 PolarHBondContact N-NE2 3.25Å; D198-H242 IonicContact OD1-CE1 4Å; D198-H242 PolarHBondContact OD1-CE1 3.11Å; D198-H242 IonicContact OD1-ND1 2.66Å; D198-H242 PolarHBondContact OD1-ND1 3.45Å; D198-H242 IonicContact OD1-NE2 3.9Å; D198-H242 IonicContact OD2-CE1 2.74Å
199R80.1Confident80.9Confident170 Ų17036.3 Ų36.364%0.64220%0.196SC*.Hα-helixtrans-68-46.7175.9-171.6-179.6177.6-169.2-2.8111.5I163 S197 V201 G202 S203I163-R199 HydrophobicContact CD1-CG 4.38Å; S197-R199 PolarHBondContact O-N 2.89Å; R199-V201 VanDerWaalsContact C-N 3.33Å; R199-G202 PolarHBondContact O-N 3.28Å; R199-S203 PolarHBondContact O-N 3.41Å
200F83.8Confident80.8Confident1 Ų138.2 Ų38.20%0.00421%0.206CC..Hα-helixtrans-61.3-43.9173179.1-90.6000110.9I162 I163 L166 M191 A192 A195 S197 G202 S203 I204I162-F200 HydrophobicContact CG2-CD2 4.38Å; I162-F200 HydrophobicContact CG2-CE2 4.04Å; I163-F200 HydrophobicContact CG1-CB 4.3Å; I163-F200 HydrophobicContact CG1-CD2 4.01Å; L166-F200 HydrophobicContact CB-CE2 4.32Å; L166-F200 HydrophobicContact CD2-CD2 4.21Å; L166-F200 HydrophobicContact CD2-CE2 3.71Å; L166-F200 HydrophobicContact CD2-CZ 4.19Å; M191-F200 HydrophobicContact CB-CE2 3.9Å; M191-F200 HydrophobicContact CB-CZ 3.64Å; A192-F200 VanDerWaalsContact CA-CE1 3.48Å; A192-F200 HydrophobicContact CB-CE1 3.83Å; A192-F200 HydrophobicContact CB-CZ 4.45Å; A195-F200 HydrophobicContact CB-CB 4.16Å; A195-F200 HydrophobicContact CB-CD1 4.49Å; A195-F200 HydrophobicContact CB-CD2 3.88Å; A195-F200 HydrophobicContact CB-CE2 4.45Å; A195-F200 HydrophobicContact CB-CG 3.91Å; S197-F200 PolarHBondContact O-N 3.39Å; S197-F200 VanDerWaalsContact O-N 3.13Å; S197-F200 PolarHBondContact OG-N 2.96Å; F200-G202 VanDerWaalsContact C-N 3.32Å; F200-G202 PolarHBondContact O-N 2.89Å; F200-S203 PolarHBondContact O-N 3.46Å; F200-I204 HydrophobicContact CE1-CB 4.35Å; F200-I204 HydrophobicContact CE1-CD1 4.05Å; F200-I204 HydrophobicContact CE1-CG2 4.31Å; F200-I204 HydrophobicContact CZ-CD1 4.09Å; F200-I204 WeakPolarHBondContact O-CG2 3.49Å; F200-I204 PolarHBondContact O-N 2.99Å
201V80.6Confident80.5Confident9 Ų938.3 Ų38.36%0.05521%0.206CC..Hα-helixtrans-59.9-41.1176.5173.90000111.8S197 D198 R199 I204 K205 H242 L245S197-V201 WeakPolarHBondContact O-CG2 3Å; S197-V201 PolarHBondContact O-N 3.04Å; D198-V201 PolarHBondContact O-N 2.88Å; R199-V201 VanDerWaalsContact C-N 3.33Å; V201-I204 WeakPolarHBondContact O-CG2 3.4Å; V201-K205 HydrophobicContact CG1-CD 3.98Å; V201-K205 VanDerWaalsContact O-CB 3.31Å; V201-K205 WeakPolarHBondContact O-CB 3.31Å; V201-K205 WeakPolarHBondContact O-CG 3.44Å; V201-K205 PolarHBondContact O-N 3.29Å; V201-K205 VanDerWaalsContact O-N 3.12Å; V201-H242 HydrophobicContact CG2-CB 4.06Å; V201-L245 HydrophobicContact CG1-CB 4.12Å; V201-L245 HydrophobicContact CG1-CD1 4.27Å; V201-L245 HydrophobicContact CG2-CB 4.11Å; V201-L245 HydrophobicContact CG2-CD2 4.4Å
202G81.3Confident79.9Confident36 Ų3641 Ų4137%0.37122%0.219SC..Hα-helixtrans-63-50.7174.400000111.7D198 R199 F200 I204 K205 E206D198-G202 PolarHBondContact O-N 2.89Å; R199-G202 PolarHBondContact O-N 3.28Å; F200-G202 VanDerWaalsContact C-N 3.32Å; F200-G202 PolarHBondContact O-N 2.89Å; G202-I204 PolarHBondContact O-N 3.39Å; G202-K205 PolarHBondContact O-N 3.43Å; G202-E206 WeakPolarHBondContact O-CB 3.45Å; G202-E206 PolarHBondContact O-N 3.32Å
203S83.7Confident79.3Confident16 Ų1648.2 Ų48.211%0.11225%0.252CS..Hα-helixtrans-59.4-47.2179.9178.20000112.7R199 F200 K205 E206 Q207R199-S203 PolarHBondContact O-N 3.41Å; F200-S203 PolarHBondContact O-N 3.46Å; S203-K205 PolarHBondContact O-N 3.14Å; S203-E206 PolarHBondContact O-N 2.82Å; S203-Q207 WeakPolarHBondContact O-CB 3.31Å; S203-Q207 VanDerWaalsContact O-CG 3.27Å; S203-Q207 WeakPolarHBondContact O-CG 3.21Å; S203-Q207 PolarHBondContact O-N 3.19Å
204I85.3Confident78.6Confident0 Ų055 Ų550%028%0.28CS..Hα-helixtrans-67.8-37.1-180-162.5171.4000111.7L166 F200 V201 G202 Q207 L208 L231 L245L166-I204 HydrophobicContact CD2-CB 4.15Å; F200-I204 HydrophobicContact CE1-CB 4.35Å; F200-I204 HydrophobicContact CE1-CD1 4.05Å; F200-I204 HydrophobicContact CE1-CG2 4.31Å; F200-I204 HydrophobicContact CZ-CD1 4.09Å; F200-I204 WeakPolarHBondContact O-CG2 3.49Å; F200-I204 PolarHBondContact O-N 2.99Å; V201-I204 WeakPolarHBondContact O-CG2 3.4Å; G202-I204 PolarHBondContact O-N 3.39Å; I204-Q207 PolarHBondContact O-N 3.38Å; I204-L208 HydrophobicContact CG1-CD1 4.03Å; I204-L208 HydrophobicContact CG1-CG 4.29Å; I204-L208 WeakPolarHBondContact O-CB 3.21Å; I204-L208 VanDerWaalsContact O-CG 3.23Å; I204-L208 WeakPolarHBondContact O-CG 3.45Å; I204-L208 PolarHBondContact O-N 3.45Å; I204-L231 HydrophobicContact CD1-CD1 4.23Å; I204-L231 HydrophobicContact CD1-CD2 3.92Å; I204-L245 HydrophobicContact CG2-CD1 3.73Å; I204-L245 HydrophobicContact CG2-CD2 4.3Å
205K82.3Confident77.3Confident58 Ų5856 Ų5625%0.25229%0.285SS..Hα-helixtrans-63.4-43.4175.2-79.3175.7178178.40111.5V201 G202 S203 A209 A244 L245V201-K205 HydrophobicContact CG1-CD 3.98Å; V201-K205 VanDerWaalsContact O-CB 3.31Å; V201-K205 WeakPolarHBondContact O-CB 3.31Å; V201-K205 WeakPolarHBondContact O-CG 3.44Å; V201-K205 PolarHBondContact O-N 3.29Å; V201-K205 VanDerWaalsContact O-N 3.12Å; G202-K205 PolarHBondContact O-N 3.43Å; S203-K205 PolarHBondContact O-N 3.14Å; K205-A209 VanDerWaalsContact O-CB 3.26Å; K205-A209 WeakPolarHBondContact O-CB 3.07Å; K205-A209 PolarHBondContact O-N 2.98Å; K205-A244 PolarHBondContact NZ-O 2.82Å; K205-L245 HydrophobicContact CG-CD1 4.32Å
206E84.2Confident76Confident122 Ų12260.1 Ų60.157%0.5733%0.328SS*.Hα-helixtrans-64.2-45.8176.7-173.3179.8179.800111.5G202 S203 A209 N210G202-E206 WeakPolarHBondContact O-CB 3.45Å; G202-E206 PolarHBondContact O-N 3.32Å; S203-E206 PolarHBondContact O-N 2.82Å; E206-A209 PolarHBondContact O-N 3.46Å; E206-N210 WeakPolarHBondContact O-CB 3.49Å; E206-N210 PolarHBondContact O-N 3.05Å; E206-N210 PolarHBondContact O-ND2 3.25Å
207Q83.1Confident75Confident48 Ų4858.9 Ų58.922%0.22432%0.32CS..Hα-helixtrans-64.9-41.4178.1-68.9-64-13.100112.5F170 S203 I204 N210 L211F170-Q207 HydrophobicContact CD1-CB 4.09Å; F170-Q207 HydrophobicContact CD1-CG 4.42Å; F170-Q207 VanDerWaalsContact CD1-OE1 3.28Å; F170-Q207 HydrophobicContact CD2-CB 3.98Å; F170-Q207 HydrophobicContact CD2-CG 4.48Å; F170-Q207 HydrophobicContact CE1-CB 3.8Å; F170-Q207 WeakPolarHBondContact CE1-O 3.46Å; F170-Q207 HydrophobicContact CE2-CB 3.68Å; F170-Q207 HydrophobicContact CG-CB 4.2Å; F170-Q207 HydrophobicContact CG-CG 4.4Å; F170-Q207 HydrophobicContact CZ-CB 3.6Å; F170-Q207 VanDerWaalsContact CZ-O 3.25Å; F170-Q207 WeakPolarHBondContact CZ-O 3.19Å; S203-Q207 WeakPolarHBondContact O-CB 3.31Å; S203-Q207 VanDerWaalsContact O-CG 3.27Å; S203-Q207 WeakPolarHBondContact O-CG 3.21Å; S203-Q207 PolarHBondContact O-N 3.19Å; I204-Q207 PolarHBondContact O-N 3.38Å; Q207-N210 WeakPolarHBondContact O-CB 3.46Å; Q207-N210 PolarHBondContact O-N 2.78Å; Q207-L211 PolarHBondContact O-N 2.85Å
208L82.6Confident73.8Confident2 Ų266.5 Ų66.51%0.0135%0.353CS..Hα-helixtrans-68.8-33175-69.5174.1000112.5I204 L211 Q212 L224 Y227 F228 L231I204-L208 HydrophobicContact CG1-CD1 4.03Å; I204-L208 HydrophobicContact CG1-CG 4.29Å; I204-L208 WeakPolarHBondContact O-CB 3.21Å; I204-L208 VanDerWaalsContact O-CG 3.23Å; I204-L208 WeakPolarHBondContact O-CG 3.45Å; I204-L208 PolarHBondContact O-N 3.45Å; L208-L211 HydrophobicContact CD2-CD2 4.5Å; L208-L211 PolarHBondContact O-N 2.93Å; L208-Q212 PolarHBondContact O-N 3.25Å; L208-Q212 VanDerWaalsContact O-N 3.16Å; L208-L224 HydrophobicContact CD2-CD2 4.16Å; L208-Y227 HydrophobicContact CD2-CD2 3.79Å; L208-Y227 HydrophobicContact CD2-CG 4.11Å; L208-F228 HydrophobicContact CD1-CE1 3.98Å; L208-L231 HydrophobicContact CD1-CD1 4.01Å
209A79.4Confident72.9Confident33 Ų3366.5 Ų66.527%0.27335%0.349SS..Hα-helixtrans-67.2-43.6171.300000111.2K205 E206 L211 Q212 E213K205-A209 VanDerWaalsContact O-CB 3.26Å; K205-A209 WeakPolarHBondContact O-CB 3.07Å; K205-A209 PolarHBondContact O-N 2.98Å; E206-A209 PolarHBondContact O-N 3.46Å; A209-L211 VanDerWaalsContact C-N 3.27Å; A209-L211 PolarHBondContact O-N 2.66Å; A209-Q212 WeakPolarHBondContact O-CA 3.32Å; A209-Q212 WeakPolarHBondContact O-CB 3.26Å; A209-Q212 PolarHBondContact O-N 3.36Å; A209-E213 PolarHBondContact O-N 2.89Å
210N78.7Confident72.4Confident41 Ų4158.9 Ų58.922%0.21932%0.321CS..Hα-helixtrans-59.6-37.7174-73.3-27.6000112.1E206 Q207 Q212 E213 K214E206-N210 WeakPolarHBondContact O-CB 3.49Å; E206-N210 PolarHBondContact O-N 3.05Å; E206-N210 PolarHBondContact O-ND2 3.25Å; Q207-N210 WeakPolarHBondContact O-CB 3.46Å; Q207-N210 PolarHBondContact O-N 2.78Å; N210-Q212 VanDerWaalsContact C-N 3.3Å; N210-E213 PolarHBondContact O-N 3.3Å; N210-K214 WeakPolarHBondContact O-CB 3.39Å; N210-K214 WeakPolarHBondContact O-CG 3.43Å; N210-K214 PolarHBondContact O-N 2.95Å
211L77.6Confident72Confident2 Ų261 Ų611%0.0133%0.333CS..Hα-helixtrans-64.9-34.2174-177.566.3000112.1F170 A173 F174 Q207 L208 A209 L224 Y227F170-L211 HydrophobicContact CE1-CB 4.41Å; F170-L211 HydrophobicContact CZ-CB 4.21Å; A173-L211 HydrophobicContact CB-CD2 4.38Å; F174-L211 HydrophobicContact CD1-CD1 3.72Å; F174-L211 HydrophobicContact CE1-CD1 3.34Å; F174-L211 HydrophobicContact CE2-CD1 4.21Å; F174-L211 HydrophobicContact CG-CD1 4.31Å; F174-L211 HydrophobicContact CZ-CB 4.44Å; F174-L211 HydrophobicContact CZ-CD1 3.62Å; Q207-L211 PolarHBondContact O-N 2.85Å; L208-L211 HydrophobicContact CD2-CD2 4.5Å; L208-L211 PolarHBondContact O-N 2.93Å; A209-L211 VanDerWaalsContact C-N 3.27Å; A209-L211 PolarHBondContact O-N 2.66Å; L211-L224 HydrophobicContact CB-CD2 4.47Å; L211-L224 HydrophobicContact CD2-CD2 3.68Å; L211-L224 HydrophobicContact CD2-CG 4.01Å; L211-L224 HydrophobicContact CG-CD2 4.21Å; L211-L224 HydrophobicContact CG-CG 4.46Å; L211-Y227 HydrophobicContact CD2-CD2 3.89Å; L211-Y227 HydrophobicContact CD2-CE2 3.6Å
212Q74.7Confident71.9Confident56 Ų5663.6 Ų63.626%0.26235%0.345SS..Hα-helixtrans-71.3-37.1173.6-75.7177.7-7.200112.7L208 A209 N210 L224L208-Q212 PolarHBondContact O-N 3.25Å; L208-Q212 VanDerWaalsContact O-N 3.16Å; A209-Q212 WeakPolarHBondContact O-CA 3.32Å; A209-Q212 WeakPolarHBondContact O-CB 3.26Å; A209-Q212 PolarHBondContact O-N 3.36Å; N210-Q212 VanDerWaalsContact C-N 3.3Å; Q212-L224 HydrophobicContact CG-CD1 3.36Å; Q212-L224 HydrophobicContact CG-CD2 3.99Å; Q212-L224 HydrophobicContact CG-CG 4.34Å
213E69.2Low71.8Confident158 Ų15862 Ų6274%0.73833%0.328SS*.Hα-helixtrans-82.9-42.8-176.1-71.4-176.2-17900114A209 N210A209-E213 PolarHBondContact O-N 2.89Å; N210-E213 PolarHBondContact O-N 3.3Å
214K63.4Low71.7Confident160 Ų16061.2 Ų61.270%0.69632%0.322SS*.Hα-helixtrans-75.4-24.3-172.6-73.2-176.8177.8177.70114N210N210-K214 WeakPolarHBondContact O-CB 3.39Å; N210-K214 WeakPolarHBondContact O-CG 3.43Å; N210-K214 PolarHBondContact O-N 2.95Å
215D53.2Low71.6Confident49 Ų4961.2 Ų61.226%0.26232%0.322SS..  trans-126.582.9-170.4-131.6-22.1000111.2S217 S220D215-S217 PolarHBondContact O-N 2.72Å; D215-S217 VanDerWaalsContact O-N 3.15Å; D215-S217 WeakPolarHBondContact OD1-CB 3.29Å; D215-S217 PolarHBondContact OD1-OG 3.19Å; D215-S220 PolarHBondContact O-OG 2.65Å
216G51.1Low71.6Confident88 Ų8859.9 Ų59.991%0.90732%0.317SS*.  trans-70.38.2168.500000113.9
217S49.6Very low71.6Confident47 Ų4754.1 Ų54.133%0.32929%0.29SS..SBendtrans-87.6151179.275.50000111.8D215 H219 S220D215-S217 PolarHBondContact O-N 2.72Å; D215-S217 VanDerWaalsContact O-N 3.15Å; D215-S217 WeakPolarHBondContact OD1-CB 3.29Å; D215-S217 PolarHBondContact OD1-OG 3.19Å; S217-H219 PolarHBondContact O-N 3.29Å; S217-S220 PolarHBondContact O-N 3.39Å; S217-S220 PolarHBondContact O-OG 2.84Å
218H51.4Low71.6Confident186 Ų18651.9 Ų51.986%0.86128%0.279SS*.THydrogen-bonded Turntrans-55.2-10.7-174-78.4-77.1000116
219H54.6Low71.5Confident115 Ų11551.9 Ų51.953%0.53228%0.28SS..THydrogen-bonded Turntrans-81.5-15.4-175.6-60.5-39.3000114.7R181 S217 S223R181-H219 PolarHBondContact NH2-O 2.92Å; S217-H219 PolarHBondContact O-N 3.29Å; H219-S223 PolarHBondContact O-OG 2.74Å
220S70.5Confident71.5Confident9 Ų951 Ų516%0.06327%0.27CS..Hα-helixtrans-86-40.4-170.962.40000115D215 S217 S223 L224D215-S220 PolarHBondContact O-OG 2.65Å; S217-S220 PolarHBondContact O-N 3.39Å; S217-S220 PolarHBondContact O-OG 2.84Å; S220-S223 WeakPolarHBondContact O-CB 3.44Å; S220-S223 PolarHBondContact O-N 3.02Å; S220-L224 WeakPolarHBondContact O-CG 3.46Å; S220-L224 PolarHBondContact O-N 3.41Å
221N74.7Confident71.4Confident45 Ų4549.3 Ų49.324%0.24126%0.261CS..Hα-helixtrans-67.4-43.6-170.1-73.8-42.3000114.4S223 L224 L225 F256 R260 L266N221-S223 PolarHBondContact O-N 2.92Å; N221-L224 PolarHBondContact O-N 3.23Å; N221-L225 WeakPolarHBondContact O-CG 3.24Å; N221-L225 PolarHBondContact O-N 2.99Å; N221-L225 VanDerWaalsContact O-N 3.09Å; N221-F256 HydrophobicContact CB-CE1 4.01Å; N221-F256 WeakPolarHBondContact OD1-CE1 3.48Å; N221-R260 PolarHBondContact ND2-NH2 3.47Å; N221-L266 HydrophobicContact CB-CD1 3.69Å; N221-L266 HydrophobicContact CB-CD2 4.34Å
222E78.4Confident71.1Confident65 Ų6549.4 Ų49.430%0.30426%0.262SS..Hα-helixtrans-62-37.1177.1-169.8175.6177.200111.1L178 L225 H226 L266 M269L178-E222 HydrophobicContact CD1-CG 4.16Å; L178-E222 WeakPolarHBondContact CD2-OE1 3.26Å; E222-L225 WeakPolarHBondContact O-CB 3.04Å; E222-L225 PolarHBondContact O-N 3.43Å; E222-H226 PolarHBondContact O-CD2 3.32Å; E222-H226 PolarHBondContact O-N 2.91Å; E222-L266 HydrophobicContact CB-CD2 4.04Å; E222-M269 HydrophobicContact CG-CE 3.73Å; E222-M269 HydrophobicContact CG-SD 3.71Å
223S80.5Confident70.9Confident2 Ų247.4 Ų47.41%0.01425%0.252CS..Hα-helixtrans-68.5-43.6177.9-43.40000111.7R181 H219 S220 N221 L225 H226 Y227R181-S223 WeakPolarHBondContact CD-OG 3.49Å; R181-S223 PolarHBondContact NE-OG 3.2Å; H219-S223 PolarHBondContact O-OG 2.74Å; S220-S223 WeakPolarHBondContact O-CB 3.44Å; S220-S223 PolarHBondContact O-N 3.02Å; N221-S223 PolarHBondContact O-N 2.92Å; S223-L225 VanDerWaalsContact C-N 3.29Å; S223-L225 PolarHBondContact O-N 3.23Å; S223-H226 WeakPolarHBondContact O-CB 3.45Å; S223-H226 PolarHBondContact O-N 2.87Å; S223-H226 VanDerWaalsContact O-N 3.13Å; S223-Y227 WeakPolarHBondContact O-CD2 3.17Å; S223-Y227 VanDerWaalsContact O-CG 3.25Å; S223-Y227 PolarHBondContact O-N 3.09Å
224L82Confident70.4Confident0 Ų040.3 Ų40.30%022%0.22CC..Hα-helixtrans-58.5-40.5174.3-75.9164000112.1L208 L211 Q212 S220 N221 H226 Y227 F228 F256L208-L224 HydrophobicContact CD2-CD2 4.16Å; L211-L224 HydrophobicContact CB-CD2 4.47Å; L211-L224 HydrophobicContact CD2-CD2 3.68Å; L211-L224 HydrophobicContact CD2-CG 4.01Å; L211-L224 HydrophobicContact CG-CD2 4.21Å; L211-L224 HydrophobicContact CG-CG 4.46Å; Q212-L224 HydrophobicContact CG-CD1 3.36Å; Q212-L224 HydrophobicContact CG-CD2 3.99Å; Q212-L224 HydrophobicContact CG-CG 4.34Å; S220-L224 WeakPolarHBondContact O-CG 3.46Å; S220-L224 PolarHBondContact O-N 3.41Å; N221-L224 PolarHBondContact O-N 3.23Å; L224-H226 VanDerWaalsContact C-N 3.35Å; L224-Y227 PolarHBondContact O-N 3.44Å; L224-F228 HydrophobicContact CB-CD2 4.4Å; L224-F228 HydrophobicContact CB-CE2 4.01Å; L224-F228 HydrophobicContact CD2-CE2 4.22Å; L224-F228 HydrophobicContact CD2-CZ 4.33Å; L224-F228 WeakPolarHBondContact O-CD2 3.48Å; L224-F228 WeakPolarHBondContact O-CG 3.48Å; L224-F228 PolarHBondContact O-N 3.42Å; L224-F256 HydrophobicContact CB-CZ 4.26Å; L224-F256 HydrophobicContact CD1-CZ 4.16Å
225L81.4Confident69.7Low0 Ų033.8 Ų33.80%020%0.198CC..Hα-helixtrans-60.3-44.9174.6-70.3179.5000111.5N221 E222 S223 Y227 F228 A229 L253 F256 L266 M269 A270 M273N221-L225 WeakPolarHBondContact O-CG 3.24Å; N221-L225 PolarHBondContact O-N 2.99Å; N221-L225 VanDerWaalsContact O-N 3.09Å; E222-L225 WeakPolarHBondContact O-CB 3.04Å; E222-L225 PolarHBondContact O-N 3.43Å; S223-L225 VanDerWaalsContact C-N 3.29Å; S223-L225 PolarHBondContact O-N 3.23Å; L225-Y227 PolarHBondContact O-N 2.93Å; L225-F228 PolarHBondContact O-N 3Å; L225-A229 VanDerWaalsContact O-CB 3.28Å; L225-A229 WeakPolarHBondContact O-CB 3.44Å; L225-A229 PolarHBondContact O-N 2.77Å; L225-L253 HydrophobicContact CD2-CD2 3.75Å; L225-F256 HydrophobicContact CD2-CB 3.72Å; L225-F256 HydrophobicContact CD2-CD1 3.89Å; L225-F256 HydrophobicContact CD2-CD2 4.08Å; L225-F256 HydrophobicContact CD2-CG 3.64Å; L225-F256 HydrophobicContact CG-CD1 4.31Å; L225-L266 HydrophobicContact CD1-CB 4.3Å; L225-L266 HydrophobicContact CD1-CD2 4.02Å; L225-L266 WeakPolarHBondContact CD1-O 3.44Å; L225-M269 HydrophobicContact CB-CE 4.12Å; L225-M269 HydrophobicContact CD1-CB 4.07Å; L225-M269 HydrophobicContact CD1-CE 4.48Å; L225-M269 HydrophobicContact CD1-CG 3.95Å; L225-M269 HydrophobicContact CD1-SD 3.93Å; L225-A270 HydrophobicContact CD1-CB 4.27Å; L225-A270 HydrophobicContact CD2-CB 3.63Å; L225-M273 VanDerWaalsContact C-SD 3.59Å; L225-M273 HydrophobicContact CB-CE 4.36Å; L225-M273 HydrophobicContact CB-SD 3.66Å; L225-M273 VanDerWaalsContact O-SD 3.34Å
226H82.8Confident69.4Low30 Ų3034.8 Ų34.814%0.13921%0.209CC..Hα-helixtrans-61-41.9173.2-76.6-66000112.6K182 E222 S223 L224 A229 E230 M269 M273K182-H226 WeakPolarHBondContact CE-NE2 3.49Å; E222-H226 PolarHBondContact O-CD2 3.32Å; E222-H226 PolarHBondContact O-N 2.91Å; S223-H226 WeakPolarHBondContact O-CB 3.45Å; S223-H226 PolarHBondContact O-N 2.87Å; S223-H226 VanDerWaalsContact O-N 3.13Å; L224-H226 VanDerWaalsContact C-N 3.35Å; H226-A229 PolarHBondContact O-N 3.02Å; H226-E230 WeakPolarHBondContact O-CG 3.36Å; H226-E230 PolarHBondContact O-N 3.31Å; H226-M269 VanDerWaalsContact CD2-CE 3.5Å; H226-M269 WeakPolarHBondContact CD2-CE 3.42Å; H226-M269 WeakPolarHBondContact NE2-CE 3.48Å; H226-M273 HydrophobicContact CB-CE 4.32Å; H226-M273 VanDerWaalsContact ND1-CE 3.31Å; H226-M273 WeakPolarHBondContact ND1-CE 3.38Å
227Y84.3Confident69Low0 Ų034.2 Ų34.20%019%0.185CC..Hα-helixtrans-62.1-49.2175.9-58.4-37.1000111.7A173 Y184 L188 L208 L211 S223 L224 L225 A229 E230 L231A173-Y227 WeakPolarHBondContact CA-OH 3.46Å; A173-Y227 HydrophobicContact CB-CE2 4.1Å; Y184-Y227 HydrophobicContact CD1-CE1 4.2Å; L188-Y227 HydrophobicContact CD1-CD1 3.52Å; L188-Y227 HydrophobicContact CD1-CE1 3.93Å; L188-Y227 HydrophobicContact CD1-CG 3.93Å; L208-Y227 HydrophobicContact CD2-CD2 3.79Å; L208-Y227 HydrophobicContact CD2-CG 4.11Å; L211-Y227 HydrophobicContact CD2-CD2 3.89Å; L211-Y227 HydrophobicContact CD2-CE2 3.6Å; S223-Y227 WeakPolarHBondContact O-CD2 3.17Å; S223-Y227 VanDerWaalsContact O-CG 3.25Å; S223-Y227 PolarHBondContact O-N 3.09Å; L224-Y227 PolarHBondContact O-N 3.44Å; L225-Y227 PolarHBondContact O-N 2.93Å; Y227-A229 VanDerWaalsContact C-N 3.35Å; Y227-A229 PolarHBondContact O-N 3.42Å; Y227-E230 PolarHBondContact O-N 3.33Å; Y227-L231 VanDerWaalsContact O-CG 3.23Å; Y227-L231 WeakPolarHBondContact O-CG 3.08Å; Y227-L231 PolarHBondContact O-N 3.43Å; Y227-L231 VanDerWaalsContact O-N 3.11Å
228F83.1Confident68.7Low1 Ų133.3 Ų33.30%0.00418%0.176CC..Hα-helixtrans-64.5-38.2178.4-64-52.7000112.6L208 L224 L225 L231 T232 A249 R252 L253 F256L208-F228 HydrophobicContact CD1-CE1 3.98Å; L224-F228 HydrophobicContact CB-CD2 4.4Å; L224-F228 HydrophobicContact CB-CE2 4.01Å; L224-F228 HydrophobicContact CD2-CE2 4.22Å; L224-F228 HydrophobicContact CD2-CZ 4.33Å; L224-F228 WeakPolarHBondContact O-CD2 3.48Å; L224-F228 WeakPolarHBondContact O-CG 3.48Å; L224-F228 PolarHBondContact O-N 3.42Å; L225-F228 PolarHBondContact O-N 3Å; F228-L231 PolarHBondContact O-N 3.03Å; F228-T232 WeakPolarHBondContact O-CG2 2.82Å; F228-T232 PolarHBondContact O-N 2.89Å; F228-T232 PolarHBondContact O-OG1 3.46Å; F228-A249 HydrophobicContact CB-CB 4.2Å; F228-A249 HydrophobicContact CD1-CB 4.11Å; F228-R252 HydrophobicContact CD1-CB 4.24Å; F228-R252 HydrophobicContact CD2-CB 4.02Å; F228-R252 HydrophobicContact CE1-CB 4.04Å; F228-R252 HydrophobicContact CE1-CG 4.04Å; F228-R252 HydrophobicContact CE2-CB 3.82Å; F228-R252 HydrophobicContact CE2-CG 4.31Å; F228-R252 HydrophobicContact CG-CB 4.25Å; F228-R252 HydrophobicContact CZ-CB 3.84Å; F228-R252 HydrophobicContact CZ-CG 3.86Å; F228-L253 HydrophobicContact CB-CD1 4.31Å; F228-L253 HydrophobicContact CB-CD2 3.89Å; F228-L253 HydrophobicContact CB-CG 3.83Å; F228-F256 HydrophobicContact CD2-CE2 4.36Å; F228-F256 HydrophobicContact CE2-CD2 4.45Å; F228-F256 AromaticContact CE2-CE2 3.85Å; F228-F256 HydrophobicContact CE2-CE2 3.85Å
229A81.1Confident68.5Low2 Ų234.4 Ų34.42%0.01717%0.173CC..Hα-helixtrans-66.5-39.5177.300000112.9L225 H226 Y227 L231 T232 N233 M273L225-A229 VanDerWaalsContact O-CB 3.28Å; L225-A229 WeakPolarHBondContact O-CB 3.44Å; L225-A229 PolarHBondContact O-N 2.77Å; H226-A229 PolarHBondContact O-N 3.02Å; Y227-A229 VanDerWaalsContact C-N 3.35Å; Y227-A229 PolarHBondContact O-N 3.42Å; A229-L231 VanDerWaalsContact C-N 3.3Å; A229-L231 PolarHBondContact O-N 3.14Å; A229-T232 WeakPolarHBondContact CA-OG1 3.17Å; A229-T232 PolarHBondContact O-N 3.47Å; A229-T232 VanDerWaalsContact O-N 3.1Å; A229-T232 PolarHBondContact O-OG1 2.78Å; A229-N233 VanDerWaalsContact O-CB 3.25Å; A229-N233 WeakPolarHBondContact O-CB 3.31Å; A229-N233 PolarHBondContact O-N 3.28Å; A229-N233 PolarHBondContact O-ND2 3.43Å; A229-M273 HydrophobicContact CB-CB 3.99Å; A229-M273 HydrophobicContact CB-CE 3.56Å; A229-M273 HydrophobicContact CB-CG 3.86Å; A229-M273 HydrophobicContact CB-SD 3.68Å
230E79.6Confident67.8Low16 Ų1637.2 Ų37.28%0.07519%0.185CC..Hα-helixtrans-69.7-30176.3-69.6-60.5155.500112.2S185 H226 Y227 T232S185-E230 WeakPolarHBondContact O-CB 3.44Å; S185-E230 WeakPolarHBondContact OG-CG 3.5Å; H226-E230 WeakPolarHBondContact O-CG 3.36Å; H226-E230 PolarHBondContact O-N 3.31Å; Y227-E230 PolarHBondContact O-N 3.33Å; E230-T232 PolarHBondContact O-N 3.04Å
231L75.2Confident66.6Low5 Ų537.7 Ų37.73%0.02619%0.19CC..Hα-helixtrans-69.8-15.9171.1-64.6175.6000113.1A192 I204 L208 Y227 F228 A229 L238 L245 A249A192-L231 HydrophobicContact CB-CD2 3.59Å; I204-L231 HydrophobicContact CD1-CD1 4.23Å; I204-L231 HydrophobicContact CD1-CD2 3.92Å; L208-L231 HydrophobicContact CD1-CD1 4.01Å; Y227-L231 VanDerWaalsContact O-CG 3.23Å; Y227-L231 WeakPolarHBondContact O-CG 3.08Å; Y227-L231 PolarHBondContact O-N 3.43Å; Y227-L231 VanDerWaalsContact O-N 3.11Å; F228-L231 PolarHBondContact O-N 3.03Å; A229-L231 VanDerWaalsContact C-N 3.3Å; A229-L231 PolarHBondContact O-N 3.14Å; L231-L238 WeakPolarHBondContact O-CD1 3.44Å; L231-L245 HydrophobicContact CD1-CD1 4.22Å; L231-L245 HydrophobicContact CD1-CG 4.4Å; L231-L245 HydrophobicContact CD2-CD2 3.96Å; L231-A249 HydrophobicContact CB-CB 4.23Å
232T73.2Confident65.7Low4 Ų438.1 Ų38.13%0.02519%0.191CC..Hα-helixtrans-103.3-26.1176.159.40000114F228 A229 E230 Y246 A249 V250 L253 T277F228-T232 WeakPolarHBondContact O-CG2 2.82Å; F228-T232 PolarHBondContact O-N 2.89Å; F228-T232 PolarHBondContact O-OG1 3.46Å; A229-T232 WeakPolarHBondContact CA-OG1 3.17Å; A229-T232 PolarHBondContact O-N 3.47Å; A229-T232 VanDerWaalsContact O-N 3.1Å; A229-T232 PolarHBondContact O-OG1 2.78Å; E230-T232 PolarHBondContact O-N 3.04Å; T232-Y246 HydrophobicContact CG2-CD2 3.82Å; T232-Y246 HydrophobicContact CG2-CE2 3.82Å; T232-A249 HydrophobicContact CG2-CB 3.69Å; T232-V250 HydrophobicContact CG2-CG2 4.07Å; T232-L253 HydrophobicContact CG2-CD1 4.36Å; T232-T277 WeakPolarHBondContact CB-OG1 3.4Å; T232-T277 HydrophobicContact CG2-CG2 4.29Å; T232-T277 PolarHBondContact OG1-OG1 3.1Å
233N68.8Low65Low13 Ų1337.4 Ų37.47%0.0720%0.201CC..Hα-helixtrans-84.6-17.6-168.4-77.8-12.2000116.4A229 G235 T277 I280A229-N233 VanDerWaalsContact O-CB 3.25Å; A229-N233 WeakPolarHBondContact O-CB 3.31Å; A229-N233 PolarHBondContact O-N 3.28Å; A229-N233 PolarHBondContact O-ND2 3.43Å; N233-G235 PolarHBondContact O-N 3.46Å; N233-T277 PolarHBondContact OD1-OG1 3.39Å; N233-I280 HydrophobicContact CB-CD1 3.75Å; N233-I280 WeakPolarHBondContact OD1-CD1 3.31Å
234N58.7Low64.5Low9 Ų939.3 Ų39.35%0.04822%0.216CC..  trans-75.657.7-179.8-75.7-45.3000113G189 S236 L237 L238G189-N234 PolarHBondContact O-ND2 3.12Å; N234-S236 VanDerWaalsContact C-N 3.28Å; N234-S236 PolarHBondContact O-N 3.19Å; N234-S236 VanDerWaalsContact O-N 3.11Å; N234-L237 PolarHBondContact O-N 3.02Å; N234-L238 HydrophobicContact CB-CD1 3.53Å; N234-L238 HydrophobicContact CB-CG 3.71Å; N234-L238 WeakPolarHBondContact O-CB 3.46Å; N234-L238 WeakPolarHBondContact O-CG 3.49Å; N234-L238 PolarHBondContact O-N 3.04Å
235G48.8Very low64.1Low24 Ų2439.9 Ų39.925%0.24722%0.219CC..THydrogen-bonded Turntrans-68.7-7.7-16600000117.4N233N233-G235 PolarHBondContact O-N 3.46Å
236S46.8Very low63.8Low70 Ų7041 Ų4149%0.4922%0.224SC..THydrogen-bonded Turntrans-88.4-34.5176.758.50000113.4N234N234-S236 VanDerWaalsContact C-N 3.28Å; N234-S236 PolarHBondContact O-N 3.19Å; N234-S236 VanDerWaalsContact O-N 3.11Å
237L44.3Very low63.5Low75 Ų7541.7 Ų41.739%0.39323%0.227SC..THydrogen-bonded Turntrans-103.4-30.3176.7-84125000113.2F115 F117 N234 R239 H240F115-L237 WeakPolarHBondContact O-CD1 3.39Å; F117-L237 HydrophobicContact CD2-CD1 3.58Å; F117-L237 HydrophobicContact CD2-CD2 3.9Å; F117-L237 HydrophobicContact CD2-CG 4.33Å; F117-L237 HydrophobicContact CE2-CD1 3.7Å; F117-L237 HydrophobicContact CE2-CD2 4.36Å; F117-L237 HydrophobicContact CE2-CG 4.48Å; N234-L237 PolarHBondContact O-N 3.02Å; L237-R239 PolarHBondContact O-N 3.18Å; L237-H240 PolarHBondContact O-N 3.37Å
238L43.5Very low63.3Low29 Ų2943.3 Ų43.315%0.15223%0.234CC..THydrogen-bonded Turntrans-69.52.3177-64.8172.7000114.1L231 N234 H240 A241L231-L238 WeakPolarHBondContact O-CD1 3.44Å; N234-L238 HydrophobicContact CB-CD1 3.53Å; N234-L238 HydrophobicContact CB-CG 3.71Å; N234-L238 WeakPolarHBondContact O-CB 3.46Å; N234-L238 WeakPolarHBondContact O-CG 3.49Å; N234-L238 PolarHBondContact O-N 3.04Å; L238-H240 PolarHBondContact O-N 3.2Å; L238-A241 HydrophobicContact CB-CB 4.27Å; L238-A241 HydrophobicContact CD2-CB 3.24Å; L238-A241 HydrophobicContact CG-CB 4.28Å; L238-A241 PolarHBondContact O-N 2.94Å
239R45.8Very low63.3Low209 Ų20943.2 Ų43.279%0.78923%0.234SC*.THydrogen-bonded Turntrans-55.1-23.8164.7-78.3-169.1-173.3-179.13111.7L237L237-R239 PolarHBondContact O-N 3.18Å
240H41.3Very low63.3Low173 Ų17343.2 Ų43.280%0.80123%0.234SC*.SBendtrans-114.2-12.5-179.5-60.595000114.9L237 L238L237-H240 PolarHBondContact O-N 3.37Å; L238-H240 PolarHBondContact O-N 3.2Å
241A43.6Very low63.4Low19 Ų1942.6 Ų42.616%0.15723%0.231CC..SBendtrans-79132.2178.800000110.4L238 G243L238-A241 HydrophobicContact CB-CB 4.27Å; L238-A241 HydrophobicContact CD2-CB 3.24Å; L238-A241 HydrophobicContact CG-CB 4.28Å; L238-A241 PolarHBondContact O-N 2.94Å; A241-G243 PolarHBondContact O-N 3.35Å
242H55.7Low63.8Low55 Ų5545.6 Ų45.626%0.25524%0.242SC..  trans-27.3118.1-167.1-76.8-83.3000116.3P196 D198 V201 A244 L245 Y246P196-H242 PolarHBondContact O-CD2 3Å; P196-H242 VanDerWaalsContact O-CD2 3.31Å; P196-H242 PolarHBondContact O-NE2 3.47Å; D198-H242 PolarHBondContact N-NE2 3.25Å; D198-H242 IonicContact OD1-CE1 4Å; D198-H242 PolarHBondContact OD1-CE1 3.11Å; D198-H242 IonicContact OD1-ND1 2.66Å; D198-H242 PolarHBondContact OD1-ND1 3.45Å; D198-H242 IonicContact OD1-NE2 3.9Å; D198-H242 IonicContact OD2-CE1 2.74Å; V201-H242 HydrophobicContact CG2-CB 4.06Å; H242-A244 PolarHBondContact O-N 3.34Å; H242-L245 PolarHBondContact O-N 3.46Å; H242-Y246 PolarHBondContact O-N 3.27Å
243G65.4Low64.3Low50 Ų5045.4 Ų45.452%0.51524%0.241SC..Hα-helixtrans-51.5-25.8169.100000113.5A241 E247A241-G243 PolarHBondContact O-N 3.35Å; G243-E247 WeakPolarHBondContact O-CB 3.17Å; G243-E247 PolarHBondContact O-N 3.09Å
244A68.9Low65.1Low41 Ų4144.9 Ų44.934%0.33924%0.239SC..Hα-helixtrans-74-28.3178.200000115.1K205 H242 H248K205-A244 PolarHBondContact NZ-O 2.82Å; H242-A244 PolarHBondContact O-N 3.34Å; A244-H248 WeakPolarHBondContact O-CB 3.43Å; A244-H248 PolarHBondContact O-N 3.24Å
245L73.5Confident66.2Low13 Ų1345.8 Ų45.87%0.06824%0.243CC..Hα-helixtrans-79.7-41.5173.8-174.762.6000109.8A192 V201 I204 K205 L231 H242 H248 A249A192-L245 HydrophobicContact CB-CD2 4.11Å; V201-L245 HydrophobicContact CG1-CB 4.12Å; V201-L245 HydrophobicContact CG1-CD1 4.27Å; V201-L245 HydrophobicContact CG2-CB 4.11Å; V201-L245 HydrophobicContact CG2-CD2 4.4Å; I204-L245 HydrophobicContact CG2-CD1 3.73Å; I204-L245 HydrophobicContact CG2-CD2 4.3Å; K205-L245 HydrophobicContact CG-CD1 4.32Å; L231-L245 HydrophobicContact CD1-CD1 4.22Å; L231-L245 HydrophobicContact CD1-CG 4.4Å; L231-L245 HydrophobicContact CD2-CD2 3.96Å; H242-L245 PolarHBondContact O-N 3.46Å; L245-H248 WeakPolarHBondContact O-CB 3.35Å; L245-H248 PolarHBondContact O-N 3.44Å; L245-A249 PolarHBondContact O-N 3.18Å
246Y76.5Confident67.8Low22 Ų2245.3 Ų45.39%0.08623%0.234CC..Hα-helixtrans-61.3-49.7174.4177.8-111.1000112.3T232 H242 H248 A249 V250 T277 R281 L288 F292T232-Y246 HydrophobicContact CG2-CD2 3.82Å; T232-Y246 HydrophobicContact CG2-CE2 3.82Å; H242-Y246 PolarHBondContact O-N 3.27Å; Y246-H248 VanDerWaalsContact C-N 3.26Å; Y246-H248 PolarHBondContact O-N 3.24Å; Y246-A249 PolarHBondContact O-N 2.93Å; Y246-A249 VanDerWaalsContact O-N 3.16Å; Y246-V250 HydrophobicContact CD1-CG2 4.43Å; Y246-V250 HydrophobicContact CD2-CG2 4.13Å; Y246-V250 HydrophobicContact CE1-CG2 4.07Å; Y246-V250 HydrophobicContact CE2-CG2 3.7Å; Y246-V250 HydrophobicContact CG-CG2 4.47Å; Y246-V250 WeakPolarHBondContact O-CG2 3.4Å; Y246-V250 PolarHBondContact O-N 3.24Å; Y246-T277 HydrophobicContact CE2-CG2 4.11Å; Y246-R281 VanDerWaalsContact CZ-NH1 3.27Å; Y246-R281 WeakPolarHBondContact OH-CD 3.45Å; Y246-R281 PolarHBondContact OH-NH1 3.46Å; Y246-L288 HydrophobicContact CE1-CD1 4.19Å; Y246-L288 WeakPolarHBondContact OH-CD1 2.96Å; Y246-F292 AromaticContact CD1-CE2 3.85Å; Y246-F292 HydrophobicContact CD1-CE2 3.85Å; Y246-F292 AromaticContact CD1-CZ 3.48Å; Y246-F292 HydrophobicContact CD1-CZ 3.48Å; Y246-F292 VanDerWaalsContact CD1-CZ 3.48Å; Y246-F292 AromaticContact CE1-CE2 3.4Å; Y246-F292 HydrophobicContact CE1-CE2 3.4Å; Y246-F292 AromaticContact CE1-CZ 3.47Å; Y246-F292 HydrophobicContact CE1-CZ 3.47Å; Y246-F292 VanDerWaalsContact CE1-CZ 3.47Å
247E76.4Confident69.6Low45 Ų4542 Ų4221%0.2121%0.211CC..Hα-helixtrans-54.3-46173.4177.3178.717900110.5G243 A249 V250 V251 F292 S295G243-E247 WeakPolarHBondContact O-CB 3.17Å; G243-E247 PolarHBondContact O-N 3.09Å; E247-A249 PolarHBondContact O-N 2.97Å; E247-V250 PolarHBondContact O-N 3.3Å; E247-V251 HydrophobicContact CG-CG2 4.3Å; E247-V251 WeakPolarHBondContact O-CB 3.49Å; E247-V251 WeakPolarHBondContact O-CG2 3.49Å; E247-V251 PolarHBondContact O-N 3.13Å; E247-F292 HydrophobicContact CB-CD1 3.88Å; E247-F292 HydrophobicContact CB-CE1 3.73Å; E247-F292 HydrophobicContact CB-CZ 4.48Å; E247-F292 HydrophobicContact CG-CD1 3.63Å; E247-F292 HydrophobicContact CG-CE1 4.03Å; E247-F292 HydrophobicContact CG-CG 4.36Å; E247-S295 WeakPolarHBondContact OE1-CB 3.37Å; E247-S295 PolarHBondContact OE1-OG 3.23Å
248H80.2Confident71.6Confident34 Ų3438.8 Ų38.816%0.15719%0.194CC..Hα-helixtrans-60.6-46.3177.7-175.581.3000112.3A244 L245 Y246 R252A244-H248 WeakPolarHBondContact O-CB 3.43Å; A244-H248 PolarHBondContact O-N 3.24Å; L245-H248 WeakPolarHBondContact O-CB 3.35Å; L245-H248 PolarHBondContact O-N 3.44Å; Y246-H248 VanDerWaalsContact C-N 3.26Å; Y246-H248 PolarHBondContact O-N 3.24Å; H248-R252 WeakPolarHBondContact O-CB 3.41Å; H248-R252 VanDerWaalsContact O-CG 3.25Å; H248-R252 WeakPolarHBondContact O-CG 3.38Å; H248-R252 PolarHBondContact O-N 3.07Å
249A81.1Confident73.3Confident0 Ų039.3 Ų39.30%020%0.202CC..Hα-helixtrans-64.8-46.2179.600000112F228 L231 T232 L245 Y246 E247 V251 R252 L253F228-A249 HydrophobicContact CB-CB 4.2Å; F228-A249 HydrophobicContact CD1-CB 4.11Å; L231-A249 HydrophobicContact CB-CB 4.23Å; T232-A249 HydrophobicContact CG2-CB 3.69Å; L245-A249 PolarHBondContact O-N 3.18Å; Y246-A249 PolarHBondContact O-N 2.93Å; Y246-A249 VanDerWaalsContact O-N 3.16Å; E247-A249 PolarHBondContact O-N 2.97Å; A249-V251 PolarHBondContact O-N 3.46Å; A249-R252 PolarHBondContact O-N 3.27Å; A249-L253 WeakPolarHBondContact O-CB 3.35Å; A249-L253 WeakPolarHBondContact O-CG 3.05Å; A249-L253 PolarHBondContact O-N 3.03Å
250V82.2Confident74.9Confident2 Ų232.4 Ų32.41%0.01218%0.176CC..Hα-helixtrans-61.6-45.1177.4169.40000111.4T232 Y246 E247 L253 S254 L288 F292T232-V250 HydrophobicContact CG2-CG2 4.07Å; Y246-V250 HydrophobicContact CD1-CG2 4.43Å; Y246-V250 HydrophobicContact CD2-CG2 4.13Å; Y246-V250 HydrophobicContact CE1-CG2 4.07Å; Y246-V250 HydrophobicContact CE2-CG2 3.7Å; Y246-V250 HydrophobicContact CG-CG2 4.47Å; Y246-V250 WeakPolarHBondContact O-CG2 3.4Å; Y246-V250 PolarHBondContact O-N 3.24Å; E247-V250 PolarHBondContact O-N 3.3Å; V250-L253 PolarHBondContact O-N 3.21Å; V250-S254 WeakPolarHBondContact O-CB 3.39Å; V250-S254 PolarHBondContact O-N 3.2Å; V250-S254 PolarHBondContact O-OG 3.36Å; V250-L288 HydrophobicContact CG1-CD1 4.13Å; V250-L288 HydrophobicContact CG1-CD2 3.76Å; V250-L288 HydrophobicContact CG1-CG 3.89Å; V250-L288 HydrophobicContact CG2-CD1 4.14Å; V250-L288 HydrophobicContact CG2-CD2 4.39Å; V250-F292 HydrophobicContact CG1-CD2 4.09Å
251V82.4Confident76.4Confident3 Ų328 Ų282%0.01816%0.163CC..Hα-helixtrans-61-46.2176.21620000110.6E247 A249 S254 I255 L296 Y299E247-V251 HydrophobicContact CG-CG2 4.3Å; E247-V251 WeakPolarHBondContact O-CB 3.49Å; E247-V251 WeakPolarHBondContact O-CG2 3.49Å; E247-V251 PolarHBondContact O-N 3.13Å; A249-V251 PolarHBondContact O-N 3.46Å; V251-S254 WeakPolarHBondContact O-CB 3.49Å; V251-S254 PolarHBondContact O-N 2.99Å; V251-I255 HydrophobicContact CG1-CD1 3.78Å; V251-I255 VanDerWaalsContact O-CG1 3.25Å; V251-I255 WeakPolarHBondContact O-CG1 3.38Å; V251-I255 PolarHBondContact O-N 2.91Å; V251-L296 HydrophobicContact CB-CD2 4.48Å; V251-L296 HydrophobicContact CG2-CD2 3.99Å; V251-L296 HydrophobicContact CG2-CG 4.39Å; V251-Y299 HydrophobicContact CB-CE2 4.4Å; V251-Y299 HydrophobicContact CG1-CD2 3.26Å; V251-Y299 HydrophobicContact CG1-CE1 4.45Å; V251-Y299 HydrophobicContact CG1-CE2 3.15Å; V251-Y299 HydrophobicContact CG1-CG 4.04Å; V251-Y299 HydrophobicContact CG2-CE2 4.45Å
252R83.4Confident77.6Confident67 Ų6731.3 Ų31.325%0.25318%0.183SC..Hα-helixtrans-64-46.8178.4-73.5-62.6-167.2-176.44.9111.5F228 H248 A249 S254 I255 F256F228-R252 HydrophobicContact CD1-CB 4.24Å; F228-R252 HydrophobicContact CD2-CB 4.02Å; F228-R252 HydrophobicContact CE1-CB 4.04Å; F228-R252 HydrophobicContact CE1-CG 4.04Å; F228-R252 HydrophobicContact CE2-CB 3.82Å; F228-R252 HydrophobicContact CE2-CG 4.31Å; F228-R252 HydrophobicContact CG-CB 4.25Å; F228-R252 HydrophobicContact CZ-CB 3.84Å; F228-R252 HydrophobicContact CZ-CG 3.86Å; H248-R252 WeakPolarHBondContact O-CB 3.41Å; H248-R252 VanDerWaalsContact O-CG 3.25Å; H248-R252 WeakPolarHBondContact O-CG 3.38Å; H248-R252 PolarHBondContact O-N 3.07Å; A249-R252 PolarHBondContact O-N 3.27Å; R252-S254 VanDerWaalsContact C-N 3.26Å; R252-S254 PolarHBondContact O-N 3.44Å; R252-I255 WeakPolarHBondContact O-CB 3.34Å; R252-I255 PolarHBondContact O-N 3.42Å; R252-I255 VanDerWaalsContact O-N 3.07Å; R252-F256 VanDerWaalsContact O-CD2 3.27Å; R252-F256 WeakPolarHBondContact O-CD2 3.32Å; R252-F256 PolarHBondContact O-N 2.99Å
253L83.8Confident78.3Confident1 Ų134 Ų341%0.00521%0.208CC..Hα-helixtrans-54.7-44.9173.9-72.6171.5000111.2L225 F228 T232 A249 V250 I255 F256 T257 M273 M274L225-L253 HydrophobicContact CD2-CD2 3.75Å; F228-L253 HydrophobicContact CB-CD1 4.31Å; F228-L253 HydrophobicContact CB-CD2 3.89Å; F228-L253 HydrophobicContact CB-CG 3.83Å; T232-L253 HydrophobicContact CG2-CD1 4.36Å; A249-L253 WeakPolarHBondContact O-CB 3.35Å; A249-L253 WeakPolarHBondContact O-CG 3.05Å; A249-L253 PolarHBondContact O-N 3.03Å; V250-L253 PolarHBondContact O-N 3.21Å; L253-I255 VanDerWaalsContact C-N 3.34Å; L253-I255 PolarHBondContact O-N 2.88Å; L253-F256 WeakPolarHBondContact O-CB 3.48Å; L253-F256 PolarHBondContact O-N 2.96Å; L253-F256 VanDerWaalsContact O-N 3.16Å; L253-T257 PolarHBondContact O-N 3.29Å; L253-T257 PolarHBondContact O-OG1 3.17Å; L253-T257 VanDerWaalsContact O-OG1 3.14Å; L253-M273 HydrophobicContact CD2-CB 4.41Å; L253-M274 HydrophobicContact CB-CG 3.72Å; L253-M274 HydrophobicContact CB-SD 4Å; L253-M274 HydrophobicContact CD1-CG 4.15Å; L253-M274 HydrophobicContact CG-CG 4.5Å
254S84.5Confident79Confident2 Ų233.9 Ų33.91%0.01420%0.195CC..Hα-helixtrans-62.5-40176.8-55.10000112.2V250 V251 R252 T257 L258 M274 L296V250-S254 WeakPolarHBondContact O-CB 3.39Å; V250-S254 PolarHBondContact O-N 3.2Å; V250-S254 PolarHBondContact O-OG 3.36Å; V251-S254 WeakPolarHBondContact O-CB 3.49Å; V251-S254 PolarHBondContact O-N 2.99Å; R252-S254 VanDerWaalsContact C-N 3.26Å; R252-S254 PolarHBondContact O-N 3.44Å; S254-T257 PolarHBondContact O-N 3.19Å; S254-L258 WeakPolarHBondContact O-CB 3.37Å; S254-L258 VanDerWaalsContact O-CG 3.24Å; S254-L258 WeakPolarHBondContact O-CG 3.46Å; S254-L258 PolarHBondContact O-N 3.09Å; S254-M274 VanDerWaalsContact OG-CE 3.27Å; S254-M274 WeakPolarHBondContact OG-CE 3.31Å; S254-L296 WeakPolarHBondContact OG-CD2 3.36Å
255I82.5Confident79.6Confident28 Ų2841.9 Ų41.914%0.14422%0.217CC..Hα-helixtrans-64.8-42.7174.7-67.1160.7000110.5V251 R252 L253 T257 L258 A259 Y299V251-I255 HydrophobicContact CG1-CD1 3.78Å; V251-I255 VanDerWaalsContact O-CG1 3.25Å; V251-I255 WeakPolarHBondContact O-CG1 3.38Å; V251-I255 PolarHBondContact O-N 2.91Å; R252-I255 WeakPolarHBondContact O-CB 3.34Å; R252-I255 PolarHBondContact O-N 3.42Å; R252-I255 VanDerWaalsContact O-N 3.07Å; L253-I255 VanDerWaalsContact C-N 3.34Å; L253-I255 PolarHBondContact O-N 2.88Å; I255-T257 VanDerWaalsContact C-N 3.26Å; I255-T257 PolarHBondContact O-N 3.44Å; I255-L258 PolarHBondContact O-N 3.29Å; I255-A259 HydrophobicContact CG2-CB 4.34Å; I255-A259 WeakPolarHBondContact O-CB 3.49Å; I255-A259 PolarHBondContact O-N 3.47Å; I255-Y299 HydrophobicContact CD1-CD1 3.5Å; I255-Y299 VanDerWaalsContact CD1-CD1 3.5Å; I255-Y299 HydrophobicContact CD1-CD2 4.24Å; I255-Y299 HydrophobicContact CD1-CE1 3.96Å; I255-Y299 HydrophobicContact CD1-CG 3.63Å; I255-Y299 HydrophobicContact CG1-CD1 4.39Å; I255-Y299 HydrophobicContact CG1-CG 4.2Å
256F82.3Confident79.9Confident14 Ų1442.9 Ų42.96%0.06122%0.222CC..Hα-helixtrans-59.4-38.1177.5-91.8-86.9000112.1N221 L224 L225 F228 R252 L253 A270N221-F256 HydrophobicContact CB-CE1 4.01Å; N221-F256 WeakPolarHBondContact OD1-CE1 3.48Å; L224-F256 HydrophobicContact CB-CZ 4.26Å; L224-F256 HydrophobicContact CD1-CZ 4.16Å; L225-F256 HydrophobicContact CD2-CB 3.72Å; L225-F256 HydrophobicContact CD2-CD1 3.89Å; L225-F256 HydrophobicContact CD2-CD2 4.08Å; L225-F256 HydrophobicContact CD2-CG 3.64Å; L225-F256 HydrophobicContact CG-CD1 4.31Å; F228-F256 HydrophobicContact CD2-CE2 4.36Å; F228-F256 HydrophobicContact CE2-CD2 4.45Å; F228-F256 AromaticContact CE2-CE2 3.85Å; F228-F256 HydrophobicContact CE2-CE2 3.85Å; R252-F256 VanDerWaalsContact O-CD2 3.27Å; R252-F256 WeakPolarHBondContact O-CD2 3.32Å; R252-F256 PolarHBondContact O-N 2.99Å; L253-F256 WeakPolarHBondContact O-CB 3.48Å; L253-F256 PolarHBondContact O-N 2.96Å; L253-F256 VanDerWaalsContact O-N 3.16Å; F256-A270 HydrophobicContact CB-CB 3.98Å
257T85.2Confident80.2Confident0 Ų041.9 Ų41.90%022%0.219CC..Hα-helixtrans-71-48.8173.6-51.60000111.8L253 S254 I255 S267 A270 E271 H325 L329L253-T257 PolarHBondContact O-N 3.29Å; L253-T257 PolarHBondContact O-OG1 3.17Å; L253-T257 VanDerWaalsContact O-OG1 3.14Å; S254-T257 PolarHBondContact O-N 3.19Å; I255-T257 VanDerWaalsContact C-N 3.26Å; I255-T257 PolarHBondContact O-N 3.44Å; T257-S267 PolarHBondContact O-OG 2.98Å; T257-S267 VanDerWaalsContact O-OG 3.1Å; T257-A270 VanDerWaalsContact OG1-CB 3.29Å; T257-A270 WeakPolarHBondContact OG1-CB 3.3Å; T257-E271 HydrophobicContact CG2-CB 4.26Å; T257-H325 PolarHBondContact O-CE1 3.23Å; T257-L329 HydrophobicContact CG2-CD1 4.1Å; T257-L329 HydrophobicContact CG2-CD2 3.89Å
258L84.8Confident80.5Confident8 Ų844.1 Ų44.14%0.04223%0.229CC..Hα-helixtrans-81-29.7-169.9-66.4177.2000114.9S254 I255 R260 I300 L303 L322 H325 A326 L329 F330S254-L258 WeakPolarHBondContact O-CB 3.37Å; S254-L258 VanDerWaalsContact O-CG 3.24Å; S254-L258 WeakPolarHBondContact O-CG 3.46Å; S254-L258 PolarHBondContact O-N 3.09Å; I255-L258 PolarHBondContact O-N 3.29Å; L258-R260 PolarHBondContact O-N 3.37Å; L258-I300 HydrophobicContact CD1-CD1 3.92Å; L258-I300 HydrophobicContact CD1-CG1 3.86Å; L258-L303 HydrophobicContact CB-CD1 4.31Å; L258-L322 HydrophobicContact CB-CD1 4Å; L258-L322 WeakPolarHBondContact O-CD1 3.36Å; L258-H325 HydrophobicContact CD2-CB 4.33Å; L258-A326 HydrophobicContact CD1-CB 4.23Å; L258-A326 HydrophobicContact CD2-CB 3.94Å; L258-L329 HydrophobicContact CD2-CD2 4.09Å; L258-L329 HydrophobicContact CG-CD2 4.22Å; L258-F330 HydrophobicContact CD1-CE2 4.41Å
259A80.8Confident80.7Confident39 Ų3944 Ų4432%0.32223%0.229SC..THydrogen-bonded Turntrans-75.1-8.1-177.800000113.3I255 L303I255-A259 HydrophobicContact CG2-CB 4.34Å; I255-A259 WeakPolarHBondContact O-CB 3.49Å; I255-A259 PolarHBondContact O-N 3.47Å; A259-L303 HydrophobicContact CB-CD2 3.92Å
260R79Confident80.8Confident65 Ų6544 Ų4425%0.24523%0.229CC..SBendtrans-124.2154.7-176.1-63.5-164.4-17883.5-5.9110.5N221 L258 D264N221-R260 PolarHBondContact ND2-NH2 3.47Å; L258-R260 PolarHBondContact O-N 3.37Å; R260-D264 HydrophobicContact CB-CB 4.2Å; R260-D264 WeakPolarHBondContact CD-OD2 3.22Å; R260-D264 IonicContact NE-OD2 3.33Å
261P72.5Confident81Confident79 Ų7946.2 Ų46.251%0.51324%0.239SC..  trans-62.3147.5175.625.5-33.2000110.2S263 D264P261-S263 PolarHBondContact O-N 3.3Å; P261-D264 HydrophobicContact CG-CB 4.34Å; P261-D264 WeakPolarHBondContact O-CB 3.41Å; P261-D264 PolarHBondContact O-N 3.47Å
262P67.9Low81.1Confident89 Ų8952.6 Ų52.658%0.57826%0.263SS*.THydrogen-bonded Turntrans-62-17-178.323.5-33.4000113.7D264P262-D264 VanDerWaalsContact C-N 3.29Å
263S71.6Confident81.2Confident112 Ų11250.5 Ų50.578%0.78326%0.256SS*.THydrogen-bonded Turntrans-78.3-8.6173.359.10000114.1P261P261-S263 PolarHBondContact O-N 3.3Å
264D80.6Confident81.1Confident47 Ų4750.5 Ų50.525%0.25126%0.256SS..SBendtrans-75.6135.2179.4-175.931.6000111.3R260 P261 P262 L266 S267 E268R260-D264 HydrophobicContact CB-CB 4.2Å; R260-D264 WeakPolarHBondContact CD-OD2 3.22Å; R260-D264 IonicContact NE-OD2 3.33Å; P261-D264 HydrophobicContact CG-CB 4.34Å; P261-D264 WeakPolarHBondContact O-CB 3.41Å; P261-D264 PolarHBondContact O-N 3.47Å; P262-D264 VanDerWaalsContact C-N 3.29Å; D264-L266 PolarHBondContact O-N 2.74Å; D264-S267 WeakPolarHBondContact O-CB 3.28Å; D264-S267 PolarHBondContact O-N 2.99Å; D264-E268 PolarHBondContact O-N 3.36Å; D264-E268 VanDerWaalsContact O-N 3.12Å
265R81Confident81.2Confident209 Ų20954.8 Ų54.879%0.78928%0.276SS*.Hα-helixtrans-61-34.4-176.1-158.5-177.8-172-171.51.8111.8M269R265-M269 WeakPolarHBondContact O-CB 3.48Å; R265-M269 PolarHBondContact O-N 3.45Å; R265-M269 VanDerWaalsContact O-N 3.13Å
266L79.7Confident81.1Confident35 Ų3555.6 Ų55.618%0.18328%0.279CS..Hα-helixtrans-73.1-34.7177-65.4171000112.2N221 E222 L225 D264 M269 A270N221-L266 HydrophobicContact CB-CD1 3.69Å; N221-L266 HydrophobicContact CB-CD2 4.34Å; E222-L266 HydrophobicContact CB-CD2 4.04Å; L225-L266 HydrophobicContact CD1-CB 4.3Å; L225-L266 HydrophobicContact CD1-CD2 4.02Å; L225-L266 WeakPolarHBondContact CD1-O 3.44Å; D264-L266 PolarHBondContact O-N 2.74Å; L266-M269 PolarHBondContact O-N 2.99Å; L266-A270 WeakPolarHBondContact O-CB 3.36Å; L266-A270 PolarHBondContact O-N 3.25Å
267S82Confident80.9Confident1 Ų155 Ų551%0.00728%0.277CS..Hα-helixtrans-63.7-48.2175.1-178.40000111T257 D264 M269 A270 E271T257-S267 PolarHBondContact O-OG 2.98Å; T257-S267 VanDerWaalsContact O-OG 3.1Å; D264-S267 WeakPolarHBondContact O-CB 3.28Å; D264-S267 PolarHBondContact O-N 2.99Å; S267-M269 VanDerWaalsContact C-N 3.28Å; S267-M269 PolarHBondContact O-N 2.98Å; S267-A270 PolarHBondContact O-N 2.99Å; S267-E271 PolarHBondContact O-N 3.03Å
268E83.3Confident80.7Confident92 Ų9255.3 Ų55.343%0.4328%0.278SS..Hα-helixtrans-63.2-35.2177.7-164.4-163.1158.900111.9D264 R272D264-E268 PolarHBondContact O-N 3.36Å; D264-E268 VanDerWaalsContact O-N 3.12Å; E268-R272 WeakPolarHBondContact O-CB 3.27Å; E268-R272 WeakPolarHBondContact O-CG 3.33Å; E268-R272 PolarHBondContact O-N 3.4Å; E268-R272 PolarHBondContact O-NE 3.28Å; E268-R272 IonicContact OE1-CZ 2.81Å; E268-R272 VanDerWaalsContact OE1-CZ 3.28Å; E268-R272 IonicContact OE1-NE 3.86Å; E268-R272 IonicContact OE1-NH2 3.68Å; E268-R272 PolarHBondContact OE1-NH2 3.13Å; E268-R272 IonicContact OE2-NH2 2.84Å; E268-R272 PolarHBondContact OE2-NH2 3.29Å; E268-R272 VanDerWaalsContact OE2-NH2 3.14Å
269M83.1Confident80.4Confident30 Ų3063.5 Ų63.515%0.14831%0.309CS..Hα-helixtrans-68.3-45.1175-178.6175.9171.600112E222 L225 H226 R265 L266 S267 E271 R272 M273E222-M269 HydrophobicContact CG-CE 3.73Å; E222-M269 HydrophobicContact CG-SD 3.71Å; L225-M269 HydrophobicContact CB-CE 4.12Å; L225-M269 HydrophobicContact CD1-CB 4.07Å; L225-M269 HydrophobicContact CD1-CE 4.48Å; L225-M269 HydrophobicContact CD1-CG 3.95Å; L225-M269 HydrophobicContact CD1-SD 3.93Å; H226-M269 VanDerWaalsContact CD2-CE 3.5Å; H226-M269 WeakPolarHBondContact CD2-CE 3.42Å; H226-M269 WeakPolarHBondContact NE2-CE 3.48Å; R265-M269 WeakPolarHBondContact O-CB 3.48Å; R265-M269 PolarHBondContact O-N 3.45Å; R265-M269 VanDerWaalsContact O-N 3.13Å; L266-M269 PolarHBondContact O-N 2.99Å; S267-M269 VanDerWaalsContact C-N 3.28Å; S267-M269 PolarHBondContact O-N 2.98Å; M269-E271 VanDerWaalsContact C-N 3.34Å; M269-E271 PolarHBondContact O-N 3.34Å; M269-R272 PolarHBondContact O-N 3.01Å; M269-M273 HydrophobicContact CE-CE 3.69Å; M269-M273 HydrophobicContact CE-SD 4.14Å; M269-M273 HydrophobicContact CG-SD 4.23Å; M269-M273 WeakPolarHBondContact O-CG 3.41Å; M269-M273 PolarHBondContact O-N 2.9Å
270A84.6Confident80Confident0 Ų064.4 Ų64.40%031%0.308CS..Hα-helixtrans-61.5-42.8176.600000111.5L225 F256 T257 L266 S267 M273 M274L225-A270 HydrophobicContact CD1-CB 4.27Å; L225-A270 HydrophobicContact CD2-CB 3.63Å; F256-A270 HydrophobicContact CB-CB 3.98Å; T257-A270 VanDerWaalsContact OG1-CB 3.29Å; T257-A270 WeakPolarHBondContact OG1-CB 3.3Å; L266-A270 WeakPolarHBondContact O-CB 3.36Å; L266-A270 PolarHBondContact O-N 3.25Å; S267-A270 PolarHBondContact O-N 2.99Å; A270-M273 PolarHBondContact O-N 3.5Å; A270-M274 WeakPolarHBondContact O-CG 3.39Å; A270-M274 PolarHBondContact O-N 3.4Å
271E85Confident79.6Confident49 Ų4966.4 Ų66.423%0.22932%0.315CS..Hα-helixtrans-61.1-47.1175.5-176.3178.2177.100111.5T257 S267 M269 M273 M274 Q275 L329T257-E271 HydrophobicContact CG2-CB 4.26Å; S267-E271 PolarHBondContact O-N 3.03Å; M269-E271 VanDerWaalsContact C-N 3.34Å; M269-E271 PolarHBondContact O-N 3.34Å; E271-M273 VanDerWaalsContact C-N 3.28Å; E271-M273 PolarHBondContact O-N 3.32Å; E271-M274 PolarHBondContact O-N 3.12Å; E271-M274 VanDerWaalsContact O-N 3.16Å; E271-Q275 WeakPolarHBondContact O-CG 3.44Å; E271-Q275 PolarHBondContact O-N 3.38Å; E271-Q275 PolarHBondContact OE1-NE2 3.41Å; E271-L329 HydrophobicContact CB-CD1 4.49Å; E271-L329 HydrophobicContact CG-CD1 3.87Å
272R85.7Confident79.6Confident137 Ų13765.8 Ų65.852%0.51732%0.323SS..Hα-helixtrans-58.5-39.4175.5-80-174.3-95.2-173.7-11.7112.4E268 M269 Q275 E276E268-R272 WeakPolarHBondContact O-CB 3.27Å; E268-R272 WeakPolarHBondContact O-CG 3.33Å; E268-R272 PolarHBondContact O-N 3.4Å; E268-R272 PolarHBondContact O-NE 3.28Å; E268-R272 IonicContact OE1-CZ 2.81Å; E268-R272 VanDerWaalsContact OE1-CZ 3.28Å; E268-R272 IonicContact OE1-NE 3.86Å; E268-R272 IonicContact OE1-NH2 3.68Å; E268-R272 PolarHBondContact OE1-NH2 3.13Å; E268-R272 IonicContact OE2-NH2 2.84Å; E268-R272 PolarHBondContact OE2-NH2 3.29Å; E268-R272 VanDerWaalsContact OE2-NH2 3.14Å; M269-R272 PolarHBondContact O-N 3.01Å; R272-Q275 PolarHBondContact O-N 3Å; R272-E276 WeakPolarHBondContact O-CB 3.42Å; R272-E276 PolarHBondContact O-N 3.14Å
273M84.4Confident80.2Confident23 Ų2362.7 Ų62.711%0.11330%0.303CS..Hα-helixtrans-68.2-37.2176.7-73.7174.4144.200112.9L225 H226 A229 L253 M269 A270 E271 E276 T277L225-M273 VanDerWaalsContact C-SD 3.59Å; L225-M273 HydrophobicContact CB-CE 4.36Å; L225-M273 HydrophobicContact CB-SD 3.66Å; L225-M273 VanDerWaalsContact O-SD 3.34Å; H226-M273 HydrophobicContact CB-CE 4.32Å; H226-M273 VanDerWaalsContact ND1-CE 3.31Å; H226-M273 WeakPolarHBondContact ND1-CE 3.38Å; A229-M273 HydrophobicContact CB-CB 3.99Å; A229-M273 HydrophobicContact CB-CE 3.56Å; A229-M273 HydrophobicContact CB-CG 3.86Å; A229-M273 HydrophobicContact CB-SD 3.68Å; L253-M273 HydrophobicContact CD2-CB 4.41Å; M269-M273 HydrophobicContact CE-CE 3.69Å; M269-M273 HydrophobicContact CE-SD 4.14Å; M269-M273 HydrophobicContact CG-SD 4.23Å; M269-M273 WeakPolarHBondContact O-CG 3.41Å; M269-M273 PolarHBondContact O-N 2.9Å; A270-M273 PolarHBondContact O-N 3.5Å; E271-M273 VanDerWaalsContact C-N 3.28Å; E271-M273 PolarHBondContact O-N 3.32Å; M273-E276 PolarHBondContact O-N 2.96Å; M273-T277 WeakPolarHBondContact O-CB 3.48Å; M273-T277 PolarHBondContact O-N 3.16Å; M273-T277 PolarHBondContact O-OG1 3.19Å
274M83.3Confident80.8Confident2 Ų259.8 Ų59.81%0.0128%0.283CS..Hα-helixtrans-66.6-40.4173.1-70.2179.565.300111.8L253 S254 A270 E271 T277 C278 L285 L288 L329 F330L253-M274 HydrophobicContact CB-CG 3.72Å; L253-M274 HydrophobicContact CB-SD 4Å; L253-M274 HydrophobicContact CD1-CG 4.15Å; L253-M274 HydrophobicContact CG-CG 4.5Å; S254-M274 VanDerWaalsContact OG-CE 3.27Å; S254-M274 WeakPolarHBondContact OG-CE 3.31Å; A270-M274 WeakPolarHBondContact O-CG 3.39Å; A270-M274 PolarHBondContact O-N 3.4Å; E271-M274 PolarHBondContact O-N 3.12Å; E271-M274 VanDerWaalsContact O-N 3.16Å; M274-T277 WeakPolarHBondContact O-CB 3.48Å; M274-T277 PolarHBondContact O-N 3.27Å; M274-C278 WeakPolarHBondContact O-CB 3.41Å; M274-C278 PolarHBondContact O-N 3.37Å; M274-C278 PolarHBondContact O-SG 2.9Å; M274-L285 HydrophobicContact CB-CD2 3.84Å; M274-L285 HydrophobicContact CE-CD2 4Å; M274-L288 HydrophobicContact CE-CD2 4.37Å; M274-L329 HydrophobicContact CE-CD2 4.36Å; M274-L329 HydrophobicContact SD-CD2 4.42Å; M274-F330 HydrophobicContact CE-CE1 3.92Å; M274-F330 HydrophobicContact CE-CZ 4.42Å
275Q85.6Confident81Confident91 Ų9158 Ų5843%0.42527%0.273SS..Hα-helixtrans-62.9-42.3174.6-71.7175.54.400111.4E271 R272 C278 R279 L285E271-Q275 WeakPolarHBondContact O-CG 3.44Å; E271-Q275 PolarHBondContact O-N 3.38Å; E271-Q275 PolarHBondContact OE1-NE2 3.41Å; R272-Q275 PolarHBondContact O-N 3Å; Q275-C278 WeakPolarHBondContact O-CB 3.39Å; Q275-C278 PolarHBondContact O-N 3.06Å; Q275-R279 PolarHBondContact O-N 2.77Å; Q275-L285 HydrophobicContact CG-CD1 3.94Å
276E81.2Confident81.3Confident46 Ų4651.2 Ų51.222%0.21525%0.248CC..Hα-helixtrans-65.1-41.8176.2-174.457.5-160.400111.9R272 M273 C278 R279 I280R272-E276 WeakPolarHBondContact O-CB 3.42Å; R272-E276 PolarHBondContact O-N 3.14Å; M273-E276 PolarHBondContact O-N 2.96Å; E276-C278 VanDerWaalsContact C-N 3.26Å; E276-C278 PolarHBondContact O-N 3.39Å; E276-R279 WeakPolarHBondContact O-CB 3.22Å; E276-R279 PolarHBondContact O-N 3.11Å; E276-R279 VanDerWaalsContact O-N 3.13Å; E276-R279 IonicContact OE1-CZ 3.58Å; E276-R279 IonicContact OE1-NE 2.76Å; E276-R279 PolarHBondContact OE1-NE 3.24Å; E276-R279 VanDerWaalsContact OE1-NE 3.15Å; E276-R279 IonicContact OE1-NH2 2.69Å; E276-R279 PolarHBondContact OE1-NH2 3.19Å; E276-R279 IonicContact OE2-CZ 2.8Å; E276-R279 IonicContact OE2-NE 3.82Å; E276-R279 PolarHBondContact OE2-NE 2.84Å; E276-R279 IonicContact OE2-NH2 3.93Å; E276-I280 HydrophobicContact CG-CD1 4.1Å; E276-I280 WeakPolarHBondContact O-CG1 3.3Å; E276-I280 PolarHBondContact O-N 3Å
277T77.9Confident81.4Confident1 Ų157.4 Ų57.41%0.00627%0.269CS..Hα-helixtrans-56.2-43.6172.9-62.40000111.3T232 N233 Y246 M273 M274 R281T232-T277 WeakPolarHBondContact CB-OG1 3.4Å; T232-T277 HydrophobicContact CG2-CG2 4.29Å; T232-T277 PolarHBondContact OG1-OG1 3.1Å; N233-T277 PolarHBondContact OD1-OG1 3.39Å; Y246-T277 HydrophobicContact CE2-CG2 4.11Å; M273-T277 WeakPolarHBondContact O-CB 3.48Å; M273-T277 PolarHBondContact O-N 3.16Å; M273-T277 PolarHBondContact O-OG1 3.19Å; M274-T277 WeakPolarHBondContact O-CB 3.48Å; M274-T277 PolarHBondContact O-N 3.27Å; T277-R281 PolarHBondContact O-N 3.06Å
278C80.1Confident81.4Confident6 Ų657.4 Ų57.44%0.04127%0.269CS..Hα-helixtrans-65.4-42.6177.2-730000111.8M274 Q275 E276 I280 R281 G282 C283 L285M274-C278 WeakPolarHBondContact O-CB 3.41Å; M274-C278 PolarHBondContact O-N 3.37Å; M274-C278 PolarHBondContact O-SG 2.9Å; Q275-C278 WeakPolarHBondContact O-CB 3.39Å; Q275-C278 PolarHBondContact O-N 3.06Å; E276-C278 VanDerWaalsContact C-N 3.26Å; E276-C278 PolarHBondContact O-N 3.39Å; C278-I280 PolarHBondContact O-N 2.55Å; C278-R281 PolarHBondContact O-N 3.29Å; C278-G282 PolarHBondContact O-N 3.22Å; C278-C283 CarbonylContact C-O 3.49Å; C278-C283 VanDerWaalsContact CB-O 3.27Å; C278-C283 WeakPolarHBondContact CB-O 3.34Å; C278-C283 PolarHBondContact O-N 2.95Å; C278-L285 VanDerWaalsContact SG-CD2 3.59Å
279R78.9Confident81.5Confident180 Ų18053 Ų5368%0.67925%0.248SC*.Hα-helixtrans-58.6-45.8176.3-168.7-179.478.2110.22.9111.6Q275 E276 R281 G282Q275-R279 PolarHBondContact O-N 2.77Å; E276-R279 WeakPolarHBondContact O-CB 3.22Å; E276-R279 PolarHBondContact O-N 3.11Å; E276-R279 VanDerWaalsContact O-N 3.13Å; E276-R279 IonicContact OE1-CZ 3.58Å; E276-R279 IonicContact OE1-NE 2.76Å; E276-R279 PolarHBondContact OE1-NE 3.24Å; E276-R279 VanDerWaalsContact OE1-NE 3.15Å; E276-R279 IonicContact OE1-NH2 2.69Å; E276-R279 PolarHBondContact OE1-NH2 3.19Å; E276-R279 IonicContact OE2-CZ 2.8Å; E276-R279 IonicContact OE2-NE 3.82Å; E276-R279 PolarHBondContact OE2-NE 2.84Å; E276-R279 IonicContact OE2-NH2 3.93Å; R279-R281 PolarHBondContact O-N 2.95Å; R279-G282 PolarHBondContact O-N 3.33Å
280I72Confident81.5Confident58 Ų5855 Ų5530%0.29726%0.259SS..Hα-helixtrans-65.9-38.1-179-67.1165.7000111.9N233 E276 C278N233-I280 HydrophobicContact CB-CD1 3.75Å; N233-I280 WeakPolarHBondContact OD1-CD1 3.31Å; E276-I280 HydrophobicContact CG-CD1 4.1Å; E276-I280 WeakPolarHBondContact O-CG1 3.3Å; E276-I280 PolarHBondContact O-N 3Å; C278-I280 PolarHBondContact O-N 2.55Å
281R71.4Confident81.2Confident108 Ų10859.1 Ų59.141%0.40828%0.278SS..Hα-helixtrans-83-12.1178-66.8-170.988.7-161.14.4113.9Y246 T277 C278 R279 C283 E291Y246-R281 VanDerWaalsContact CZ-NH1 3.27Å; Y246-R281 WeakPolarHBondContact OH-CD 3.45Å; Y246-R281 PolarHBondContact OH-NH1 3.46Å; T277-R281 PolarHBondContact O-N 3.06Å; C278-R281 PolarHBondContact O-N 3.29Å; R279-R281 PolarHBondContact O-N 2.95Å; R281-C283 VanDerWaalsContact C-N 3.35Å; R281-E291 IonicContact NH1-OE1 3.48Å; R281-E291 IonicContact NH1-OE2 3.9Å
282G72.6Confident81.1Confident65 Ų6557.7 Ų57.767%0.6727%0.271SS*.THydrogen-bonded Turntrans66.634.8-171.800000112.9C278 R279C278-G282 PolarHBondContact O-N 3.22Å; R279-G282 PolarHBondContact O-N 3.33Å
283C80.7Confident81.1Confident25 Ų2551.4 Ų51.417%0.16925%0.249CC..  trans-118.1164.917565.30000111.5C278 R281 R287C278-C283 CarbonylContact C-O 3.49Å; C278-C283 VanDerWaalsContact CB-O 3.27Å; C278-C283 WeakPolarHBondContact CB-O 3.34Å; C278-C283 PolarHBondContact O-N 2.95Å; R281-C283 VanDerWaalsContact C-N 3.35Å; C283-R287 HydrophobicContact CB-CB 4.35Å; C283-R287 HydrophobicContact CB-CG 4.41Å
284S84.3Confident81.1Confident50 Ų5051.5 Ų51.535%0.3526%0.256SS..  trans-94159.2170.660.40000111R286 R287 L288S284-R286 PolarHBondContact O-N 3.26Å; S284-R287 PolarHBondContact O-N 3.38Å; S284-R287 PolarHBondContact OG-N 3.35Å; S284-L288 PolarHBondContact O-N 3.21Å
285L84.9Confident81.2Confident11 Ų1153 Ų536%0.05827%0.266CS..Hα-helixtrans-56.6-32.9171.3-73.6168.1000111.5M274 Q275 C278 L288 F289 L329M274-L285 HydrophobicContact CB-CD2 3.84Å; M274-L285 HydrophobicContact CE-CD2 4Å; Q275-L285 HydrophobicContact CG-CD1 3.94Å; C278-L285 VanDerWaalsContact SG-CD2 3.59Å; L285-L288 HydrophobicContact CD2-CD2 4.4Å; L285-L288 WeakPolarHBondContact O-CB 3.4Å; L285-L288 PolarHBondContact O-N 3.36Å; L285-F289 PolarHBondContact O-N 2.99Å; L285-L329 WeakPolarHBondContact CD1-O 3.38Å
286R85.7Confident81.3Confident65 Ų6548.9 Ų48.925%0.24525%0.247CC..Hα-helixtrans-60.3-47.2172.4177.256.3-174.7-138.120.3113S284 L288 F289 D290S284-R286 PolarHBondContact O-N 3.26Å; R286-L288 VanDerWaalsContact C-N 3.31Å; R286-L288 PolarHBondContact O-N 3.08Å; R286-F289 WeakPolarHBondContact O-CB 3.44Å; R286-F289 PolarHBondContact O-N 3.29Å; R286-D290 IonicContact CZ-OD1 2.68Å; R286-D290 IonicContact NE-OD1 2.82Å; R286-D290 PolarHBondContact NE-OD1 3.01Å; R286-D290 IonicContact NE-OD2 2.62Å; R286-D290 PolarHBondContact NE-OD2 3.24Å; R286-D290 IonicContact NH2-OD1 3.92Å; R286-D290 PolarHBondContact NH2-OD1 2.95Å; R286-D290 VanDerWaalsContact O-CG 3.32Å; R286-D290 PolarHBondContact O-N 2.87Å
287R82.1Confident81.8Confident166 Ų16646.7 Ų46.763%0.62624%0.237SC*.Hα-helixtrans-66.6-37.2178.7-176.7173.8178176.61.5111.3C283 S284 F289 D290 E291C283-R287 HydrophobicContact CB-CB 4.35Å; C283-R287 HydrophobicContact CB-CG 4.41Å; S284-R287 PolarHBondContact O-N 3.38Å; S284-R287 PolarHBondContact OG-N 3.35Å; R287-F289 VanDerWaalsContact C-N 3.35Å; R287-D290 PolarHBondContact O-N 3.37Å; R287-E291 PolarHBondContact O-N 3.18Å; R287-E291 VanDerWaalsContact O-N 3.11Å
288L81.6Confident82.3Confident1 Ų150.3 Ų50.31%0.00525%0.253CS..Hα-helixtrans-62.4-43174.4-17368.1000111.5Y246 V250 M274 S284 L285 R286 E291 F292Y246-L288 HydrophobicContact CE1-CD1 4.19Å; Y246-L288 WeakPolarHBondContact OH-CD1 2.96Å; V250-L288 HydrophobicContact CG1-CD1 4.13Å; V250-L288 HydrophobicContact CG1-CD2 3.76Å; V250-L288 HydrophobicContact CG1-CG 3.89Å; V250-L288 HydrophobicContact CG2-CD1 4.14Å; V250-L288 HydrophobicContact CG2-CD2 4.39Å; M274-L288 HydrophobicContact CE-CD2 4.37Å; S284-L288 PolarHBondContact O-N 3.21Å; L285-L288 HydrophobicContact CD2-CD2 4.4Å; L285-L288 WeakPolarHBondContact O-CB 3.4Å; L285-L288 PolarHBondContact O-N 3.36Å; R286-L288 VanDerWaalsContact C-N 3.31Å; R286-L288 PolarHBondContact O-N 3.08Å; L288-E291 PolarHBondContact O-N 3.33Å; L288-F292 HydrophobicContact CD1-CD2 4.04Å; L288-F292 HydrophobicContact CD1-CE2 3.77Å; L288-F292 HydrophobicContact CG-CD2 4.48Å; L288-F292 WeakPolarHBondContact O-CD2 3.48Å; L288-F292 PolarHBondContact O-N 3.3Å
289F86.4Confident82.6Confident0 Ų053.1 Ų53.10%026%0.263CS..Hα-helixtrans-59.7-50.8172.9179.3-88.4000111.4L285 R286 R287 E291 F292 A293 L296 M297 F330 F332 F344 N348L285-F289 PolarHBondContact O-N 2.99Å; R286-F289 WeakPolarHBondContact O-CB 3.44Å; R286-F289 PolarHBondContact O-N 3.29Å; R287-F289 VanDerWaalsContact C-N 3.35Å; F289-E291 PolarHBondContact O-N 3.5Å; F289-E291 VanDerWaalsContact O-N 3.17Å; F289-F292 CarbonylContact O-C 3.44Å; F289-F292 PolarHBondContact O-N 3.15Å; F289-F292 VanDerWaalsContact O-N 3.09Å; F289-A293 HydrophobicContact CD1-CB 4.12Å; F289-A293 HydrophobicContact CE1-CB 3.68Å; F289-A293 HydrophobicContact CZ-CB 4.02Å; F289-A293 VanDerWaalsContact O-CA 3.23Å; F289-A293 WeakPolarHBondContact O-CA 3.48Å; F289-A293 VanDerWaalsContact O-CB 3.31Å; F289-A293 WeakPolarHBondContact O-CB 3.41Å; F289-A293 PolarHBondContact O-N 2.91Å; F289-L296 HydrophobicContact CD2-CD1 3.76Å; F289-L296 HydrophobicContact CE2-CB 4.44Å; F289-L296 HydrophobicContact CE2-CD1 4.36Å; F289-L296 HydrophobicContact CG-CD1 4.44Å; F289-M297 HydrophobicContact CE2-SD 4.03Å; F289-M297 HydrophobicContact CZ-CG 4.18Å; F289-M297 HydrophobicContact CZ-SD 3.86Å; F289-F330 HydrophobicContact CB-CB 3.97Å; F289-F330 HydrophobicContact CB-CD1 3.6Å; F289-F330 HydrophobicContact CB-CE1 4.18Å; F289-F330 HydrophobicContact CB-CG 3.82Å; F289-F330 HydrophobicContact CD2-CB 4.02Å; F289-F330 AromaticContact CD2-CD1 3.84Å; F289-F330 HydrophobicContact CD2-CD1 3.84Å; F289-F330 AromaticContact CD2-CD2 3.38Å; F289-F330 HydrophobicContact CD2-CD2 3.38Å; F289-F330 HydrophobicContact CD2-CE1 4.08Å; F289-F330 AromaticContact CD2-CE2 3.67Å; F289-F330 HydrophobicContact CD2-CE2 3.67Å; F289-F330 AromaticContact CD2-CG 3.47Å; F289-F330 HydrophobicContact CD2-CG 3.47Å; F289-F330 VanDerWaalsContact CD2-CG 3.47Å; F289-F330 HydrophobicContact CD2-CZ 4Å; F289-F330 AromaticContact CE2-CD2 3.89Å; F289-F330 HydrophobicContact CE2-CD2 3.89Å; F289-F330 HydrophobicContact CE2-CE2 4.12Å; F289-F330 HydrophobicContact CE2-CG 4.37Å; F289-F330 HydrophobicContact CG-CB 4.07Å; F289-F330 HydrophobicContact CG-CD1 4.13Å; F289-F330 HydrophobicContact CG-CD2 4.26Å; F289-F330 AromaticContact CG-CG 3.91Å; F289-F330 HydrophobicContact CG-CG 3.91Å; F289-F332 AromaticContact CD1-CE2 3.58Å; F289-F332 HydrophobicContact CD1-CE2 3.58Å; F289-F332 AromaticContact CD1-CZ 3.56Å; F289-F332 HydrophobicContact CD1-CZ 3.56Å; F289-F332 HydrophobicContact CD2-CE2 4.46Å; F289-F332 AromaticContact CE1-CE2 3.78Å; F289-F332 HydrophobicContact CE1-CE2 3.78Å; F289-F332 AromaticContact CE1-CZ 3.42Å; F289-F332 HydrophobicContact CE1-CZ 3.42Å; F289-F332 VanDerWaalsContact CE1-CZ 3.42Å; F289-F332 AromaticContact CG-CE2 3.96Å; F289-F332 HydrophobicContact CG-CE2 3.96Å; F289-F332 HydrophobicContact CG-CZ 4.38Å; F289-F332 HydrophobicContact CZ-CE2 4.29Å; F289-F332 HydrophobicContact CZ-CZ 4.12Å; F289-F344 HydrophobicContact CE2-CE2 4.15Å; F289-F344 HydrophobicContact CE2-CZ 4.08Å; F289-F344 HydrophobicContact CZ-CE2 4.1Å; F289-F344 HydrophobicContact CZ-CZ 4.15Å; F289-N348 VanDerWaalsContact CE1-OD1 3.27Å; F289-N348 WeakPolarHBondContact CE1-OD1 3.1Å; F289-N348 WeakPolarHBondContact CZ-OD1 3.27Å
290D82.3Confident83.1Confident71 Ų7144.7 Ų44.738%0.3823%0.231SC..Hα-helixtrans-60.9-28.3-177.1-66.3-30.5000111.7R286 R287 P507R286-D290 IonicContact CZ-OD1 2.68Å; R286-D290 IonicContact NE-OD1 2.82Å; R286-D290 PolarHBondContact NE-OD1 3.01Å; R286-D290 IonicContact NE-OD2 2.62Å; R286-D290 PolarHBondContact NE-OD2 3.24Å; R286-D290 IonicContact NH2-OD1 3.92Å; R286-D290 PolarHBondContact NH2-OD1 2.95Å; R286-D290 VanDerWaalsContact O-CG 3.32Å; R286-D290 PolarHBondContact O-N 2.87Å; R287-D290 PolarHBondContact O-N 3.37Å; D290-P507 WeakPolarHBondContact O-CG 3.33Å
291E79.5Confident84Confident86 Ų8642 Ų4240%0.40222%0.218SC..Hα-helixtrans-70-40.9174.8-166.9175.7170.200112.8R281 R287 L288 F289R281-E291 IonicContact NH1-OE1 3.48Å; R281-E291 IonicContact NH1-OE2 3.9Å; R287-E291 PolarHBondContact O-N 3.18Å; R287-E291 VanDerWaalsContact O-N 3.11Å; L288-E291 PolarHBondContact O-N 3.33Å; F289-E291 PolarHBondContact O-N 3.5Å; F289-E291 VanDerWaalsContact O-N 3.17Å
292F82.8Confident84.9Confident19 Ų1939.8 Ų39.88%0.08321%0.213CC..Hα-helixtrans-116.118-174.3-55.3-64.6000114.7Y246 E247 V250 L288 F289 G294 S295 L296Y246-F292 AromaticContact CD1-CE2 3.85Å; Y246-F292 HydrophobicContact CD1-CE2 3.85Å; Y246-F292 AromaticContact CD1-CZ 3.48Å; Y246-F292 HydrophobicContact CD1-CZ 3.48Å; Y246-F292 VanDerWaalsContact CD1-CZ 3.48Å; Y246-F292 AromaticContact CE1-CE2 3.4Å; Y246-F292 HydrophobicContact CE1-CE2 3.4Å; Y246-F292 AromaticContact CE1-CZ 3.47Å; Y246-F292 HydrophobicContact CE1-CZ 3.47Å; Y246-F292 VanDerWaalsContact CE1-CZ 3.47Å; E247-F292 HydrophobicContact CB-CD1 3.88Å; E247-F292 HydrophobicContact CB-CE1 3.73Å; E247-F292 HydrophobicContact CB-CZ 4.48Å; E247-F292 HydrophobicContact CG-CD1 3.63Å; E247-F292 HydrophobicContact CG-CE1 4.03Å; E247-F292 HydrophobicContact CG-CG 4.36Å; V250-F292 HydrophobicContact CG1-CD2 4.09Å; L288-F292 HydrophobicContact CD1-CD2 4.04Å; L288-F292 HydrophobicContact CD1-CE2 3.77Å; L288-F292 HydrophobicContact CG-CD2 4.48Å; L288-F292 WeakPolarHBondContact O-CD2 3.48Å; L288-F292 PolarHBondContact O-N 3.3Å; F289-F292 CarbonylContact O-C 3.44Å; F289-F292 PolarHBondContact O-N 3.15Å; F289-F292 VanDerWaalsContact O-N 3.09Å; F292-G294 VanDerWaalsContact C-N 3.27Å; F292-G294 PolarHBondContact O-N 3.33Å; F292-G294 VanDerWaalsContact O-N 3.16Å; F292-S295 PolarHBondContact O-N 2.93Å; F292-L296 HydrophobicContact CB-CD1 4.12Å; F292-L296 HydrophobicContact CB-CG 4.21Å; F292-L296 WeakPolarHBondContact O-CG 3.34Å; F292-L296 PolarHBondContact O-N 3.24Å
293A86Confident85.5Confident6 Ų637.3 Ų37.35%0.0519%0.185CC..Hα-helixtrans-54-41.7-171.300000112.8F289 S295 L296 M297 H351F289-A293 HydrophobicContact CD1-CB 4.12Å; F289-A293 HydrophobicContact CE1-CB 3.68Å; F289-A293 HydrophobicContact CZ-CB 4.02Å; F289-A293 VanDerWaalsContact O-CA 3.23Å; F289-A293 WeakPolarHBondContact O-CA 3.48Å; F289-A293 VanDerWaalsContact O-CB 3.31Å; F289-A293 WeakPolarHBondContact O-CB 3.41Å; F289-A293 PolarHBondContact O-N 2.91Å; A293-S295 PolarHBondContact O-N 3.25Å; A293-L296 PolarHBondContact O-N 3.46Å; A293-M297 VanDerWaalsContact O-CB 3.25Å; A293-M297 WeakPolarHBondContact O-CB 3.43Å; A293-M297 WeakPolarHBondContact O-CG 3.34Å; A293-M297 PolarHBondContact O-N 3.45Å; A293-H351 WeakPolarHBondContact CB-NE2 3.21Å
294G84.2Confident85.9Confident24 Ų2436.1 Ų36.125%0.24718%0.177CC..Hα-helixtrans-60.6-43.4179.100000113.4F292 K298 W355F292-G294 VanDerWaalsContact C-N 3.27Å; F292-G294 PolarHBondContact O-N 3.33Å; F292-G294 VanDerWaalsContact O-N 3.16Å; G294-K298 PolarHBondContact O-N 3.47Å; G294-W355 PolarHBondContact O-NE1 3.43Å; G294-W355 VanDerWaalsContact O-NE1 3.17Å
295S84.3Confident86.2Confident34 Ų3434 Ų3424%0.23816%0.162CC..Hα-helixtrans-74.7-46.1178.6-63.80000111E247 F292 A293 M297 K298 Y299E247-S295 WeakPolarHBondContact OE1-CB 3.37Å; E247-S295 PolarHBondContact OE1-OG 3.23Å; F292-S295 PolarHBondContact O-N 2.93Å; A293-S295 PolarHBondContact O-N 3.25Å; S295-M297 PolarHBondContact O-N 3.44Å; S295-K298 VanDerWaalsContact O-CB 3.25Å; S295-K298 WeakPolarHBondContact O-CB 3.27Å; S295-K298 PolarHBondContact O-N 3.13Å; S295-Y299 WeakPolarHBondContact O-CD2 3.34Å; S295-Y299 PolarHBondContact O-N 2.85Å
296L88.3Confident86.3Confident5 Ų538.2 Ų38.23%0.02618%0.181CC..Hα-helixtrans-57.1-47.6176.3-70.6170.2000111.7V251 S254 F289 F292 A293 K298 Y299 I300 F330V251-L296 HydrophobicContact CB-CD2 4.48Å; V251-L296 HydrophobicContact CG2-CD2 3.99Å; V251-L296 HydrophobicContact CG2-CG 4.39Å; S254-L296 WeakPolarHBondContact OG-CD2 3.36Å; F289-L296 HydrophobicContact CD2-CD1 3.76Å; F289-L296 HydrophobicContact CE2-CB 4.44Å; F289-L296 HydrophobicContact CE2-CD1 4.36Å; F289-L296 HydrophobicContact CG-CD1 4.44Å; F292-L296 HydrophobicContact CB-CD1 4.12Å; F292-L296 HydrophobicContact CB-CG 4.21Å; F292-L296 WeakPolarHBondContact O-CG 3.34Å; F292-L296 PolarHBondContact O-N 3.24Å; A293-L296 PolarHBondContact O-N 3.46Å; L296-K298 VanDerWaalsContact C-N 3.3Å; L296-K298 PolarHBondContact O-N 3.31Å; L296-Y299 PolarHBondContact O-N 3.43Å; L296-Y299 VanDerWaalsContact O-N 3.14Å; L296-I300 WeakPolarHBondContact O-CG1 3.3Å; L296-I300 PolarHBondContact O-N 2.95Å; L296-F330 HydrophobicContact CD1-CE1 4.17Å; L296-F330 HydrophobicContact CD1-CZ 3.9Å; L296-F330 HydrophobicContact CD2-CZ 4.33Å
297M91Very high86.2Confident0 Ų036.8 Ų36.80%018%0.178CC..Hα-helixtrans-66.9-29.8179.9-68.1-48.5-59.300112.9F289 A293 S295 Y299 I300 V301 F344 N348 H351 V352F289-M297 HydrophobicContact CE2-SD 4.03Å; F289-M297 HydrophobicContact CZ-CG 4.18Å; F289-M297 HydrophobicContact CZ-SD 3.86Å; A293-M297 VanDerWaalsContact O-CB 3.25Å; A293-M297 WeakPolarHBondContact O-CB 3.43Å; A293-M297 WeakPolarHBondContact O-CG 3.34Å; A293-M297 PolarHBondContact O-N 3.45Å; S295-M297 PolarHBondContact O-N 3.44Å; M297-Y299 VanDerWaalsContact C-N 3.32Å; M297-Y299 PolarHBondContact O-N 3.36Å; M297-I300 HydrophobicContact CE-CB 4.38Å; M297-I300 HydrophobicContact CE-CD1 4.32Å; M297-I300 HydrophobicContact CE-CG2 4.41Å; M297-I300 PolarHBondContact O-N 2.86Å; M297-I300 HydrophobicContact SD-CD1 3.7Å; M297-V301 WeakPolarHBondContact O-CB 3.09Å; M297-V301 VanDerWaalsContact O-CG2 3.29Å; M297-V301 WeakPolarHBondContact O-CG2 3.45Å; M297-V301 PolarHBondContact O-N 3.03Å; M297-F344 HydrophobicContact CE-CE1 4.01Å; M297-F344 HydrophobicContact CE-CZ 4.36Å; M297-F344 HydrophobicContact SD-CE1 4.07Å; M297-F344 HydrophobicContact SD-CZ 3.8Å; M297-N348 HydrophobicContact CE-CB 4.25Å; M297-N348 HydrophobicContact CG-CB 4.37Å; M297-N348 HydrophobicContact SD-CB 4.2Å; M297-H351 HydrophobicContact CB-CB 3.69Å; M297-H351 HydrophobicContact CG-CB 3.79Å; M297-V352 HydrophobicContact CE-CG2 3.21Å
298K89.9Confident86.4Confident76 Ų7629 Ų2933%0.3315%0.149SC..Hα-helixtrans-55.1-49.7170-175.2-173.9-179.8-178.70110.8G294 S295 L296 V301 L302 W355G294-K298 PolarHBondContact O-N 3.47Å; S295-K298 VanDerWaalsContact O-CB 3.25Å; S295-K298 WeakPolarHBondContact O-CB 3.27Å; S295-K298 PolarHBondContact O-N 3.13Å; L296-K298 VanDerWaalsContact C-N 3.3Å; L296-K298 PolarHBondContact O-N 3.31Å; K298-V301 PolarHBondContact O-N 3.42Å; K298-L302 WeakPolarHBondContact O-CG 3.35Å; K298-L302 PolarHBondContact O-N 3.11Å; K298-W355 HydrophobicContact CB-CD2 3.92Å; K298-W355 HydrophobicContact CB-CG 4.13Å; K298-W355 HydrophobicContact CB-CZ2 4Å; K298-W355 HydrophobicContact CD-CD2 4.27Å; K298-W355 HydrophobicContact CD-CE3 4.16Å; K298-W355 HydrophobicContact CD-CH2 3.63Å; K298-W355 HydrophobicContact CD-CZ2 3.71Å; K298-W355 HydrophobicContact CD-CZ3 3.85Å; K298-W355 HydrophobicContact CG-CD2 3.66Å; K298-W355 HydrophobicContact CG-CE3 3.84Å; K298-W355 HydrophobicContact CG-CG 4.18Å; K298-W355 HydrophobicContact CG-CH2 4.12Å; K298-W355 HydrophobicContact CG-CZ2 3.92Å; K298-W355 HydrophobicContact CG-CZ3 4.07Å
299Y86.3Confident86.5Confident65 Ų6535 Ų3526%0.25518%0.177SC..Hα-helixtrans-71.2-37.2-178.7-68.4-78.9000112.5V251 I255 S295 L296 M297 V301 L302 L303V251-Y299 HydrophobicContact CB-CE2 4.4Å; V251-Y299 HydrophobicContact CG1-CD2 3.26Å; V251-Y299 HydrophobicContact CG1-CE1 4.45Å; V251-Y299 HydrophobicContact CG1-CE2 3.15Å; V251-Y299 HydrophobicContact CG1-CG 4.04Å; V251-Y299 HydrophobicContact CG2-CE2 4.45Å; I255-Y299 HydrophobicContact CD1-CD1 3.5Å; I255-Y299 VanDerWaalsContact CD1-CD1 3.5Å; I255-Y299 HydrophobicContact CD1-CD2 4.24Å; I255-Y299 HydrophobicContact CD1-CE1 3.96Å; I255-Y299 HydrophobicContact CD1-CG 3.63Å; I255-Y299 HydrophobicContact CG1-CD1 4.39Å; I255-Y299 HydrophobicContact CG1-CG 4.2Å; S295-Y299 WeakPolarHBondContact O-CD2 3.34Å; S295-Y299 PolarHBondContact O-N 2.85Å; L296-Y299 PolarHBondContact O-N 3.43Å; L296-Y299 VanDerWaalsContact O-N 3.14Å; M297-Y299 VanDerWaalsContact C-N 3.32Å; M297-Y299 PolarHBondContact O-N 3.36Å; Y299-V301 VanDerWaalsContact C-N 3.27Å; Y299-V301 PolarHBondContact O-N 3.12Å; Y299-L302 HydrophobicContact CD1-CD1 4.35Å; Y299-L302 PolarHBondContact O-N 3.17Å; Y299-L303 WeakPolarHBondContact O-CG 3.47Å; Y299-L303 PolarHBondContact O-N 3.41Å
300I89.7Confident86.3Confident3 Ų339.8 Ų39.82%0.01520%0.202CC..Hα-helixtrans-62.2-39.6174.3-61171000109.8L258 L296 M297 L303 M304 L322 L323 A326 F344L258-I300 HydrophobicContact CD1-CD1 3.92Å; L258-I300 HydrophobicContact CD1-CG1 3.86Å; L296-I300 WeakPolarHBondContact O-CG1 3.3Å; L296-I300 PolarHBondContact O-N 2.95Å; M297-I300 HydrophobicContact CE-CB 4.38Å; M297-I300 HydrophobicContact CE-CD1 4.32Å; M297-I300 HydrophobicContact CE-CG2 4.41Å; M297-I300 PolarHBondContact O-N 2.86Å; M297-I300 HydrophobicContact SD-CD1 3.7Å; I300-L303 PolarHBondContact O-N 3.49Å; I300-M304 HydrophobicContact CB-CE 4.41Å; I300-M304 HydrophobicContact CG2-CE 3.44Å; I300-M304 VanDerWaalsContact CG2-CE 3.44Å; I300-M304 VanDerWaalsContact O-CG 3.31Å; I300-M304 WeakPolarHBondContact O-CG 3.3Å; I300-M304 PolarHBondContact O-N 3.43Å; I300-L322 HydrophobicContact CG2-CD2 4.29Å; I300-L323 HydrophobicContact CG2-CD2 4.49Å; I300-A326 HydrophobicContact CD1-CB 4.25Å; I300-F344 HydrophobicContact CD1-CZ 4.45Å
301V90.7Very high86.2Confident2 Ų240.5 Ų40.51%0.01220%0.203CC..Hα-helixtrans-61.7-45.5173.6167.30000111.7M297 K298 Y299 L303 M304 C305 V352 W355 L356M297-V301 WeakPolarHBondContact O-CB 3.09Å; M297-V301 VanDerWaalsContact O-CG2 3.29Å; M297-V301 WeakPolarHBondContact O-CG2 3.45Å; M297-V301 PolarHBondContact O-N 3.03Å; K298-V301 PolarHBondContact O-N 3.42Å; Y299-V301 VanDerWaalsContact C-N 3.27Å; Y299-V301 PolarHBondContact O-N 3.12Å; V301-L303 VanDerWaalsContact C-N 3.34Å; V301-L303 PolarHBondContact O-N 2.76Å; V301-M304 HydrophobicContact CG2-CE 4.5Å; V301-M304 WeakPolarHBondContact O-CB 3.35Å; V301-M304 PolarHBondContact O-N 3.14Å; V301-C305 PolarHBondContact O-N 3.44Å; V301-C305 PolarHBondContact O-SG 3.45Å; V301-C305 VanDerWaalsContact O-SG 3.4Å; V301-V352 HydrophobicContact CG2-CB 4.42Å; V301-V352 HydrophobicContact CG2-CG1 3.92Å; V301-W355 HydrophobicContact CB-CB 4.27Å; V301-W355 HydrophobicContact CG1-CB 4.1Å; V301-W355 HydrophobicContact CG2-CB 4.26Å; V301-L356 HydrophobicContact CG1-CD2 3.61Å; V301-L356 HydrophobicContact CG1-CG 3.99Å; V301-L356 HydrophobicContact CG2-CG 4.43Å
302L88.6Confident86.1Confident61 Ų6139.5 Ų39.532%0.31920%0.204SC..Hα-helixtrans-61.6-40.8175.9-69.2171000112.2K298 Y299 C305 Q306K298-L302 WeakPolarHBondContact O-CG 3.35Å; K298-L302 PolarHBondContact O-N 3.11Å; Y299-L302 HydrophobicContact CD1-CD1 4.35Å; Y299-L302 PolarHBondContact O-N 3.17Å; L302-C305 PolarHBondContact O-N 2.92Å; L302-Q306 WeakPolarHBondContact O-CB 3.41Å; L302-Q306 PolarHBondContact O-N 2.9Å
303L86.6Confident86Confident14 Ų1448 Ų487%0.07324%0.244CC..Hα-helixtrans-62.6-41.5173.9-73.8171.4000111.4L258 A259 Y299 I300 V301 Q306 M307 L322L258-L303 HydrophobicContact CB-CD1 4.31Å; A259-L303 HydrophobicContact CB-CD2 3.92Å; Y299-L303 WeakPolarHBondContact O-CG 3.47Å; Y299-L303 PolarHBondContact O-N 3.41Å; I300-L303 PolarHBondContact O-N 3.49Å; V301-L303 VanDerWaalsContact C-N 3.34Å; V301-L303 PolarHBondContact O-N 2.76Å; L303-Q306 PolarHBondContact O-N 3.19Å; L303-M307 VanDerWaalsContact O-CG 3.22Å; L303-M307 WeakPolarHBondContact O-CG 3.47Å; L303-M307 PolarHBondContact O-N 3.1Å; L303-L322 HydrophobicContact CB-CD2 4.03Å
304M89.7Confident85.9Confident0 Ų051.5 Ų51.50%026%0.262CS..Hα-helixtrans-60-46.4174.2-69.7-177.8-129.900111.3I300 V301 Q306 M307 V308 I319 L322 L323 V367I300-M304 HydrophobicContact CB-CE 4.41Å; I300-M304 HydrophobicContact CG2-CE 3.44Å; I300-M304 VanDerWaalsContact CG2-CE 3.44Å; I300-M304 VanDerWaalsContact O-CG 3.31Å; I300-M304 WeakPolarHBondContact O-CG 3.3Å; I300-M304 PolarHBondContact O-N 3.43Å; V301-M304 HydrophobicContact CG2-CE 4.5Å; V301-M304 WeakPolarHBondContact O-CB 3.35Å; V301-M304 PolarHBondContact O-N 3.14Å; M304-Q306 VanDerWaalsContact C-N 3.34Å; M304-Q306 PolarHBondContact O-N 3.4Å; M304-M307 PolarHBondContact O-N 3.22Å; M304-V308 WeakPolarHBondContact O-CG2 3.28Å; M304-V308 PolarHBondContact O-N 3.41Å; M304-I319 HydrophobicContact CB-CD1 4.28Å; M304-I319 HydrophobicContact CB-CG1 4.29Å; M304-I319 HydrophobicContact CG-CG1 4.23Å; M304-I319 HydrophobicContact CG-CG2 4.08Å; M304-I319 HydrophobicContact SD-CG2 3.88Å; M304-L322 HydrophobicContact CG-CD2 3.91Å; M304-L323 HydrophobicContact CE-CD2 3.71Å; M304-L323 HydrophobicContact CE-CG 4.46Å; M304-V367 HydrophobicContact CB-CG1 3.95Å; M304-V367 HydrophobicContact CB-CG2 3.87Å; M304-V367 HydrophobicContact CG-CG1 4.47Å; M304-V367 HydrophobicContact SD-CG1 3.69Å
305C89.1Confident86Confident6 Ų650.8 Ų50.84%0.04125%0.252CS..Hα-helixtrans-61.6-42.1176.8-66.20000111.7V301 L302 M307 V308 Q309 D363V301-C305 PolarHBondContact O-N 3.44Å; V301-C305 PolarHBondContact O-SG 3.45Å; V301-C305 VanDerWaalsContact O-SG 3.4Å; L302-C305 PolarHBondContact O-N 2.92Å; C305-M307 PolarHBondContact O-N 3.26Å; C305-V308 WeakPolarHBondContact O-CB 3.44Å; C305-V308 PolarHBondContact O-N 3.44Å; C305-Q309 PolarHBondContact O-N 2.89Å; C305-D363 HydrophobicContact CB-CB 4.07Å
306Q86.6Confident86Confident98 Ų9852.3 Ų52.346%0.45826%0.258SS..Hα-helixtrans-64.3-39.1176.4-171.2-179.82.600112.2L302 L303 M304 V308 Q309 L310L302-Q306 WeakPolarHBondContact O-CB 3.41Å; L302-Q306 PolarHBondContact O-N 2.9Å; L303-Q306 PolarHBondContact O-N 3.19Å; M304-Q306 VanDerWaalsContact C-N 3.34Å; M304-Q306 PolarHBondContact O-N 3.4Å; Q306-V308 VanDerWaalsContact C-N 3.29Å; Q306-V308 PolarHBondContact O-N 3.4Å; Q306-Q309 WeakPolarHBondContact O-CB 3.41Å; Q306-Q309 PolarHBondContact O-N 3.04Å; Q306-Q309 VanDerWaalsContact O-N 3.14Å; Q306-L310 HydrophobicContact CG-CD1 4.1Å; Q306-L310 WeakPolarHBondContact O-CG 3.46Å; Q306-L310 PolarHBondContact O-N 3.1Å
307M84.8Confident85.8Confident35 Ų3554.2 Ų54.217%0.17227%0.274CS..Hα-helixtrans-65.3-32.9175.3-69.8-65.4171.300112.1L303 M304 C305 Q309 L310 H311L303-M307 VanDerWaalsContact O-CG 3.22Å; L303-M307 WeakPolarHBondContact O-CG 3.47Å; L303-M307 PolarHBondContact O-N 3.1Å; M304-M307 PolarHBondContact O-N 3.22Å; C305-M307 PolarHBondContact O-N 3.26Å; M307-Q309 VanDerWaalsContact C-N 3.29Å; M307-Q309 PolarHBondContact O-N 3.35Å; M307-L310 PolarHBondContact O-N 3.2Å; M307-H311 PolarHBondContact O-N 2.93Å
308V85.9Confident85.6Confident3 Ų357.1 Ų57.12%0.01829%0.288CS..Hα-helixtrans-62.5-38.5172171.60000111.5M304 C305 Q306 T315 I319 D363 R366 V367M304-V308 WeakPolarHBondContact O-CG2 3.28Å; M304-V308 PolarHBondContact O-N 3.41Å; C305-V308 WeakPolarHBondContact O-CB 3.44Å; C305-V308 PolarHBondContact O-N 3.44Å; Q306-V308 VanDerWaalsContact C-N 3.29Å; Q306-V308 PolarHBondContact O-N 3.4Å; V308-T315 HydrophobicContact CB-CG2 4.28Å; V308-T315 HydrophobicContact CG1-CG2 4.34Å; V308-T315 HydrophobicContact CG2-CG2 4.04Å; V308-I319 HydrophobicContact CG2-CD1 4.06Å; V308-D363 HydrophobicContact CB-CB 4.41Å; V308-D363 HydrophobicContact CG1-CB 4.24Å; V308-R366 HydrophobicContact CG1-CB 4.18Å; V308-R366 HydrophobicContact CG1-CG 4.24Å; V308-V367 HydrophobicContact CG2-CG2 3.7Å
309Q82.9Confident85.4Confident127 Ų12753.5 Ų53.559%0.59327%0.272SS*.Hα-helixtrans-70.4-40.8176.3-65176.7-7.100112.5C305 Q306 M307 D363C305-Q309 PolarHBondContact O-N 2.89Å; Q306-Q309 WeakPolarHBondContact O-CB 3.41Å; Q306-Q309 PolarHBondContact O-N 3.04Å; Q306-Q309 VanDerWaalsContact O-N 3.14Å; M307-Q309 VanDerWaalsContact C-N 3.29Å; M307-Q309 PolarHBondContact O-N 3.35Å; Q309-D363 WeakPolarHBondContact CG-OD2 3.19Å; Q309-D363 PolarHBondContact NE2-OD2 3.29Å
310L82.3Confident85.5Confident100 Ų10051.2 Ų51.252%0.52427%0.269SS..Hα-helixtrans-77.4-36-176.7-68.9171.7000113.4Q306 M307Q306-L310 HydrophobicContact CG-CD1 4.1Å; Q306-L310 WeakPolarHBondContact O-CG 3.46Å; Q306-L310 PolarHBondContact O-N 3.1Å; M307-L310 PolarHBondContact O-N 3.2Å
311H81Confident85.4Confident86 Ų8654.8 Ų54.840%0.39829%0.291SS..  trans-131.162.7-171.8-60.6-62.2000112.8M307 E313 N314 T315 E318M307-H311 PolarHBondContact O-N 2.93Å; H311-E313 PolarHBondContact O-N 2.95Å; H311-N314 PolarHBondContact O-N 2.92Å; H311-N314 VanDerWaalsContact O-N 3.15Å; H311-T315 WeakPolarHBondContact O-CG2 3.48Å; H311-T315 PolarHBondContact O-N 3.28Å; H311-E318 HydrophobicContact CB-CG 4.33Å
312P78Confident85.2Confident65 Ų6555.2 Ų55.242%0.42229%0.293SS..THydrogen-bonded Turntrans-61-21.6-17322.5-33.1000114.8R366P312-R366 PolarHBondContact O-NH2 2.73Å
313E81.1Confident85.3Confident198 Ų19852.3 Ų52.393%0.92528%0.277SS*.THydrogen-bonded Turntrans-87.8-28178.3-62.2-168.3179.800113.9H311H311-E313 PolarHBondContact O-N 2.95Å
314N83.8Confident85.4Confident80 Ų8055 Ų5543%0.42829%0.292SS..SBendtrans-115.620.7-173.4-159.930.4000114H311 D316 A317 E318H311-N314 PolarHBondContact O-N 2.92Å; H311-N314 VanDerWaalsContact O-N 3.15Å; N314-D316 PolarHBondContact O-N 2.9Å; N314-A317 PolarHBondContact O-N 3.4Å; N314-A317 VanDerWaalsContact O-N 3.15Å; N314-A317 VanDerWaalsContact OD1-CB 3.28Å; N314-A317 WeakPolarHBondContact OD1-CB 2.95Å; N314-E318 PolarHBondContact ND2-OE1 2.53Å; N314-E318 PolarHBondContact O-N 3.45Å
315T84.9Confident85.3Confident8 Ų855.8 Ų55.85%0.04930%0.295CS..Hα-helixtrans-52.4-43.1-173.253.70000114.9V308 H311 A317 I319V308-T315 HydrophobicContact CB-CG2 4.28Å; V308-T315 HydrophobicContact CG1-CG2 4.34Å; V308-T315 HydrophobicContact CG2-CG2 4.04Å; H311-T315 WeakPolarHBondContact O-CG2 3.48Å; H311-T315 PolarHBondContact O-N 3.28Å; T315-A317 VanDerWaalsContact C-N 3.34Å; T315-A317 PolarHBondContact O-N 3.31Å; T315-I319 WeakPolarHBondContact O-CB 3.12Å; T315-I319 WeakPolarHBondContact O-CG1 3.25Å; T315-I319 PolarHBondContact O-N 2.57Å
316D84.5Confident85.3Confident67 Ų6755.5 Ų55.536%0.35829%0.293SS..Hα-helixtrans-58.9-43.9179.8-73.312000112.1N314 G320 I370 K373N314-D316 PolarHBondContact O-N 2.9Å; D316-G320 PolarHBondContact O-N 3.46Å; D316-G320 VanDerWaalsContact O-N 3.08Å; D316-I370 VanDerWaalsContact OD1-CG1 3.27Å; D316-I370 WeakPolarHBondContact OD1-CG1 3.45Å; D316-K373 IonicContact OD2-NZ 3.1Å; D316-K373 PolarHBondContact OD2-NZ 3.38Å
317A85.1Confident85.4Confident45 Ų4550.9 Ų50.937%0.37227%0.272SS..Hα-helixtrans-73.3-44.8-176.800000111.2N314 T315 G320 T321N314-A317 PolarHBondContact O-N 3.4Å; N314-A317 VanDerWaalsContact O-N 3.15Å; N314-A317 VanDerWaalsContact OD1-CB 3.28Å; N314-A317 WeakPolarHBondContact OD1-CB 2.95Å; T315-A317 VanDerWaalsContact C-N 3.34Å; T315-A317 PolarHBondContact O-N 3.31Å; A317-G320 CarbonylContact O-C 3.56Å; A317-G320 WeakPolarHBondContact O-CA 3.48Å; A317-G320 PolarHBondContact O-N 3.48Å; A317-G320 VanDerWaalsContact O-N 3.16Å; A317-T321 VanDerWaalsContact O-CG2 3.29Å; A317-T321 WeakPolarHBondContact O-CG2 3.25Å; A317-T321 PolarHBondContact O-N 3.47Å; A317-T321 PolarHBondContact O-OG1 2.9Å
318E85.2Confident85.6Confident61 Ų6154 Ų5429%0.28529%0.286SS..Hα-helixtrans-65.5-40.6-179.6-64-56.7152.200112.6H311 N314 G320 T321 L322H311-E318 HydrophobicContact CB-CG 4.33Å; N314-E318 PolarHBondContact ND2-OE1 2.53Å; N314-E318 PolarHBondContact O-N 3.45Å; E318-G320 VanDerWaalsContact C-N 3.31Å; E318-T321 WeakPolarHBondContact CA-OG1 3.4Å; E318-T321 PolarHBondContact O-N 3.38Å; E318-T321 PolarHBondContact O-OG1 2.91Å; E318-L322 WeakPolarHBondContact O-CB 3.44Å; E318-L322 PolarHBondContact O-N 3.15Å
319I87.3Confident85.6Confident0 Ų054 Ų540%029%0.286CS..Hα-helixtrans-66.8-39.1173.4-68.2174000109.9M304 V308 T315 L322 L323 V367 I370M304-I319 HydrophobicContact CB-CD1 4.28Å; M304-I319 HydrophobicContact CB-CG1 4.29Å; M304-I319 HydrophobicContact CG-CG1 4.23Å; M304-I319 HydrophobicContact CG-CG2 4.08Å; M304-I319 HydrophobicContact SD-CG2 3.88Å; V308-I319 HydrophobicContact CG2-CD1 4.06Å; T315-I319 WeakPolarHBondContact O-CB 3.12Å; T315-I319 WeakPolarHBondContact O-CG1 3.25Å; T315-I319 PolarHBondContact O-N 2.57Å; I319-L322 PolarHBondContact O-N 2.93Å; I319-L323 HydrophobicContact CG2-CD1 3.74Å; I319-L323 HydrophobicContact CG2-CG 4.3Å; I319-L323 WeakPolarHBondContact O-CB 3.3Å; I319-L323 WeakPolarHBondContact O-CD1 3.39Å; I319-L323 WeakPolarHBondContact O-CG 3.37Å; I319-L323 PolarHBondContact O-N 3.45Å; I319-V367 HydrophobicContact CD1-CG2 4.01Å; I319-I370 HydrophobicContact CD1-CD1 3.67Å; I319-I370 HydrophobicContact CD1-CG2 4.36Å; I319-I370 HydrophobicContact CG2-CG2 4.38Å
320G87.3Confident85.8Confident17 Ų1748 Ų4818%0.17526%0.257CS..Hα-helixtrans-59.1-44.9174.500000113.2D316 A317 E318 L324D316-G320 PolarHBondContact O-N 3.46Å; D316-G320 VanDerWaalsContact O-N 3.08Å; A317-G320 CarbonylContact O-C 3.56Å; A317-G320 WeakPolarHBondContact O-CA 3.48Å; A317-G320 PolarHBondContact O-N 3.48Å; A317-G320 VanDerWaalsContact O-N 3.16Å; E318-G320 VanDerWaalsContact C-N 3.31Å; G320-L324 WeakPolarHBondContact O-CB 3.35Å; G320-L324 PolarHBondContact O-N 3.12Å
321T87.1Confident85.9Confident78 Ų7847.8 Ų47.848%0.47925%0.254SS..Hα-helixtrans-68.4-42.8178.359.90000111.6A317 E318 L323 L324 H325A317-T321 VanDerWaalsContact O-CG2 3.29Å; A317-T321 WeakPolarHBondContact O-CG2 3.25Å; A317-T321 PolarHBondContact O-N 3.47Å; A317-T321 PolarHBondContact O-OG1 2.9Å; E318-T321 WeakPolarHBondContact CA-OG1 3.4Å; E318-T321 PolarHBondContact O-N 3.38Å; E318-T321 PolarHBondContact O-OG1 2.91Å; T321-L323 PolarHBondContact O-N 3.45Å; T321-L324 PolarHBondContact O-N 3.46Å; T321-H325 WeakPolarHBondContact O-CB 3.46Å; T321-H325 PolarHBondContact O-N 3.38Å
322L87.8Confident86Confident10 Ų1043.8 Ų43.85%0.05224%0.235CC..Hα-helixtrans-58-47.5174.8175.865.6000111.8L258 I300 L303 M304 E318 I319 L324 H325 A326L258-L322 HydrophobicContact CB-CD1 4Å; L258-L322 WeakPolarHBondContact O-CD1 3.36Å; I300-L322 HydrophobicContact CG2-CD2 4.29Å; L303-L322 HydrophobicContact CB-CD2 4.03Å; M304-L322 HydrophobicContact CG-CD2 3.91Å; E318-L322 WeakPolarHBondContact O-CB 3.44Å; E318-L322 PolarHBondContact O-N 3.15Å; I319-L322 PolarHBondContact O-N 2.93Å; L322-L324 VanDerWaalsContact C-N 3.33Å; L322-L324 PolarHBondContact O-N 3.23Å; L322-H325 PolarHBondContact O-N 3.46Å; L322-A326 WeakPolarHBondContact O-CB 3.48Å; L322-A326 PolarHBondContact O-N 3.39Å
323L90.3Very high86.3Confident0 Ų045.9 Ų45.90%024%0.235CC..Hα-helixtrans-68-34.5179.4-71.2169.4000112.3I300 M304 I319 T321 A327 A341 F344 L345 M374I300-L323 HydrophobicContact CG2-CD2 4.49Å; M304-L323 HydrophobicContact CE-CD2 3.71Å; M304-L323 HydrophobicContact CE-CG 4.46Å; I319-L323 HydrophobicContact CG2-CD1 3.74Å; I319-L323 HydrophobicContact CG2-CG 4.3Å; I319-L323 WeakPolarHBondContact O-CB 3.3Å; I319-L323 WeakPolarHBondContact O-CD1 3.39Å; I319-L323 WeakPolarHBondContact O-CG 3.37Å; I319-L323 PolarHBondContact O-N 3.45Å; T321-L323 PolarHBondContact O-N 3.45Å; L323-A327 VanDerWaalsContact O-CB 3.3Å; L323-A327 WeakPolarHBondContact O-CB 3.39Å; L323-A327 PolarHBondContact O-N 3.48Å; L323-A341 HydrophobicContact CB-CB 3.75Å; L323-F344 HydrophobicContact CD2-CD1 3.93Å; L323-F344 HydrophobicContact CD2-CE1 3.98Å; L323-L345 HydrophobicContact CD1-CD1 3.52Å; L323-L345 HydrophobicContact CD1-CD2 3.87Å; L323-L345 HydrophobicContact CD1-CG 3.7Å; L323-L345 HydrophobicContact CD2-CD2 3.73Å; L323-L345 HydrophobicContact CD2-CG 4.1Å; L323-L345 HydrophobicContact CG-CD2 4.47Å; L323-L345 HydrophobicContact CG-CG 4.5Å; L323-M374 HydrophobicContact CD1-CE 4.07Å; L323-M374 HydrophobicContact CD1-SD 4.11Å
324L89Confident86.2Confident72 Ų7238.4 Ų38.438%0.37720%0.201SC..Hα-helixtrans-67.6-40.4173.8-169.467.6000111.1G320 T321 L322 A327 Q328 L339G320-L324 WeakPolarHBondContact O-CB 3.35Å; G320-L324 PolarHBondContact O-N 3.12Å; T321-L324 PolarHBondContact O-N 3.46Å; L322-L324 VanDerWaalsContact C-N 3.33Å; L322-L324 PolarHBondContact O-N 3.23Å; L324-A327 PolarHBondContact O-N 2.87Å; L324-Q328 WeakPolarHBondContact O-CB 3.37Å; L324-Q328 PolarHBondContact O-N 2.96Å; L324-L339 HydrophobicContact CD1-CB 3.81Å
325H87.8Confident85.7Confident16 Ų1644.3 Ų44.37%0.07423%0.226CC..Hα-helixtrans-63.6-44.7175-171.3-168.5000111.2T257 L258 T321 L322 A327 Q328 L329T257-H325 PolarHBondContact O-CE1 3.23Å; L258-H325 HydrophobicContact CD2-CB 4.33Å; T321-H325 WeakPolarHBondContact O-CB 3.46Å; T321-H325 PolarHBondContact O-N 3.38Å; L322-H325 PolarHBondContact O-N 3.46Å; H325-A327 VanDerWaalsContact C-N 3.34Å; H325-A327 PolarHBondContact O-N 3.33Å; H325-Q328 WeakPolarHBondContact O-CB 3.41Å; H325-Q328 PolarHBondContact O-N 3.11Å; H325-L329 WeakPolarHBondContact O-CB 3.42Å; H325-L329 PolarHBondContact O-N 3.49Å
326A88.9Confident85.4Confident0 Ų050.1 Ų50.10%025%0.253CS..Hα-helixtrans-62.4-40.1173.600000112.4L258 I300 L322 Q328 L329 F330 F344L258-A326 HydrophobicContact CD1-CB 4.23Å; L258-A326 HydrophobicContact CD2-CB 3.94Å; I300-A326 HydrophobicContact CD1-CB 4.25Å; L322-A326 WeakPolarHBondContact O-CB 3.48Å; L322-A326 PolarHBondContact O-N 3.39Å; A326-Q328 VanDerWaalsContact C-N 3.3Å; A326-Q328 PolarHBondContact O-N 3.23Å; A326-L329 PolarHBondContact O-N 3.26Å; A326-F330 VanDerWaalsContact O-CD2 3.28Å; A326-F330 WeakPolarHBondContact O-CD2 2.64Å; A326-F330 PolarHBondContact O-N 3.12Å; A326-F344 HydrophobicContact CB-CE1 4.01Å; A326-F344 HydrophobicContact CB-CE2 4.49Å; A326-F344 HydrophobicContact CB-CZ 3.91Å
327A88.5Confident85.1Confident0 Ų053.5 Ų53.50%027%0.266CS..Hα-helixtrans-63.7-37.2175.500000112.1L323 L324 H325 E331 F332 L339 F344L323-A327 VanDerWaalsContact O-CB 3.3Å; L323-A327 WeakPolarHBondContact O-CB 3.39Å; L323-A327 PolarHBondContact O-N 3.48Å; L324-A327 PolarHBondContact O-N 2.87Å; H325-A327 VanDerWaalsContact C-N 3.34Å; H325-A327 PolarHBondContact O-N 3.33Å; A327-E331 PolarHBondContact O-N 3.31Å; A327-F332 HydrophobicContact CB-CB 4.17Å; A327-F332 PolarHBondContact O-N 3.15Å; A327-L339 HydrophobicContact CB-CD2 4.43Å; A327-F344 HydrophobicContact CB-CB 3.82Å; A327-F344 HydrophobicContact CB-CD2 4.18Å; A327-F344 HydrophobicContact CB-CG 4.09Å
328Q88.3Confident85Confident102 Ų10259 Ų5948%0.47728%0.278SS..Hα-helixtrans-67.8-50.6175.2180175.6-13.400111.5L324 H325 A326 F330 E331 L339L324-Q328 WeakPolarHBondContact O-CB 3.37Å; L324-Q328 PolarHBondContact O-N 2.96Å; H325-Q328 WeakPolarHBondContact O-CB 3.41Å; H325-Q328 PolarHBondContact O-N 3.11Å; A326-Q328 VanDerWaalsContact C-N 3.3Å; A326-Q328 PolarHBondContact O-N 3.23Å; Q328-F330 VanDerWaalsContact C-N 3.34Å; Q328-F330 PolarHBondContact O-N 3.46Å; Q328-E331 PolarHBondContact O-N 2.85Å; Q328-L339 HydrophobicContact CB-CD1 4.3Å; Q328-L339 HydrophobicContact CB-CD2 4.11Å; Q328-L339 HydrophobicContact CG-CD1 4.43Å
329L86.1Confident84.9Confident2 Ų259 Ų591%0.0128%0.279CS..Hα-helixtrans-58.5-43.2-178.4-179.461.9000112.2T257 L258 E271 M274 L285 H325 A326T257-L329 HydrophobicContact CG2-CD1 4.1Å; T257-L329 HydrophobicContact CG2-CD2 3.89Å; L258-L329 HydrophobicContact CD2-CD2 4.09Å; L258-L329 HydrophobicContact CG-CD2 4.22Å; E271-L329 HydrophobicContact CB-CD1 4.49Å; E271-L329 HydrophobicContact CG-CD1 3.87Å; M274-L329 HydrophobicContact CE-CD2 4.36Å; M274-L329 HydrophobicContact SD-CD2 4.42Å; L285-L329 WeakPolarHBondContact CD1-O 3.38Å; H325-L329 WeakPolarHBondContact O-CB 3.42Å; H325-L329 PolarHBondContact O-N 3.49Å; A326-L329 PolarHBondContact O-N 3.26Å
330F88Confident84.8Confident0 Ų060.3 Ų60.30%029%0.288CS..THydrogen-bonded Turntrans-97.917-177.6-58.1-61.5000113.9L258 M274 F289 L296 A326 Q328 F332L258-F330 HydrophobicContact CD1-CE2 4.41Å; M274-F330 HydrophobicContact CE-CE1 3.92Å; M274-F330 HydrophobicContact CE-CZ 4.42Å; F289-F330 HydrophobicContact CB-CB 3.97Å; F289-F330 HydrophobicContact CB-CD1 3.6Å; F289-F330 HydrophobicContact CB-CE1 4.18Å; F289-F330 HydrophobicContact CB-CG 3.82Å; F289-F330 HydrophobicContact CD2-CB 4.02Å; F289-F330 AromaticContact CD2-CD1 3.84Å; F289-F330 HydrophobicContact CD2-CD1 3.84Å; F289-F330 AromaticContact CD2-CD2 3.38Å; F289-F330 HydrophobicContact CD2-CD2 3.38Å; F289-F330 HydrophobicContact CD2-CE1 4.08Å; F289-F330 AromaticContact CD2-CE2 3.67Å; F289-F330 HydrophobicContact CD2-CE2 3.67Å; F289-F330 AromaticContact CD2-CG 3.47Å; F289-F330 HydrophobicContact CD2-CG 3.47Å; F289-F330 VanDerWaalsContact CD2-CG 3.47Å; F289-F330 HydrophobicContact CD2-CZ 4Å; F289-F330 AromaticContact CE2-CD2 3.89Å; F289-F330 HydrophobicContact CE2-CD2 3.89Å; F289-F330 HydrophobicContact CE2-CE2 4.12Å; F289-F330 HydrophobicContact CE2-CG 4.37Å; F289-F330 HydrophobicContact CG-CB 4.07Å; F289-F330 HydrophobicContact CG-CD1 4.13Å; F289-F330 HydrophobicContact CG-CD2 4.26Å; F289-F330 AromaticContact CG-CG 3.91Å; F289-F330 HydrophobicContact CG-CG 3.91Å; L296-F330 HydrophobicContact CD1-CE1 4.17Å; L296-F330 HydrophobicContact CD1-CZ 3.9Å; L296-F330 HydrophobicContact CD2-CZ 4.33Å; A326-F330 VanDerWaalsContact O-CD2 3.28Å; A326-F330 WeakPolarHBondContact O-CD2 2.64Å; A326-F330 PolarHBondContact O-N 3.12Å; Q328-F330 VanDerWaalsContact C-N 3.34Å; Q328-F330 PolarHBondContact O-N 3.46Å; F330-F332 VanDerWaalsContact C-N 3.29Å; F330-F332 HydrophobicContact CB-CD2 3.75Å; F330-F332 HydrophobicContact CB-CE2 3.8Å; F330-F332 VanDerWaalsContact O-CD2 3.27Å; F330-F332 WeakPolarHBondContact O-CD2 3.4Å; F330-F332 PolarHBondContact O-N 2.98Å
331E83.3Confident84.7Confident97 Ų9760 Ų6045%0.45329%0.285SS..THydrogen-bonded Turntrans57.934173.1-52.1175.3145.900114.2A327 Q328 R333A327-E331 PolarHBondContact O-N 3.31Å; Q328-E331 PolarHBondContact O-N 2.85Å; E331-R333 PolarHBondContact O-N 3.39Å
332F83.8Confident84.7Confident1 Ų158.3 Ų58.30%0.00428%0.276CS..  trans-80.3105.4175.7-81.8-110.7000111.1F289 A327 F330 F344 K347 N348F289-F332 AromaticContact CD1-CE2 3.58Å; F289-F332 HydrophobicContact CD1-CE2 3.58Å; F289-F332 AromaticContact CD1-CZ 3.56Å; F289-F332 HydrophobicContact CD1-CZ 3.56Å; F289-F332 HydrophobicContact CD2-CE2 4.46Å; F289-F332 AromaticContact CE1-CE2 3.78Å; F289-F332 HydrophobicContact CE1-CE2 3.78Å; F289-F332 AromaticContact CE1-CZ 3.42Å; F289-F332 HydrophobicContact CE1-CZ 3.42Å; F289-F332 VanDerWaalsContact CE1-CZ 3.42Å; F289-F332 AromaticContact CG-CE2 3.96Å; F289-F332 HydrophobicContact CG-CE2 3.96Å; F289-F332 HydrophobicContact CG-CZ 4.38Å; F289-F332 HydrophobicContact CZ-CE2 4.29Å; F289-F332 HydrophobicContact CZ-CZ 4.12Å; A327-F332 HydrophobicContact CB-CB 4.17Å; A327-F332 PolarHBondContact O-N 3.15Å; F330-F332 VanDerWaalsContact C-N 3.29Å; F330-F332 HydrophobicContact CB-CD2 3.75Å; F330-F332 HydrophobicContact CB-CE2 3.8Å; F330-F332 VanDerWaalsContact O-CD2 3.27Å; F330-F332 WeakPolarHBondContact O-CD2 3.4Å; F330-F332 PolarHBondContact O-N 2.98Å; F332-F344 HydrophobicContact CB-CB 4.45Å; F332-F344 HydrophobicContact CB-CD2 3.85Å; F332-F344 AromaticContact CD1-CD2 3.68Å; F332-F344 HydrophobicContact CD1-CD2 3.68Å; F332-F344 HydrophobicContact CD1-CE2 4.37Å; F332-F344 AromaticContact CD2-CD2 3.65Å; F332-F344 HydrophobicContact CD2-CD2 3.65Å; F332-F344 AromaticContact CD2-CE2 3.78Å; F332-F344 HydrophobicContact CD2-CE2 3.78Å; F332-F344 HydrophobicContact CE1-CD2 4.06Å; F332-F344 HydrophobicContact CE1-CE2 4.38Å; F332-F344 HydrophobicContact CE2-CD2 4.05Å; F332-F344 AromaticContact CE2-CE2 3.81Å; F332-F344 HydrophobicContact CE2-CE2 3.81Å; F332-F344 AromaticContact CG-CD2 3.47Å; F332-F344 HydrophobicContact CG-CD2 3.47Å; F332-F344 VanDerWaalsContact CG-CD2 3.47Å; F332-F344 HydrophobicContact CG-CE2 4.09Å; F332-F344 HydrophobicContact CZ-CD2 4.24Å; F332-F344 HydrophobicContact CZ-CE2 4.12Å; F332-K347 HydrophobicContact CD1-CB 4.43Å; F332-K347 HydrophobicContact CD1-CD 3.89Å; F332-K347 HydrophobicContact CE1-CB 4Å; F332-K347 HydrophobicContact CE1-CD 4.02Å; F332-N348 WeakPolarHBondContact CE1-ND2 3.29Å; F332-N348 WeakPolarHBondContact CZ-ND2 3.41Å
333R83.2Confident84.7Confident109 Ų10959 Ų5941%0.41128%0.281SS..BIsolated β-bridgetrans-110.9152.8172.7-56.9-176.3-172.8-77.3-4.6111.8E331 K347E331-R333 PolarHBondContact O-N 3.39Å; R333-K347 PolarHBondContact O-NZ 3Å
334D78.9Confident84.6Confident41 Ų4159 Ų5922%0.21928%0.281CS..  trans-79.9-177172.374.29.2000112.2Q336 Q337 R338 C343D334-Q336 PolarHBondContact O-N 3.17Å; D334-Q336 VanDerWaalsContact OD1-C 3.23Å; D334-Q336 VanDerWaalsContact OD1-CA 3.31Å; D334-Q336 WeakPolarHBondContact OD1-CA 3.32Å; D334-Q336 PolarHBondContact OD1-N 3.34Å; D334-Q337 PolarHBondContact O-N 2.84Å; D334-Q337 PolarHBondContact OD1-N 3.12Å; D334-R338 PolarHBondContact N-O 3Å; D334-R338 PolarHBondContact OD1-N 2.55Å; D334-C343 HydrophobicContact CB-CB 4.24Å
335Q74.8Confident84.7Confident204 Ų20455.5 Ų55.595%0.95326%0.263SS*.THydrogen-bonded Turntrans-62.1-22.4179.6-69.7178.5-15.200113.3
336Q78.9Confident84.7Confident131 Ų13160.9 Ų60.961%0.61229%0.286SS*.THydrogen-bonded Turntrans-99.314.1178.2-63176.8-4.900112D334 R338D334-Q336 PolarHBondContact O-N 3.17Å; D334-Q336 VanDerWaalsContact OD1-C 3.23Å; D334-Q336 VanDerWaalsContact OD1-CA 3.31Å; D334-Q336 WeakPolarHBondContact OD1-CA 3.32Å; D334-Q336 PolarHBondContact OD1-N 3.34Å; Q336-R338 HydrophobicContact CB-CG 4.27Å; Q336-R338 PolarHBondContact O-N 2.98Å
337Q77.3Confident84.7Confident137 Ų13765.5 Ų65.564%0.6431%0.306SS*.SBendtrans63.417.1-177.4-61.2-68.2-18.400115D334D334-Q337 PolarHBondContact O-N 2.84Å; D334-Q337 PolarHBondContact OD1-N 3.12Å
338R83Confident84.8Confident162 Ų16265.8 Ų65.861%0.61131%0.307SS*.  trans-88.7145.9178.7-58.6177.1178.2-179.8-1.1111D334 Q336D334-R338 PolarHBondContact N-O 3Å; D334-R338 PolarHBondContact OD1-N 2.55Å; Q336-R338 HydrophobicContact CB-CG 4.27Å; Q336-R338 PolarHBondContact O-N 2.98Å
339L82.6Confident85Confident61 Ų6161.2 Ų61.232%0.31929%0.286SS..BIsolated β-bridgetrans-73.8126.1170.4-73.5164.1000108.5L324 A327 Q328L324-L339 HydrophobicContact CD1-CB 3.81Å; A327-L339 HydrophobicContact CB-CD2 4.43Å; Q328-L339 HydrophobicContact CB-CD1 4.3Å; Q328-L339 HydrophobicContact CB-CD2 4.11Å; Q328-L339 HydrophobicContact CG-CD1 4.43Å
340S85.4Confident85.2Confident26 Ų2664.1 Ų64.118%0.18230%0.299CS..  trans-145.7117.9-178169.10000110.5S342 C343 F344S340-S342 VanDerWaalsContact C-N 3.25Å; S340-S342 PolarHBondContact O-N 3.43Å; S340-S342 PolarHBondContact OG-N 3.37Å; S340-S342 PolarHBondContact OG-OG 3.43Å; S340-C343 WeakPolarHBondContact O-CB 3.3Å; S340-C343 PolarHBondContact O-N 3.17Å; S340-C343 PolarHBondContact OG-N 3.38Å; S340-F344 PolarHBondContact O-N 2.93Å
341A86.1Confident85.3Confident12 Ų1265.8 Ų65.810%0.09931%0.307CS..Hα-helixtrans-58.6-37.8174.200000111.7L323 F344 L345 M374L323-A341 HydrophobicContact CB-CB 3.75Å; A341-F344 PolarHBondContact O-N 2.95Å; A341-L345 WeakPolarHBondContact O-CB 3.43Å; A341-L345 WeakPolarHBondContact O-CG 3.35Å; A341-L345 PolarHBondContact O-N 3.15Å; A341-M374 HydrophobicContact CB-CE 3.75Å
342S86.5Confident85.8Confident42 Ų4261.2 Ų61.229%0.29429%0.286SS..Hα-helixtrans-69.4-34.717864.20000112.4S340 K346S340-S342 VanDerWaalsContact C-N 3.25Å; S340-S342 PolarHBondContact O-N 3.43Å; S340-S342 PolarHBondContact OG-N 3.37Å; S340-S342 PolarHBondContact OG-OG 3.43Å; S342-K346 WeakPolarHBondContact O-CB 3.48Å; S342-K346 WeakPolarHBondContact O-CG 3.3Å; S342-K346 PolarHBondContact O-N 3.35Å
343C87.1Confident86.2Confident23 Ų2361.1 Ų61.116%0.15529%0.286CS..Hα-helixtrans-66.6-45173.1-1760000111.6D334 S340 K346 K347D334-C343 HydrophobicContact CB-CB 4.24Å; S340-C343 WeakPolarHBondContact O-CB 3.3Å; S340-C343 PolarHBondContact O-N 3.17Å; S340-C343 PolarHBondContact OG-N 3.38Å; C343-K346 PolarHBondContact O-N 2.9Å; C343-K347 PolarHBondContact O-N 3.46Å
344F89.9Confident86.7Confident0 Ų056.3 Ų56.30%027%0.268CS..Hα-helixtrans-59.2-48.4175177.1-100.3000111.4F289 M297 I300 L323 A326 A327 F332 S340 A341 K347 N348F289-F344 HydrophobicContact CE2-CE2 4.15Å; F289-F344 HydrophobicContact CE2-CZ 4.08Å; F289-F344 HydrophobicContact CZ-CE2 4.1Å; F289-F344 HydrophobicContact CZ-CZ 4.15Å; M297-F344 HydrophobicContact CE-CE1 4.01Å; M297-F344 HydrophobicContact CE-CZ 4.36Å; M297-F344 HydrophobicContact SD-CE1 4.07Å; M297-F344 HydrophobicContact SD-CZ 3.8Å; I300-F344 HydrophobicContact CD1-CZ 4.45Å; L323-F344 HydrophobicContact CD2-CD1 3.93Å; L323-F344 HydrophobicContact CD2-CE1 3.98Å; A326-F344 HydrophobicContact CB-CE1 4.01Å; A326-F344 HydrophobicContact CB-CE2 4.49Å; A326-F344 HydrophobicContact CB-CZ 3.91Å; A327-F344 HydrophobicContact CB-CB 3.82Å; A327-F344 HydrophobicContact CB-CD2 4.18Å; A327-F344 HydrophobicContact CB-CG 4.09Å; F332-F344 HydrophobicContact CB-CB 4.45Å; F332-F344 HydrophobicContact CB-CD2 3.85Å; F332-F344 AromaticContact CD1-CD2 3.68Å; F332-F344 HydrophobicContact CD1-CD2 3.68Å; F332-F344 HydrophobicContact CD1-CE2 4.37Å; F332-F344 AromaticContact CD2-CD2 3.65Å; F332-F344 HydrophobicContact CD2-CD2 3.65Å; F332-F344 AromaticContact CD2-CE2 3.78Å; F332-F344 HydrophobicContact CD2-CE2 3.78Å; F332-F344 HydrophobicContact CE1-CD2 4.06Å; F332-F344 HydrophobicContact CE1-CE2 4.38Å; F332-F344 HydrophobicContact CE2-CD2 4.05Å; F332-F344 AromaticContact CE2-CE2 3.81Å; F332-F344 HydrophobicContact CE2-CE2 3.81Å; F332-F344 AromaticContact CG-CD2 3.47Å; F332-F344 HydrophobicContact CG-CD2 3.47Å; F332-F344 VanDerWaalsContact CG-CD2 3.47Å; F332-F344 HydrophobicContact CG-CE2 4.09Å; F332-F344 HydrophobicContact CZ-CD2 4.24Å; F332-F344 HydrophobicContact CZ-CE2 4.12Å; S340-F344 PolarHBondContact O-N 2.93Å; A341-F344 PolarHBondContact O-N 2.95Å; F344-K347 PolarHBondContact O-N 2.86Å; F344-N348 WeakPolarHBondContact CD2-ND2 3.49Å; F344-N348 WeakPolarHBondContact CE2-ND2 3.31Å; F344-N348 PolarHBondContact O-N 3.4Å; F344-N348 PolarHBondContact O-ND2 2.93Å
345L90.5Very high87.3Confident0 Ų058.2 Ų58.20%027%0.272CS..Hα-helixtrans-58.3-54175.4-79.8175.4000111.7L323 A341 K347 N348 L349 I371 M374 L375L323-L345 HydrophobicContact CD1-CD1 3.52Å; L323-L345 HydrophobicContact CD1-CD2 3.87Å; L323-L345 HydrophobicContact CD1-CG 3.7Å; L323-L345 HydrophobicContact CD2-CD2 3.73Å; L323-L345 HydrophobicContact CD2-CG 4.1Å; L323-L345 HydrophobicContact CG-CD2 4.47Å; L323-L345 HydrophobicContact CG-CG 4.5Å; A341-L345 WeakPolarHBondContact O-CB 3.43Å; A341-L345 WeakPolarHBondContact O-CG 3.35Å; A341-L345 PolarHBondContact O-N 3.15Å; L345-K347 PolarHBondContact O-N 3.41Å; L345-K347 VanDerWaalsContact O-N 3.12Å; L345-N348 CarbonylContact O-C 3.42Å; L345-N348 PolarHBondContact O-N 3.29Å; L345-L349 WeakPolarHBondContact O-CG 3.48Å; L345-L349 PolarHBondContact O-N 2.73Å; L345-I371 HydrophobicContact CD1-CG1 4.3Å; L345-I371 HydrophobicContact CD1-CG2 4.41Å; L345-I371 HydrophobicContact CD2-CG1 4.41Å; L345-M374 HydrophobicContact CD1-CE 4.31Å; L345-M374 HydrophobicContact CD1-SD 4.1Å; L345-L375 HydrophobicContact CB-CD2 4.27Å
346K88.3Confident88.2Confident129 Ų12948.5 Ų48.556%0.56123%0.227SC*.Hα-helixtrans-53.1-38.1-178.7-80.8-178.8179.6179.70112.8S342 C343 L375S342-K346 WeakPolarHBondContact O-CB 3.48Å; S342-K346 WeakPolarHBondContact O-CG 3.3Å; S342-K346 PolarHBondContact O-N 3.35Å; C343-K346 PolarHBondContact O-N 2.9Å; K346-L375 HydrophobicContact CD-CD2 4.34Å; K346-L375 HydrophobicContact CG-CD1 4.42Å; K346-L375 HydrophobicContact CG-CD2 3.67Å
347K88.2Confident88.9Confident97 Ų9742.2 Ų42.242%0.42220%0.198SC..Hα-helixtrans-73.4-28178-72179.1176.5176.50113F332 R333 C343 F344 L345 H350F332-K347 HydrophobicContact CD1-CB 4.43Å; F332-K347 HydrophobicContact CD1-CD 3.89Å; F332-K347 HydrophobicContact CE1-CB 4Å; F332-K347 HydrophobicContact CE1-CD 4.02Å; R333-K347 PolarHBondContact O-NZ 3Å; C343-K347 PolarHBondContact O-N 3.46Å; F344-K347 PolarHBondContact O-N 2.86Å; L345-K347 PolarHBondContact O-N 3.41Å; L345-K347 VanDerWaalsContact O-N 3.12Å; K347-H350 PolarHBondContact O-CE1 2.91Å; K347-H350 PolarHBondContact O-ND1 3.34Å
348N91.2Very high89.4Confident6 Ų637.3 Ų37.33%0.03218%0.175CC..Hα-helixtrans-111.73.8-173-65.5-49.2000114.9F289 M297 F332 F344 L345 H350 H351 V352F289-N348 VanDerWaalsContact CE1-OD1 3.27Å; F289-N348 WeakPolarHBondContact CE1-OD1 3.1Å; F289-N348 WeakPolarHBondContact CZ-OD1 3.27Å; M297-N348 HydrophobicContact CE-CB 4.25Å; M297-N348 HydrophobicContact CG-CB 4.37Å; M297-N348 HydrophobicContact SD-CB 4.2Å; F332-N348 WeakPolarHBondContact CE1-ND2 3.29Å; F332-N348 WeakPolarHBondContact CZ-ND2 3.41Å; F344-N348 WeakPolarHBondContact CD2-ND2 3.49Å; F344-N348 WeakPolarHBondContact CE2-ND2 3.31Å; F344-N348 PolarHBondContact O-N 3.4Å; F344-N348 PolarHBondContact O-ND2 2.93Å; L345-N348 CarbonylContact O-C 3.42Å; L345-N348 PolarHBondContact O-N 3.29Å; N348-H350 PolarHBondContact O-N 3.33Å; N348-H350 VanDerWaalsContact O-N 3.09Å; N348-H351 PolarHBondContact O-N 3.09Å; N348-V352 PolarHBondContact O-N 3.21Å; N348-V352 VanDerWaalsContact O-N 3.17Å
349L91.6Very high89.6Confident6 Ų633.7 Ų33.73%0.03117%0.165CC..Hα-helixtrans-52.4-34.8-179.5-85.9175.3000113.7L345 H351 V352 L353 I371 L375 L382L345-L349 WeakPolarHBondContact O-CG 3.48Å; L345-L349 PolarHBondContact O-N 2.73Å; L349-H351 PolarHBondContact O-N 2.76Å; L349-V352 PolarHBondContact O-N 2.97Å; L349-V352 VanDerWaalsContact O-N 3.16Å; L349-L353 HydrophobicContact CD2-CD1 4.22Å; L349-L353 HydrophobicContact CD2-CG 4.15Å; L349-L353 PolarHBondContact O-N 3.41Å; L349-I371 HydrophobicContact CD2-CG2 3.95Å; L349-L375 HydrophobicContact CD1-CD1 3.68Å; L349-L375 HydrophobicContact CD2-CD1 4Å; L349-L375 HydrophobicContact CG-CD1 4.18Å; L349-L382 HydrophobicContact CD1-CD2 4.07Å
350H90.7Very high89.8Confident62 Ų6236.1 Ų36.129%0.28717%0.17SC..Hα-helixtrans-65-17.617866.5-82.3000114K347 N348 P354 Y389K347-H350 PolarHBondContact O-CE1 2.91Å; K347-H350 PolarHBondContact O-ND1 3.34Å; N348-H350 PolarHBondContact O-N 3.33Å; N348-H350 VanDerWaalsContact O-N 3.09Å; H350-P354 WeakPolarHBondContact O-CG 3.44Å; H350-Y389 HydrophobicContact CB-CD1 4.18Å; H350-Y389 HydrophobicContact CB-CD2 3.45Å; H350-Y389 VanDerWaalsContact CB-CD2 3.45Å; H350-Y389 HydrophobicContact CB-CE1 4.15Å; H350-Y389 HydrophobicContact CB-CE2 3.38Å; H350-Y389 HydrophobicContact CB-CG 3.84Å
351H91.1Very high90Very high36 Ų3636.2 Ų36.217%0.16717%0.17CC..Hα-helixtrans-98.3-31.6169.3-63.8-52.6000112.5A293 M297 N348 L349A293-H351 WeakPolarHBondContact CB-NE2 3.21Å; M297-H351 HydrophobicContact CB-CB 3.69Å; M297-H351 HydrophobicContact CG-CB 3.79Å; N348-H351 PolarHBondContact O-N 3.09Å; L349-H351 PolarHBondContact O-N 2.76Å
352V92.8Very high90Very high0 Ų039.6 Ų39.60%020%0.198CC..Hα-helixtrans-73.3-54.5-175.3175.30000112.7M297 V301 N348 L349 W355 L356 I371M297-V352 HydrophobicContact CE-CG2 3.21Å; V301-V352 HydrophobicContact CG2-CB 4.42Å; V301-V352 HydrophobicContact CG2-CG1 3.92Å; N348-V352 PolarHBondContact O-N 3.21Å; N348-V352 VanDerWaalsContact O-N 3.17Å; L349-V352 PolarHBondContact O-N 2.97Å; L349-V352 VanDerWaalsContact O-N 3.16Å; V352-W355 PolarHBondContact O-N 2.92Å; V352-L356 HydrophobicContact CG1-CD1 3.75Å; V352-L356 HydrophobicContact CG1-CG 4.33Å; V352-L356 PolarHBondContact O-N 3.44Å; V352-L356 VanDerWaalsContact O-N 3.13Å; V352-I371 HydrophobicContact CG1-CD1 3.68Å
353L93.2Very high90.1Very high0 Ų039.3 Ų39.30%019%0.194CC..Hα-helixtrans-60.6-41.4-173.2-68.4173.1000113.1L349 W355 L356 M357 L382 H386L349-L353 HydrophobicContact CD2-CD1 4.22Å; L349-L353 HydrophobicContact CD2-CG 4.15Å; L349-L353 PolarHBondContact O-N 3.41Å; L353-W355 VanDerWaalsContact C-N 3.33Å; L353-W355 PolarHBondContact O-N 3.02Å; L353-L356 HydrophobicContact CD2-CD1 4.38Å; L353-L356 PolarHBondContact O-N 3.28Å; L353-M357 WeakPolarHBondContact O-CG 3.46Å; L353-M357 PolarHBondContact O-N 3.22Å; L353-M357 VanDerWaalsContact O-N 3.09Å; L353-L382 HydrophobicContact CD1-CB 4.31Å; L353-H386 HydrophobicContact CD1-CB 3.61Å
354P93.1Very high90.2Very high7 Ų738.2 Ų38.25%0.04519%0.186CC..Hα-helixtrans-57.9-43.8176.3-24.334.6000113H350 M357 M358 Y389 V390 A393H350-P354 WeakPolarHBondContact O-CG 3.44Å; P354-M357 PolarHBondContact O-N 2.99Å; P354-M358 WeakPolarHBondContact O-CB 3.17Å; P354-M358 WeakPolarHBondContact O-CG 3.35Å; P354-M358 PolarHBondContact O-N 2.79Å; P354-Y389 WeakPolarHBondContact CG-O 3.19Å; P354-V390 HydrophobicContact CG-CG2 4.38Å; P354-A393 HydrophobicContact CB-CB 3.51Å
355W92.2Very high90.2Very high81 Ų8139.3 Ų39.331%0.30719%0.194SC..Hα-helixtrans-68.2-37.1179.3-70.6122.3000112.9G294 K298 V301 V352 L353 M357 M358 E359G294-W355 PolarHBondContact O-NE1 3.43Å; G294-W355 VanDerWaalsContact O-NE1 3.17Å; K298-W355 HydrophobicContact CB-CD2 3.92Å; K298-W355 HydrophobicContact CB-CG 4.13Å; K298-W355 HydrophobicContact CB-CZ2 4Å; K298-W355 HydrophobicContact CD-CD2 4.27Å; K298-W355 HydrophobicContact CD-CE3 4.16Å; K298-W355 HydrophobicContact CD-CH2 3.63Å; K298-W355 HydrophobicContact CD-CZ2 3.71Å; K298-W355 HydrophobicContact CD-CZ3 3.85Å; K298-W355 HydrophobicContact CG-CD2 3.66Å; K298-W355 HydrophobicContact CG-CE3 3.84Å; K298-W355 HydrophobicContact CG-CG 4.18Å; K298-W355 HydrophobicContact CG-CH2 4.12Å; K298-W355 HydrophobicContact CG-CZ2 3.92Å; K298-W355 HydrophobicContact CG-CZ3 4.07Å; V301-W355 HydrophobicContact CB-CB 4.27Å; V301-W355 HydrophobicContact CG1-CB 4.1Å; V301-W355 HydrophobicContact CG2-CB 4.26Å; V352-W355 PolarHBondContact O-N 2.92Å; L353-W355 VanDerWaalsContact C-N 3.33Å; L353-W355 PolarHBondContact O-N 3.02Å; W355-M357 VanDerWaalsContact C-N 3.33Å; W355-M357 PolarHBondContact O-N 2.81Å; W355-M358 HydrophobicContact CE3-CB 4.48Å; W355-M358 PolarHBondContact O-N 3.4Å; W355-E359 WeakPolarHBondContact O-CB 3.4Å; W355-E359 PolarHBondContact O-N 3.36Å
356L92.2Very high90.1Very high0 Ų044.4 Ų44.40%021%0.213CC..Hα-helixtrans-61.4-41.8174.5-71.7171000112.1V301 V352 L353 R360 A364 V367 H368 I371V301-L356 HydrophobicContact CG1-CD2 3.61Å; V301-L356 HydrophobicContact CG1-CG 3.99Å; V301-L356 HydrophobicContact CG2-CG 4.43Å; V352-L356 HydrophobicContact CG1-CD1 3.75Å; V352-L356 HydrophobicContact CG1-CG 4.33Å; V352-L356 PolarHBondContact O-N 3.44Å; V352-L356 VanDerWaalsContact O-N 3.13Å; L353-L356 HydrophobicContact CD2-CD1 4.38Å; L353-L356 PolarHBondContact O-N 3.28Å; L356-R360 PolarHBondContact O-N 2.97Å; L356-A364 HydrophobicContact CD2-CB 4.09Å; L356-A364 WeakPolarHBondContact O-CB 3.36Å; L356-V367 HydrophobicContact CD1-CG1 4.28Å; L356-V367 HydrophobicContact CD2-CB 3.9Å; L356-V367 HydrophobicContact CD2-CG1 3.72Å; L356-H368 HydrophobicContact CD1-CB 4.44Å; L356-I371 HydrophobicContact CD1-CD1 3.67Å
357M93.1Very high90.2Very high0 Ų038.3 Ų38.30%019%0.187CC..Hα-helixtrans-71-33.9178.5-61.3-57101.500111.9L353 P354 W355 L383 V390 V407 F410 V411 E414L353-M357 WeakPolarHBondContact O-CG 3.46Å; L353-M357 PolarHBondContact O-N 3.22Å; L353-M357 VanDerWaalsContact O-N 3.09Å; P354-M357 PolarHBondContact O-N 2.99Å; W355-M357 VanDerWaalsContact C-N 3.33Å; W355-M357 PolarHBondContact O-N 2.81Å; M357-L383 HydrophobicContact CE-CD2 4.29Å; M357-L383 HydrophobicContact CG-CD2 3.98Å; M357-L383 HydrophobicContact SD-CD1 4.41Å; M357-L383 HydrophobicContact SD-CD2 3.74Å; M357-V390 HydrophobicContact CB-CG1 3.88Å; M357-V390 HydrophobicContact CG-CG1 3.96Å; M357-V390 HydrophobicContact CG-CG2 4.22Å; M357-V407 HydrophobicContact CB-CG1 4.32Å; M357-F410 HydrophobicContact CE-CE1 3.98Å; M357-F410 HydrophobicContact SD-CD1 4.04Å; M357-F410 HydrophobicContact SD-CE1 4.13Å; M357-V411 HydrophobicContact CB-CG2 4.04Å; M357-V411 HydrophobicContact CG-CG2 3.85Å; M357-V411 HydrophobicContact SD-CG2 3.78Å; M357-E414 HydrophobicContact CE-CG 4.19Å; M357-E414 HydrophobicContact SD-CG 4.28Å
358M88.6Confident90.4Very high34 Ų3433.7 Ų33.717%0.16717%0.167CC..Hα-helixtrans-71.1-32.7176.6-70.2-69-61.800113.2P354 W355 R360 V394 S397 L399 V407P354-M358 WeakPolarHBondContact O-CB 3.17Å; P354-M358 WeakPolarHBondContact O-CG 3.35Å; P354-M358 PolarHBondContact O-N 2.79Å; W355-M358 HydrophobicContact CE3-CB 4.48Å; W355-M358 PolarHBondContact O-N 3.4Å; M358-R360 VanDerWaalsContact C-N 3.32Å; M358-V394 HydrophobicContact SD-CG2 3.76Å; M358-S397 VanDerWaalsContact CE-CB 3.45Å; M358-L399 HydrophobicContact CE-CD1 3.42Å; M358-L399 VanDerWaalsContact CE-CD1 3.42Å; M358-L399 HydrophobicContact CE-CD2 4.36Å; M358-L399 HydrophobicContact CE-CG 3.89Å; M358-L399 HydrophobicContact SD-CD1 3.83Å; M358-V407 HydrophobicContact SD-CG1 4.47Å; M358-V407 HydrophobicContact SD-CG2 4.25Å
359E87Confident90.3Very high85 Ų8537.3 Ų37.340%0.39719%0.185SC..Hα-helixtrans-70.4-27.9178.1-171.262.9-162.800112.6W355 S361 A364W355-E359 WeakPolarHBondContact O-CB 3.4Å; W355-E359 PolarHBondContact O-N 3.36Å; E359-S361 PolarHBondContact O-N 2.96Å; E359-A364 HydrophobicContact CB-CB 4.14Å; E359-A364 HydrophobicContact CG-CB 4.34Å
360R88Confident90.2Very high113 Ų11337.3 Ų37.343%0.42619%0.185SC..  trans4932.9169.162.4178.7-177.7174.310.4115L356 M358 E406 F410L356-R360 PolarHBondContact O-N 2.97Å; M358-R360 VanDerWaalsContact C-N 3.32Å; R360-E406 IonicContact CZ-OE2 3.79Å; R360-E406 IonicContact NH1-OE2 2.81Å; R360-E406 PolarHBondContact NH1-OE2 3.31Å; R360-F410 HydrophobicContact CB-CD1 4.47Å; R360-F410 HydrophobicContact CB-CD2 4.5Å; R360-F410 HydrophobicContact CB-CG 4.26Å
361S88.3Confident90.2Very high27 Ų2734.3 Ų34.319%0.18917%0.171CC..SBendtrans-108.1160.3-178.269.60000112.1E359 D363 A364 S365E359-S361 PolarHBondContact O-N 2.96Å; S361-D363 PolarHBondContact O-N 2.77Å; S361-A364 WeakPolarHBondContact O-CB 3.32Å; S361-A364 PolarHBondContact O-N 3.26Å; S361-A364 WeakPolarHBondContact OG-CB 3.37Å; S361-A364 PolarHBondContact OG-N 3.41Å; S361-S365 PolarHBondContact O-N 3.09Å; S361-S365 VanDerWaalsContact O-N 3.09Å
362A86.4Confident90.1Very high83 Ų8332.9 Ų32.969%0.68617%0.166SC*.Hα-helixtrans-60.3-32.6171.800000111.6S365 R366A362-S365 WeakPolarHBondContact O-CB 3.39Å; A362-S365 PolarHBondContact O-N 3.4Å; A362-R366 PolarHBondContact O-N 3.14Å
363D89Confident90Very high37 Ų3739.6 Ų39.620%0.19820%0.195CC..Hα-helixtrans-65.2-43.7175.2-56.3-43.1000111.1C305 V308 Q309 S361 S365 R366 V367C305-D363 HydrophobicContact CB-CB 4.07Å; V308-D363 HydrophobicContact CB-CB 4.41Å; V308-D363 HydrophobicContact CG1-CB 4.24Å; Q309-D363 WeakPolarHBondContact CG-OD2 3.19Å; Q309-D363 PolarHBondContact NE2-OD2 3.29Å; S361-D363 PolarHBondContact O-N 2.77Å; D363-S365 VanDerWaalsContact C-N 3.32Å; D363-S365 PolarHBondContact O-N 3.35Å; D363-R366 WeakPolarHBondContact O-CB 3.42Å; D363-R366 PolarHBondContact O-N 2.94Å; D363-R366 VanDerWaalsContact O-N 3.14Å; D363-V367 WeakPolarHBondContact O-CG2 3.35Å; D363-V367 PolarHBondContact O-N 2.87Å
364A89.1Confident89.8Confident0 Ų042.5 Ų42.50%021%0.209CC..Hα-helixtrans-62.3-39175.700000112.2L356 E359 S361 R366 V367 H368L356-A364 HydrophobicContact CD2-CB 4.09Å; L356-A364 WeakPolarHBondContact O-CB 3.36Å; E359-A364 HydrophobicContact CB-CB 4.14Å; E359-A364 HydrophobicContact CG-CB 4.34Å; S361-A364 WeakPolarHBondContact O-CB 3.32Å; S361-A364 PolarHBondContact O-N 3.26Å; S361-A364 WeakPolarHBondContact OG-CB 3.37Å; S361-A364 PolarHBondContact OG-N 3.41Å; A364-R366 VanDerWaalsContact C-N 3.35Å; A364-V367 PolarHBondContact O-N 3.27Å; A364-H368 WeakPolarHBondContact O-CB 3.34Å; A364-H368 PolarHBondContact O-N 3.08Å
365S89.7Confident89.6Confident23 Ų2343 Ų4316%0.16121%0.211CC..Hα-helixtrans-59.7-45.3172.2-174.60000111.3S361 A362 D363 H368 I369 E414S361-S365 PolarHBondContact O-N 3.09Å; S361-S365 VanDerWaalsContact O-N 3.09Å; A362-S365 WeakPolarHBondContact O-CB 3.39Å; A362-S365 PolarHBondContact O-N 3.4Å; D363-S365 VanDerWaalsContact C-N 3.32Å; D363-S365 PolarHBondContact O-N 3.35Å; S365-H368 WeakPolarHBondContact O-CB 3.38Å; S365-H368 PolarHBondContact O-N 2.84Å; S365-I369 WeakPolarHBondContact O-CG1 3.49Å; S365-I369 PolarHBondContact O-N 2.97Å; S365-E414 WeakPolarHBondContact CB-OE1 3.36Å; S365-E414 PolarHBondContact OG-OE1 3.39Å
366R88.9Confident89.4Confident107 Ų10742.6 Ų42.640%0.40423%0.232SC..Hα-helixtrans-64.6-44.1178.2-161.8159.7-179.5-176.6-0.2111.9V308 P312 A362 D363 A364 H368 I369 I370V308-R366 HydrophobicContact CG1-CB 4.18Å; V308-R366 HydrophobicContact CG1-CG 4.24Å; P312-R366 PolarHBondContact O-NH2 2.73Å; A362-R366 PolarHBondContact O-N 3.14Å; D363-R366 WeakPolarHBondContact O-CB 3.42Å; D363-R366 PolarHBondContact O-N 2.94Å; D363-R366 VanDerWaalsContact O-N 3.14Å; A364-R366 VanDerWaalsContact C-N 3.35Å; R366-H368 VanDerWaalsContact C-N 3.3Å; R366-H368 PolarHBondContact O-N 2.87Å; R366-I369 WeakPolarHBondContact O-CB 3.19Å; R366-I369 PolarHBondContact O-N 3.2Å; R366-I370 VanDerWaalsContact O-CG1 3.26Å; R366-I370 WeakPolarHBondContact O-CG1 3.39Å; R366-I370 PolarHBondContact O-N 3.25Å; R366-I370 VanDerWaalsContact O-N 3.08Å
367V90.6Very high89.2Confident0 Ų045.2 Ų45.20%025%0.248CC..Hα-helixtrans-59.8-40.9173175.70000111.2M304 V308 I319 L356 D363 A364 I369 I370 I371M304-V367 HydrophobicContact CB-CG1 3.95Å; M304-V367 HydrophobicContact CB-CG2 3.87Å; M304-V367 HydrophobicContact CG-CG1 4.47Å; M304-V367 HydrophobicContact SD-CG1 3.69Å; V308-V367 HydrophobicContact CG2-CG2 3.7Å; I319-V367 HydrophobicContact CD1-CG2 4.01Å; L356-V367 HydrophobicContact CD1-CG1 4.28Å; L356-V367 HydrophobicContact CD2-CB 3.9Å; L356-V367 HydrophobicContact CD2-CG1 3.72Å; D363-V367 WeakPolarHBondContact O-CG2 3.35Å; D363-V367 PolarHBondContact O-N 2.87Å; A364-V367 PolarHBondContact O-N 3.27Å; V367-I369 PolarHBondContact O-N 2.89Å; V367-I370 PolarHBondContact O-N 3.25Å; V367-I371 HydrophobicContact CG1-CD1 3.8Å; V367-I371 HydrophobicContact CG1-CG1 4.37Å; V367-I371 WeakPolarHBondContact O-CG1 3.3Å; V367-I371 PolarHBondContact O-N 3.27Å
368H91.8Very high89Confident0 Ų049.9 Ų49.90%027%0.273CS..Hα-helixtrans-62.7-40.6177.4-176.4-153000112.5L356 A364 S365 R366 I370 I371 A372 E414L356-H368 HydrophobicContact CD1-CB 4.44Å; A364-H368 WeakPolarHBondContact O-CB 3.34Å; A364-H368 PolarHBondContact O-N 3.08Å; S365-H368 WeakPolarHBondContact O-CB 3.38Å; S365-H368 PolarHBondContact O-N 2.84Å; R366-H368 VanDerWaalsContact C-N 3.3Å; R366-H368 PolarHBondContact O-N 2.87Å; H368-I370 VanDerWaalsContact C-N 3.35Å; H368-I371 PolarHBondContact O-N 2.68Å; H368-A372 WeakPolarHBondContact O-CB 3.49Å; H368-A372 PolarHBondContact O-N 2.76Å; H368-E414 IonicContact CE1-OE2 3.72Å; H368-E414 IonicContact CG-OE2 2.71Å; H368-E414 IonicContact ND1-OE2 2.91Å; H368-E414 PolarHBondContact ND1-OE2 3.18Å
369I89.5Confident89Confident83 Ų8350.8 Ų50.843%0.42628%0.275SS..Hα-helixtrans-59.8-45.7172.7-66.9165.5000110.8S365 R366 V367 A372 K373S365-I369 WeakPolarHBondContact O-CG1 3.49Å; S365-I369 PolarHBondContact O-N 2.97Å; R366-I369 WeakPolarHBondContact O-CB 3.19Å; R366-I369 PolarHBondContact O-N 3.2Å; V367-I369 PolarHBondContact O-N 2.89Å; I369-A372 WeakPolarHBondContact O-CB 3.29Å; I369-A372 PolarHBondContact O-N 3.1Å; I369-K373 WeakPolarHBondContact O-CB 3.25Å; I369-K373 PolarHBondContact O-N 3.25Å
370I88.7Confident89Confident5 Ų548 Ų483%0.02626%0.262CS..Hα-helixtrans-63-46.1-179.2-64172.4000110.4D316 I319 R366 V367 H368 A372 K373 M374D316-I370 VanDerWaalsContact OD1-CG1 3.27Å; D316-I370 WeakPolarHBondContact OD1-CG1 3.45Å; I319-I370 HydrophobicContact CD1-CD1 3.67Å; I319-I370 HydrophobicContact CD1-CG2 4.36Å; I319-I370 HydrophobicContact CG2-CG2 4.38Å; R366-I370 VanDerWaalsContact O-CG1 3.26Å; R366-I370 WeakPolarHBondContact O-CG1 3.39Å; R366-I370 PolarHBondContact O-N 3.25Å; R366-I370 VanDerWaalsContact O-N 3.08Å; V367-I370 PolarHBondContact O-N 3.25Å; H368-I370 VanDerWaalsContact C-N 3.35Å; I370-A372 VanDerWaalsContact C-N 3.34Å; I370-A372 PolarHBondContact O-N 2.69Å; I370-K373 PolarHBondContact O-N 2.58Å; I370-M374 HydrophobicContact CG2-CG 4.34Å; I370-M374 HydrophobicContact CG2-SD 4.13Å; I370-M374 WeakPolarHBondContact O-CB 3.48Å; I370-M374 VanDerWaalsContact O-CG 3.3Å; I370-M374 WeakPolarHBondContact O-CG 3.48Å; I370-M374 PolarHBondContact O-N 3.22Å
371I91.4Very high89.1Confident0 Ų045.3 Ų45.30%026%0.259CS..Hα-helixtrans-60.2-44.3175.9-69.4166.6000111L345 L349 V352 L356 V367 H368 K373 M374 L375 L382L345-I371 HydrophobicContact CD1-CG1 4.3Å; L345-I371 HydrophobicContact CD1-CG2 4.41Å; L345-I371 HydrophobicContact CD2-CG1 4.41Å; L349-I371 HydrophobicContact CD2-CG2 3.95Å; V352-I371 HydrophobicContact CG1-CD1 3.68Å; L356-I371 HydrophobicContact CD1-CD1 3.67Å; V367-I371 HydrophobicContact CG1-CD1 3.8Å; V367-I371 HydrophobicContact CG1-CG1 4.37Å; V367-I371 WeakPolarHBondContact O-CG1 3.3Å; V367-I371 PolarHBondContact O-N 3.27Å; H368-I371 PolarHBondContact O-N 2.68Å; I371-K373 VanDerWaalsContact C-N 3.34Å; I371-K373 PolarHBondContact O-N 2.94Å; I371-M374 PolarHBondContact O-N 2.92Å; I371-L375 HydrophobicContact CG2-CD1 4.03Å; I371-L375 HydrophobicContact CG2-CG 4.47Å; I371-L375 WeakPolarHBondContact O-CB 3.46Å; I371-L375 WeakPolarHBondContact O-CG 3.49Å; I371-L375 PolarHBondContact O-N 3.47Å; I371-L382 HydrophobicContact CG2-CD1 4.2Å
372A89.5Confident89.2Confident6 Ų644.5 Ų44.55%0.0525%0.253CS..Hα-helixtrans-58.9-45.6177.400000111.8H368 I369 I370 L375 G376 T377 R379 L382H368-A372 WeakPolarHBondContact O-CB 3.49Å; H368-A372 PolarHBondContact O-N 2.76Å; I369-A372 WeakPolarHBondContact O-CB 3.29Å; I369-A372 PolarHBondContact O-N 3.1Å; I370-A372 VanDerWaalsContact C-N 3.34Å; I370-A372 PolarHBondContact O-N 2.69Å; A372-L375 PolarHBondContact O-N 2.73Å; A372-G376 PolarHBondContact O-N 2.81Å; A372-G376 VanDerWaalsContact O-N 3.09Å; A372-T377 CarbonylContact C-O 3.51Å; A372-T377 WeakPolarHBondContact CB-O 3.43Å; A372-T377 PolarHBondContact O-N 3.38Å; A372-T377 VanDerWaalsContact O-O 3.05Å; A372-R379 HydrophobicContact CB-CG 4.09Å; A372-L382 HydrophobicContact CB-CD1 3.89Å
373K89.8Confident89.4Confident141 Ų14140.5 Ų40.561%0.61322%0.22SC*.Hα-helixtrans-62.4-46.7175.5-174.4-177.9175.7-170.90112.1D316 I369 I370 I371 L375 G376D316-K373 IonicContact OD2-NZ 3.1Å; D316-K373 PolarHBondContact OD2-NZ 3.38Å; I369-K373 WeakPolarHBondContact O-CB 3.25Å; I369-K373 PolarHBondContact O-N 3.25Å; I370-K373 PolarHBondContact O-N 2.58Å; I371-K373 VanDerWaalsContact C-N 3.34Å; I371-K373 PolarHBondContact O-N 2.94Å; K373-L375 PolarHBondContact O-N 3.04Å; K373-G376 PolarHBondContact O-N 3.32Å
374M88.1Confident89.4Confident61 Ų6138.9 Ų38.930%0.321%0.212SC..Hα-helixtrans-61.8-29.9178.6-73.1-177.47900113.2L323 A341 L345 I370 I371L323-M374 HydrophobicContact CD1-CE 4.07Å; L323-M374 HydrophobicContact CD1-SD 4.11Å; A341-M374 HydrophobicContact CB-CE 3.75Å; L345-M374 HydrophobicContact CD1-CE 4.31Å; L345-M374 HydrophobicContact CD1-SD 4.1Å; I370-M374 HydrophobicContact CG2-CG 4.34Å; I370-M374 HydrophobicContact CG2-SD 4.13Å; I370-M374 WeakPolarHBondContact O-CB 3.48Å; I370-M374 VanDerWaalsContact O-CG 3.3Å; I370-M374 WeakPolarHBondContact O-CG 3.48Å; I370-M374 PolarHBondContact O-N 3.22Å; I371-M374 PolarHBondContact O-N 2.92Å
375L90.1Very high89.4Confident17 Ų1741 Ų419%0.08923%0.229CC..Hα-helixtrans-93.3-7.7179.8-63.4-174.4000114L345 K346 L349 I371 A372 K373 T377 L382L345-L375 HydrophobicContact CB-CD2 4.27Å; K346-L375 HydrophobicContact CD-CD2 4.34Å; K346-L375 HydrophobicContact CG-CD1 4.42Å; K346-L375 HydrophobicContact CG-CD2 3.67Å; L349-L375 HydrophobicContact CD1-CD1 3.68Å; L349-L375 HydrophobicContact CD2-CD1 4Å; L349-L375 HydrophobicContact CG-CD1 4.18Å; I371-L375 HydrophobicContact CG2-CD1 4.03Å; I371-L375 HydrophobicContact CG2-CG 4.47Å; I371-L375 WeakPolarHBondContact O-CB 3.46Å; I371-L375 WeakPolarHBondContact O-CG 3.49Å; I371-L375 PolarHBondContact O-N 3.47Å; A372-L375 PolarHBondContact O-N 2.73Å; K373-L375 PolarHBondContact O-N 3.04Å; L375-T377 HydrophobicContact CB-CG2 4.49Å; L375-L382 HydrophobicContact CD1-CD1 4.49Å; L375-L382 HydrophobicContact CD1-CD2 4.02Å
376G87.5Confident89.6Confident72 Ų7241.5 Ų41.574%0.74223%0.229SC*.THydrogen-bonded Turntrans67.334.7-176.300000113A372 K373A372-G376 PolarHBondContact O-N 2.81Å; A372-G376 VanDerWaalsContact O-N 3.09Å; K373-G376 PolarHBondContact O-N 3.32Å
377T89Confident89.8Confident56 Ų5636.5 Ų36.534%0.34421%0.21SC..  trans-132.2166.2-175.156.60000111.3A372 L375 L382A372-T377 CarbonylContact C-O 3.51Å; A372-T377 WeakPolarHBondContact CB-O 3.43Å; A372-T377 PolarHBondContact O-N 3.38Å; A372-T377 VanDerWaalsContact O-O 3.05Å; L375-T377 HydrophobicContact CB-CG2 4.49Å; T377-L382 VanDerWaalsContact OG1-CD2 3.3Å; T377-L382 WeakPolarHBondContact OG1-CD2 3.42Å; T377-L382 VanDerWaalsContact OG1-CG 3.27Å; T377-L382 WeakPolarHBondContact OG1-CG 3.46Å
378N87.6Confident89.9Confident97 Ų9738.9 Ų38.952%0.51922%0.219SC..  trans-89.4151.3174.4-63.1-45.1000111.8H380 C381 L382N378-H380 WeakPolarHBondContact CB-CE1 3.48Å; N378-H380 PolarHBondContact O-N 3.45Å; N378-C381 HydrophobicContact CB-CB 4.39Å; N378-C381 WeakPolarHBondContact O-CB 3.18Å; N378-C381 PolarHBondContact O-N 3.31Å; N378-C381 VanDerWaalsContact O-N 3.12Å; N378-L382 PolarHBondContact O-N 3.13Å
379R89.3Confident90Very high54 Ų5440.8 Ų40.820%0.20423%0.227CC..Hα-helixtrans-51.3-51175.6-68.2-166.5-61.4177.2-1.8112.9A372 C381 L382 L383 E414 K416A372-R379 HydrophobicContact CB-CG 4.09Å; R379-C381 VanDerWaalsContact C-N 3.33Å; R379-C381 PolarHBondContact O-N 2.82Å; R379-L382 PolarHBondContact O-N 2.64Å; R379-L383 PolarHBondContact O-N 3.47Å; R379-E414 WeakPolarHBondContact CD-OE2 3.5Å; R379-E414 IonicContact CZ-OE2 3.93Å; R379-E414 PolarHBondContact NE-O 2.81Å; R379-E414 IonicContact NE-OE2 3.3Å; R379-E414 IonicContact NH1-OE1 3.46Å; R379-E414 PolarHBondContact NH1-OE1 2.83Å; R379-E414 IonicContact NH1-OE2 3.71Å; R379-E414 PolarHBondContact NH1-OE2 3.24Å; R379-K416 PolarHBondContact NH2-O 3.39Å; R379-K416 VanDerWaalsContact NH2-O 3.15Å
380H87.7Confident90.2Very high26 Ų2636.9 Ų36.912%0.1221%0.207CC..Hα-helixtrans-63.8-36179.761.3-96.1000112.6N378 A384 V417 W428N378-H380 WeakPolarHBondContact CB-CE1 3.48Å; N378-H380 PolarHBondContact O-N 3.45Å; H380-A384 WeakPolarHBondContact O-CB 3.46Å; H380-A384 PolarHBondContact O-N 3.16Å; H380-V417 VanDerWaalsContact CE1-CG2 3.48Å; H380-V417 WeakPolarHBondContact CE1-CG2 3.13Å; H380-V417 WeakPolarHBondContact ND1-CG2 3.17Å; H380-W428 HydrophobicContact CB-CD2 3.89Å; H380-W428 HydrophobicContact CB-CG 4.07Å; H380-W428 HydrophobicContact CB-CZ2 4.18Å; H380-W428 AromaticContact CD2-CE2 3.54Å; H380-W428 AromaticContact CD2-CZ2 3.3Å; H380-W428 WeakPolarHBondContact CD2-CZ2 3.47Å; H380-W428 AromaticContact CD2-NE1 3.66Å; H380-W428 AromaticContact CG-CE2 3.75Å; H380-W428 AromaticContact CG-CZ2 3.98Å; H380-W428 AromaticContact CG-NE1 3.62Å
381C88.8Confident90.4Very high56 Ų5636.7 Ų36.738%0.37821%0.206SC..Hα-helixtrans-67.1-41.4176.1-66.30000111.6N378 R379 A384 A385N378-C381 HydrophobicContact CB-CB 4.39Å; N378-C381 WeakPolarHBondContact O-CB 3.18Å; N378-C381 PolarHBondContact O-N 3.31Å; N378-C381 VanDerWaalsContact O-N 3.12Å; R379-C381 VanDerWaalsContact C-N 3.33Å; R379-C381 PolarHBondContact O-N 2.82Å; C381-A384 PolarHBondContact O-N 3.32Å; C381-A385 WeakPolarHBondContact O-CB 3.35Å; C381-A385 PolarHBondContact O-N 3.28Å
382L89.8Confident90.4Very high10 Ų1037.7 Ų37.75%0.05221%0.211CC..Hα-helixtrans-62.1-47.4176.4-75.1-178.9000111.3L349 L353 I371 A372 L375 T377 N378 R379 A385 H386L349-L382 HydrophobicContact CD1-CD2 4.07Å; L353-L382 HydrophobicContact CD1-CB 4.31Å; I371-L382 HydrophobicContact CG2-CD1 4.2Å; A372-L382 HydrophobicContact CB-CD1 3.89Å; L375-L382 HydrophobicContact CD1-CD1 4.49Å; L375-L382 HydrophobicContact CD1-CD2 4.02Å; T377-L382 VanDerWaalsContact OG1-CD2 3.3Å; T377-L382 WeakPolarHBondContact OG1-CD2 3.42Å; T377-L382 VanDerWaalsContact OG1-CG 3.27Å; T377-L382 WeakPolarHBondContact OG1-CG 3.46Å; N378-L382 PolarHBondContact O-N 3.13Å; R379-L382 PolarHBondContact O-N 2.64Å; L382-A385 PolarHBondContact O-N 3.4Å; L382-H386 PolarHBondContact O-N 3.4Å; L382-H386 PolarHBondContact O-ND1 3.07Å
383L91.6Very high90.4Very high0 Ų038.8 Ų38.80%022%0.22CC..Hα-helixtrans-60.8-50.6175.2-74172.4000111.1M357 R379 A385 H386 F387 V411 E414 Y433M357-L383 HydrophobicContact CE-CD2 4.29Å; M357-L383 HydrophobicContact CG-CD2 3.98Å; M357-L383 HydrophobicContact SD-CD1 4.41Å; M357-L383 HydrophobicContact SD-CD2 3.74Å; R379-L383 PolarHBondContact O-N 3.47Å; L383-A385 VanDerWaalsContact C-N 3.29Å; L383-A385 PolarHBondContact O-N 2.85Å; L383-H386 CarbonylContact O-C 3.44Å; L383-H386 PolarHBondContact O-N 3.23Å; L383-F387 VanDerWaalsContact O-CA 3.28Å; L383-F387 WeakPolarHBondContact O-CA 3.37Å; L383-F387 VanDerWaalsContact O-CB 3.27Å; L383-F387 WeakPolarHBondContact O-CB 3.41Å; L383-F387 PolarHBondContact O-N 3.28Å; L383-V411 HydrophobicContact CD1-CG1 4.36Å; L383-E414 HydrophobicContact CD1-CB 3.87Å; L383-Y433 HydrophobicContact CB-CE1 3.82Å
384A89.8Confident90.4Very high2 Ų232.1 Ų32.12%0.01719%0.191CC..Hα-helixtrans-57.4-40.6-179.900000112.8H380 C381 H386 W428 Y433 W436H380-A384 WeakPolarHBondContact O-CB 3.46Å; H380-A384 PolarHBondContact O-N 3.16Å; C381-A384 PolarHBondContact O-N 3.32Å; A384-H386 VanDerWaalsContact C-N 3.31Å; A384-H386 PolarHBondContact O-N 3.35Å; A384-W428 HydrophobicContact CB-CH2 4.05Å; A384-W428 HydrophobicContact CB-CZ3 3.7Å; A384-Y433 HydrophobicContact CB-CD1 3.99Å; A384-Y433 HydrophobicContact CB-CE1 4.11Å; A384-W436 HydrophobicContact CB-CD2 4.13Å; A384-W436 HydrophobicContact CB-CG 3.96Å
385A88.9Confident90.5Very high45 Ų4529.2 Ų29.237%0.37218%0.177SC..Hα-helixtrans-71.1-21.9178.500000114.3C381 L382 L383C381-A385 WeakPolarHBondContact O-CB 3.35Å; C381-A385 PolarHBondContact O-N 3.28Å; L382-A385 PolarHBondContact O-N 3.4Å; L383-A385 VanDerWaalsContact C-N 3.29Å; L383-A385 PolarHBondContact O-N 2.85Å
386H92.2Very high90.5Very high33 Ų3330.3 Ų30.315%0.15318%0.182CC..Hα-helixtrans-123.47.1-174-6386.1000113.9L353 L382 L383 A384 R388 Y389L353-H386 HydrophobicContact CD1-CB 3.61Å; L382-H386 PolarHBondContact O-N 3.4Å; L382-H386 PolarHBondContact O-ND1 3.07Å; L383-H386 CarbonylContact O-C 3.44Å; L383-H386 PolarHBondContact O-N 3.23Å; A384-H386 VanDerWaalsContact C-N 3.31Å; A384-H386 PolarHBondContact O-N 3.35Å; H386-R388 PolarHBondContact O-N 3.29Å; H386-R388 VanDerWaalsContact O-N 3.14Å; H386-Y389 HydrophobicContact CB-CD2 4.04Å; H386-Y389 AromaticContact CD2-CE2 3.99Å; H386-Y389 WeakPolarHBondContact O-CD2 3.41Å; H386-Y389 PolarHBondContact O-N 3.07Å
387F93.8Very high90.3Very high2 Ų227.8 Ų27.81%0.00915%0.153CC..Hα-helixtrans-57.8-35.6-170.8-176.7-111.4000112.7L383 Y389 V390 L391 V411 I430 Y433 L434L383-F387 VanDerWaalsContact O-CA 3.28Å; L383-F387 WeakPolarHBondContact O-CA 3.37Å; L383-F387 VanDerWaalsContact O-CB 3.27Å; L383-F387 WeakPolarHBondContact O-CB 3.41Å; L383-F387 PolarHBondContact O-N 3.28Å; F387-Y389 PolarHBondContact O-N 2.86Å; F387-Y389 VanDerWaalsContact O-N 3.14Å; F387-V390 HydrophobicContact CD2-CB 4.46Å; F387-V390 WeakPolarHBondContact O-CA 3.47Å; F387-V390 WeakPolarHBondContact O-CB 2.9Å; F387-V390 PolarHBondContact O-N 3.35Å; F387-L391 HydrophobicContact CE1-CD1 4.43Å; F387-L391 WeakPolarHBondContact O-CB 3.48Å; F387-L391 PolarHBondContact O-N 3.48Å; F387-V411 HydrophobicContact CD2-CG1 4.44Å; F387-V411 HydrophobicContact CE2-CG1 4.09Å; F387-I430 HydrophobicContact CE2-CD1 4.18Å; F387-I430 HydrophobicContact CZ-CD1 4.13Å; F387-I430 HydrophobicContact CZ-CG2 4.15Å; F387-Y433 HydrophobicContact CD2-CG 4.23Å; F387-Y433 HydrophobicContact CG-CG 4.44Å; F387-L434 HydrophobicContact CD1-CD2 4.39Å; F387-L434 HydrophobicContact CE1-CD2 3.73Å; F387-L434 HydrophobicContact CE1-CG 3.93Å
388R93.8Very high89.9Confident50 Ų5031.2 Ų31.219%0.18917%0.169CC..Hα-helixtrans-53.2-34.217565-172.6177.1-113.5-6.4114.1H386 L392 D437 C441 E444H386-R388 PolarHBondContact O-N 3.29Å; H386-R388 VanDerWaalsContact O-N 3.14Å; R388-L392 WeakPolarHBondContact O-CB 3.04Å; R388-L392 PolarHBondContact O-N 3.31Å; R388-D437 IonicContact NH1-OD2 3.8Å; R388-D437 PolarHBondContact NH1-OD2 3.46Å; R388-C441 HydrophobicContact CB-CB 4.42Å; R388-E444 HydrophobicContact CB-CB 4.34Å
389Y93.6Very high89.7Confident41 Ų4128.5 Ų28.516%0.16115%0.154CC..Hα-helixtrans-79.4-32.4178.4-53-64.4000111.8H350 P354 H386 F387 L392 A393 E444H350-Y389 HydrophobicContact CB-CD1 4.18Å; H350-Y389 HydrophobicContact CB-CD2 3.45Å; H350-Y389 VanDerWaalsContact CB-CD2 3.45Å; H350-Y389 HydrophobicContact CB-CE1 4.15Å; H350-Y389 HydrophobicContact CB-CE2 3.38Å; H350-Y389 HydrophobicContact CB-CG 3.84Å; P354-Y389 WeakPolarHBondContact CG-O 3.19Å; H386-Y389 HydrophobicContact CB-CD2 4.04Å; H386-Y389 AromaticContact CD2-CE2 3.99Å; H386-Y389 WeakPolarHBondContact O-CD2 3.41Å; H386-Y389 PolarHBondContact O-N 3.07Å; F387-Y389 PolarHBondContact O-N 2.86Å; F387-Y389 VanDerWaalsContact O-N 3.14Å; Y389-L392 PolarHBondContact O-N 3.41Å; Y389-A393 WeakPolarHBondContact O-CB 3.44Å; Y389-A393 PolarHBondContact O-N 3.45Å; Y389-E444 HydrophobicContact CD1-CG 4.44Å
390V92.4Very high89.5Confident1 Ų128.9 Ų28.91%0.00617%0.165CC..Hα-helixtrans-64.5-48.9172.3-178.40000109.1P354 M357 F387 L392 A393 V394 V411P354-V390 HydrophobicContact CG-CG2 4.38Å; M357-V390 HydrophobicContact CB-CG1 3.88Å; M357-V390 HydrophobicContact CG-CG1 3.96Å; M357-V390 HydrophobicContact CG-CG2 4.22Å; F387-V390 HydrophobicContact CD2-CB 4.46Å; F387-V390 WeakPolarHBondContact O-CA 3.47Å; F387-V390 WeakPolarHBondContact O-CB 2.9Å; F387-V390 PolarHBondContact O-N 3.35Å; V390-L392 VanDerWaalsContact C-N 3.32Å; V390-L392 PolarHBondContact O-N 2.91Å; V390-A393 PolarHBondContact O-N 3.22Å; V390-V394 WeakPolarHBondContact O-CG2 3.37Å; V390-V394 PolarHBondContact O-N 2.87Å; V390-V411 HydrophobicContact CG1-CG2 4.22Å
391L92.8Very high89.2Confident0 Ų032.9 Ų32.90%019%0.188CC..Hα-helixtrans-55.9-45.3175.4-170.870000111.9F387 T395 F408 L434 C441 L445 M459 I463F387-L391 HydrophobicContact CE1-CD1 4.43Å; F387-L391 WeakPolarHBondContact O-CB 3.48Å; F387-L391 PolarHBondContact O-N 3.48Å; L391-T395 WeakPolarHBondContact O-CB 3.42Å; L391-T395 PolarHBondContact O-N 3.32Å; L391-T395 PolarHBondContact O-OG1 3.25Å; L391-F408 HydrophobicContact CD1-CE1 4.31Å; L391-F408 HydrophobicContact CD1-CZ 4.02Å; L391-L434 HydrophobicContact CD2-CD2 4.27Å; L391-C441 HydrophobicContact CD2-CB 3.78Å; L391-L445 HydrophobicContact CD2-CD1 3.85Å; L391-L445 HydrophobicContact CD2-CG 4.29Å; L391-L445 HydrophobicContact CG-CD1 4.34Å; L391-L445 HydrophobicContact CG-CD2 4.45Å; L391-M459 HydrophobicContact CD1-CE 4.19Å; L391-M459 HydrophobicContact CD1-CG 3.92Å; L391-M459 HydrophobicContact CD1-SD 3.43Å; L391-M459 WeakPolarHBondContact CD1-SD 3.16Å; L391-M459 HydrophobicContact CG-CG 4.17Å; L391-M459 HydrophobicContact CG-SD 4.31Å; L391-I463 HydrophobicContact CD2-CD1 3.89Å
392L91.8Very high89Confident22 Ų2236.2 Ų36.212%0.11520%0.202CC..Hα-helixtrans-61.1-49.3175.3-179.568.9000111.6R388 Y389 V390 V394 T395 M396 E444 L445 H448R388-L392 WeakPolarHBondContact O-CB 3.04Å; R388-L392 PolarHBondContact O-N 3.31Å; Y389-L392 PolarHBondContact O-N 3.41Å; V390-L392 VanDerWaalsContact C-N 3.32Å; V390-L392 PolarHBondContact O-N 2.91Å; L392-V394 VanDerWaalsContact C-N 3.33Å; L392-V394 PolarHBondContact O-N 3.33Å; L392-T395 WeakPolarHBondContact O-CB 3.48Å; L392-T395 PolarHBondContact O-N 3.43Å; L392-T395 VanDerWaalsContact O-N 3.15Å; L392-M396 HydrophobicContact CD1-CE 3.73Å; L392-M396 HydrophobicContact CD1-CG 3.96Å; L392-M396 HydrophobicContact CG-CG 4.25Å; L392-M396 WeakPolarHBondContact O-CB 3.49Å; L392-M396 VanDerWaalsContact O-CG 3.29Å; L392-M396 WeakPolarHBondContact O-CG 3.38Å; L392-M396 PolarHBondContact O-N 3.02Å; L392-E444 HydrophobicContact CB-CG 4.45Å; L392-E444 HydrophobicContact CD2-CG 4.03Å; L392-L445 HydrophobicContact CD1-CD2 4.4Å; L392-H448 HydrophobicContact CD1-CB 3.79Å
393A89.6Confident88.8Confident28 Ų2836.9 Ų36.923%0.23121%0.207CC..Hα-helixtrans-62.1-40.9-178.800000112.4P354 Y389 V390 T395 M396 S397P354-A393 HydrophobicContact CB-CB 3.51Å; Y389-A393 WeakPolarHBondContact O-CB 3.44Å; Y389-A393 PolarHBondContact O-N 3.45Å; V390-A393 PolarHBondContact O-N 3.22Å; A393-T395 VanDerWaalsContact C-N 3.35Å; A393-M396 PolarHBondContact O-N 2.71Å; A393-S397 VanDerWaalsContact O-CB 3.31Å; A393-S397 WeakPolarHBondContact O-CB 3.32Å; A393-S397 PolarHBondContact O-N 3.43Å
394V91.1Very high88.5Confident1 Ų138.1 Ų38.11%0.00621%0.213CC..Hα-helixtrans-60-46.5173.5171.30000110.4M358 V390 L392 M396 S397 M404 V407 F408 M459M358-V394 HydrophobicContact SD-CG2 3.76Å; V390-V394 WeakPolarHBondContact O-CG2 3.37Å; V390-V394 PolarHBondContact O-N 2.87Å; L392-V394 VanDerWaalsContact C-N 3.33Å; L392-V394 PolarHBondContact O-N 3.33Å; V394-M396 VanDerWaalsContact C-N 3.34Å; V394-M396 PolarHBondContact O-N 3.22Å; V394-S397 PolarHBondContact O-N 3.1Å; V394-S397 PolarHBondContact O-OG 3.29Å; V394-M404 HydrophobicContact CG1-CB 4.25Å; V394-M404 HydrophobicContact CG1-CE 4.17Å; V394-M404 HydrophobicContact CG1-CG 3.61Å; V394-M404 HydrophobicContact CG1-SD 4.37Å; V394-V407 HydrophobicContact CG2-CB 4.41Å; V394-V407 HydrophobicContact CG2-CG1 3.7Å; V394-F408 HydrophobicContact CG1-CE1 4.28Å; V394-F408 HydrophobicContact CG1-CZ 4.07Å; V394-F408 HydrophobicContact CG2-CE1 4.37Å; V394-M459 HydrophobicContact CG1-CE 4.11Å
395T89.9Confident88.4Confident1 Ų141.6 Ų41.61%0.00623%0.229CC..Hα-helixtrans-63.5-38.7178.6-51.70000112.5L391 L392 A393 S397 L445 R455 V456 M459L391-T395 WeakPolarHBondContact O-CB 3.42Å; L391-T395 PolarHBondContact O-N 3.32Å; L391-T395 PolarHBondContact O-OG1 3.25Å; L392-T395 WeakPolarHBondContact O-CB 3.48Å; L392-T395 PolarHBondContact O-N 3.43Å; L392-T395 VanDerWaalsContact O-N 3.15Å; A393-T395 VanDerWaalsContact C-N 3.35Å; T395-S397 VanDerWaalsContact C-N 3.34Å; T395-L445 HydrophobicContact CG2-CD2 4.19Å; T395-R455 HydrophobicContact CG2-CB 4.03Å; T395-R455 WeakPolarHBondContact O-CD 3.4Å; T395-V456 HydrophobicContact CG2-CG2 4Å; T395-M459 HydrophobicContact CG2-CB 4.11Å; T395-M459 WeakPolarHBondContact OG1-CE 3.4Å; T395-M459 WeakPolarHBondContact OG1-CG 3.43Å
396M88.7Confident88.3Confident39 Ų3943.9 Ų43.919%0.19223%0.232CC..Hα-helixtrans-83.7-9.7-178.2-63.3-56.8152.900113.6L392 A393 V394 H448 E451 R452 V456L392-M396 HydrophobicContact CD1-CE 3.73Å; L392-M396 HydrophobicContact CD1-CG 3.96Å; L392-M396 HydrophobicContact CG-CG 4.25Å; L392-M396 WeakPolarHBondContact O-CB 3.49Å; L392-M396 VanDerWaalsContact O-CG 3.29Å; L392-M396 WeakPolarHBondContact O-CG 3.38Å; L392-M396 PolarHBondContact O-N 3.02Å; A393-M396 PolarHBondContact O-N 2.71Å; V394-M396 VanDerWaalsContact C-N 3.34Å; V394-M396 PolarHBondContact O-N 3.22Å; M396-H448 HydrophobicContact CE-CB 3.46Å; M396-H448 VanDerWaalsContact CE-CB 3.46Å; M396-E451 HydrophobicContact SD-CB 4.08Å; M396-R452 PolarHBondContact O-NH1 3.36Å; M396-R452 HydrophobicContact SD-CB 4.26Å; M396-R452 HydrophobicContact SD-CG 4.19Å; M396-V456 HydrophobicContact CE-CG2 3.72Å
397S85.1Confident88.2Confident20 Ų2042.4 Ų42.414%0.1423%0.225CC..SBendtrans-78.2162176.675.40000112.7M358 A393 V394 T395 L399 R452 R455M358-S397 VanDerWaalsContact CE-CB 3.45Å; A393-S397 VanDerWaalsContact O-CB 3.31Å; A393-S397 WeakPolarHBondContact O-CB 3.32Å; A393-S397 PolarHBondContact O-N 3.43Å; V394-S397 PolarHBondContact O-N 3.1Å; V394-S397 PolarHBondContact O-OG 3.29Å; T395-S397 VanDerWaalsContact C-N 3.34Å; S397-L399 PolarHBondContact O-N 3.43Å; S397-L399 WeakPolarHBondContact OG-CD1 3.3Å; S397-L399 WeakPolarHBondContact OG-CG 3.48Å; S397-L399 PolarHBondContact OG-N 3.46Å; S397-R452 VanDerWaalsContact C-NH1 3.26Å; S397-R452 PolarHBondContact O-NH1 3.34Å; S397-R455 VanDerWaalsContact O-CZ 3.22Å; S397-R455 PolarHBondContact O-NH1 3.03Å
398N79.5Confident88.1Confident127 Ų12742.3 Ų42.368%0.67923%0.225SC*.  trans-85.519.9174.4-76-11.8000113.5R452 R455N398-R452 VanDerWaalsContact OD1-CZ 3.24Å; N398-R452 PolarHBondContact OD1-NH1 2.85Å; N398-R452 PolarHBondContact OD1-NH2 3.03Å; N398-R455 PolarHBondContact OD1-NH1 3.4Å
399L83.8Confident88Confident40 Ų4043 Ų4321%0.20923%0.233CC..  trans-62.8148.5-179-65.7179.2000111.8M358 S397 V407 R455M358-L399 HydrophobicContact CE-CD1 3.42Å; M358-L399 VanDerWaalsContact CE-CD1 3.42Å; M358-L399 HydrophobicContact CE-CD2 4.36Å; M358-L399 HydrophobicContact CE-CG 3.89Å; M358-L399 HydrophobicContact SD-CD1 3.83Å; S397-L399 PolarHBondContact O-N 3.43Å; S397-L399 WeakPolarHBondContact OG-CD1 3.3Å; S397-L399 WeakPolarHBondContact OG-CG 3.48Å; S397-L399 PolarHBondContact OG-N 3.46Å; L399-V407 HydrophobicContact CD1-CG2 3.91Å; L399-R455 PolarHBondContact O-NH2 3.37Å
400S84.8Confident87.8Confident62 Ų6242.1 Ų42.143%0.43423%0.23SC..  trans-72.2163.7163.762.90000110.1D402 S403 M404S400-D402 PolarHBondContact O-N 3.34Å; S400-S403 PolarHBondContact O-N 3.49Å; S400-S403 PolarHBondContact OG-N 3.07Å; S400-S403 PolarHBondContact OG-OG 2.95Å; S400-M404 WeakPolarHBondContact O-CB 3.48Å; S400-M404 PolarHBondContact O-N 3.04Å
401N81.6Confident87.8Confident111 Ų11142 Ų4259%0.59423%0.229SC*.Hα-helixtrans-60-35176.8-68.5-12.2000112M404 Q405N401-M404 WeakPolarHBondContact O-CB 3.46Å; N401-M404 PolarHBondContact O-N 3.29Å; N401-Q405 PolarHBondContact O-N 3.09Å
402D84Confident87.7Confident125 Ų12544 Ų4467%0.66824%0.239SC*.Hα-helixtrans-65.9-46.9175.7-58.4-32.7000111.2S400 M404 Q405 E406S400-D402 PolarHBondContact O-N 3.34Å; D402-M404 VanDerWaalsContact C-N 3.3Å; D402-M404 PolarHBondContact O-N 3.07Å; D402-Q405 WeakPolarHBondContact O-CB 3.39Å; D402-Q405 PolarHBondContact O-N 2.78Å; D402-Q405 VanDerWaalsContact O-N 3.12Å; D402-E406 WeakPolarHBondContact O-CG 3.27Å; D402-E406 PolarHBondContact O-N 3.45Å
403S85.2Confident87.5Confident25 Ų2548.1 Ų48.118%0.17526%0.257CS..Hα-helixtrans-68.3-29.2177.2-60.80000113S400 E406 V407S400-S403 PolarHBondContact O-N 3.49Å; S400-S403 PolarHBondContact OG-N 3.07Å; S400-S403 PolarHBondContact OG-OG 2.95Å; S403-E406 PolarHBondContact O-N 3.3Å; S403-V407 WeakPolarHBondContact O-CG2 3.25Å; S403-V407 PolarHBondContact O-N 3.16Å; S403-V407 VanDerWaalsContact O-N 3.08Å
404M85.9Confident87.4Confident26 Ų2647.1 Ų47.113%0.12825%0.248CC..Hα-helixtrans-61.3-46.3168.9172-176-5700110.8V394 S400 N401 D402 E406 V407 F408 M459V394-M404 HydrophobicContact CG1-CB 4.25Å; V394-M404 HydrophobicContact CG1-CE 4.17Å; V394-M404 HydrophobicContact CG1-CG 3.61Å; V394-M404 HydrophobicContact CG1-SD 4.37Å; S400-M404 WeakPolarHBondContact O-CB 3.48Å; S400-M404 PolarHBondContact O-N 3.04Å; N401-M404 WeakPolarHBondContact O-CB 3.46Å; N401-M404 PolarHBondContact O-N 3.29Å; D402-M404 VanDerWaalsContact C-N 3.3Å; D402-M404 PolarHBondContact O-N 3.07Å; M404-E406 VanDerWaalsContact C-N 3.32Å; M404-E406 PolarHBondContact O-N 3.01Å; M404-V407 PolarHBondContact O-N 3.37Å; M404-F408 HydrophobicContact CG-CD2 4.07Å; M404-F408 HydrophobicContact CG-CE2 3.62Å; M404-F408 HydrophobicContact CG-CZ 4.15Å; M404-F408 PolarHBondContact O-N 3.11Å; M404-F408 HydrophobicContact SD-CE2 4.03Å; M404-M459 HydrophobicContact CE-CE 3.75Å; M404-M459 HydrophobicContact SD-CE 3.63Å
405Q87.2Confident87Confident75 Ų7547.1 Ų47.135%0.3525%0.248SC..Hα-helixtrans-65-36.3176.9-169.860.145.600111.8N401 D402 V407 F408 N409N401-Q405 PolarHBondContact O-N 3.09Å; D402-Q405 WeakPolarHBondContact O-CB 3.39Å; D402-Q405 PolarHBondContact O-N 2.78Å; D402-Q405 VanDerWaalsContact O-N 3.12Å; Q405-V407 PolarHBondContact O-N 2.96Å; Q405-F408 PolarHBondContact O-N 3.33Å; Q405-N409 PolarHBondContact NE2-OD1 2.79Å; Q405-N409 WeakPolarHBondContact O-CB 3.36Å; Q405-N409 PolarHBondContact O-N 2.93Å; Q405-N409 PolarHBondContact O-ND2 2.99Å; Q405-N409 PolarHBondContact O-OD1 3.38Å
406E88.4Confident86.3Confident93 Ų9352.6 Ų52.644%0.43527%0.272SS..Hα-helixtrans-60.5-42.4173.4-70.9171.7161.200112.1R360 D402 S403 M404 N409 F410R360-E406 IonicContact CZ-OE2 3.79Å; R360-E406 IonicContact NH1-OE2 2.81Å; R360-E406 PolarHBondContact NH1-OE2 3.31Å; D402-E406 WeakPolarHBondContact O-CG 3.27Å; D402-E406 PolarHBondContact O-N 3.45Å; S403-E406 PolarHBondContact O-N 3.3Å; M404-E406 VanDerWaalsContact C-N 3.32Å; M404-E406 PolarHBondContact O-N 3.01Å; E406-N409 PolarHBondContact O-N 3.2Å; E406-F410 WeakPolarHBondContact O-CB 3.31Å; E406-F410 PolarHBondContact O-N 2.92Å
407V89.8Confident84.9Confident1 Ų154.3 Ų54.31%0.00628%0.284CS..Hα-helixtrans-63.5-44.5174.6173.60000110.8M357 M358 V394 L399 S403 M404 Q405 N409 F410 V411M357-V407 HydrophobicContact CB-CG1 4.32Å; M358-V407 HydrophobicContact SD-CG1 4.47Å; M358-V407 HydrophobicContact SD-CG2 4.25Å; V394-V407 HydrophobicContact CG2-CB 4.41Å; V394-V407 HydrophobicContact CG2-CG1 3.7Å; L399-V407 HydrophobicContact CD1-CG2 3.91Å; S403-V407 WeakPolarHBondContact O-CG2 3.25Å; S403-V407 PolarHBondContact O-N 3.16Å; S403-V407 VanDerWaalsContact O-N 3.08Å; M404-V407 PolarHBondContact O-N 3.37Å; Q405-V407 PolarHBondContact O-N 2.96Å; V407-N409 PolarHBondContact O-N 3.08Å; V407-F410 WeakPolarHBondContact O-CB 3.49Å; V407-F410 PolarHBondContact O-N 3.5Å; V407-V411 WeakPolarHBondContact O-CG2 3.47Å; V407-V411 PolarHBondContact O-N 3.35Å
408F91.7Very high83.5Confident0 Ų061.5 Ų61.50%032%0.315CS..Hα-helixtrans-64.4-39.4176.8-70.9-26.6000112.9L391 V394 M404 Q405 F410 V411 E412 I430 M459 Y462L391-F408 HydrophobicContact CD1-CE1 4.31Å; L391-F408 HydrophobicContact CD1-CZ 4.02Å; V394-F408 HydrophobicContact CG1-CE1 4.28Å; V394-F408 HydrophobicContact CG1-CZ 4.07Å; V394-F408 HydrophobicContact CG2-CE1 4.37Å; M404-F408 HydrophobicContact CG-CD2 4.07Å; M404-F408 HydrophobicContact CG-CE2 3.62Å; M404-F408 HydrophobicContact CG-CZ 4.15Å; M404-F408 PolarHBondContact O-N 3.11Å; M404-F408 HydrophobicContact SD-CE2 4.03Å; Q405-F408 PolarHBondContact O-N 3.33Å; F408-F410 VanDerWaalsContact C-N 3.29Å; F408-F410 PolarHBondContact O-N 3.43Å; F408-V411 WeakPolarHBondContact O-CB 3.44Å; F408-V411 PolarHBondContact O-N 3.5Å; F408-E412 WeakPolarHBondContact O-CG 3.46Å; F408-E412 PolarHBondContact O-N 3.08Å; F408-I430 HydrophobicContact CB-CD1 3.79Å; F408-I430 HydrophobicContact CB-CG1 3.86Å; F408-I430 HydrophobicContact CD1-CD1 3.84Å; F408-I430 HydrophobicContact CD1-CG1 4.46Å; F408-I430 HydrophobicContact CG-CD1 3.96Å; F408-I430 HydrophobicContact CG-CG1 4.13Å; F408-M459 HydrophobicContact CE2-CE 4.38Å; F408-M459 HydrophobicContact CZ-CE 3.9Å; F408-M459 HydrophobicContact CZ-SD 4.14Å; F408-Y462 HydrophobicContact CD2-CE1 4.01Å; F408-Y462 AromaticContact CD2-CZ 3.79Å; F408-Y462 WeakPolarHBondContact CD2-OH 3.18Å; F408-Y462 HydrophobicContact CE2-CD1 4.2Å; F408-Y462 AromaticContact CE2-CE1 3.51Å; F408-Y462 HydrophobicContact CE2-CE1 3.51Å; F408-Y462 AromaticContact CE2-CZ 3.71Å; F408-Y462 HydrophobicContact CZ-CE1 4.19Å
409N90.2Very high81.9Confident66 Ų6660 Ų6035%0.35331%0.312SS..Hα-helixtrans-61.1-40.1172.9-67.3-15.8000111.1Q405 E406 V407 E412 Q413Q405-N409 PolarHBondContact NE2-OD1 2.79Å; Q405-N409 WeakPolarHBondContact O-CB 3.36Å; Q405-N409 PolarHBondContact O-N 2.93Å; Q405-N409 PolarHBondContact O-ND2 2.99Å; Q405-N409 PolarHBondContact O-OD1 3.38Å; E406-N409 PolarHBondContact O-N 3.2Å; V407-N409 PolarHBondContact O-N 3.08Å; N409-E412 PolarHBondContact O-N 3.37Å; N409-Q413 VanDerWaalsContact O-CG 3.27Å; N409-Q413 WeakPolarHBondContact O-CG 3.49Å; N409-Q413 PolarHBondContact O-N 3.45Å
410F91.3Very high80.3Confident21 Ų2169.8 Ų69.89%0.09235%0.347CS..Hα-helixtrans-65.1-42.2174.6-174.3-103000112M357 R360 E406 V407 F408 E412 Q413 E414M357-F410 HydrophobicContact CE-CE1 3.98Å; M357-F410 HydrophobicContact SD-CD1 4.04Å; M357-F410 HydrophobicContact SD-CE1 4.13Å; R360-F410 HydrophobicContact CB-CD1 4.47Å; R360-F410 HydrophobicContact CB-CD2 4.5Å; R360-F410 HydrophobicContact CB-CG 4.26Å; E406-F410 WeakPolarHBondContact O-CB 3.31Å; E406-F410 PolarHBondContact O-N 2.92Å; V407-F410 WeakPolarHBondContact O-CB 3.49Å; V407-F410 PolarHBondContact O-N 3.5Å; F408-F410 VanDerWaalsContact C-N 3.29Å; F408-F410 PolarHBondContact O-N 3.43Å; F410-E412 VanDerWaalsContact C-N 3.33Å; F410-E412 PolarHBondContact O-N 3Å; F410-Q413 WeakPolarHBondContact O-CB 3.31Å; F410-Q413 PolarHBondContact O-N 2.69Å; F410-Q413 VanDerWaalsContact O-N 3.14Å; F410-E414 HydrophobicContact CD1-CG 4.17Å; F410-E414 HydrophobicContact CE1-CG 3.81Å; F410-E414 HydrophobicContact CZ-CG 4.02Å; F410-E414 WeakPolarHBondContact O-CG 3.41Å; F410-E414 PolarHBondContact O-N 3.08Å
411V91Very high78.4Confident0 Ų074.7 Ų74.70%036%0.363CS..Hα-helixtrans-58.6-43.9173.8171.80000111.4M357 L383 F387 V390 V407 F408 Q413 E414 G415 I430 Y433M357-V411 HydrophobicContact CB-CG2 4.04Å; M357-V411 HydrophobicContact CG-CG2 3.85Å; M357-V411 HydrophobicContact SD-CG2 3.78Å; L383-V411 HydrophobicContact CD1-CG1 4.36Å; F387-V411 HydrophobicContact CD2-CG1 4.44Å; F387-V411 HydrophobicContact CE2-CG1 4.09Å; V390-V411 HydrophobicContact CG1-CG2 4.22Å; V407-V411 WeakPolarHBondContact O-CG2 3.47Å; V407-V411 PolarHBondContact O-N 3.35Å; F408-V411 WeakPolarHBondContact O-CB 3.44Å; F408-V411 PolarHBondContact O-N 3.5Å; V411-Q413 VanDerWaalsContact C-N 3.33Å; V411-Q413 PolarHBondContact O-N 3.37Å; V411-E414 PolarHBondContact O-N 2.84Å; V411-G415 PolarHBondContact O-N 3.15Å; V411-G415 VanDerWaalsContact O-N 3.07Å; V411-I430 HydrophobicContact CB-CD1 4.29Å; V411-I430 HydrophobicContact CG1-CD1 4.12Å; V411-Y433 HydrophobicContact CG1-CD2 4.05Å; V411-Y433 HydrophobicContact CG1-CE2 3.81Å
412E90.4Very high76.8Confident42 Ų4279.3 Ų79.320%0.19638%0.381CS..Hα-helixtrans-65.1-35.3176-67.8-166.8164.800112.5F408 N409 F410 G415 K416 T429 I430F408-E412 WeakPolarHBondContact O-CG 3.46Å; F408-E412 PolarHBondContact O-N 3.08Å; N409-E412 PolarHBondContact O-N 3.37Å; F410-E412 VanDerWaalsContact C-N 3.33Å; F410-E412 PolarHBondContact O-N 3Å; E412-G415 PolarHBondContact O-N 3.22Å; E412-K416 PolarHBondContact O-N 3.33Å; E412-T429 VanDerWaalsContact OE1-CA 3.23Å; E412-T429 WeakPolarHBondContact OE1-CA 3.44Å; E412-T429 WeakPolarHBondContact OE1-CB 3.47Å; E412-I430 HydrophobicContact CG-CD1 4.16Å; E412-I430 HydrophobicContact CG-CG1 4.06Å; E412-I430 PolarHBondContact OE1-N 3.49Å
413Q87.8Confident75Confident108 Ų10882 Ų8251%0.50539%0.387SS..Hα-helixtrans-65.9-44.7174.4-72.4171.418.400111.9N409 F410 V411 G415 K416N409-Q413 VanDerWaalsContact O-CG 3.27Å; N409-Q413 WeakPolarHBondContact O-CG 3.49Å; N409-Q413 PolarHBondContact O-N 3.45Å; F410-Q413 WeakPolarHBondContact O-CB 3.31Å; F410-Q413 PolarHBondContact O-N 2.69Å; F410-Q413 VanDerWaalsContact O-N 3.14Å; V411-Q413 VanDerWaalsContact C-N 3.33Å; V411-Q413 PolarHBondContact O-N 3.37Å; Q413-G415 PolarHBondContact O-N 3.03Å; Q413-K416 WeakPolarHBondContact O-CB 3.45Å; Q413-K416 PolarHBondContact O-N 2.69Å; Q413-K416 VanDerWaalsContact O-N 3.08Å
414E87.2Confident73.3Confident7 Ų786 Ų863%0.03342%0.415CS..Hα-helixtrans-64.1-25.5176.3-72.9-59.7118.700112.9M357 S365 H368 R379 L383 F410 V411M357-E414 HydrophobicContact CE-CG 4.19Å; M357-E414 HydrophobicContact SD-CG 4.28Å; S365-E414 WeakPolarHBondContact CB-OE1 3.36Å; S365-E414 PolarHBondContact OG-OE1 3.39Å; H368-E414 IonicContact CE1-OE2 3.72Å; H368-E414 IonicContact CG-OE2 2.71Å; H368-E414 IonicContact ND1-OE2 2.91Å; H368-E414 PolarHBondContact ND1-OE2 3.18Å; R379-E414 WeakPolarHBondContact CD-OE2 3.5Å; R379-E414 IonicContact CZ-OE2 3.93Å; R379-E414 PolarHBondContact NE-O 2.81Å; R379-E414 IonicContact NE-OE2 3.3Å; R379-E414 IonicContact NH1-OE1 3.46Å; R379-E414 PolarHBondContact NH1-OE1 2.83Å; R379-E414 IonicContact NH1-OE2 3.71Å; R379-E414 PolarHBondContact NH1-OE2 3.24Å; L383-E414 HydrophobicContact CD1-CB 3.87Å; F410-E414 HydrophobicContact CD1-CG 4.17Å; F410-E414 HydrophobicContact CE1-CG 3.81Å; F410-E414 HydrophobicContact CZ-CG 4.02Å; F410-E414 WeakPolarHBondContact O-CG 3.41Å; F410-E414 PolarHBondContact O-N 3.08Å; V411-E414 PolarHBondContact O-N 2.84Å
415G82.6Confident71.7Confident1 Ų193 Ų931%0.0145%0.447CS..THydrogen-bonded Turntrans-74.6-18173.200000115.2V411 E412 Q413 V417 Y433V411-G415 PolarHBondContact O-N 3.15Å; V411-G415 VanDerWaalsContact O-N 3.07Å; E412-G415 PolarHBondContact O-N 3.22Å; Q413-G415 PolarHBondContact O-N 3.03Å; G415-V417 PolarHBondContact O-N 2.69Å; G415-Y433 WeakPolarHBondContact CA-OH 3.4Å
416K76.1Confident70.7Confident116 Ų11696.4 Ų96.450%0.50446%0.463SS..PPolyproline II helixtrans-67.5122.8178.7-65.8-179-177.3179.40110.1R379 E412 Q413R379-K416 PolarHBondContact NH2-O 3.39Å; R379-K416 VanDerWaalsContact NH2-O 3.15Å; E412-K416 PolarHBondContact O-N 3.33Å; Q413-K416 WeakPolarHBondContact O-CB 3.45Å; Q413-K416 PolarHBondContact O-N 2.69Å; Q413-K416 VanDerWaalsContact O-N 3.08Å
417V59.5Low70Confident74 Ų7498.1 Ų98.145%0.44847%0.469SS..PPolyproline II helixtrans-92.2128.1176.7179.80000108.1H380 G415H380-V417 VanDerWaalsContact CE1-CG2 3.48Å; H380-V417 WeakPolarHBondContact CE1-CG2 3.13Å; H380-V417 WeakPolarHBondContact ND1-CG2 3.17Å; G415-V417 PolarHBondContact O-N 2.69Å
418E55Low69.7Low172 Ų17299.1 Ų99.180%0.80447%0.473SS*.PPolyproline II helixtrans-66.2124.8164.7-72.9179.7170.200108.7R420E418-R420 PolarHBondContact O-N 2.96Å
419P47.3Very low69.5Low95 Ų95101.1 Ų101.162%0.61748%0.484SS*.PPolyproline II helixtrans-62.2122.6-175.823.5-31.5000110
420R49.5Very low69.4Low245 Ų24598 Ų9893%0.92547%0.468SS*.SBendtrans-81.8-27.1169.2-85.7-173.3171-179.7-2.6112.8E418E418-R420 PolarHBondContact O-N 2.96Å
421E44.4Very low69.1Low165 Ų16599 Ų9977%0.77148%0.477SS*.SBendtrans-154.7152.3175.1-63.4-177.6169.500108.7K423E421-K423 PolarHBondContact O-N 3.43Å
422E47.3Very low68.9Low208 Ų208101.1 Ų101.197%0.97249%0.491SS*.SBendtrans-58.236.3-167.8-63.3179.1147.100118.2
423K46.7Very low68.9Low183 Ų18399.2 Ų99.280%0.79648%0.481SS*.SBendtrans-102113.4172.3-67.2-177-179.7173.20109.6E421E421-K423 PolarHBondContact O-N 3.43Å
424S50.2Low69Low109 Ų10994 Ų9476%0.76246%0.457SS*.  trans9.2117170.960.80000116.7Q426S424-Q426 PolarHBondContact O-N 2.99Å
425E52.8Low69Low171 Ų17197.2 Ų97.280%0.79948%0.48SS*.  trans-48.7103.3168.1-75.4-174.415600110.8K427E425-K427 PolarHBondContact O-N 2.99Å
426Q64.5Low69.1Low148 Ų148105 Ų10569%0.69251%0.51SS*.  trans-77.993.7171.8-168.5164.33.200107.9S424 W428S424-Q426 PolarHBondContact O-N 2.99Å; Q426-W428 PolarHBondContact O-N 3.11Å
427K75.2Confident69.7Low129 Ų129101.5 Ų101.556%0.56150%0.496SS*.  trans-73113176.9-171.6179.6177.7-1740109.8E425 T429E425-K427 PolarHBondContact O-N 2.99Å; K427-T429 HydrophobicContact CG-CG2 4.38Å; K427-T429 PolarHBondContact O-N 3.09Å
428W83.8Confident71.1Confident22 Ų2298.4 Ų98.48%0.08348%0.477CS..  trans-79.8113.7171.9-72.676.7000109.6H380 A384 Q426 T432 Y433 W436H380-W428 HydrophobicContact CB-CD2 3.89Å; H380-W428 HydrophobicContact CB-CG 4.07Å; H380-W428 HydrophobicContact CB-CZ2 4.18Å; H380-W428 AromaticContact CD2-CE2 3.54Å; H380-W428 AromaticContact CD2-CZ2 3.3Å; H380-W428 WeakPolarHBondContact CD2-CZ2 3.47Å; H380-W428 AromaticContact CD2-NE1 3.66Å; H380-W428 AromaticContact CG-CE2 3.75Å; H380-W428 AromaticContact CG-CZ2 3.98Å; H380-W428 AromaticContact CG-NE1 3.62Å; A384-W428 HydrophobicContact CB-CH2 4.05Å; A384-W428 HydrophobicContact CB-CZ3 3.7Å; Q426-W428 PolarHBondContact O-N 3.11Å; W428-T432 WeakPolarHBondContact CA-OG1 3.1Å; W428-Y433 HydrophobicContact CB-CE2 3.84Å; W428-Y433 HydrophobicContact CD2-CE1 4.07Å; W428-Y433 AromaticContact CE3-CD1 3.61Å; W428-Y433 HydrophobicContact CE3-CD1 3.61Å; W428-Y433 AromaticContact CE3-CE1 3.26Å; W428-Y433 HydrophobicContact CE3-CE1 3.26Å; W428-Y433 HydrophobicContact CE3-CE2 4.38Å; W428-Y433 HydrophobicContact CE3-CG 4.3Å; W428-Y433 AromaticContact CE3-CZ 3.7Å; W428-Y433 AromaticContact CZ3-CD1 3.9Å; W428-Y433 HydrophobicContact CZ3-CD1 3.9Å; W428-Y433 AromaticContact CZ3-CE1 3.76Å; W428-Y433 HydrophobicContact CZ3-CE1 3.76Å; W428-W436 HydrophobicContact CH2-CE3 4.14Å; W428-W436 HydrophobicContact CH2-CZ3 4.28Å; W428-W436 HydrophobicContact CZ3-CE3 4.48Å
429T86.5Confident72.7Confident41 Ų4196 Ų9625%0.25246%0.461SS..  trans-103.3167.2172.666.20000111E412 K427 S431 T432 Y433E412-T429 VanDerWaalsContact OE1-CA 3.23Å; E412-T429 WeakPolarHBondContact OE1-CA 3.44Å; E412-T429 WeakPolarHBondContact OE1-CB 3.47Å; K427-T429 HydrophobicContact CG-CG2 4.38Å; K427-T429 PolarHBondContact O-N 3.09Å; T429-S431 PolarHBondContact O-N 3.44Å; T429-T432 PolarHBondContact N-OG1 3.14Å; T429-T432 WeakPolarHBondContact O-CA 3.44Å; T429-T432 WeakPolarHBondContact O-CB 3.43Å; T429-T432 PolarHBondContact O-N 2.86Å; T429-T432 PolarHBondContact O-OG1 3.28Å; T429-T432 PolarHBondContact OG1-N 3.16Å; T429-Y433 WeakPolarHBondContact O-CD2 3.29Å; T429-Y433 PolarHBondContact O-N 3.44Å; T429-Y433 VanDerWaalsContact O-N 3.08Å
430I88Confident74.7Confident2 Ų292.9 Ų92.91%0.0144%0.442CS..Hα-helixtrans-55.2-39173-61.1-57.1000112F387 F408 V411 E412 T432 Y433 L434 Y462F387-I430 HydrophobicContact CE2-CD1 4.18Å; F387-I430 HydrophobicContact CZ-CD1 4.13Å; F387-I430 HydrophobicContact CZ-CG2 4.15Å; F408-I430 HydrophobicContact CB-CD1 3.79Å; F408-I430 HydrophobicContact CB-CG1 3.86Å; F408-I430 HydrophobicContact CD1-CD1 3.84Å; F408-I430 HydrophobicContact CD1-CG1 4.46Å; F408-I430 HydrophobicContact CG-CD1 3.96Å; F408-I430 HydrophobicContact CG-CG1 4.13Å; V411-I430 HydrophobicContact CB-CD1 4.29Å; V411-I430 HydrophobicContact CG1-CD1 4.12Å; E412-I430 HydrophobicContact CG-CD1 4.16Å; E412-I430 HydrophobicContact CG-CG1 4.06Å; E412-I430 PolarHBondContact OE1-N 3.49Å; I430-T432 VanDerWaalsContact C-N 3.3Å; I430-T432 PolarHBondContact O-N 3.38Å; I430-Y433 PolarHBondContact O-N 2.8Å; I430-L434 HydrophobicContact CG2-CD1 3.92Å; I430-L434 HydrophobicContact CG2-CG 4.24Å; I430-L434 WeakPolarHBondContact O-CB 3.47Å; I430-L434 WeakPolarHBondContact O-CG 3.41Å; I430-L434 PolarHBondContact O-N 3.11Å; I430-Y462 HydrophobicContact CG2-CE1 4.05Å
431S85.5Confident76.6Confident40 Ų4081.3 Ų81.328%0.2840%0.398SS..Hα-helixtrans-61-37.4174.1-640000112.4T429 S435 N466T429-S431 PolarHBondContact O-N 3.44Å; S431-S435 VanDerWaalsContact O-CB 3.28Å; S431-S435 WeakPolarHBondContact O-CB 3.29Å; S431-S435 PolarHBondContact O-N 3.39Å; S431-S435 PolarHBondContact O-OG 3.39Å; S431-N466 PolarHBondContact OG-O 3.16Å
432T87.7Confident78.9Confident46 Ų4673.4 Ų73.428%0.28236%0.362SS..Hα-helixtrans-65.8-44175.665.10000111.7W428 T429 I430 S435 W436W428-T432 WeakPolarHBondContact CA-OG1 3.1Å; T429-T432 PolarHBondContact N-OG1 3.14Å; T429-T432 WeakPolarHBondContact O-CA 3.44Å; T429-T432 WeakPolarHBondContact O-CB 3.43Å; T429-T432 PolarHBondContact O-N 2.86Å; T429-T432 PolarHBondContact O-OG1 3.28Å; T429-T432 PolarHBondContact OG1-N 3.16Å; I430-T432 VanDerWaalsContact C-N 3.3Å; I430-T432 PolarHBondContact O-N 3.38Å; T432-S435 WeakPolarHBondContact CA-OG 3.44Å; T432-S435 PolarHBondContact O-N 3.16Å; T432-S435 PolarHBondContact O-OG 2.93Å; T432-W436 PolarHBondContact O-N 3.41Å; T432-W436 VanDerWaalsContact O-N 3.07Å
433Y90.3Very high81Confident1 Ų165.2 Ų65.20%0.00432%0.322CS..Hα-helixtrans-63.8-41.8176.4-72.4-60.6000112.7L383 A384 F387 V411 G415 W428 T429 I430 W436L383-Y433 HydrophobicContact CB-CE1 3.82Å; A384-Y433 HydrophobicContact CB-CD1 3.99Å; A384-Y433 HydrophobicContact CB-CE1 4.11Å; F387-Y433 HydrophobicContact CD2-CG 4.23Å; F387-Y433 HydrophobicContact CG-CG 4.44Å; V411-Y433 HydrophobicContact CG1-CD2 4.05Å; V411-Y433 HydrophobicContact CG1-CE2 3.81Å; G415-Y433 WeakPolarHBondContact CA-OH 3.4Å; W428-Y433 HydrophobicContact CB-CE2 3.84Å; W428-Y433 HydrophobicContact CD2-CE1 4.07Å; W428-Y433 AromaticContact CE3-CD1 3.61Å; W428-Y433 HydrophobicContact CE3-CD1 3.61Å; W428-Y433 AromaticContact CE3-CE1 3.26Å; W428-Y433 HydrophobicContact CE3-CE1 3.26Å; W428-Y433 HydrophobicContact CE3-CE2 4.38Å; W428-Y433 HydrophobicContact CE3-CG 4.3Å; W428-Y433 AromaticContact CE3-CZ 3.7Å; W428-Y433 AromaticContact CZ3-CD1 3.9Å; W428-Y433 HydrophobicContact CZ3-CD1 3.9Å; W428-Y433 AromaticContact CZ3-CE1 3.76Å; W428-Y433 HydrophobicContact CZ3-CE1 3.76Å; T429-Y433 WeakPolarHBondContact O-CD2 3.29Å; T429-Y433 PolarHBondContact O-N 3.44Å; T429-Y433 VanDerWaalsContact O-N 3.08Å; I430-Y433 PolarHBondContact O-N 2.8Å; Y433-W436 WeakPolarHBondContact O-CB 3.37Å; Y433-W436 PolarHBondContact O-N 3.2Å
434L89Confident83.2Confident0 Ų056.8 Ų56.80%029%0.286CS..Hα-helixtrans-63.3-43.8173.5-73.8171.4000111.3F387 L391 I430 W436 D437 L438 C441 I463 N466F387-L434 HydrophobicContact CD1-CD2 4.39Å; F387-L434 HydrophobicContact CE1-CD2 3.73Å; F387-L434 HydrophobicContact CE1-CG 3.93Å; L391-L434 HydrophobicContact CD2-CD2 4.27Å; I430-L434 HydrophobicContact CG2-CD1 3.92Å; I430-L434 HydrophobicContact CG2-CG 4.24Å; I430-L434 WeakPolarHBondContact O-CB 3.47Å; I430-L434 WeakPolarHBondContact O-CG 3.41Å; I430-L434 PolarHBondContact O-N 3.11Å; L434-W436 PolarHBondContact O-N 3.48Å; L434-D437 CarbonylContact O-C 3.59Å; L434-D437 PolarHBondContact O-N 3.48Å; L434-L438 WeakPolarHBondContact O-CA 3.41Å; L434-L438 VanDerWaalsContact O-CB 3.32Å; L434-L438 WeakPolarHBondContact O-CB 3.3Å; L434-L438 PolarHBondContact O-N 3.14Å; L434-C441 HydrophobicContact CD2-CB 4.43Å; L434-I463 HydrophobicContact CD1-CG1 4.24Å; L434-I463 HydrophobicContact CD1-CG2 4.43Å; L434-I463 HydrophobicContact CD2-CD1 4.34Å; L434-I463 HydrophobicContact CD2-CG1 3.91Å; L434-I463 HydrophobicContact CD2-CG2 4.37Å; L434-N466 HydrophobicContact CD1-CB 4.17Å
435S86.4Confident85.3Confident73 Ų7351.6 Ų51.651%0.5125%0.249SC..Hα-helixtrans-64.7-26-179.873.30000113.3S431 T432S431-S435 VanDerWaalsContact O-CB 3.28Å; S431-S435 WeakPolarHBondContact O-CB 3.29Å; S431-S435 PolarHBondContact O-N 3.39Å; S431-S435 PolarHBondContact O-OG 3.39Å; T432-S435 WeakPolarHBondContact CA-OG 3.44Å; T432-S435 PolarHBondContact O-N 3.16Å; T432-S435 PolarHBondContact O-OG 2.93Å
436W86.5Confident87.2Confident166 Ų16643.5 Ų43.563%0.62921%0.211SC*.Hα-helixtrans-64.3-42.9179-173.2-91.7000113A384 W428 T432 Y433 L434A384-W436 HydrophobicContact CB-CD2 4.13Å; A384-W436 HydrophobicContact CB-CG 3.96Å; W428-W436 HydrophobicContact CH2-CE3 4.14Å; W428-W436 HydrophobicContact CH2-CZ3 4.28Å; W428-W436 HydrophobicContact CZ3-CE3 4.48Å; T432-W436 PolarHBondContact O-N 3.41Å; T432-W436 VanDerWaalsContact O-N 3.07Å; Y433-W436 WeakPolarHBondContact O-CB 3.37Å; Y433-W436 PolarHBondContact O-N 3.2Å; L434-W436 PolarHBondContact O-N 3.48Å
437D87.9Confident88.6Confident41 Ų4136.6 Ų36.622%0.21918%0.179CC..SBendtrans-148.955.1-178.4-170.112.4000112R388 L434 Y439 S440 C441R388-D437 IonicContact NH1-OD2 3.8Å; R388-D437 PolarHBondContact NH1-OD2 3.46Å; L434-D437 CarbonylContact O-C 3.59Å; L434-D437 PolarHBondContact O-N 3.48Å; D437-Y439 VanDerWaalsContact C-N 3.29Å; D437-Y439 PolarHBondContact O-N 3.14Å; D437-S440 PolarHBondContact O-N 3.36Å; D437-S440 WeakPolarHBondContact OD1-CB 3.5Å; D437-S440 PolarHBondContact OD1-N 3.08Å; D437-S440 PolarHBondContact OD1-OG 3.28Å; D437-S440 WeakPolarHBondContact OD2-CB 3.41Å; D437-S440 PolarHBondContact OD2-OG 3.03Å; D437-C441 PolarHBondContact O-N 2.88Å; D437-C441 PolarHBondContact O-SG 2.84Å
438L88.4Confident89.5Confident10 Ų1031.6 Ų31.65%0.05216%0.158CC..Hα-helixtrans-54.6-45.1-175.4177.366.2000112L434 S440 C441 I442 I463 F467 F486L434-L438 WeakPolarHBondContact O-CA 3.41Å; L434-L438 VanDerWaalsContact O-CB 3.32Å; L434-L438 WeakPolarHBondContact O-CB 3.3Å; L434-L438 PolarHBondContact O-N 3.14Å; L438-S440 PolarHBondContact O-N 3.43Å; L438-C441 WeakPolarHBondContact O-CB 3.44Å; L438-C441 PolarHBondContact O-N 2.89Å; L438-I442 HydrophobicContact CD1-CD1 4Å; L438-I442 HydrophobicContact CD1-CG1 4.31Å; L438-I442 HydrophobicContact CD2-CD1 4.34Å; L438-I442 HydrophobicContact CG-CD1 3.79Å; L438-I442 HydrophobicContact CG-CG1 4.48Å; L438-I442 WeakPolarHBondContact O-CG1 3.45Å; L438-I442 PolarHBondContact O-N 3.21Å; L438-I463 HydrophobicContact CD1-CG2 3.55Å; L438-F467 HydrophobicContact CD1-CD2 4.27Å; L438-F467 HydrophobicContact CD1-CG 4.47Å; L438-F467 HydrophobicContact CD2-CD1 3.91Å; L438-F467 HydrophobicContact CD2-CD2 3.92Å; L438-F467 HydrophobicContact CD2-CE1 3.68Å; L438-F467 HydrophobicContact CD2-CE2 3.69Å; L438-F467 HydrophobicContact CD2-CG 4.02Å; L438-F467 HydrophobicContact CD2-CZ 3.57Å; L438-F486 HydrophobicContact CD2-CZ 4.35Å
439Y88.6Confident89.9Confident121 Ų12130.5 Ų30.548%0.47515%0.154SC..Hα-helixtrans-61.3-48.2-176.3-69.7-74.5000111.3D437 C441 I442 Y443 R490D437-Y439 VanDerWaalsContact C-N 3.29Å; D437-Y439 PolarHBondContact O-N 3.14Å; Y439-C441 VanDerWaalsContact C-N 3.27Å; Y439-C441 PolarHBondContact O-N 2.89Å; Y439-I442 PolarHBondContact O-N 3.09Å; Y439-Y443 HydrophobicContact CD1-CE1 4.33Å; Y439-Y443 AromaticContact CD1-CZ 3.91Å; Y439-Y443 VanDerWaalsContact CD1-OH 3.25Å; Y439-Y443 WeakPolarHBondContact CD1-OH 3.49Å; Y439-Y443 WeakPolarHBondContact O-CB 3.48Å; Y439-Y443 WeakPolarHBondContact O-CD1 3.29Å; Y439-Y443 VanDerWaalsContact O-CD2 3.3Å; Y439-Y443 WeakPolarHBondContact O-CD2 3.41Å; Y439-Y443 PolarHBondContact O-N 3Å; Y439-R490 HydrophobicContact CD1-CG 4.36Å; Y439-R490 HydrophobicContact CE1-CG 3.91Å
440S89Confident90.1Very high30 Ų3030.4 Ų30.421%0.2116%0.157CC..Hα-helixtrans-67.5-29.9179.5-52.20000112.6D437 L438 E444D437-S440 PolarHBondContact O-N 3.36Å; D437-S440 WeakPolarHBondContact OD1-CB 3.5Å; D437-S440 PolarHBondContact OD1-N 3.08Å; D437-S440 PolarHBondContact OD1-OG 3.28Å; D437-S440 WeakPolarHBondContact OD2-CB 3.41Å; D437-S440 PolarHBondContact OD2-OG 3.03Å; L438-S440 PolarHBondContact O-N 3.43Å; S440-E444 VanDerWaalsContact O-CB 3.28Å; S440-E444 WeakPolarHBondContact O-CB 3.49Å; S440-E444 PolarHBondContact O-N 3.46Å
441C91.3Very high90.2Very high1 Ų133.9 Ų33.91%0.00717%0.173CC..Hα-helixtrans-62.9-49.6172.6-64.80000111.3R388 L391 L434 D437 L438 Y439 Y443 E444 L445R388-C441 HydrophobicContact CB-CB 4.42Å; L391-C441 HydrophobicContact CD2-CB 3.78Å; L434-C441 HydrophobicContact CD2-CB 4.43Å; D437-C441 PolarHBondContact O-N 2.88Å; D437-C441 PolarHBondContact O-SG 2.84Å; L438-C441 WeakPolarHBondContact O-CB 3.44Å; L438-C441 PolarHBondContact O-N 2.89Å; Y439-C441 VanDerWaalsContact C-N 3.27Å; Y439-C441 PolarHBondContact O-N 2.89Å; C441-Y443 VanDerWaalsContact C-N 3.34Å; C441-Y443 PolarHBondContact O-N 3.31Å; C441-E444 PolarHBondContact O-N 3.44Å; C441-L445 WeakPolarHBondContact O-CG 3.49Å; C441-L445 PolarHBondContact O-N 3.42Å; C441-L445 VanDerWaalsContact O-N 3.14Å
442I91.3Very high90.3Very high0 Ų035.6 Ų35.60%017%0.173CC..Hα-helixtrans-60.7-46.1177.2-64163.8000110.3L438 Y439 E444 L445 L446 L460 F486L438-I442 HydrophobicContact CD1-CD1 4Å; L438-I442 HydrophobicContact CD1-CG1 4.31Å; L438-I442 HydrophobicContact CD2-CD1 4.34Å; L438-I442 HydrophobicContact CG-CD1 3.79Å; L438-I442 HydrophobicContact CG-CG1 4.48Å; L438-I442 WeakPolarHBondContact O-CG1 3.45Å; L438-I442 PolarHBondContact O-N 3.21Å; Y439-I442 PolarHBondContact O-N 3.09Å; I442-E444 PolarHBondContact O-N 3.24Å; I442-L445 PolarHBondContact O-N 3.13Å; I442-L446 HydrophobicContact CG2-CD1 3.81Å; I442-L446 HydrophobicContact CG2-CG 4.37Å; I442-L446 WeakPolarHBondContact O-CG 3.35Å; I442-L446 PolarHBondContact O-N 2.9Å; I442-L460 HydrophobicContact CG2-CD2 4.32Å; I442-F486 HydrophobicContact CD1-CD1 4.4Å; I442-F486 HydrophobicContact CD1-CE1 3.41Å; I442-F486 VanDerWaalsContact CD1-CE1 3.41Å; I442-F486 HydrophobicContact CD1-CZ 3.86Å; I442-F486 HydrophobicContact CG1-CE1 4.09Å
443Y92.8Very high90.3Very high35 Ų3536.7 Ų36.714%0.13718%0.175CC..Hα-helixtrans-64.8-42.6-176.2-57.5-13.9000111.4Y439 C441 L445 L446 L447 R490 V494 K497Y439-Y443 HydrophobicContact CD1-CE1 4.33Å; Y439-Y443 AromaticContact CD1-CZ 3.91Å; Y439-Y443 VanDerWaalsContact CD1-OH 3.25Å; Y439-Y443 WeakPolarHBondContact CD1-OH 3.49Å; Y439-Y443 WeakPolarHBondContact O-CB 3.48Å; Y439-Y443 WeakPolarHBondContact O-CD1 3.29Å; Y439-Y443 VanDerWaalsContact O-CD2 3.3Å; Y439-Y443 WeakPolarHBondContact O-CD2 3.41Å; Y439-Y443 PolarHBondContact O-N 3Å; C441-Y443 VanDerWaalsContact C-N 3.34Å; C441-Y443 PolarHBondContact O-N 3.31Å; Y443-L445 PolarHBondContact O-N 3.44Å; Y443-L446 PolarHBondContact O-N 2.85Å; Y443-L447 WeakPolarHBondContact O-CG 3.17Å; Y443-L447 PolarHBondContact O-N 3.32Å; Y443-R490 HydrophobicContact CE1-CB 4.46Å; Y443-V494 HydrophobicContact CD1-CB 4.24Å; Y443-V494 HydrophobicContact CD1-CG2 3.47Å; Y443-V494 VanDerWaalsContact CD1-CG2 3.47Å; Y443-V494 HydrophobicContact CE1-CB 4.45Å; Y443-V494 HydrophobicContact CE1-CG2 3.6Å; Y443-K497 HydrophobicContact CD2-CB 4.39Å; Y443-K497 HydrophobicContact CG-CB 4.46Å
444E91.5Very high90.2Very high7 Ų744.1 Ų44.13%0.03321%0.21CC..Hα-helixtrans-65.3-38.7178.8-163.670.3-175.200111.8R388 Y389 L392 S440 C441 I442 L447 H448 R501R388-E444 HydrophobicContact CB-CB 4.34Å; Y389-E444 HydrophobicContact CD1-CG 4.44Å; L392-E444 HydrophobicContact CB-CG 4.45Å; L392-E444 HydrophobicContact CD2-CG 4.03Å; S440-E444 VanDerWaalsContact O-CB 3.28Å; S440-E444 WeakPolarHBondContact O-CB 3.49Å; S440-E444 PolarHBondContact O-N 3.46Å; C441-E444 PolarHBondContact O-N 3.44Å; I442-E444 PolarHBondContact O-N 3.24Å; E444-L447 PolarHBondContact O-N 2.87Å; E444-H448 PolarHBondContact O-CD2 3.11Å; E444-R501 IonicContact OE1-CZ 2.87Å; E444-R501 IonicContact OE1-NH2 2.9Å; E444-R501 PolarHBondContact OE1-NH2 2.62Å; E444-R501 IonicContact OE2-CZ 2.8Å; E444-R501 IonicContact OE2-NH2 3.04Å; E444-R501 PolarHBondContact OE2-NH2 3.46Å
445L94.2Very high90.2Very high0 Ų047.5 Ų47.50%022%0.223CC..Hα-helixtrans-64.2-44.4174.2-71176.2000112.3L391 L392 T395 C441 I442 Y443 L447 H448 L449 V456 M459 L460 I463L391-L445 HydrophobicContact CD2-CD1 3.85Å; L391-L445 HydrophobicContact CD2-CG 4.29Å; L391-L445 HydrophobicContact CG-CD1 4.34Å; L391-L445 HydrophobicContact CG-CD2 4.45Å; L392-L445 HydrophobicContact CD1-CD2 4.4Å; T395-L445 HydrophobicContact CG2-CD2 4.19Å; C441-L445 WeakPolarHBondContact O-CG 3.49Å; C441-L445 PolarHBondContact O-N 3.42Å; C441-L445 VanDerWaalsContact O-N 3.14Å; I442-L445 PolarHBondContact O-N 3.13Å; Y443-L445 PolarHBondContact O-N 3.44Å; L445-L447 VanDerWaalsContact C-N 3.32Å; L445-L447 PolarHBondContact O-N 3.08Å; L445-H448 CarbonylContact O-C 3.59Å; L445-H448 PolarHBondContact O-N 3.32Å; L445-H448 VanDerWaalsContact O-N 3.11Å; L445-L449 PolarHBondContact O-N 3.17Å; L445-V456 HydrophobicContact CB-CG1 4.23Å; L445-M459 HydrophobicContact CD1-CB 4.29Å; L445-M459 HydrophobicContact CD1-CG 3.74Å; L445-M459 HydrophobicContact CD2-CG 4.32Å; L445-L460 HydrophobicContact CD1-CD2 4.14Å; L445-I463 HydrophobicContact CD1-CD1 3.59Å
446L94.2Very high90.4Very high1 Ų144 Ų441%0.00520%0.198CC..Hα-helixtrans-68.8-29-179.7-69.4176.1000113I442 Y443 H448 L449 L460 I487 V494 S517I442-L446 HydrophobicContact CG2-CD1 3.81Å; I442-L446 HydrophobicContact CG2-CG 4.37Å; I442-L446 WeakPolarHBondContact O-CG 3.35Å; I442-L446 PolarHBondContact O-N 2.9Å; Y443-L446 PolarHBondContact O-N 2.85Å; L446-H448 PolarHBondContact O-N 3.13Å; L446-L449 WeakPolarHBondContact O-CB 3.45Å; L446-L449 PolarHBondContact O-N 3.04Å; L446-L460 HydrophobicContact CD2-CD1 3.99Å; L446-I487 HydrophobicContact CD1-CD1 4.19Å; L446-I487 HydrophobicContact CD1-CG1 4.25Å; L446-I487 HydrophobicContact CD1-CG2 4.3Å; L446-I487 HydrophobicContact CD2-CD1 3.92Å; L446-V494 HydrophobicContact CB-CG1 4.26Å; L446-V494 HydrophobicContact CD1-CB 4.48Å; L446-V494 HydrophobicContact CD1-CG1 3.92Å; L446-V494 HydrophobicContact CD1-CG2 3.66Å; L446-S517 WeakPolarHBondContact O-CB 3.3Å
447L93.4Very high90.6Very high3 Ų336.9 Ų36.92%0.01617%0.172CC..Hα-helixtrans-60.5-28171.5-78.2176.2000112.6Y443 E444 L445 K497 F498 R501 A514 S517Y443-L447 WeakPolarHBondContact O-CG 3.17Å; Y443-L447 PolarHBondContact O-N 3.32Å; E444-L447 PolarHBondContact O-N 2.87Å; L445-L447 VanDerWaalsContact C-N 3.32Å; L445-L447 PolarHBondContact O-N 3.08Å; L447-K497 HydrophobicContact CD1-CG 3.73Å; L447-K497 HydrophobicContact CG-CG 4.28Å; L447-F498 HydrophobicContact CD2-CD1 3.58Å; L447-F498 HydrophobicContact CD2-CD2 4.14Å; L447-F498 HydrophobicContact CD2-CE1 3.61Å; L447-F498 HydrophobicContact CD2-CE2 4.19Å; L447-F498 HydrophobicContact CD2-CG 3.84Å; L447-F498 HydrophobicContact CD2-CZ 3.95Å; L447-R501 HydrophobicContact CD1-CG 3.59Å; L447-R501 VanDerWaalsContact CD1-NE 3.27Å; L447-R501 HydrophobicContact CD2-CB 4.38Å; L447-R501 HydrophobicContact CD2-CG 3.69Å; L447-R501 HydrophobicContact CG-CG 4.29Å; L447-A514 HydrophobicContact CD2-CB 4.44Å; L447-S517 VanDerWaalsContact O-CB 3.23Å; L447-S517 WeakPolarHBondContact O-CB 3.13Å; L447-S517 PolarHBondContact O-OG 3.44Å
448H93.4Very high90.6Very high23 Ų2339.5 Ų39.511%0.10618%0.183CC..THydrogen-bonded Turntrans-108.415.3-178.3-69.7-97.8000113.5L392 M396 E444 L445 L446 A450 E451L392-H448 HydrophobicContact CD1-CB 3.79Å; M396-H448 HydrophobicContact CE-CB 3.46Å; M396-H448 VanDerWaalsContact CE-CB 3.46Å; E444-H448 PolarHBondContact O-CD2 3.11Å; L445-H448 CarbonylContact O-C 3.59Å; L445-H448 PolarHBondContact O-N 3.32Å; L445-H448 VanDerWaalsContact O-N 3.11Å; L446-H448 PolarHBondContact O-N 3.13Å; H448-A450 VanDerWaalsContact C-N 3.26Å; H448-A450 PolarHBondContact O-N 3.13Å; H448-E451 IonicContact CE1-OE2 3.62Å; H448-E451 IonicContact CG-OE2 3.5Å; H448-E451 IonicContact ND1-OE2 3.19Å; H448-E451 PolarHBondContact ND1-OE2 2.89Å; H448-E451 PolarHBondContact O-N 3.38Å; H448-E451 VanDerWaalsContact O-N 3.1Å
449L92.9Very high90.7Very high0 Ų039.1 Ų39.10%018%0.181CC..THydrogen-bonded Turntrans-52.5-40.2-178.9-179.762.4000113.5L445 L446 E451 E453 V456 F457 S517 K520 L524L445-L449 PolarHBondContact O-N 3.17Å; L446-L449 WeakPolarHBondContact O-CB 3.45Å; L446-L449 PolarHBondContact O-N 3.04Å; L449-E451 VanDerWaalsContact C-N 3.31Å; L449-E451 PolarHBondContact O-N 3.24Å; L449-E453 HydrophobicContact CD1-CG 4.26Å; L449-E453 WeakPolarHBondContact O-CA 3.4Å; L449-E453 PolarHBondContact O-N 3.27Å; L449-V456 HydrophobicContact CD1-CB 4.06Å; L449-V456 HydrophobicContact CD1-CG1 3.74Å; L449-F457 HydrophobicContact CD1-CD2 4.1Å; L449-F457 HydrophobicContact CD1-CE2 3.92Å; L449-S517 PolarHBondContact N-OG 3.21Å; L449-S517 VanDerWaalsContact N-OG 3.08Å; L449-K520 HydrophobicContact CD2-CB 3.69Å; L449-K520 HydrophobicContact CG-CB 4.12Å; L449-L524 HydrophobicContact CD2-CD1 3.79Å
450A90.7Very high90.8Very high38 Ų3833.4 Ų33.431%0.31416%0.158SC..THydrogen-bonded Turntrans-73.1-18.4-177.400000114.5H448 S516 S517 K520H448-A450 VanDerWaalsContact C-N 3.26Å; H448-A450 PolarHBondContact O-N 3.13Å; A450-S516 VanDerWaalsContact CB-C 3.46Å; A450-S516 VanDerWaalsContact CB-CB 3.45Å; A450-S517 PolarHBondContact N-OG 3.5Å; A450-K520 HydrophobicContact CB-CG 4.43Å
451E88.8Confident90.9Very high76 Ų7634.1 Ų34.136%0.35516%0.158SC..THydrogen-bonded Turntrans-72.3-44.4177.2-73.3-171.7119.100111.1M396 H448 L449 R509 I513M396-E451 HydrophobicContact SD-CB 4.08Å; H448-E451 IonicContact CE1-OE2 3.62Å; H448-E451 IonicContact CG-OE2 3.5Å; H448-E451 IonicContact ND1-OE2 3.19Å; H448-E451 PolarHBondContact ND1-OE2 2.89Å; H448-E451 PolarHBondContact O-N 3.38Å; H448-E451 VanDerWaalsContact O-N 3.1Å; L449-E451 VanDerWaalsContact C-N 3.31Å; L449-E451 PolarHBondContact O-N 3.24Å; E451-R509 IonicContact OE1-NH2 3.99Å; E451-I513 VanDerWaalsContact CD-CD1 3.46Å; E451-I513 HydrophobicContact CG-CD1 4.05Å; E451-I513 HydrophobicContact CG-CG1 3.93Å; E451-I513 HydrophobicContact CG-CG2 3.8Å; E451-I513 WeakPolarHBondContact OE1-CD1 3.43Å
452R87.9Confident90.7Very high75 Ų7536.5 Ų36.528%0.28317%0.167SC..  trans-149.675.3-176.4-64.2-171.6176.3-161.1-11.7111.8M396 S397 N398 E454 R455 V456M396-R452 PolarHBondContact O-NH1 3.36Å; M396-R452 HydrophobicContact SD-CB 4.26Å; M396-R452 HydrophobicContact SD-CG 4.19Å; S397-R452 VanDerWaalsContact C-NH1 3.26Å; S397-R452 PolarHBondContact O-NH1 3.34Å; N398-R452 VanDerWaalsContact OD1-CZ 3.24Å; N398-R452 PolarHBondContact OD1-NH1 2.85Å; N398-R452 PolarHBondContact OD1-NH2 3.03Å; R452-E454 PolarHBondContact O-N 3.21Å; R452-R455 HydrophobicContact CB-CB 4.13Å; R452-R455 PolarHBondContact O-N 3.22Å; R452-V456 WeakPolarHBondContact O-CG2 3.44Å; R452-V456 PolarHBondContact O-N 2.91Å
453E88.3Confident90.5Very high69 Ų6936.5 Ų36.532%0.32217%0.167SC..Hα-helixtrans-50.7-54.8-175.6-171.9170.1172.600112.4L449 R455 V456 F457 K520L449-E453 HydrophobicContact CD1-CG 4.26Å; L449-E453 WeakPolarHBondContact O-CA 3.4Å; L449-E453 PolarHBondContact O-N 3.27Å; E453-R455 PolarHBondContact O-N 3.21Å; E453-V456 PolarHBondContact O-N 3.24Å; E453-F457 HydrophobicContact CG-CD2 4.17Å; E453-F457 HydrophobicContact CG-CE2 4.17Å; E453-F457 WeakPolarHBondContact O-CD2 3.42Å; E453-F457 PolarHBondContact O-N 2.95Å; E453-K520 WeakPolarHBondContact OE2-CE 3.35Å; E453-K520 IonicContact OE2-NZ 2.68Å; E453-K520 PolarHBondContact OE2-NZ 3.41Å
454E88.1Confident90.2Very high158 Ų15835.4 Ų35.474%0.73816%0.163SC*.Hα-helixtrans-59-44.1-178.3-64.4179.9177.400113.2R452 F457 Q458R452-E454 PolarHBondContact O-N 3.21Å; E454-F457 PolarHBondContact O-N 3.35Å; E454-Q458 VanDerWaalsContact O-CG 3.27Å; E454-Q458 WeakPolarHBondContact O-CG 3.3Å; E454-Q458 PolarHBondContact O-N 3.11Å
455R89.7Confident89.8Confident70 Ų7036.2 Ų36.226%0.26417%0.17SC..Hα-helixtrans-69.3-37.5179.8-78.8-161.3162.7120.9-12112.1T395 S397 N398 L399 R452 E453 F457 Q458 M459T395-R455 HydrophobicContact CG2-CB 4.03Å; T395-R455 WeakPolarHBondContact O-CD 3.4Å; S397-R455 VanDerWaalsContact O-CZ 3.22Å; S397-R455 PolarHBondContact O-NH1 3.03Å; N398-R455 PolarHBondContact OD1-NH1 3.4Å; L399-R455 PolarHBondContact O-NH2 3.37Å; R452-R455 HydrophobicContact CB-CB 4.13Å; R452-R455 PolarHBondContact O-N 3.22Å; E453-R455 PolarHBondContact O-N 3.21Å; R455-F457 VanDerWaalsContact C-N 3.34Å; R455-Q458 PolarHBondContact O-N 3.13Å; R455-M459 WeakPolarHBondContact O-CB 3.39Å; R455-M459 PolarHBondContact O-N 3.49Å
456V90.7Very high89.2Confident0 Ų038.7 Ų38.70%018%0.183CC..Hα-helixtrans-63.4-43.4175.2170.50000110.2T395 M396 L445 L449 R452 E453 M459 L460T395-V456 HydrophobicContact CG2-CG2 4Å; M396-V456 HydrophobicContact CE-CG2 3.72Å; L445-V456 HydrophobicContact CB-CG1 4.23Å; L449-V456 HydrophobicContact CD1-CB 4.06Å; L449-V456 HydrophobicContact CD1-CG1 3.74Å; R452-V456 WeakPolarHBondContact O-CG2 3.44Å; R452-V456 PolarHBondContact O-N 2.91Å; E453-V456 PolarHBondContact O-N 3.24Å; V456-M459 PolarHBondContact O-N 2.95Å; V456-L460 HydrophobicContact CG1-CD1 4.04Å; V456-L460 HydrophobicContact CG1-CG 4.46Å; V456-L460 VanDerWaalsContact O-CG 3.3Å; V456-L460 WeakPolarHBondContact O-CG 3.34Å; V456-L460 PolarHBondContact O-N 2.92Å
457F90Very high88.2Confident16 Ų1643 Ų437%0.0720%0.202CC..Hα-helixtrans-62.5-45.2174.4-92.6-97.7000112.6L449 E453 E454 R455 M459 L460 K461 D480 V483 L524L449-F457 HydrophobicContact CD1-CD2 4.1Å; L449-F457 HydrophobicContact CD1-CE2 3.92Å; E453-F457 HydrophobicContact CG-CD2 4.17Å; E453-F457 HydrophobicContact CG-CE2 4.17Å; E453-F457 WeakPolarHBondContact O-CD2 3.42Å; E453-F457 PolarHBondContact O-N 2.95Å; E454-F457 PolarHBondContact O-N 3.35Å; R455-F457 VanDerWaalsContact C-N 3.34Å; F457-M459 VanDerWaalsContact C-N 3.31Å; F457-M459 PolarHBondContact O-N 3.02Å; F457-L460 PolarHBondContact O-N 3.45Å; F457-K461 WeakPolarHBondContact O-CG 3.42Å; F457-K461 PolarHBondContact O-N 3.15Å; F457-D480 HydrophobicContact CD1-CB 4.36Å; F457-D480 HydrophobicContact CE1-CB 4.06Å; F457-V483 HydrophobicContact CD1-CB 4.18Å; F457-V483 HydrophobicContact CD1-CG1 4.1Å; F457-V483 HydrophobicContact CD1-CG2 4.09Å; F457-V483 HydrophobicContact CE1-CB 4.06Å; F457-V483 HydrophobicContact CE1-CG1 3.95Å; F457-V483 HydrophobicContact CE1-CG2 4.46Å; F457-L524 HydrophobicContact CE2-CD1 3.85Å; F457-L524 HydrophobicContact CE2-CD2 4.37Å; F457-L524 HydrophobicContact CZ-CD1 3.6Å; F457-L524 HydrophobicContact CZ-CD2 3.71Å; F457-L524 HydrophobicContact CZ-CG 4.31Å
458Q88.5Confident87.1Confident96 Ų9646.6 Ų46.645%0.44922%0.224SC..Hα-helixtrans-57.9-44.1174.8-73.3169.25.400111.5E454 R455 K461 Y462E454-Q458 VanDerWaalsContact O-CG 3.27Å; E454-Q458 WeakPolarHBondContact O-CG 3.3Å; E454-Q458 PolarHBondContact O-N 3.11Å; R455-Q458 PolarHBondContact O-N 3.13Å; Q458-K461 PolarHBondContact O-N 3.37Å; Q458-Y462 PolarHBondContact O-N 3.49Å
459M90.4Very high85.6Confident3 Ų348.7 Ų48.72%0.01525%0.252CS..Hα-helixtrans-66.3-39.1177.3-170.958.469.400112.2L391 V394 T395 M404 F408 L445 R455 V456 F457 Y462 I463L391-M459 HydrophobicContact CD1-CE 4.19Å; L391-M459 HydrophobicContact CD1-CG 3.92Å; L391-M459 HydrophobicContact CD1-SD 3.43Å; L391-M459 WeakPolarHBondContact CD1-SD 3.16Å; L391-M459 HydrophobicContact CG-CG 4.17Å; L391-M459 HydrophobicContact CG-SD 4.31Å; V394-M459 HydrophobicContact CG1-CE 4.11Å; T395-M459 HydrophobicContact CG2-CB 4.11Å; T395-M459 WeakPolarHBondContact OG1-CE 3.4Å; T395-M459 WeakPolarHBondContact OG1-CG 3.43Å; M404-M459 HydrophobicContact CE-CE 3.75Å; M404-M459 HydrophobicContact SD-CE 3.63Å; F408-M459 HydrophobicContact CE2-CE 4.38Å; F408-M459 HydrophobicContact CZ-CE 3.9Å; F408-M459 HydrophobicContact CZ-SD 4.14Å; L445-M459 HydrophobicContact CD1-CB 4.29Å; L445-M459 HydrophobicContact CD1-CG 3.74Å; L445-M459 HydrophobicContact CD2-CG 4.32Å; R455-M459 WeakPolarHBondContact O-CB 3.39Å; R455-M459 PolarHBondContact O-N 3.49Å; V456-M459 PolarHBondContact O-N 2.95Å; F457-M459 VanDerWaalsContact C-N 3.31Å; F457-M459 PolarHBondContact O-N 3.02Å; M459-Y462 WeakPolarHBondContact O-CB 3.18Å; M459-Y462 PolarHBondContact O-N 3.24Å; M459-Y462 HydrophobicContact SD-CD1 3.92Å; M459-Y462 HydrophobicContact SD-CG 4.48Å; M459-I463 HydrophobicContact CG-CD1 4.45Å; M459-I463 VanDerWaalsContact O-CG1 3.29Å; M459-I463 WeakPolarHBondContact O-CG1 3.39Å; M459-I463 PolarHBondContact O-N 3.39Å
460L91Very high83.7Confident0 Ų050.2 Ų50.20%026%0.263CS..Hα-helixtrans-63.9-40.4174.8-71.9169.9000111.6I442 L445 L446 V456 F457 Y462 I463 I464 V483 I487I442-L460 HydrophobicContact CG2-CD2 4.32Å; L445-L460 HydrophobicContact CD1-CD2 4.14Å; L446-L460 HydrophobicContact CD2-CD1 3.99Å; V456-L460 HydrophobicContact CG1-CD1 4.04Å; V456-L460 HydrophobicContact CG1-CG 4.46Å; V456-L460 VanDerWaalsContact O-CG 3.3Å; V456-L460 WeakPolarHBondContact O-CG 3.34Å; V456-L460 PolarHBondContact O-N 2.92Å; F457-L460 PolarHBondContact O-N 3.45Å; L460-Y462 VanDerWaalsContact C-N 3.34Å; L460-I463 HydrophobicContact CD2-CD1 4.38Å; L460-I463 PolarHBondContact O-N 3.47Å; L460-I464 VanDerWaalsContact O-CG1 3.25Å; L460-I464 WeakPolarHBondContact O-CG1 3.14Å; L460-I464 PolarHBondContact O-N 3.45Å; L460-V483 HydrophobicContact CB-CG1 4.01Å; L460-V483 HydrophobicContact CB-CG2 4.47Å; L460-V483 HydrophobicContact CD1-CG1 3.74Å; L460-V483 HydrophobicContact CG-CG1 4.5Å; L460-I487 HydrophobicContact CD1-CD1 4.37Å
461K89.4Confident81.6Confident46 Ų4654.5 Ų54.520%0.228%0.28CS..Hα-helixtrans-60.6-43.9172.8-68.8174.5-171.5-175.50111.2F457 Q458 I463 I464 S465 D478 D480 V483F457-K461 WeakPolarHBondContact O-CG 3.42Å; F457-K461 PolarHBondContact O-N 3.15Å; Q458-K461 PolarHBondContact O-N 3.37Å; K461-I463 VanDerWaalsContact C-N 3.33Å; K461-I463 PolarHBondContact O-N 2.93Å; K461-I464 PolarHBondContact O-N 3Å; K461-S465 PolarHBondContact O-N 3.34Å; K461-S465 PolarHBondContact O-OG 3.5Å; K461-D478 VanDerWaalsContact CE-O 3.23Å; K461-D478 WeakPolarHBondContact CE-O 3.37Å; K461-D478 PolarHBondContact NZ-O 3.27Å; K461-D480 VanDerWaalsContact CE-OD1 3.25Å; K461-D480 WeakPolarHBondContact CE-OD1 2.63Å; K461-D480 IonicContact NZ-OD1 3.45Å; K461-D480 PolarHBondContact NZ-OD1 3.18Å; K461-V483 HydrophobicContact CG-CG2 3.75Å
462Y87Confident79.7Confident50 Ų5058.7 Ų58.720%0.19630%0.3CS..Hα-helixtrans-61-37.8174.4178.8-95.5000113F408 I430 Q458 M459 L460 S465 N466F408-Y462 HydrophobicContact CD2-CE1 4.01Å; F408-Y462 AromaticContact CD2-CZ 3.79Å; F408-Y462 WeakPolarHBondContact CD2-OH 3.18Å; F408-Y462 HydrophobicContact CE2-CD1 4.2Å; F408-Y462 AromaticContact CE2-CE1 3.51Å; F408-Y462 HydrophobicContact CE2-CE1 3.51Å; F408-Y462 AromaticContact CE2-CZ 3.71Å; F408-Y462 HydrophobicContact CZ-CE1 4.19Å; I430-Y462 HydrophobicContact CG2-CE1 4.05Å; Q458-Y462 PolarHBondContact O-N 3.49Å; M459-Y462 WeakPolarHBondContact O-CB 3.18Å; M459-Y462 PolarHBondContact O-N 3.24Å; M459-Y462 HydrophobicContact SD-CD1 3.92Å; M459-Y462 HydrophobicContact SD-CG 4.48Å; L460-Y462 VanDerWaalsContact C-N 3.34Å; Y462-S465 PolarHBondContact O-OG 3.36Å; Y462-N466 WeakPolarHBondContact CD1-ND2 3.48Å; Y462-N466 WeakPolarHBondContact CE1-ND2 3.24Å; Y462-N466 VanDerWaalsContact CE2-ND2 3.26Å; Y462-N466 WeakPolarHBondContact CE2-ND2 3.49Å; Y462-N466 WeakPolarHBondContact O-CB 3.46Å; Y462-N466 PolarHBondContact O-N 3.4Å; Y462-N466 PolarHBondContact O-ND2 2.92Å
463I87.6Confident77.6Confident0 Ų059.8 Ų59.80%032%0.319CS..Hα-helixtrans-66.9-44.2174.3-67.4166.6000110.6L391 L434 L438 L445 M459 L460 K461 S465 N466 F467L391-I463 HydrophobicContact CD2-CD1 3.89Å; L434-I463 HydrophobicContact CD1-CG1 4.24Å; L434-I463 HydrophobicContact CD1-CG2 4.43Å; L434-I463 HydrophobicContact CD2-CD1 4.34Å; L434-I463 HydrophobicContact CD2-CG1 3.91Å; L434-I463 HydrophobicContact CD2-CG2 4.37Å; L438-I463 HydrophobicContact CD1-CG2 3.55Å; L445-I463 HydrophobicContact CD1-CD1 3.59Å; M459-I463 HydrophobicContact CG-CD1 4.45Å; M459-I463 VanDerWaalsContact O-CG1 3.29Å; M459-I463 WeakPolarHBondContact O-CG1 3.39Å; M459-I463 PolarHBondContact O-N 3.39Å; L460-I463 HydrophobicContact CD2-CD1 4.38Å; L460-I463 PolarHBondContact O-N 3.47Å; K461-I463 VanDerWaalsContact C-N 3.33Å; K461-I463 PolarHBondContact O-N 2.93Å; I463-S465 PolarHBondContact O-N 3.13Å; I463-N466 PolarHBondContact O-N 3.42Å; I463-F467 WeakPolarHBondContact O-CB 3.4Å; I463-F467 PolarHBondContact O-N 3.14Å
464I86Confident75.5Confident12 Ų1258.3 Ų58.36%0.06232%0.317CS..Hα-helixtrans-60.8-46.6-179.6-69163.9000110.3L460 K461 N466 F467 T468 V483 F486L460-I464 VanDerWaalsContact O-CG1 3.25Å; L460-I464 WeakPolarHBondContact O-CG1 3.14Å; L460-I464 PolarHBondContact O-N 3.45Å; K461-I464 PolarHBondContact O-N 3Å; I464-N466 PolarHBondContact O-N 3.48Å; I464-F467 PolarHBondContact O-N 2.83Å; I464-T468 HydrophobicContact CG2-CG2 4.25Å; I464-T468 WeakPolarHBondContact O-CB 3.24Å; I464-T468 PolarHBondContact O-N 3Å; I464-T468 PolarHBondContact O-OG1 3.13Å; I464-V483 HydrophobicContact CD1-CG2 4.09Å; I464-F486 HydrophobicContact CD1-CB 3.75Å; I464-F486 HydrophobicContact CD1-CD1 3.95Å; I464-F486 HydrophobicContact CD1-CD2 4.43Å; I464-F486 HydrophobicContact CD1-CG 3.81Å; I464-F486 HydrophobicContact CG1-CB 4.17Å; I464-F486 HydrophobicContact CG1-CD1 3.74Å; I464-F486 HydrophobicContact CG1-CD2 3.9Å; I464-F486 HydrophobicContact CG1-CE1 4Å; I464-F486 HydrophobicContact CG1-CE2 4.17Å; I464-F486 HydrophobicContact CG1-CG 3.68Å; I464-F486 HydrophobicContact CG1-CZ 4.21Å
465S83.9Confident73.7Confident25 Ų2556.3 Ų56.318%0.17532%0.317CS..Hα-helixtrans-61.9-44.2178.562.90000112K461 Y462 I463 G469K461-S465 PolarHBondContact O-N 3.34Å; K461-S465 PolarHBondContact O-OG 3.5Å; Y462-S465 PolarHBondContact O-OG 3.36Å; I463-S465 PolarHBondContact O-N 3.13Å; S465-G469 PolarHBondContact O-N 3.34Å
466N80.7Confident71.8Confident51 Ų5161.2 Ų61.227%0.27334%0.34SS..Hα-helixtrans-73.3-25.8-179.3-78.7-56.6000114.4S431 L434 Y462 I463 I464S431-N466 PolarHBondContact OG-O 3.16Å; L434-N466 HydrophobicContact CD1-CB 4.17Å; Y462-N466 WeakPolarHBondContact CD1-ND2 3.48Å; Y462-N466 WeakPolarHBondContact CE1-ND2 3.24Å; Y462-N466 VanDerWaalsContact CE2-ND2 3.26Å; Y462-N466 WeakPolarHBondContact CE2-ND2 3.49Å; Y462-N466 WeakPolarHBondContact O-CB 3.46Å; Y462-N466 PolarHBondContact O-N 3.4Å; Y462-N466 PolarHBondContact O-ND2 2.92Å; I463-N466 PolarHBondContact O-N 3.42Å; I464-N466 PolarHBondContact O-N 3.48Å
467F73Confident69.9Low92 Ų9261.6 Ų61.640%0.40434%0.343SS..Hα-helixtrans-95.4-37.9-176-170.4-94.9000113.4L438 I463 I464L438-F467 HydrophobicContact CD1-CD2 4.27Å; L438-F467 HydrophobicContact CD1-CG 4.47Å; L438-F467 HydrophobicContact CD2-CD1 3.91Å; L438-F467 HydrophobicContact CD2-CD2 3.92Å; L438-F467 HydrophobicContact CD2-CE1 3.68Å; L438-F467 HydrophobicContact CD2-CE2 3.69Å; L438-F467 HydrophobicContact CD2-CG 4.02Å; L438-F467 HydrophobicContact CD2-CZ 3.57Å; I463-F467 WeakPolarHBondContact O-CB 3.4Å; I463-F467 PolarHBondContact O-N 3.14Å; I464-F467 PolarHBondContact O-N 2.83Å
468T70.7Confident68.4Low78 Ų7865.8 Ų65.848%0.47937%0.366SS..Hα-helixtrans-85.8-11.8-178.961.90000113.4I464 S470I464-T468 HydrophobicContact CG2-CG2 4.25Å; I464-T468 WeakPolarHBondContact O-CB 3.24Å; I464-T468 PolarHBondContact O-N 3Å; I464-T468 PolarHBondContact O-OG1 3.13Å; T468-S470 PolarHBondContact O-N 3.22Å; T468-S470 PolarHBondContact OG1-OG 2.81Å; T468-S470 VanDerWaalsContact OG1-OG 3.11Å
469G62.5Low67.6Low67 Ų6762.9 Ų62.969%0.69136%0.357SS*.  trans67.411.4-177.100000113.5S465 D471S465-G469 PolarHBondContact O-N 3.34Å; G469-D471 PolarHBondContact O-N 3.38Å
470S53.4Low66.8Low33 Ų3366.9 Ų66.923%0.23138%0.378CS..  trans-68.5123.4172.360.10000109T468T468-S470 PolarHBondContact O-N 3.22Å; T468-S470 PolarHBondContact OG1-OG 2.81Å; T468-S470 VanDerWaalsContact OG1-OG 3.11Å
471D46.5Very low66.3Low127 Ų12770.2 Ų70.268%0.67940%0.401SS*.  trans-47.2144.2167.2-77.3-32000109.9G469 S473 S474G469-D471 PolarHBondContact O-N 3.38Å; D471-S473 WeakPolarHBondContact CB-OG 3.48Å; D471-S473 PolarHBondContact O-N 3.38Å; D471-S474 PolarHBondContact O-N 3.5Å
472Q48.3Very low65.9Low164 Ų16468.7 Ų68.777%0.76640%0.399SS*.THydrogen-bonded Turntrans-53.9-6.8175.7-66.4-179.5-1.800113.5
473S43.2Very low65.7Low98 Ų9866.3 Ų66.369%0.68539%0.39SS*.THydrogen-bonded Turntrans-94.5-0179.459.40000115D471 P475D471-S473 WeakPolarHBondContact CB-OG 3.48Å; D471-S473 PolarHBondContact O-N 3.38Å; S473-P475 WeakPolarHBondContact O-CD 3.2Å
474S45.8Very low65.6Low39 Ų3968.6 Ų68.627%0.27340%0.401SS..  trans-77.3118.3175.994.40000110.7D471 K476 S477D471-S474 PolarHBondContact O-N 3.5Å; S474-K476 PolarHBondContact O-N 2.89Å; S474-S477 PolarHBondContact O-N 3.28Å; S474-S477 VanDerWaalsContact O-N 3.13Å; S474-S477 PolarHBondContact O-OG 3.43Å; S474-S477 PolarHBondContact OG-OG 3.47Å
475P49.3Very low65.4Low115 Ų11573.5 Ų73.575%0.74743%0.428SS*.THydrogen-bonded Turntrans-65.2-11.8-174.421.4-31000114.2S473S473-P475 WeakPolarHBondContact O-CD 3.2Å
476K49.1Very low65.5Low173 Ų17373.2 Ų73.275%0.75242%0.423SS*.THydrogen-bonded Turntrans-80.9-29.6176.4-70.2-174.2177.9-178.20113.1S474 S479 G482S474-K476 PolarHBondContact O-N 2.89Å; K476-S479 PolarHBondContact O-OG 2.71Å; K476-G482 WeakPolarHBondContact O-CA 3.46Å
477S51.3Low65.8Low9 Ų971.1 Ų71.16%0.06341%0.412CS..THydrogen-bonded Turntrans-76.9-27.3-178.250.30000113.9S474S474-S477 PolarHBondContact O-N 3.28Å; S474-S477 VanDerWaalsContact O-N 3.13Å; S474-S477 PolarHBondContact O-OG 3.43Å; S474-S477 PolarHBondContact OG-OG 3.47Å
478D57.9Low66.3Low104 Ų10470 Ų7056%0.55641%0.407SS*.SBendtrans-85.3-16179.9-84.7-14.3000114.3K461K461-D478 VanDerWaalsContact CE-O 3.23Å; K461-D478 WeakPolarHBondContact CE-O 3.37Å; K461-D478 PolarHBondContact NZ-O 3.27Å
479S72.4Confident66.9Low35 Ų3571 Ų7125%0.24541%0.414CS..SBendtrans-79143.8-179.271.40000112.1K476 S481 G482K476-S479 PolarHBondContact O-OG 2.71Å; S479-S481 VanDerWaalsContact CB-OG 3.23Å; S479-S481 WeakPolarHBondContact CB-OG 3.24Å; S479-S481 PolarHBondContact O-N 2.91Å; S479-S481 PolarHBondContact OG-OG 3.06Å; S479-G482 PolarHBondContact O-N 2.89Å; S479-G482 PolarHBondContact OG-N 2.89Å; S479-G482 VanDerWaalsContact OG-N 3.09Å
480D74.5Confident68.1Low87 Ų8769.7 Ų69.747%0.46539%0.389SS..Hα-helixtrans-61.5-26.9171.7-64-16.4000111.5F457 K461 G482 V483 I484F457-D480 HydrophobicContact CD1-CB 4.36Å; F457-D480 HydrophobicContact CE1-CB 4.06Å; K461-D480 VanDerWaalsContact CE-OD1 3.25Å; K461-D480 WeakPolarHBondContact CE-OD1 2.63Å; K461-D480 IonicContact NZ-OD1 3.45Å; K461-D480 PolarHBondContact NZ-OD1 3.18Å; D480-G482 VanDerWaalsContact C-N 3.32Å; D480-G482 PolarHBondContact O-N 3.33Å; D480-V483 WeakPolarHBondContact O-CB 3.25Å; D480-V483 PolarHBondContact O-N 2.79Å; D480-I484 WeakPolarHBondContact O-CG1 3.4Å; D480-I484 PolarHBondContact O-N 3.43Å; D480-I484 VanDerWaalsContact O-N 3.12Å
481S79.2Confident69.8Low69 Ų6968.5 Ų68.548%0.48338%0.38SS..Hα-helixtrans-60.6-37.8170.241.70000113.2S479 V483 I484 D485S479-S481 VanDerWaalsContact CB-OG 3.23Å; S479-S481 WeakPolarHBondContact CB-OG 3.24Å; S479-S481 PolarHBondContact O-N 2.91Å; S479-S481 PolarHBondContact OG-OG 3.06Å; S481-V483 VanDerWaalsContact C-N 3.29Å; S481-V483 PolarHBondContact O-N 3.38Å; S481-I484 PolarHBondContact O-N 3.01Å; S481-D485 PolarHBondContact O-N 3.06Å
482G80.8Confident71.8Confident15 Ų1564.6 Ų64.616%0.15536%0.358CS..Hα-helixtrans-64.7-34.8176.700000112.4K476 S479 D480 F486K476-G482 WeakPolarHBondContact O-CA 3.46Å; S479-G482 PolarHBondContact O-N 2.89Å; S479-G482 PolarHBondContact OG-N 2.89Å; S479-G482 VanDerWaalsContact OG-N 3.09Å; D480-G482 VanDerWaalsContact C-N 3.32Å; D480-G482 PolarHBondContact O-N 3.33Å; G482-F486 VanDerWaalsContact O-CB 3.32Å; G482-F486 WeakPolarHBondContact O-CB 3.34Å; G482-F486 PolarHBondContact O-N 2.91Å
483V84.3Confident73.7Confident0 Ų057.6 Ų57.60%033%0.331CS..Hα-helixtrans-66.8-42.6173.7-179.80000110.7F457 L460 K461 I464 D480 S481 F486 I487F457-V483 HydrophobicContact CD1-CB 4.18Å; F457-V483 HydrophobicContact CD1-CG1 4.1Å; F457-V483 HydrophobicContact CD1-CG2 4.09Å; F457-V483 HydrophobicContact CE1-CB 4.06Å; F457-V483 HydrophobicContact CE1-CG1 3.95Å; F457-V483 HydrophobicContact CE1-CG2 4.46Å; L460-V483 HydrophobicContact CB-CG1 4.01Å; L460-V483 HydrophobicContact CB-CG2 4.47Å; L460-V483 HydrophobicContact CD1-CG1 3.74Å; L460-V483 HydrophobicContact CG-CG1 4.5Å; K461-V483 HydrophobicContact CG-CG2 3.75Å; I464-V483 HydrophobicContact CD1-CG2 4.09Å; D480-V483 WeakPolarHBondContact O-CB 3.25Å; D480-V483 PolarHBondContact O-N 2.79Å; S481-V483 VanDerWaalsContact C-N 3.29Å; S481-V483 PolarHBondContact O-N 3.38Å; V483-F486 CarbonylContact O-C 3.51Å; V483-F486 WeakPolarHBondContact O-CB 3.12Å; V483-F486 PolarHBondContact O-N 3.47Å; V483-I487 HydrophobicContact CG1-CD1 3.76Å; V483-I487 HydrophobicContact CG1-CG1 4.38Å; V483-I487 VanDerWaalsContact O-CG1 3.28Å; V483-I487 WeakPolarHBondContact O-CG1 3.18Å; V483-I487 PolarHBondContact O-N 2.75Å
484I83.8Confident76Confident48 Ų4853 Ų5325%0.24630%0.298CS..Hα-helixtrans-63.1-46.5177.6-65.1168.6000111.1D480 S481 F486 I487 K488D480-I484 WeakPolarHBondContact O-CG1 3.4Å; D480-I484 PolarHBondContact O-N 3.43Å; D480-I484 VanDerWaalsContact O-N 3.12Å; S481-I484 PolarHBondContact O-N 3.01Å; I484-F486 PolarHBondContact O-N 3.47Å; I484-I487 PolarHBondContact O-N 2.87Å; I484-I487 VanDerWaalsContact O-N 3.08Å; I484-K488 PolarHBondContact O-N 3.27Å
485D83.4Confident78.3Confident115 Ų11551.1 Ų51.162%0.61529%0.285SS*.Hα-helixtrans-61.4-33.6176-75.2-23.9000111.9S481 P489S481-D485 PolarHBondContact O-N 3.06Å; D485-P489 WeakPolarHBondContact O-CD 3.37Å
486F85.9Confident80.3Confident18 Ų1848.1 Ų48.18%0.07926%0.263CS..Hα-helixtrans-72.2-34.4174-172.4-105.3000112.7L438 I442 I464 G482 V483 I484 R490L438-F486 HydrophobicContact CD2-CZ 4.35Å; I442-F486 HydrophobicContact CD1-CD1 4.4Å; I442-F486 HydrophobicContact CD1-CE1 3.41Å; I442-F486 VanDerWaalsContact CD1-CE1 3.41Å; I442-F486 HydrophobicContact CD1-CZ 3.86Å; I442-F486 HydrophobicContact CG1-CE1 4.09Å; I464-F486 HydrophobicContact CD1-CB 3.75Å; I464-F486 HydrophobicContact CD1-CD1 3.95Å; I464-F486 HydrophobicContact CD1-CD2 4.43Å; I464-F486 HydrophobicContact CD1-CG 3.81Å; I464-F486 HydrophobicContact CG1-CB 4.17Å; I464-F486 HydrophobicContact CG1-CD1 3.74Å; I464-F486 HydrophobicContact CG1-CD2 3.9Å; I464-F486 HydrophobicContact CG1-CE1 4Å; I464-F486 HydrophobicContact CG1-CE2 4.17Å; I464-F486 HydrophobicContact CG1-CG 3.68Å; I464-F486 HydrophobicContact CG1-CZ 4.21Å; G482-F486 VanDerWaalsContact O-CB 3.32Å; G482-F486 WeakPolarHBondContact O-CB 3.34Å; G482-F486 PolarHBondContact O-N 2.91Å; V483-F486 CarbonylContact O-C 3.51Å; V483-F486 WeakPolarHBondContact O-CB 3.12Å; V483-F486 PolarHBondContact O-N 3.47Å; I484-F486 PolarHBondContact O-N 3.47Å; F486-R490 PolarHBondContact O-NH1 2.69Å
487I86.2Confident82.3Confident7 Ų742.1 Ų42.14%0.03624%0.236CC..Hα-helixtrans-76.8-38.2178.1-67.8167.2000111.5L446 L460 V483 I484 R490 I491 L521L446-I487 HydrophobicContact CD1-CD1 4.19Å; L446-I487 HydrophobicContact CD1-CG1 4.25Å; L446-I487 HydrophobicContact CD1-CG2 4.3Å; L446-I487 HydrophobicContact CD2-CD1 3.92Å; L460-I487 HydrophobicContact CD1-CD1 4.37Å; V483-I487 HydrophobicContact CG1-CD1 3.76Å; V483-I487 HydrophobicContact CG1-CG1 4.38Å; V483-I487 VanDerWaalsContact O-CG1 3.28Å; V483-I487 WeakPolarHBondContact O-CG1 3.18Å; V483-I487 PolarHBondContact O-N 2.75Å; I484-I487 PolarHBondContact O-N 2.87Å; I484-I487 VanDerWaalsContact O-N 3.08Å; I487-R490 CarbonylContact O-C 3.54Å; I487-R490 WeakPolarHBondContact O-CA 3.44Å; I487-R490 PolarHBondContact O-N 3.35Å; I487-I491 HydrophobicContact CG2-CD1 4.12Å; I487-I491 PolarHBondContact O-N 3.33Å; I487-I491 VanDerWaalsContact O-N 3.11Å; I487-L521 HydrophobicContact CG2-CD1 4.39Å
488K83.7Confident84.3Confident70 Ų7041.7 Ų41.730%0.30423%0.233SC..G310 helixtrans-44.6-54-173.4-178177.4-176.8175.70114.4I484 R490 I491 V529 E532I484-K488 PolarHBondContact O-N 3.27Å; K488-R490 PolarHBondContact O-N 3.36Å; K488-R490 VanDerWaalsContact O-N 3.15Å; K488-I491 WeakPolarHBondContact O-CG2 3.44Å; K488-I491 PolarHBondContact O-N 3.21Å; K488-V529 HydrophobicContact CD-CG1 4.46Å; K488-V529 HydrophobicContact CD-CG2 3.83Å; K488-V529 HydrophobicContact CG-CG1 4.08Å; K488-V529 HydrophobicContact CG-CG2 4.32Å; K488-E532 WeakPolarHBondContact CE-OE2 3.48Å; K488-E532 IonicContact NZ-OE1 3.15Å; K488-E532 PolarHBondContact NZ-OE1 3.22Å; K488-E532 IonicContact NZ-OE2 3.33Å; K488-E532 PolarHBondContact NZ-OE2 2.86Å; K488-E532 VanDerWaalsContact NZ-OE2 3.1Å
489P83.5Confident85.9Confident97 Ų9736.8 Ų36.863%0.6321%0.207SC*.G310 helixtrans-70.1-10.2-178.827.1-34.1000114.2D485D485-P489 WeakPolarHBondContact O-CD 3.37Å
490R87.4Confident86.8Confident41 Ų4136.6 Ų36.616%0.15520%0.202CC..G310 helixtrans-110.8-4.2-173.7-53.8-178.5172.179.3-1.2113Y439 Y443 F486 I487 K488 L492 G493 V494Y439-R490 HydrophobicContact CD1-CG 4.36Å; Y439-R490 HydrophobicContact CE1-CG 3.91Å; Y443-R490 HydrophobicContact CE1-CB 4.46Å; F486-R490 PolarHBondContact O-NH1 2.69Å; I487-R490 CarbonylContact O-C 3.54Å; I487-R490 WeakPolarHBondContact O-CA 3.44Å; I487-R490 PolarHBondContact O-N 3.35Å; K488-R490 PolarHBondContact O-N 3.36Å; K488-R490 VanDerWaalsContact O-N 3.15Å; R490-L492 VanDerWaalsContact C-N 3.33Å; R490-L492 PolarHBondContact O-N 2.8Å; R490-G493 PolarHBondContact O-N 3.43Å; R490-V494 PolarHBondContact O-N 3.22Å; R490-V494 VanDerWaalsContact O-N 3.14Å
491I89.1Confident87.5Confident8 Ų834.6 Ų34.64%0.04119%0.188CC..Hα-helixtrans-56.8-39.5-171-168.663.2000113.7I487 K488 G493 V494 L495 L521 V533I487-I491 HydrophobicContact CG2-CD1 4.12Å; I487-I491 PolarHBondContact O-N 3.33Å; I487-I491 VanDerWaalsContact O-N 3.11Å; K488-I491 WeakPolarHBondContact O-CG2 3.44Å; K488-I491 PolarHBondContact O-N 3.21Å; I491-G493 VanDerWaalsContact C-N 3.3Å; I491-G493 PolarHBondContact O-N 3.22Å; I491-V494 WeakPolarHBondContact O-CB 3.23Å; I491-V494 PolarHBondContact O-N 3.14Å; I491-V494 VanDerWaalsContact O-N 3.15Å; I491-L495 HydrophobicContact CG1-CD1 4.35Å; I491-L495 WeakPolarHBondContact O-CG 3.14Å; I491-L495 PolarHBondContact O-N 3.35Å; I491-L521 HydrophobicContact CD1-CD1 4.08Å; I491-L521 HydrophobicContact CD1-CD2 3.9Å; I491-L521 HydrophobicContact CD1-CG 4.14Å; I491-V533 HydrophobicContact CG1-CG1 4.33Å; I491-V533 HydrophobicContact CG2-CG1 3.45Å; I491-V533 VanDerWaalsContact CG2-CG1 3.45Å
492L88.8Confident88.1Confident44 Ų4431.5 Ų31.523%0.2317%0.166CC..Hα-helixtrans-62.2-39.8178.2-62.8178.6000111.7R490 L495 I496 V533 K536 T828 Y830R490-L492 VanDerWaalsContact C-N 3.33Å; R490-L492 PolarHBondContact O-N 2.8Å; L492-L495 PolarHBondContact O-N 3.24Å; L492-I496 WeakPolarHBondContact O-CG1 3.24Å; L492-I496 PolarHBondContact O-N 2.66Å; L492-V533 HydrophobicContact CD2-CG1 4.42Å; L492-K536 HydrophobicContact CD2-CB 3.85Å; L492-K536 HydrophobicContact CD2-CG 3.8Å; L492-T828 HydrophobicContact CD1-CG2 3.52Å; L492-Y830 HydrophobicContact CD1-CE2 4.01Å
493G88.9Confident88.3Confident18 Ų1838 Ų3819%0.18619%0.186CC..Hα-helixtrans-67.4-35.9175.700000112.9R490 I491 K497R490-G493 PolarHBondContact O-N 3.43Å; I491-G493 VanDerWaalsContact C-N 3.3Å; I491-G493 PolarHBondContact O-N 3.22Å; G493-K497 PolarHBondContact O-N 3.07Å
494V91.6Very high88.2Confident1 Ų142.1 Ų42.11%0.00621%0.208CC..Hα-helixtrans-60.1-48.5171.71770000110.2Y443 L446 R490 I491 I496 K497 F498 L521Y443-V494 HydrophobicContact CD1-CB 4.24Å; Y443-V494 HydrophobicContact CD1-CG2 3.47Å; Y443-V494 VanDerWaalsContact CD1-CG2 3.47Å; Y443-V494 HydrophobicContact CE1-CB 4.45Å; Y443-V494 HydrophobicContact CE1-CG2 3.6Å; L446-V494 HydrophobicContact CB-CG1 4.26Å; L446-V494 HydrophobicContact CD1-CB 4.48Å; L446-V494 HydrophobicContact CD1-CG1 3.92Å; L446-V494 HydrophobicContact CD1-CG2 3.66Å; R490-V494 PolarHBondContact O-N 3.22Å; R490-V494 VanDerWaalsContact O-N 3.14Å; I491-V494 WeakPolarHBondContact O-CB 3.23Å; I491-V494 PolarHBondContact O-N 3.14Å; I491-V494 VanDerWaalsContact O-N 3.15Å; V494-I496 PolarHBondContact O-N 3.38Å; V494-K497 WeakPolarHBondContact O-CA 3.41Å; V494-K497 VanDerWaalsContact O-CB 3.29Å; V494-K497 WeakPolarHBondContact O-CB 3.49Å; V494-K497 PolarHBondContact O-N 3.5Å; V494-F498 HydrophobicContact CG1-CD2 3.89Å; V494-F498 HydrophobicContact CG1-CE2 3.56Å; V494-F498 WeakPolarHBondContact O-CD2 3.28Å; V494-F498 PolarHBondContact O-N 2.85Å; V494-F498 VanDerWaalsContact O-N 3.13Å; V494-L521 HydrophobicContact CG1-CD2 3.69Å
495L92.9Very high87.8Confident0 Ų052.3 Ų52.30%024%0.243CC..Hα-helixtrans-65.3-38.4-177.7-63.9177.1000112.8I491 L492 K497 F498 D499 L518 L521 K536 L537 T540I491-L495 HydrophobicContact CG1-CD1 4.35Å; I491-L495 WeakPolarHBondContact O-CG 3.14Å; I491-L495 PolarHBondContact O-N 3.35Å; L492-L495 PolarHBondContact O-N 3.24Å; L495-K497 PolarHBondContact O-N 2.87Å; L495-F498 HydrophobicContact CD2-CD2 4.48Å; L495-F498 WeakPolarHBondContact O-CB 3.36Å; L495-F498 PolarHBondContact O-N 2.81Å; L495-F498 VanDerWaalsContact O-N 3.1Å; L495-D499 PolarHBondContact O-N 3.23Å; L495-D499 VanDerWaalsContact O-OD2 3.07Å; L495-L518 HydrophobicContact CD2-CD1 3.86Å; L495-L521 HydrophobicContact CD2-CD2 4.34Å; L495-K536 HydrophobicContact CB-CG 4.04Å; L495-K536 HydrophobicContact CD1-CB 4.26Å; L495-K536 HydrophobicContact CD1-CG 3.59Å; L495-K536 HydrophobicContact CG-CG 4.47Å; L495-L537 HydrophobicContact CD1-CD2 3.78Å; L495-L537 HydrophobicContact CD1-CG 3.77Å; L495-L537 HydrophobicContact CD2-CD2 3.46Å; L495-L537 VanDerWaalsContact CD2-CD2 3.46Å; L495-L537 HydrophobicContact CD2-CG 4.38Å; L495-L537 HydrophobicContact CG-CD2 4.28Å; L495-T540 HydrophobicContact CD2-CG2 4.37Å
496I91.3Very high87.3Confident52 Ų5248.4 Ų48.427%0.26723%0.23SC..Hα-helixtrans-55.4-39.2170.3-68.3164.8000110.8L492 V494 D499 E500 D781 Y830L492-I496 WeakPolarHBondContact O-CG1 3.24Å; L492-I496 PolarHBondContact O-N 2.66Å; V494-I496 PolarHBondContact O-N 3.38Å; I496-D499 PolarHBondContact O-N 3.42Å; I496-E500 PolarHBondContact O-N 3.05Å; I496-D781 WeakPolarHBondContact CG1-OD2 3.28Å; I496-Y830 HydrophobicContact CD1-CD1 4.35Å; I496-Y830 HydrophobicContact CD1-CE1 4.01Å
497K90.8Very high86.8Confident46 Ų4649.1 Ų49.120%0.224%0.237CC..Hα-helixtrans-69-36.5178.7-162.175.1-166.1163.80112.6Y443 L447 G493 V494 L495 E500 R501Y443-K497 HydrophobicContact CD2-CB 4.39Å; Y443-K497 HydrophobicContact CG-CB 4.46Å; L447-K497 HydrophobicContact CD1-CG 3.73Å; L447-K497 HydrophobicContact CG-CG 4.28Å; G493-K497 PolarHBondContact O-N 3.07Å; V494-K497 WeakPolarHBondContact O-CA 3.41Å; V494-K497 VanDerWaalsContact O-CB 3.29Å; V494-K497 WeakPolarHBondContact O-CB 3.49Å; V494-K497 PolarHBondContact O-N 3.5Å; L495-K497 PolarHBondContact O-N 2.87Å; K497-E500 WeakPolarHBondContact CD-OE2 3.38Å; K497-E500 IonicContact NZ-OE2 3.22Å; K497-E500 PolarHBondContact NZ-OE2 2.93Å; K497-E500 PolarHBondContact O-N 2.98Å; K497-R501 WeakPolarHBondContact O-CG 3.22Å; K497-R501 PolarHBondContact O-N 3.35Å
498F94.5Very high86.6Confident0 Ų052.4 Ų52.40%025%0.254CS..Hα-helixtrans-61.3-45.3171-81.3-81.3000111.2L447 V494 L495 E500 R501 F502 A514 L518 L521 T540L447-F498 HydrophobicContact CD2-CD1 3.58Å; L447-F498 HydrophobicContact CD2-CD2 4.14Å; L447-F498 HydrophobicContact CD2-CE1 3.61Å; L447-F498 HydrophobicContact CD2-CE2 4.19Å; L447-F498 HydrophobicContact CD2-CG 3.84Å; L447-F498 HydrophobicContact CD2-CZ 3.95Å; V494-F498 HydrophobicContact CG1-CD2 3.89Å; V494-F498 HydrophobicContact CG1-CE2 3.56Å; V494-F498 WeakPolarHBondContact O-CD2 3.28Å; V494-F498 PolarHBondContact O-N 2.85Å; V494-F498 VanDerWaalsContact O-N 3.13Å; L495-F498 HydrophobicContact CD2-CD2 4.48Å; L495-F498 WeakPolarHBondContact O-CB 3.36Å; L495-F498 PolarHBondContact O-N 2.81Å; L495-F498 VanDerWaalsContact O-N 3.1Å; F498-E500 PolarHBondContact O-N 3.46Å; F498-R501 WeakPolarHBondContact O-CA 3.37Å; F498-R501 WeakPolarHBondContact O-CB 3.39Å; F498-R501 PolarHBondContact O-N 3.01Å; F498-F502 HydrophobicContact CB-CE2 3.91Å; F498-F502 HydrophobicContact CB-CZ 4.21Å; F498-F502 HydrophobicContact CD1-CE2 4.45Å; F498-F502 AromaticContact CD1-CZ 3.91Å; F498-F502 HydrophobicContact CD1-CZ 3.91Å; F498-F502 VanDerWaalsContact O-CD2 3.25Å; F498-F502 WeakPolarHBondContact O-CD2 3.42Å; F498-F502 VanDerWaalsContact O-CG 3.27Å; F498-F502 WeakPolarHBondContact O-CG 3.24Å; F498-F502 PolarHBondContact O-N 3.14Å; F498-A514 HydrophobicContact CD1-CB 4.12Å; F498-A514 HydrophobicContact CE1-CB 4.19Å; F498-A514 WeakPolarHBondContact CE1-O 2.95Å; F498-L518 HydrophobicContact CD1-CB 4.04Å; F498-L518 HydrophobicContact CD2-CD1 4.45Å; F498-L518 HydrophobicContact CE1-CB 3.89Å; F498-L518 HydrophobicContact CG-CD1 4.42Å; F498-L518 HydrophobicContact CZ-CB 4.38Å; F498-L521 HydrophobicContact CE2-CD2 3.84Å; F498-L521 HydrophobicContact CZ-CD2 4.49Å; F498-T540 HydrophobicContact CB-CG2 3.85Å
499D91.8Very high86.6Confident1 Ų156.6 Ų56.61%0.00527%0.268CS..Hα-helixtrans-60.2-44176.3-72.2-57.3000112.6L495 I496 R501 F502 R503 K536 T540 S543 F778L495-D499 PolarHBondContact O-N 3.23Å; L495-D499 VanDerWaalsContact O-OD2 3.07Å; I496-D499 PolarHBondContact O-N 3.42Å; D499-R501 VanDerWaalsContact C-N 3.31Å; D499-R501 PolarHBondContact O-N 3.36Å; D499-F502 PolarHBondContact O-N 3.23Å; D499-R503 PolarHBondContact O-N 2.91Å; D499-K536 IonicContact OD2-NZ 2.72Å; D499-K536 PolarHBondContact OD2-NZ 2.99Å; D499-T540 WeakPolarHBondContact OD1-CA 3.5Å; D499-T540 PolarHBondContact OD2-OG1 3.43Å; D499-S543 WeakPolarHBondContact OD1-CB 3.38Å; D499-S543 PolarHBondContact OD1-OG 3.46Å; D499-F778 HydrophobicContact CB-CD2 4.44Å; D499-F778 HydrophobicContact CB-CE2 3.89Å; D499-F778 HydrophobicContact CB-CZ 4.18Å; D499-F778 WeakPolarHBondContact O-CE2 3.18Å; D499-F778 WeakPolarHBondContact O-CZ 3.22Å
500E90.1Very high86.7Confident32 Ų3255 Ų5515%0.1525%0.252CS..Hα-helixtrans-53.5-45.9170-73.7-173.1168.100111.7I496 K497 F498 N504 F778 R833I496-E500 PolarHBondContact O-N 3.05Å; K497-E500 WeakPolarHBondContact CD-OE2 3.38Å; K497-E500 IonicContact NZ-OE2 3.22Å; K497-E500 PolarHBondContact NZ-OE2 2.93Å; K497-E500 PolarHBondContact O-N 2.98Å; F498-E500 PolarHBondContact O-N 3.46Å; E500-N504 WeakPolarHBondContact O-CB 3.43Å; E500-N504 PolarHBondContact O-N 3.4Å; E500-N504 VanDerWaalsContact O-N 3.08Å; E500-N504 PolarHBondContact O-ND2 3.39Å; E500-N504 PolarHBondContact O-OD1 3.36Å; E500-F778 HydrophobicContact CG-CE1 4.36Å; E500-F778 HydrophobicContact CG-CZ 4.36Å; E500-R833 IonicContact OE1-CZ 3.73Å; E500-R833 IonicContact OE1-NH1 3.65Å; E500-R833 IonicContact OE1-NH2 2.73Å; E500-R833 PolarHBondContact OE1-NH2 2.89Å
501R90.3Very high86.8Confident45 Ų4554.6 Ų54.617%0.1725%0.251CS..Hα-helixtrans-66-38.7179-70.2-67.4-179.6169.31.4113E444 L447 K497 F498 D499 A514E444-R501 IonicContact OE1-CZ 2.87Å; E444-R501 IonicContact OE1-NH2 2.9Å; E444-R501 PolarHBondContact OE1-NH2 2.62Å; E444-R501 IonicContact OE2-CZ 2.8Å; E444-R501 IonicContact OE2-NH2 3.04Å; E444-R501 PolarHBondContact OE2-NH2 3.46Å; L447-R501 HydrophobicContact CD1-CG 3.59Å; L447-R501 VanDerWaalsContact CD1-NE 3.27Å; L447-R501 HydrophobicContact CD2-CB 4.38Å; L447-R501 HydrophobicContact CD2-CG 3.69Å; L447-R501 HydrophobicContact CG-CG 4.29Å; K497-R501 WeakPolarHBondContact O-CG 3.22Å; K497-R501 PolarHBondContact O-N 3.35Å; F498-R501 WeakPolarHBondContact O-CA 3.37Å; F498-R501 WeakPolarHBondContact O-CB 3.39Å; F498-R501 PolarHBondContact O-N 3.01Å; D499-R501 VanDerWaalsContact C-N 3.31Å; D499-R501 PolarHBondContact O-N 3.36Å; R501-A514 HydrophobicContact CB-CB 4.49Å
502F91.2Very high86.9Confident4 Ų455.6 Ų55.62%0.01826%0.257CS..Hα-helixtrans-70.1-39.6-179.6-59.8-33.6000112.6F498 D499 K511 A514 I515 L518 T540 A544 I547F498-F502 HydrophobicContact CB-CE2 3.91Å; F498-F502 HydrophobicContact CB-CZ 4.21Å; F498-F502 HydrophobicContact CD1-CE2 4.45Å; F498-F502 AromaticContact CD1-CZ 3.91Å; F498-F502 HydrophobicContact CD1-CZ 3.91Å; F498-F502 VanDerWaalsContact O-CD2 3.25Å; F498-F502 WeakPolarHBondContact O-CD2 3.42Å; F498-F502 VanDerWaalsContact O-CG 3.27Å; F498-F502 WeakPolarHBondContact O-CG 3.24Å; F498-F502 PolarHBondContact O-N 3.14Å; D499-F502 PolarHBondContact O-N 3.23Å; F502-K511 PolarHBondContact O-NZ 3.15Å; F502-A514 HydrophobicContact CD1-CB 4.46Å; F502-A514 HydrophobicContact CE1-CB 3.67Å; F502-A514 HydrophobicContact CZ-CB 4.36Å; F502-I515 HydrophobicContact CD1-CG1 4.45Å; F502-I515 HydrophobicContact CE1-CG1 3.67Å; F502-I515 HydrophobicContact CZ-CG1 4.1Å; F502-L518 HydrophobicContact CE2-CD2 4.06Å; F502-L518 HydrophobicContact CZ-CD2 4.06Å; F502-T540 HydrophobicContact CD2-CG2 4.49Å; F502-T540 HydrophobicContact CE2-CG2 3.91Å; F502-A544 HydrophobicContact CD2-CB 4.07Å; F502-A544 HydrophobicContact CE2-CB 3.82Å; F502-A544 HydrophobicContact CZ-CB 4.09Å; F502-I547 HydrophobicContact CB-CD1 4.1Å; F502-I547 HydrophobicContact CD1-CD1 3.85Å; F502-I547 HydrophobicContact CG-CD1 4.19Å
503R84.8Confident87.1Confident152 Ų15254.3 Ų54.357%0.57425%0.25SC*.Hα-helixtrans-77.5-30.5-179.6-172.1172.7-174.9-171.36.2113.8D499 F778D499-R503 PolarHBondContact O-N 2.91Å; R503-F778 HydrophobicContact CB-CD2 4.49Å; R503-F778 HydrophobicContact CB-CE2 3.52Å; R503-F778 HydrophobicContact CB-CZ 3.9Å; R503-F778 HydrophobicContact CG-CE2 4.01Å; R503-F778 HydrophobicContact CG-CZ 4.39Å
504N83.1Confident87.4Confident86 Ų8653.6 Ų53.646%0.4624%0.242SC..SBendtrans-60.8147-179.2-74.4-16.2000112.2E500 G506 K511E500-N504 WeakPolarHBondContact O-CB 3.43Å; E500-N504 PolarHBondContact O-N 3.4Å; E500-N504 VanDerWaalsContact O-N 3.08Å; E500-N504 PolarHBondContact O-ND2 3.39Å; E500-N504 PolarHBondContact O-OD1 3.36Å; N504-G506 PolarHBondContact O-N 2.9Å; N504-K511 WeakPolarHBondContact O-CE 3.36Å; N504-K511 PolarHBondContact O-NZ 3.21Å
505R73.8Confident87.6Confident261 Ų26153.6 Ų53.699%0.98524%0.242SC*.  trans-76.835172.9-62.7-172.5-178.9-166.60.7112.6
506G73.3Confident87.7Confident33 Ų3355 Ų5534%0.3425%0.251SS..  trans-78.8176.4-179.400000113.4N504N504-G506 PolarHBondContact O-N 2.9Å
507P75.5Confident87.9Confident34 Ų3452.5 Ų52.522%0.22124%0.239CC..  trans-58.9142.1179.5-23.934.5000112.9D290 R509 Q510D290-P507 WeakPolarHBondContact O-CG 3.33Å; P507-R509 VanDerWaalsContact C-N 3.27Å; P507-R509 PolarHBondContact O-N 3.28Å; P507-Q510 HydrophobicContact CB-CG 4.44Å; P507-Q510 PolarHBondContact O-N 3.43Å; P507-Q510 VanDerWaalsContact O-N 3.12Å
508L82.3Confident88.2Confident76 Ų7650.3 Ų50.340%0.39823%0.229SC..Hα-helixtrans-57.1-40.2179.1-178.962.9000112Q510 K511 I512 D549L508-Q510 VanDerWaalsContact C-N 3.28Å; L508-Q510 PolarHBondContact O-N 2.95Å; L508-K511 WeakPolarHBondContact O-CA 3.4Å; L508-K511 WeakPolarHBondContact O-CB 3.45Å; L508-K511 PolarHBondContact O-N 3.44Å; L508-I512 HydrophobicContact CD2-CD1 4.41Å; L508-I512 HydrophobicContact CG-CD1 3.93Å; L508-I512 HydrophobicContact CG-CG1 4.4Å; L508-I512 PolarHBondContact O-N 2.95Å; L508-D549 HydrophobicContact CD1-CB 3.88Å
509R82.9Confident88.3Confident158 Ų15851.9 Ų51.960%0.59624%0.238SC*.Hα-helixtrans-54.3-41.1177.2-177.8175.8173.2179.4-1.4112.9E451 P507 K511 I512 I513E451-R509 IonicContact OE1-NH2 3.99Å; P507-R509 VanDerWaalsContact C-N 3.27Å; P507-R509 PolarHBondContact O-N 3.28Å; R509-K511 VanDerWaalsContact C-N 3.29Å; R509-K511 PolarHBondContact O-N 3.02Å; R509-I512 PolarHBondContact O-N 2.93Å; R509-I513 HydrophobicContact CG-CD1 3.91Å; R509-I513 WeakPolarHBondContact O-CD1 3.36Å; R509-I513 VanDerWaalsContact O-CG1 3.3Å; R509-I513 WeakPolarHBondContact O-CG1 3.47Å; R509-I513 PolarHBondContact O-N 3.43Å
510Q85.7Confident88.4Confident63 Ų6355.8 Ų55.829%0.29426%0.255SS..Hα-helixtrans-66.8-33.3178-67.1-177.88.100111.7P507 L508 A514P507-Q510 HydrophobicContact CB-CG 4.44Å; P507-Q510 PolarHBondContact O-N 3.43Å; P507-Q510 VanDerWaalsContact O-N 3.12Å; L508-Q510 VanDerWaalsContact C-N 3.28Å; L508-Q510 PolarHBondContact O-N 2.95Å; Q510-A514 VanDerWaalsContact O-CB 3.27Å; Q510-A514 WeakPolarHBondContact O-CB 3.49Å; Q510-A514 PolarHBondContact O-N 3.41Å
511K91Very high88.6Confident32 Ų3254.3 Ų54.314%0.13925%0.248CC..Hα-helixtrans-70-42.3175.3-58-168.6-179.7-160.40111.4F502 N504 L508 R509 I513 A514 I515 I547F502-K511 PolarHBondContact O-NZ 3.15Å; N504-K511 WeakPolarHBondContact O-CE 3.36Å; N504-K511 PolarHBondContact O-NZ 3.21Å; L508-K511 WeakPolarHBondContact O-CA 3.4Å; L508-K511 WeakPolarHBondContact O-CB 3.45Å; L508-K511 PolarHBondContact O-N 3.44Å; R509-K511 VanDerWaalsContact C-N 3.29Å; R509-K511 PolarHBondContact O-N 3.02Å; K511-I513 PolarHBondContact O-N 2.83Å; K511-A514 PolarHBondContact O-N 3.47Å; K511-I515 VanDerWaalsContact O-CG1 3.3Å; K511-I515 WeakPolarHBondContact O-CG1 3.45Å; K511-I515 PolarHBondContact O-N 2.9Å; K511-I547 HydrophobicContact CB-CD1 4.29Å; K511-I547 HydrophobicContact CD-CD1 3.99Å; K511-I547 HydrophobicContact CD-CG1 4.41Å; K511-I547 HydrophobicContact CD-CG2 4.36Å
512I91.1Very high88.8Confident30 Ų3052.2 Ų52.215%0.15424%0.24CC..Hα-helixtrans-57-49.1174.5-71.8165.3000111L508 R509 I515 S516 E551 L555L508-I512 HydrophobicContact CD2-CD1 4.41Å; L508-I512 HydrophobicContact CG-CD1 3.93Å; L508-I512 HydrophobicContact CG-CG1 4.4Å; L508-I512 PolarHBondContact O-N 2.95Å; R509-I512 PolarHBondContact O-N 2.93Å; I512-I515 PolarHBondContact O-N 3.38Å; I512-S516 WeakPolarHBondContact O-CB 3.49Å; I512-S516 PolarHBondContact O-N 3.14Å; I512-S516 PolarHBondContact O-OG 3.39Å; I512-E551 HydrophobicContact CD1-CG 4.38Å; I512-E551 VanDerWaalsContact CD1-OE2 3.28Å; I512-E551 WeakPolarHBondContact CD1-OE2 3.45Å; I512-L555 HydrophobicContact CB-CD1 4.39Å; I512-L555 HydrophobicContact CG2-CD1 3.72Å
513I91.9Very high88.9Confident17 Ų1754.6 Ų54.69%0.08726%0.261CS..Hα-helixtrans-61.1-47.4176.8-67159.2000110E451 R509 K511 I515 S516 S517E451-I513 VanDerWaalsContact CD-CD1 3.46Å; E451-I513 HydrophobicContact CG-CD1 4.05Å; E451-I513 HydrophobicContact CG-CG1 3.93Å; E451-I513 HydrophobicContact CG-CG2 3.8Å; E451-I513 WeakPolarHBondContact OE1-CD1 3.43Å; R509-I513 HydrophobicContact CG-CD1 3.91Å; R509-I513 WeakPolarHBondContact O-CD1 3.36Å; R509-I513 VanDerWaalsContact O-CG1 3.3Å; R509-I513 WeakPolarHBondContact O-CG1 3.47Å; R509-I513 PolarHBondContact O-N 3.43Å; K511-I513 PolarHBondContact O-N 2.83Å; I513-I515 PolarHBondContact O-N 3.47Å; I513-S516 PolarHBondContact O-N 3.15Å; I513-S517 WeakPolarHBondContact O-CB 3.49Å; I513-S517 PolarHBondContact O-N 2.86Å; I513-S517 PolarHBondContact O-OG 3.11Å
514A94.4Very high89.2Confident2 Ų249.4 Ų49.42%0.01724%0.244CC..Hα-helixtrans-61.5-41.6179.800000112.8L447 F498 R501 F502 Q510 K511 S516 S517 L518L447-A514 HydrophobicContact CD2-CB 4.44Å; F498-A514 HydrophobicContact CD1-CB 4.12Å; F498-A514 HydrophobicContact CE1-CB 4.19Å; F498-A514 WeakPolarHBondContact CE1-O 2.95Å; R501-A514 HydrophobicContact CB-CB 4.49Å; F502-A514 HydrophobicContact CD1-CB 4.46Å; F502-A514 HydrophobicContact CE1-CB 3.67Å; F502-A514 HydrophobicContact CZ-CB 4.36Å; Q510-A514 VanDerWaalsContact O-CB 3.27Å; Q510-A514 WeakPolarHBondContact O-CB 3.49Å; Q510-A514 PolarHBondContact O-N 3.41Å; K511-A514 PolarHBondContact O-N 3.47Å; A514-S516 VanDerWaalsContact C-N 3.34Å; A514-S516 PolarHBondContact O-N 3.36Å; A514-S517 PolarHBondContact O-N 2.86Å; A514-L518 VanDerWaalsContact O-CB 3.32Å; A514-L518 WeakPolarHBondContact O-CB 3.16Å; A514-L518 PolarHBondContact O-N 3.2Å
515I95.9Very high89.5Confident1 Ų145.7 Ų45.71%0.00522%0.224CC..Hα-helixtrans-64.3-43.3176.6-64.2164.2000110.4F502 K511 I512 I513 S517 L518 N519 A544 I547 C552 L555F502-I515 HydrophobicContact CD1-CG1 4.45Å; F502-I515 HydrophobicContact CE1-CG1 3.67Å; F502-I515 HydrophobicContact CZ-CG1 4.1Å; K511-I515 VanDerWaalsContact O-CG1 3.3Å; K511-I515 WeakPolarHBondContact O-CG1 3.45Å; K511-I515 PolarHBondContact O-N 2.9Å; I512-I515 PolarHBondContact O-N 3.38Å; I513-I515 PolarHBondContact O-N 3.47Å; I515-S517 PolarHBondContact O-N 2.89Å; I515-L518 WeakPolarHBondContact O-CB 3.45Å; I515-L518 PolarHBondContact O-N 3.35Å; I515-N519 PolarHBondContact O-N 2.96Å; I515-A544 HydrophobicContact CG1-CB 4.32Å; I515-I547 HydrophobicContact CD1-CD1 4.11Å; I515-C552 HydrophobicContact CD1-CB 3.57Å; I515-L555 HydrophobicContact CB-CB 4.37Å; I515-L555 HydrophobicContact CG2-CB 3.62Å
516S95.9Very high90.2Very high29 Ų2935.8 Ų35.820%0.20320%0.199CC..Hα-helixtrans-64.2-41.3178.2-55.10000111.6A450 I512 I513 A514 N519 K520A450-S516 VanDerWaalsContact CB-C 3.46Å; A450-S516 VanDerWaalsContact CB-CB 3.45Å; I512-S516 WeakPolarHBondContact O-CB 3.49Å; I512-S516 PolarHBondContact O-N 3.14Å; I512-S516 PolarHBondContact O-OG 3.39Å; I513-S516 PolarHBondContact O-N 3.15Å; A514-S516 VanDerWaalsContact C-N 3.34Å; A514-S516 PolarHBondContact O-N 3.36Å; S516-N519 WeakPolarHBondContact O-CB 3.5Å; S516-N519 PolarHBondContact O-N 3.47Å; S516-K520 PolarHBondContact O-N 2.9Å; S516-K520 VanDerWaalsContact O-N 3.12Å
517S96.4Very high90.8Very high0 Ų035.3 Ų35.30%019%0.194CC..Hα-helixtrans-66.9-38176-63.90000111.9L446 L447 L449 A450 I513 A514 I515 N519 K520 L521L446-S517 WeakPolarHBondContact O-CB 3.3Å; L447-S517 VanDerWaalsContact O-CB 3.23Å; L447-S517 WeakPolarHBondContact O-CB 3.13Å; L447-S517 PolarHBondContact O-OG 3.44Å; L449-S517 PolarHBondContact N-OG 3.21Å; L449-S517 VanDerWaalsContact N-OG 3.08Å; A450-S517 PolarHBondContact N-OG 3.5Å; I513-S517 WeakPolarHBondContact O-CB 3.49Å; I513-S517 PolarHBondContact O-N 2.86Å; I513-S517 PolarHBondContact O-OG 3.11Å; A514-S517 PolarHBondContact O-N 2.86Å; I515-S517 PolarHBondContact O-N 2.89Å; S517-N519 VanDerWaalsContact C-N 3.35Å; S517-K520 PolarHBondContact O-N 3.19Å; S517-L521 WeakPolarHBondContact O-CB 3.45Å; S517-L521 PolarHBondContact O-N 3.48Å
518L96.8Very high91.3Very high0 Ų041.8 Ų41.80%022%0.218CC..Hα-helixtrans-62.1-43.5173.4179.463.6000110.7L495 F498 F502 A514 I515 K520 L521 I522 L537 T540 L541L495-L518 HydrophobicContact CD2-CD1 3.86Å; F498-L518 HydrophobicContact CD1-CB 4.04Å; F498-L518 HydrophobicContact CD2-CD1 4.45Å; F498-L518 HydrophobicContact CE1-CB 3.89Å; F498-L518 HydrophobicContact CG-CD1 4.42Å; F498-L518 HydrophobicContact CZ-CB 4.38Å; F502-L518 HydrophobicContact CE2-CD2 4.06Å; F502-L518 HydrophobicContact CZ-CD2 4.06Å; A514-L518 VanDerWaalsContact O-CB 3.32Å; A514-L518 WeakPolarHBondContact O-CB 3.16Å; A514-L518 PolarHBondContact O-N 3.2Å; I515-L518 WeakPolarHBondContact O-CB 3.45Å; I515-L518 PolarHBondContact O-N 3.35Å; L518-K520 VanDerWaalsContact C-N 3.32Å; L518-K520 PolarHBondContact O-N 3.32Å; L518-L521 WeakPolarHBondContact O-CB 3.47Å; L518-L521 PolarHBondContact O-N 3.19Å; L518-I522 HydrophobicContact CD1-CD1 4.33Å; L518-I522 HydrophobicContact CD1-CG1 4.39Å; L518-I522 HydrophobicContact CG-CD1 3.97Å; L518-I522 HydrophobicContact CG-CG1 4.48Å; L518-I522 VanDerWaalsContact O-CG1 3.23Å; L518-I522 WeakPolarHBondContact O-CG1 3.24Å; L518-I522 PolarHBondContact O-N 2.92Å; L518-L537 HydrophobicContact CD1-CD2 4.02Å; L518-T540 HydrophobicContact CD1-CG2 4.37Å; L518-T540 HydrophobicContact CD2-CG2 3.99Å; L518-L541 HydrophobicContact CD2-CD2 3.89Å
519N96.7Very high91.5Very high34 Ų3439.3 Ų39.318%0.18221%0.206CC..Hα-helixtrans-56.7-46.7175-174.119.8000111.6I515 S516 S517 I522 A523 A559 T562I515-N519 PolarHBondContact O-N 2.96Å; S516-N519 WeakPolarHBondContact O-CB 3.5Å; S516-N519 PolarHBondContact O-N 3.47Å; S517-N519 VanDerWaalsContact C-N 3.35Å; N519-I522 PolarHBondContact O-N 3.46Å; N519-A523 PolarHBondContact O-N 3.1Å; N519-A523 VanDerWaalsContact O-N 3.08Å; N519-A559 HydrophobicContact CB-CB 3.95Å; N519-A559 WeakPolarHBondContact OD1-CA 3.25Å; N519-T562 WeakPolarHBondContact OD1-CB 3.17Å; N519-T562 PolarHBondContact OD1-OG1 3.38Å
520K94.3Very high91.8Very high82 Ų8231.8 Ų31.836%0.35718%0.178SC..Hα-helixtrans-62.2-43.3175-70.2-71.8-174156.50112.3L449 A450 E453 S516 S517 L518 I522 A523 L524L449-K520 HydrophobicContact CD2-CB 3.69Å; L449-K520 HydrophobicContact CG-CB 4.12Å; A450-K520 HydrophobicContact CB-CG 4.43Å; E453-K520 WeakPolarHBondContact OE2-CE 3.35Å; E453-K520 IonicContact OE2-NZ 2.68Å; E453-K520 PolarHBondContact OE2-NZ 3.41Å; S516-K520 PolarHBondContact O-N 2.9Å; S516-K520 VanDerWaalsContact O-N 3.12Å; S517-K520 PolarHBondContact O-N 3.19Å; L518-K520 VanDerWaalsContact C-N 3.32Å; L518-K520 PolarHBondContact O-N 3.32Å; K520-I522 VanDerWaalsContact C-N 3.33Å; K520-I522 PolarHBondContact O-N 2.94Å; K520-A523 WeakPolarHBondContact O-CB 3.32Å; K520-A523 PolarHBondContact O-N 2.91Å; K520-L524 WeakPolarHBondContact O-CG 3.45Å; K520-L524 PolarHBondContact O-N 3.35Å
521L94.1Very high91.9Very high2 Ų230.3 Ų30.31%0.0117%0.172CC..Hα-helixtrans-61.4-40.9177-177.564.1000112.1I487 I491 V494 L495 F498 S517 L518 A523 L524 C525I487-L521 HydrophobicContact CG2-CD1 4.39Å; I491-L521 HydrophobicContact CD1-CD1 4.08Å; I491-L521 HydrophobicContact CD1-CD2 3.9Å; I491-L521 HydrophobicContact CD1-CG 4.14Å; V494-L521 HydrophobicContact CG1-CD2 3.69Å; L495-L521 HydrophobicContact CD2-CD2 4.34Å; F498-L521 HydrophobicContact CE2-CD2 3.84Å; F498-L521 HydrophobicContact CZ-CD2 4.49Å; S517-L521 WeakPolarHBondContact O-CB 3.45Å; S517-L521 PolarHBondContact O-N 3.48Å; L518-L521 WeakPolarHBondContact O-CB 3.47Å; L518-L521 PolarHBondContact O-N 3.19Å; L521-A523 VanDerWaalsContact C-N 3.34Å; L521-L524 PolarHBondContact O-N 2.98Å; L521-C525 PolarHBondContact O-N 3.22Å; L521-C525 PolarHBondContact O-SG 3.36Å
522I94.5Very high91.6Very high1 Ų134.4 Ų34.41%0.00519%0.192CC..Hα-helixtrans-61.3-44.8175.4-68.3164.3000110.4L518 N519 K520 L524 C525 A526 L530 L537 L541 A559 T562 F563L518-I522 HydrophobicContact CD1-CD1 4.33Å; L518-I522 HydrophobicContact CD1-CG1 4.39Å; L518-I522 HydrophobicContact CG-CD1 3.97Å; L518-I522 HydrophobicContact CG-CG1 4.48Å; L518-I522 VanDerWaalsContact O-CG1 3.23Å; L518-I522 WeakPolarHBondContact O-CG1 3.24Å; L518-I522 PolarHBondContact O-N 2.92Å; N519-I522 PolarHBondContact O-N 3.46Å; K520-I522 VanDerWaalsContact C-N 3.33Å; K520-I522 PolarHBondContact O-N 2.94Å; I522-L524 VanDerWaalsContact C-N 3.3Å; I522-L524 PolarHBondContact O-N 3.25Å; I522-C525 PolarHBondContact O-N 3.19Å; I522-A526 PolarHBondContact O-N 3.34Å; I522-L530 HydrophobicContact CG2-CD1 4Å; I522-L537 HydrophobicContact CD1-CD2 4.42Å; I522-L537 HydrophobicContact CG1-CD1 4.33Å; I522-L537 HydrophobicContact CG1-CD2 3.96Å; I522-L541 HydrophobicContact CD1-CD1 4.32Å; I522-L541 HydrophobicContact CD1-CD2 4.08Å; I522-L541 HydrophobicContact CD1-CG 4.47Å; I522-A559 HydrophobicContact CD1-CB 4.43Å; I522-T562 HydrophobicContact CB-CG2 4.28Å; I522-T562 HydrophobicContact CG2-CG2 3.87Å; I522-F563 HydrophobicContact CD1-CB 4.42Å; I522-F563 HydrophobicContact CG2-CB 4.04Å; I522-F563 HydrophobicContact CG2-CD2 4.37Å
523A93.2Very high91.4Very high54 Ų5433.5 Ų33.545%0.44619%0.188SC..Hα-helixtrans-59.3-40.8176.200000112N519 K520 L521 C525 A526 T562N519-A523 PolarHBondContact O-N 3.1Å; N519-A523 VanDerWaalsContact O-N 3.08Å; K520-A523 WeakPolarHBondContact O-CB 3.32Å; K520-A523 PolarHBondContact O-N 2.91Å; L521-A523 VanDerWaalsContact C-N 3.34Å; A523-C525 VanDerWaalsContact C-N 3.34Å; A523-C525 PolarHBondContact O-N 2.87Å; A523-A526 WeakPolarHBondContact O-CB 3.48Å; A523-A526 PolarHBondContact O-N 2.96Å; A523-T562 HydrophobicContact CB-CG2 3.74Å
524L89.6Confident91.3Very high43 Ų4334.3 Ų34.323%0.22519%0.191CC..Hα-helixtrans-67.8-31.5177.8-67.6172.4000113.3L449 F457 K520 L521 I522L449-L524 HydrophobicContact CD2-CD1 3.79Å; F457-L524 HydrophobicContact CE2-CD1 3.85Å; F457-L524 HydrophobicContact CE2-CD2 4.37Å; F457-L524 HydrophobicContact CZ-CD1 3.6Å; F457-L524 HydrophobicContact CZ-CD2 3.71Å; F457-L524 HydrophobicContact CZ-CG 4.31Å; K520-L524 WeakPolarHBondContact O-CG 3.45Å; K520-L524 PolarHBondContact O-N 3.35Å; L521-L524 PolarHBondContact O-N 2.98Å; I522-L524 VanDerWaalsContact C-N 3.3Å; I522-L524 PolarHBondContact O-N 3.25Å
525C89.4Confident91Very high7 Ų735.5 Ų35.55%0.04720%0.199CC..THydrogen-bonded Turntrans-89.81.1-179.4-68.30000114L521 I522 A523 V529 L530L521-C525 PolarHBondContact O-N 3.22Å; L521-C525 PolarHBondContact O-SG 3.36Å; I522-C525 PolarHBondContact O-N 3.19Å; A523-C525 VanDerWaalsContact C-N 3.34Å; A523-C525 PolarHBondContact O-N 2.87Å; C525-V529 HydrophobicContact CB-CG1 4.17Å; C525-L530 HydrophobicContact CB-CD1 4.34Å; C525-L530 VanDerWaalsContact O-CB 3.29Å; C525-L530 WeakPolarHBondContact O-CB 3.48Å; C525-L530 PolarHBondContact O-N 2.89Å
526A88.7Confident90.7Very high54 Ų5435.6 Ų35.645%0.44620%0.199SC..THydrogen-bonded Turntrans-51.4146.7-173.600000113.9I522 A523I522-A526 PolarHBondContact O-N 3.34Å; A523-A526 WeakPolarHBondContact O-CB 3.48Å; A523-A526 PolarHBondContact O-N 2.96Å
527G87.3Confident90.5Very high23 Ų2334.4 Ų34.424%0.23719%0.19CC..THydrogen-bonded Turntrans88.4-137-175.700000113.2V529 L530 D531 G566G527-V529 VanDerWaalsContact C-N 3.32Å; G527-V529 PolarHBondContact O-N 2.87Å; G527-L530 WeakPolarHBondContact O-CB 3.45Å; G527-L530 PolarHBondContact O-N 3.5Å; G527-L530 VanDerWaalsContact O-N 3.14Å; G527-D531 PolarHBondContact O-N 3.49Å; G527-D531 VanDerWaalsContact O-N 3.11Å; G527-G566 PolarHBondContact N-O 3.43Å
528K85.3Confident90.2Very high169 Ų16934.9 Ų34.974%0.73519%0.193SC*.Hα-helixtrans-60.9-36.8-170.1-67.8-175.3179-178.80113.8D531 E532K528-D531 PolarHBondContact O-N 2.94Å; K528-E532 WeakPolarHBondContact O-CG 3.44Å; K528-E532 PolarHBondContact O-N 2.96Å
529V85.8Confident89.9Confident24 Ų2435 Ų3515%0.14519%0.193CC..Hα-helixtrans-66.3-42.6179.2-179.50000109.9K488 C525 G527 D531 E532 V533K488-V529 HydrophobicContact CD-CG1 4.46Å; K488-V529 HydrophobicContact CD-CG2 3.83Å; K488-V529 HydrophobicContact CG-CG1 4.08Å; K488-V529 HydrophobicContact CG-CG2 4.32Å; C525-V529 HydrophobicContact CB-CG1 4.17Å; G527-V529 VanDerWaalsContact C-N 3.32Å; G527-V529 PolarHBondContact O-N 2.87Å; V529-D531 VanDerWaalsContact C-N 3.32Å; V529-D531 PolarHBondContact O-N 2.98Å; V529-E532 PolarHBondContact O-N 3.28Å; V529-V533 WeakPolarHBondContact O-CG2 3.37Å; V529-V533 PolarHBondContact O-N 3.45Å
530L89.5Confident89.8Confident0 Ų033.3 Ų33.30%019%0.185CC..Hα-helixtrans-59.1-43.6175.6-16271.5000111.8I522 C525 G527 E532 V533 K534 L537 F563 G566 L567I522-L530 HydrophobicContact CG2-CD1 4Å; C525-L530 HydrophobicContact CB-CD1 4.34Å; C525-L530 VanDerWaalsContact O-CB 3.29Å; C525-L530 WeakPolarHBondContact O-CB 3.48Å; C525-L530 PolarHBondContact O-N 2.89Å; G527-L530 WeakPolarHBondContact O-CB 3.45Å; G527-L530 PolarHBondContact O-N 3.5Å; G527-L530 VanDerWaalsContact O-N 3.14Å; L530-E532 VanDerWaalsContact C-N 3.3Å; L530-E532 PolarHBondContact O-N 3.42Å; L530-V533 CarbonylContact O-C 3.57Å; L530-V533 PolarHBondContact O-N 3.31Å; L530-V533 VanDerWaalsContact O-N 3.16Å; L530-K534 WeakPolarHBondContact O-CA 3.46Å; L530-K534 WeakPolarHBondContact O-CB 3.5Å; L530-K534 PolarHBondContact O-N 3.35Å; L530-L537 HydrophobicContact CD1-CD1 3.18Å; L530-L537 HydrophobicContact CG-CD1 4.27Å; L530-F563 HydrophobicContact CD1-CD2 4.16Å; L530-F563 HydrophobicContact CD1-CE2 4.36Å; L530-F563 HydrophobicContact CD2-CD2 4.21Å; L530-F563 HydrophobicContact CG-CD2 4.36Å; L530-F563 HydrophobicContact CG-CE2 4.33Å; L530-G566 WeakPolarHBondContact CD2-O 3.1Å; L530-L567 HydrophobicContact CB-CD2 4.5Å; L530-L567 HydrophobicContact CD2-CB 4.48Å; L530-L567 HydrophobicContact CD2-CD2 3.82Å; L530-L567 HydrophobicContact CD2-CG 3.83Å; L530-L567 HydrophobicContact CG-CD2 3.91Å; L530-L567 HydrophobicContact CG-CG 4.45Å
531D87.7Confident89.7Confident32 Ų3229.4 Ų29.417%0.17117%0.168CC..Hα-helixtrans-62.6-36.3179.9-64.1-15.5000112.7G527 K528 V529 V533 K534 T568 A571G527-D531 PolarHBondContact O-N 3.49Å; G527-D531 VanDerWaalsContact O-N 3.11Å; K528-D531 PolarHBondContact O-N 2.94Å; V529-D531 VanDerWaalsContact C-N 3.32Å; V529-D531 PolarHBondContact O-N 2.98Å; D531-V533 VanDerWaalsContact C-N 3.3Å; D531-V533 PolarHBondContact O-N 3.2Å; D531-K534 VanDerWaalsContact O-CD 3.31Å; D531-K534 WeakPolarHBondContact O-CD 3.37Å; D531-K534 VanDerWaalsContact O-CG 3.25Å; D531-K534 WeakPolarHBondContact O-CG 3.3Å; D531-T568 VanDerWaalsContact CG-OG1 3.24Å; D531-T568 PolarHBondContact OD1-N 3.49Å; D531-T568 VanDerWaalsContact OD1-N 3.12Å; D531-T568 PolarHBondContact OD1-OG1 2.65Å; D531-T568 VanDerWaalsContact OD2-CB 3.25Å; D531-T568 WeakPolarHBondContact OD2-CB 3.48Å; D531-T568 WeakPolarHBondContact OD2-CG2 3.28Å; D531-T568 PolarHBondContact OD2-OG1 3.36Å; D531-A571 HydrophobicContact CB-CB 4.01Å; D531-A571 VanDerWaalsContact CG-CB 3.42Å; D531-A571 WeakPolarHBondContact OD1-CB 3.38Å
532E85.3Confident89.6Confident119 Ų11930.2 Ų30.256%0.55617%0.171SC*.Hα-helixtrans-65.9-32.7176.8-71.4170.5-161.300111.8K488 K528 V529 L530K488-E532 WeakPolarHBondContact CE-OE2 3.48Å; K488-E532 IonicContact NZ-OE1 3.15Å; K488-E532 PolarHBondContact NZ-OE1 3.22Å; K488-E532 IonicContact NZ-OE2 3.33Å; K488-E532 PolarHBondContact NZ-OE2 2.86Å; K488-E532 VanDerWaalsContact NZ-OE2 3.1Å; K528-E532 WeakPolarHBondContact O-CG 3.44Å; K528-E532 PolarHBondContact O-N 2.96Å; V529-E532 PolarHBondContact O-N 3.28Å; L530-E532 VanDerWaalsContact C-N 3.3Å; L530-E532 PolarHBondContact O-N 3.42Å
533V87.9Confident89.4Confident11 Ų1130.5 Ų30.57%0.06717%0.172CC..Hα-helixtrans-107.34.2-175.5-56.50000114I491 L492 V529 L530 D531 S535 K536 L537I491-V533 HydrophobicContact CG1-CG1 4.33Å; I491-V533 HydrophobicContact CG2-CG1 3.45Å; I491-V533 VanDerWaalsContact CG2-CG1 3.45Å; L492-V533 HydrophobicContact CD2-CG1 4.42Å; V529-V533 WeakPolarHBondContact O-CG2 3.37Å; V529-V533 PolarHBondContact O-N 3.45Å; L530-V533 CarbonylContact O-C 3.57Å; L530-V533 PolarHBondContact O-N 3.31Å; L530-V533 VanDerWaalsContact O-N 3.16Å; D531-V533 VanDerWaalsContact C-N 3.3Å; D531-V533 PolarHBondContact O-N 3.2Å; V533-S535 VanDerWaalsContact C-N 3.29Å; V533-S535 PolarHBondContact O-N 3.47Å; V533-S535 VanDerWaalsContact O-N 3.16Å; V533-K536 PolarHBondContact O-N 3.35Å; V533-L537 HydrophobicContact CG2-CD1 3.59Å; V533-L537 HydrophobicContact CG2-CG 4.04Å; V533-L537 PolarHBondContact O-N 2.93Å
534K89.5Confident89.4Confident34 Ų3428 Ų2815%0.14815%0.152CC..Hα-helixtrans-52.3-42.4-170.566.4-170.8170.8175.70113.7L530 D531 K536 L537 L538 F563 L567 A571 D574 F575L530-K534 WeakPolarHBondContact O-CA 3.46Å; L530-K534 WeakPolarHBondContact O-CB 3.5Å; L530-K534 PolarHBondContact O-N 3.35Å; D531-K534 VanDerWaalsContact O-CD 3.31Å; D531-K534 WeakPolarHBondContact O-CD 3.37Å; D531-K534 VanDerWaalsContact O-CG 3.25Å; D531-K534 WeakPolarHBondContact O-CG 3.3Å; K534-K536 PolarHBondContact O-N 3.09Å; K534-L537 PolarHBondContact O-N 2.99Å; K534-L538 VanDerWaalsContact O-CB 3.29Å; K534-L538 WeakPolarHBondContact O-CB 3.34Å; K534-L538 PolarHBondContact O-N 3.41Å; K534-F563 HydrophobicContact CB-CE2 4.5Å; K534-F563 HydrophobicContact CB-CZ 4.28Å; K534-L567 HydrophobicContact CB-CD2 3.91Å; K534-A571 HydrophobicContact CD-CB 3.98Å; K534-D574 IonicContact NZ-OD2 3.09Å; K534-F575 HydrophobicContact CD-CD2 3.99Å; K534-F575 HydrophobicContact CD-CE2 3.92Å; K534-F575 HydrophobicContact CG-CE2 4.48Å
535S87.4Confident89.4Confident27 Ų2727.1 Ų27.119%0.18915%0.147CC..Hα-helixtrans-66.1-37.6-179.7-56.20000112.4V533 S539 Y780V533-S535 VanDerWaalsContact C-N 3.29Å; V533-S535 PolarHBondContact O-N 3.47Å; V533-S535 VanDerWaalsContact O-N 3.16Å; S535-S539 PolarHBondContact O-N 3.16Å; S535-Y780 VanDerWaalsContact CB-OH 3.24Å; S535-Y780 WeakPolarHBondContact CB-OH 3.28Å
536K89.1Confident89.2Confident2 Ų231.1 Ų31.11%0.00918%0.176CC..Hα-helixtrans-74.7-41.6176.8176.658.1-168.7156.90111.3L492 L495 D499 V533 K534 L538 S539 T540 Y780 D781L492-K536 HydrophobicContact CD2-CB 3.85Å; L492-K536 HydrophobicContact CD2-CG 3.8Å; L495-K536 HydrophobicContact CB-CG 4.04Å; L495-K536 HydrophobicContact CD1-CB 4.26Å; L495-K536 HydrophobicContact CD1-CG 3.59Å; L495-K536 HydrophobicContact CG-CG 4.47Å; D499-K536 IonicContact OD2-NZ 2.72Å; D499-K536 PolarHBondContact OD2-NZ 2.99Å; V533-K536 PolarHBondContact O-N 3.35Å; K534-K536 PolarHBondContact O-N 3.09Å; K536-L538 VanDerWaalsContact C-N 3.3Å; K536-L538 PolarHBondContact O-N 3Å; K536-S539 PolarHBondContact O-N 3.5Å; K536-S539 PolarHBondContact O-OG 2.91Å; K536-T540 PolarHBondContact NZ-OG1 3.15Å; K536-T540 PolarHBondContact O-N 2.95Å; K536-T540 PolarHBondContact O-OG1 3.15Å; K536-Y780 HydrophobicContact CB-CE1 3.84Å; K536-Y780 HydrophobicContact CD-CD1 3.64Å; K536-Y780 HydrophobicContact CD-CE1 3.69Å; K536-Y780 HydrophobicContact CG-CE1 4.31Å; K536-D781 VanDerWaalsContact CD-OD1 3.3Å; K536-D781 WeakPolarHBondContact CD-OD1 3.27Å; K536-D781 WeakPolarHBondContact CE-OD1 3.32Å; K536-D781 IonicContact NZ-OD1 3.94Å; K536-D781 PolarHBondContact NZ-OD1 3.14Å; K536-D781 VanDerWaalsContact NZ-OD1 3.09Å; K536-D781 IonicContact NZ-OD2 2.65Å; K536-D781 PolarHBondContact NZ-OD2 3.4Å
537L92.1Very high89.2Confident4 Ų429.3 Ų29.32%0.02116%0.158CC..Hα-helixtrans-61.9-39.5175-86.9174.8000112.3L495 L518 I522 L530 V533 K534 S539 T540 L541 F563L495-L537 HydrophobicContact CD1-CD2 3.78Å; L495-L537 HydrophobicContact CD1-CG 3.77Å; L495-L537 HydrophobicContact CD2-CD2 3.46Å; L495-L537 VanDerWaalsContact CD2-CD2 3.46Å; L495-L537 HydrophobicContact CD2-CG 4.38Å; L495-L537 HydrophobicContact CG-CD2 4.28Å; L518-L537 HydrophobicContact CD1-CD2 4.02Å; I522-L537 HydrophobicContact CD1-CD2 4.42Å; I522-L537 HydrophobicContact CG1-CD1 4.33Å; I522-L537 HydrophobicContact CG1-CD2 3.96Å; L530-L537 HydrophobicContact CD1-CD1 3.18Å; L530-L537 HydrophobicContact CG-CD1 4.27Å; V533-L537 HydrophobicContact CG2-CD1 3.59Å; V533-L537 HydrophobicContact CG2-CG 4.04Å; V533-L537 PolarHBondContact O-N 2.93Å; K534-L537 PolarHBondContact O-N 2.99Å; L537-S539 VanDerWaalsContact C-N 3.32Å; L537-S539 PolarHBondContact O-N 3.16Å; L537-T540 PolarHBondContact O-N 3.19Å; L537-L541 WeakPolarHBondContact O-CB 3.37Å; L537-L541 WeakPolarHBondContact O-CG 3.4Å; L537-L541 PolarHBondContact O-N 2.94Å; L537-F563 HydrophobicContact CB-CD2 4.28Å; L537-F563 HydrophobicContact CB-CE2 3.74Å; L537-F563 HydrophobicContact CB-CZ 4.42Å; L537-F563 HydrophobicContact CD1-CD2 4.26Å; L537-F563 HydrophobicContact CD1-CE2 4.09Å
538L91Very high89Confident11 Ų1132.9 Ų32.96%0.05819%0.185CC..Hα-helixtrans-56.7-45.8174.2-177.175.3000111.3K534 K536 L541 R542 W560 F563 T578 I579K534-L538 VanDerWaalsContact O-CB 3.29Å; K534-L538 WeakPolarHBondContact O-CB 3.34Å; K534-L538 PolarHBondContact O-N 3.41Å; K536-L538 VanDerWaalsContact C-N 3.3Å; K536-L538 PolarHBondContact O-N 3Å; L538-L541 PolarHBondContact O-N 3.37Å; L538-R542 WeakPolarHBondContact O-CG 3.23Å; L538-R542 PolarHBondContact O-N 3.29Å; L538-W560 HydrophobicContact CD1-CH2 3.52Å; L538-W560 HydrophobicContact CD1-CZ3 3.67Å; L538-F563 HydrophobicContact CD1-CE1 4.39Å; L538-T578 HydrophobicContact CD2-CG2 3.78Å; L538-I579 HydrophobicContact CD1-CG1 4.02Å
539S90.1Very high89Confident1 Ų126.8 Ų26.81%0.00716%0.161CC..Hα-helixtrans-69.3-35.9178.3680000112.6S535 K536 L537 R542 S543 G777S535-S539 PolarHBondContact O-N 3.16Å; K536-S539 PolarHBondContact O-N 3.5Å; K536-S539 PolarHBondContact O-OG 2.91Å; L537-S539 VanDerWaalsContact C-N 3.32Å; L537-S539 PolarHBondContact O-N 3.16Å; S539-R542 WeakPolarHBondContact O-CB 3.35Å; S539-R542 PolarHBondContact O-N 2.99Å; S539-S543 PolarHBondContact O-N 3.02Å; S539-S543 PolarHBondContact O-OG 2.89Å; S539-G777 PolarHBondContact O-N 3.16Å
540T93.3Very high88.9Confident0 Ų028.7 Ų28.70%018%0.179CC..Hα-helixtrans-67.2-38.3174-59.20000112.6L495 F498 D499 F502 L518 K536 L537 S543 A544L495-T540 HydrophobicContact CD2-CG2 4.37Å; F498-T540 HydrophobicContact CB-CG2 3.85Å; D499-T540 WeakPolarHBondContact OD1-CA 3.5Å; D499-T540 PolarHBondContact OD2-OG1 3.43Å; F502-T540 HydrophobicContact CD2-CG2 4.49Å; F502-T540 HydrophobicContact CE2-CG2 3.91Å; L518-T540 HydrophobicContact CD1-CG2 4.37Å; L518-T540 HydrophobicContact CD2-CG2 3.99Å; K536-T540 PolarHBondContact NZ-OG1 3.15Å; K536-T540 PolarHBondContact O-N 2.95Å; K536-T540 PolarHBondContact O-OG1 3.15Å; L537-T540 PolarHBondContact O-N 3.19Å; T540-S543 WeakPolarHBondContact O-CB 3.38Å; T540-S543 PolarHBondContact O-N 3.39Å; T540-A544 PolarHBondContact O-N 3.39Å
541L93.8Very high88.7Confident0 Ų032.9 Ų32.90%020%0.199CC..Hα-helixtrans-67-35.7172.8-73.6170.4000111.9L518 I522 L537 L538 A544 N545 A559 W560 F563L518-L541 HydrophobicContact CD2-CD2 3.89Å; I522-L541 HydrophobicContact CD1-CD1 4.32Å; I522-L541 HydrophobicContact CD1-CD2 4.08Å; I522-L541 HydrophobicContact CD1-CG 4.47Å; L537-L541 WeakPolarHBondContact O-CB 3.37Å; L537-L541 WeakPolarHBondContact O-CG 3.4Å; L537-L541 PolarHBondContact O-N 2.94Å; L538-L541 PolarHBondContact O-N 3.37Å; L541-A544 WeakPolarHBondContact O-CB 3.07Å; L541-A544 PolarHBondContact O-N 3.1Å; L541-N545 PolarHBondContact O-N 3.33Å; L541-N545 PolarHBondContact O-OD1 2.99Å; L541-A559 HydrophobicContact CD2-CB 3.76Å; L541-W560 HydrophobicContact CB-CD2 4.35Å; L541-W560 HydrophobicContact CB-CH2 3.86Å; L541-W560 HydrophobicContact CB-CZ2 3.45Å; L541-W560 VanDerWaalsContact CB-CZ2 3.45Å; L541-W560 HydrophobicContact CB-CZ3 4.43Å; L541-W560 HydrophobicContact CD1-CD2 3.97Å; L541-W560 HydrophobicContact CD1-CE3 3.81Å; L541-W560 HydrophobicContact CD1-CH2 4.21Å; L541-W560 HydrophobicContact CD1-CZ2 4.33Å; L541-W560 HydrophobicContact CD1-CZ3 3.94Å; L541-W560 HydrophobicContact CG-CZ2 4.48Å; L541-F563 HydrophobicContact CD1-CB 3.85Å; L541-F563 HydrophobicContact CD1-CD1 3.91Å; L541-F563 HydrophobicContact CD1-CD2 4.25Å; L541-F563 HydrophobicContact CD1-CG 3.74Å
542R91.2Very high88.8Confident19 Ų1931.4 Ų31.47%0.07219%0.19CC..Hα-helixtrans-61.3-42.9170.4-74.7176169.9151.83.1112.1L538 S539 A544 N545 S546 A582 E660 A774 S775L538-R542 WeakPolarHBondContact O-CG 3.23Å; L538-R542 PolarHBondContact O-N 3.29Å; S539-R542 WeakPolarHBondContact O-CB 3.35Å; S539-R542 PolarHBondContact O-N 2.99Å; R542-A544 VanDerWaalsContact C-N 3.26Å; R542-A544 PolarHBondContact O-N 3.45Å; R542-N545 WeakPolarHBondContact O-CB 3.44Å; R542-N545 PolarHBondContact O-N 3.43Å; R542-S546 PolarHBondContact O-N 3.39Å; R542-S546 VanDerWaalsContact O-N 3.13Å; R542-A582 HydrophobicContact CG-CB 4.26Å; R542-E660 IonicContact CZ-OE2 2.75Å; R542-E660 VanDerWaalsContact CZ-OE2 3.32Å; R542-E660 IonicContact NE-OE1 3.43Å; R542-E660 IonicContact NE-OE2 2.73Å; R542-E660 PolarHBondContact NE-OE2 3.21Å; R542-E660 IonicContact NH2-OE2 3.58Å; R542-E660 PolarHBondContact NH2-OE2 3.2Å; R542-A774 PolarHBondContact NH1-O 3.49Å; R542-S775 WeakPolarHBondContact CB-O 3.44Å
543S90.9Very high89Confident6 Ų629.7 Ų29.74%0.04218%0.179CC..Hα-helixtrans-58.2-40.6173.5-59.30000111.5D499 S539 T540 S546 G777D499-S543 WeakPolarHBondContact OD1-CB 3.38Å; D499-S543 PolarHBondContact OD1-OG 3.46Å; S539-S543 PolarHBondContact O-N 3.02Å; S539-S543 PolarHBondContact O-OG 2.89Å; T540-S543 WeakPolarHBondContact O-CB 3.38Å; T540-S543 PolarHBondContact O-N 3.39Å; S543-S546 PolarHBondContact O-N 3.24Å; S543-S546 PolarHBondContact O-OG 3.44Å; S543-G777 PolarHBondContact OG-N 3.17Å
544A91.9Very high89.1Confident1 Ų135 Ų351%0.00820%0.198CC..Hα-helixtrans-66.3-41.4175.800000112.3F502 I515 T540 L541 R542 S546 I547F502-A544 HydrophobicContact CD2-CB 4.07Å; F502-A544 HydrophobicContact CE2-CB 3.82Å; F502-A544 HydrophobicContact CZ-CB 4.09Å; I515-A544 HydrophobicContact CG1-CB 4.32Å; T540-A544 PolarHBondContact O-N 3.39Å; L541-A544 WeakPolarHBondContact O-CB 3.07Å; L541-A544 PolarHBondContact O-N 3.1Å; R542-A544 VanDerWaalsContact C-N 3.26Å; R542-A544 PolarHBondContact O-N 3.45Å; A544-S546 PolarHBondContact O-N 3.46Å; A544-I547 WeakPolarHBondContact O-CB 3.48Å; A544-I547 WeakPolarHBondContact O-CG1 3.32Å; A544-I547 PolarHBondContact O-N 3.22Å
545N90.1Very high89.2Confident26 Ų2634.6 Ų34.614%0.13920%0.197CC..Hα-helixtrans-60.9-27.6176.4-73.71.6000113.2L541 R542 I547 W560 A582L541-N545 PolarHBondContact O-N 3.33Å; L541-N545 PolarHBondContact O-OD1 2.99Å; R542-N545 WeakPolarHBondContact O-CB 3.44Å; R542-N545 PolarHBondContact O-N 3.43Å; N545-I547 PolarHBondContact O-N 3.21Å; N545-W560 PolarHBondContact ND2-NE1 2.94Å; N545-W560 PolarHBondContact OD1-NE1 3.44Å; N545-A582 PolarHBondContact ND2-O 3.09Å
546S86.2Confident89.5Confident91 Ų9133.3 Ų33.364%0.63619%0.188SC*.THydrogen-bonded Turntrans-69.3-10.9179.377.30000114.2R542 S543 A544 A548R542-S546 PolarHBondContact O-N 3.39Å; R542-S546 VanDerWaalsContact O-N 3.13Å; S543-S546 PolarHBondContact O-N 3.24Å; S543-S546 PolarHBondContact O-OG 3.44Å; A544-S546 PolarHBondContact O-N 3.46Å; S546-A548 PolarHBondContact O-N 3.41Å
547I87.6Confident89.6Confident16 Ų1633.2 Ų33.28%0.08219%0.188CC..  trans-75.3114179.6-59.1166000109.7F502 K511 I515 A544 N545 D549 C552F502-I547 HydrophobicContact CB-CD1 4.1Å; F502-I547 HydrophobicContact CD1-CD1 3.85Å; F502-I547 HydrophobicContact CG-CD1 4.19Å; K511-I547 HydrophobicContact CB-CD1 4.29Å; K511-I547 HydrophobicContact CD-CD1 3.99Å; K511-I547 HydrophobicContact CD-CG1 4.41Å; K511-I547 HydrophobicContact CD-CG2 4.36Å; I515-I547 HydrophobicContact CD1-CD1 4.11Å; A544-I547 WeakPolarHBondContact O-CB 3.48Å; A544-I547 WeakPolarHBondContact O-CG1 3.32Å; A544-I547 PolarHBondContact O-N 3.22Å; N545-I547 PolarHBondContact O-N 3.21Å; I547-D549 HydrophobicContact CG2-CB 4.22Å; I547-D549 PolarHBondContact O-N 3.44Å; I547-C552 HydrophobicContact CB-CB 4.36Å; I547-C552 HydrophobicContact CG2-CB 3.93Å
548A82.7Confident89.7Confident98 Ų9835.1 Ų35.181%0.8120%0.198SC*.  trans-78.461.4-179.800000113S546S546-A548 PolarHBondContact O-N 3.41Å
549D85.8Confident89.9Confident41 Ų4134.6 Ų34.622%0.21920%0.195CC..  trans-137.1140.8175.2176.672.5000111.4L508 I547 E551 C552 R553L508-D549 HydrophobicContact CD1-CB 3.88Å; I547-D549 HydrophobicContact CG2-CB 4.22Å; I547-D549 PolarHBondContact O-N 3.44Å; D549-E551 WeakPolarHBondContact OD2-CA 3.44Å; D549-E551 WeakPolarHBondContact OD2-CB 3.31Å; D549-E551 PolarHBondContact OD2-N 3.46Å; D549-C552 HydrophobicContact CB-CB 4.06Å; D549-C552 PolarHBondContact OD2-N 2.91Å; D549-R553 WeakPolarHBondContact O-CB 3.26Å; D549-R553 VanDerWaalsContact O-CG 3.29Å; D549-R553 WeakPolarHBondContact O-CG 3.48Å; D549-R553 PolarHBondContact O-N 3.21Å
550A83Confident90.1Very high63 Ų6334.6 Ų34.652%0.52120%0.195SC..Hα-helixtrans-68.8-39.5-174.100000113R554A550-R554 PolarHBondContact O-N 3.36Å
551E85.4Confident90.1Very high89 Ų8938.8 Ų38.842%0.41621%0.211SC..Hα-helixtrans-70.9-45.1178.9-175177.8-173.700110.7I512 D549 R553 R554 L555I512-E551 HydrophobicContact CD1-CG 4.38Å; I512-E551 VanDerWaalsContact CD1-OE2 3.28Å; I512-E551 WeakPolarHBondContact CD1-OE2 3.45Å; D549-E551 WeakPolarHBondContact OD2-CA 3.44Å; D549-E551 WeakPolarHBondContact OD2-CB 3.31Å; D549-E551 PolarHBondContact OD2-N 3.46Å; E551-R553 VanDerWaalsContact C-N 3.33Å; E551-R553 PolarHBondContact O-N 2.9Å; E551-R554 PolarHBondContact O-N 3.2Å; E551-L555 HydrophobicContact CG-CD1 4.22Å; E551-L555 WeakPolarHBondContact O-CG 3.3Å; E551-L555 PolarHBondContact O-N 2.9Å
552C90Very high90.2Very high0 Ų040.1 Ų40.10%022%0.22CC..Hα-helixtrans-56.8-45.1174.1-71.50000111.9I515 I547 D549 R554 L555 C556I515-C552 HydrophobicContact CD1-CB 3.57Å; I547-C552 HydrophobicContact CB-CB 4.36Å; I547-C552 HydrophobicContact CG2-CB 3.93Å; D549-C552 HydrophobicContact CB-CB 4.06Å; D549-C552 PolarHBondContact OD2-N 2.91Å; C552-R554 VanDerWaalsContact C-N 3.33Å; C552-R554 PolarHBondContact O-N 3.03Å; C552-L555 PolarHBondContact O-N 3.02Å; C552-C556 WeakPolarHBondContact O-CB 3.28Å; C552-C556 PolarHBondContact O-N 3.4Å; C552-C556 PolarHBondContact O-SG 3.08Å
553R89.9Confident90.4Very high83 Ų8339.3 Ų39.331%0.31322%0.217SC..Hα-helixtrans-61.2-39.8178.3-75.8-170.7-56.9-115.44.5112.8D549 E551 C556 C557 L586 A589D549-R553 WeakPolarHBondContact O-CB 3.26Å; D549-R553 VanDerWaalsContact O-CG 3.29Å; D549-R553 WeakPolarHBondContact O-CG 3.48Å; D549-R553 PolarHBondContact O-N 3.21Å; E551-R553 VanDerWaalsContact C-N 3.33Å; E551-R553 PolarHBondContact O-N 2.9Å; R553-C556 WeakPolarHBondContact O-CB 2.9Å; R553-C556 PolarHBondContact O-N 3.25Å; R553-C557 PolarHBondContact O-N 3.43Å; R553-C557 VanDerWaalsContact O-N 3.09Å; R553-C557 PolarHBondContact O-SG 3.19Å; R553-C557 VanDerWaalsContact O-SG 3.35Å; R553-L586 HydrophobicContact CB-CD2 4.14Å; R553-L586 HydrophobicContact CG-CD2 4.05Å; R553-A589 HydrophobicContact CB-CB 3.73Å; R553-A589 HydrophobicContact CG-CB 4.4Å
554R89.8Confident90.4Very high123 Ų12339.1 Ų39.146%0.46422%0.215SC..Hα-helixtrans-63.2-46.6175.4-174.3178.567.4111.10.4111.7A550 E551 C552 C556 C557 D558A550-R554 PolarHBondContact O-N 3.36Å; E551-R554 PolarHBondContact O-N 3.2Å; C552-R554 VanDerWaalsContact C-N 3.33Å; C552-R554 PolarHBondContact O-N 3.03Å; R554-C556 VanDerWaalsContact C-N 3.28Å; R554-C556 PolarHBondContact O-N 3.41Å; R554-C557 VanDerWaalsContact O-CB 3.3Å; R554-C557 WeakPolarHBondContact O-CB 3.39Å; R554-C557 PolarHBondContact O-N 2.88Å; R554-C557 VanDerWaalsContact O-N 3.08Å; R554-D558 PolarHBondContact O-N 2.87Å
555L91.6Very high90.4Very high25 Ų2541.4 Ų41.413%0.13123%0.229CC..Hα-helixtrans-65-33176.9-67.1170.2000112.2I512 I515 E551 C552 C557 D558 A559I512-L555 HydrophobicContact CB-CD1 4.39Å; I512-L555 HydrophobicContact CG2-CD1 3.72Å; I515-L555 HydrophobicContact CB-CB 4.37Å; I515-L555 HydrophobicContact CG2-CB 3.62Å; E551-L555 HydrophobicContact CG-CD1 4.22Å; E551-L555 WeakPolarHBondContact O-CG 3.3Å; E551-L555 PolarHBondContact O-N 2.9Å; C552-L555 PolarHBondContact O-N 3.02Å; L555-C557 VanDerWaalsContact C-N 3.34Å; L555-D558 PolarHBondContact O-N 3.42Å; L555-A559 PolarHBondContact O-N 2.82Å
556C93.1Very high90.5Very high0 Ų040.8 Ų40.80%023%0.229CC..Hα-helixtrans-61.4-42.6170.9-71.70000111.1C552 R553 R554 D558 A559 W560 L586C552-C556 WeakPolarHBondContact O-CB 3.28Å; C552-C556 PolarHBondContact O-N 3.4Å; C552-C556 PolarHBondContact O-SG 3.08Å; R553-C556 WeakPolarHBondContact O-CB 2.9Å; R553-C556 PolarHBondContact O-N 3.25Å; R554-C556 VanDerWaalsContact C-N 3.28Å; R554-C556 PolarHBondContact O-N 3.41Å; C556-D558 VanDerWaalsContact C-N 3.26Å; C556-D558 PolarHBondContact O-N 3.21Å; C556-A559 PolarHBondContact O-N 3.06Å; C556-A559 VanDerWaalsContact O-N 3.13Å; C556-W560 PolarHBondContact O-N 3.28Å; C556-L586 HydrophobicContact CB-CD1 4.33Å
557C92.6Very high90.8Very high0 Ų037 Ų370%020%0.201CC..Hα-helixtrans-56.8-40175.2-64.40000112.1R553 R554 L555 W560 Y561 Q593R553-C557 PolarHBondContact O-N 3.43Å; R553-C557 VanDerWaalsContact O-N 3.09Å; R553-C557 PolarHBondContact O-SG 3.19Å; R553-C557 VanDerWaalsContact O-SG 3.35Å; R554-C557 VanDerWaalsContact O-CB 3.3Å; R554-C557 WeakPolarHBondContact O-CB 3.39Å; R554-C557 PolarHBondContact O-N 2.88Å; R554-C557 VanDerWaalsContact O-N 3.08Å; L555-C557 VanDerWaalsContact C-N 3.34Å; C557-W560 PolarHBondContact O-N 3.34Å; C557-Y561 PolarHBondContact O-N 3.22Å; C557-Q593 HydrophobicContact CB-CB 4.07Å; C557-Q593 HydrophobicContact CB-CG 3.6Å
558D92.9Very high90.8Very high45 Ų4538 Ų3824%0.24121%0.209CC..Hα-helixtrans-65.5-43.2175.4-65-28.1000112.1R554 L555 C556 W560 Y561 T562 Q593R554-D558 PolarHBondContact O-N 2.87Å; L555-D558 PolarHBondContact O-N 3.42Å; C556-D558 VanDerWaalsContact C-N 3.26Å; C556-D558 PolarHBondContact O-N 3.21Å; D558-W560 VanDerWaalsContact C-N 3.34Å; D558-W560 PolarHBondContact O-N 2.84Å; D558-Y561 PolarHBondContact O-N 2.59Å; D558-T562 PolarHBondContact O-N 2.84Å; D558-T562 PolarHBondContact O-OG1 3.01Å; D558-T562 VanDerWaalsContact O-OG1 3.11Å; D558-Q593 PolarHBondContact OD1-NE2 2.83Å
559A95Very high90.8Very high0 Ų035.8 Ų35.80%019%0.186CC..Hα-helixtrans-62.3-40175.600000112.3N519 I522 L541 L555 C556 T562 F563N519-A559 HydrophobicContact CB-CB 3.95Å; N519-A559 WeakPolarHBondContact OD1-CA 3.25Å; I522-A559 HydrophobicContact CD1-CB 4.43Å; L541-A559 HydrophobicContact CD2-CB 3.76Å; L555-A559 PolarHBondContact O-N 2.82Å; C556-A559 PolarHBondContact O-N 3.06Å; C556-A559 VanDerWaalsContact O-N 3.13Å; A559-T562 PolarHBondContact O-N 2.86Å; A559-F563 WeakPolarHBondContact O-CB 3.16Å; A559-F563 PolarHBondContact O-N 3.49Å
560W94.9Very high90.6Very high0 Ų039.1 Ų39.10%020%0.203CC..Hα-helixtrans-64.1-42174-80.4109.9000112.2L538 L541 N545 C556 C557 D558 F563 V564 I579 A582 I583 L586 I597L538-W560 HydrophobicContact CD1-CH2 3.52Å; L538-W560 HydrophobicContact CD1-CZ3 3.67Å; L541-W560 HydrophobicContact CB-CD2 4.35Å; L541-W560 HydrophobicContact CB-CH2 3.86Å; L541-W560 HydrophobicContact CB-CZ2 3.45Å; L541-W560 VanDerWaalsContact CB-CZ2 3.45Å; L541-W560 HydrophobicContact CB-CZ3 4.43Å; L541-W560 HydrophobicContact CD1-CD2 3.97Å; L541-W560 HydrophobicContact CD1-CE3 3.81Å; L541-W560 HydrophobicContact CD1-CH2 4.21Å; L541-W560 HydrophobicContact CD1-CZ2 4.33Å; L541-W560 HydrophobicContact CD1-CZ3 3.94Å; L541-W560 HydrophobicContact CG-CZ2 4.48Å; N545-W560 PolarHBondContact ND2-NE1 2.94Å; N545-W560 PolarHBondContact OD1-NE1 3.44Å; C556-W560 PolarHBondContact O-N 3.28Å; C557-W560 PolarHBondContact O-N 3.34Å; D558-W560 VanDerWaalsContact C-N 3.34Å; D558-W560 PolarHBondContact O-N 2.84Å; W560-F563 HydrophobicContact CE3-CD1 4.02Å; W560-F563 HydrophobicContact CZ3-CD1 4.02Å; W560-F563 HydrophobicContact CZ3-CE1 4.26Å; W560-F563 PolarHBondContact O-N 3.25Å; W560-V564 WeakPolarHBondContact O-CG2 3.49Å; W560-V564 PolarHBondContact O-N 3.14Å; W560-I579 HydrophobicContact CE3-CG2 4.32Å; W560-I579 HydrophobicContact CZ3-CG2 4.18Å; W560-A582 HydrophobicContact CH2-CB 3.69Å; W560-A582 HydrophobicContact CZ2-CB 3.99Å; W560-I583 HydrophobicContact CB-CD1 4.13Å; W560-I583 HydrophobicContact CB-CG1 4.3Å; W560-I583 HydrophobicContact CD2-CD1 4.01Å; W560-I583 HydrophobicContact CD2-CG1 3.6Å; W560-I583 HydrophobicContact CE3-CD1 3.81Å; W560-I583 HydrophobicContact CE3-CG1 3.75Å; W560-I583 HydrophobicContact CG-CD1 4.17Å; W560-I583 HydrophobicContact CG-CG1 3.86Å; W560-I583 HydrophobicContact CZ3-CG1 4.27Å; W560-L586 VanDerWaalsContact CD1-CD1 3.48Å; W560-I597 HydrophobicContact CB-CD1 3.84Å
561Y94.3Very high90.7Very high88 Ų8836.3 Ų36.335%0.34518%0.18SC..Hα-helixtrans-59.8-47.6175.6179.9-98.2000111.4C557 D558 F563 V564 T565 I597C557-Y561 PolarHBondContact O-N 3.22Å; D558-Y561 PolarHBondContact O-N 2.59Å; Y561-F563 VanDerWaalsContact C-N 3.33Å; Y561-F563 PolarHBondContact O-N 3Å; Y561-V564 PolarHBondContact O-N 2.74Å; Y561-T565 HydrophobicContact CD1-CG2 4.38Å; Y561-T565 HydrophobicContact CD2-CG2 4.31Å; Y561-T565 HydrophobicContact CE1-CG2 4Å; Y561-T565 HydrophobicContact CE2-CG2 3.93Å; Y561-T565 WeakPolarHBondContact O-CB 3.36Å; Y561-T565 VanDerWaalsContact O-CG2 3.29Å; Y561-T565 WeakPolarHBondContact O-CG2 3.45Å; Y561-T565 PolarHBondContact O-N 3.12Å; Y561-T565 PolarHBondContact O-OG1 3.31Å; Y561-I597 HydrophobicContact CD2-CG1 3.99Å; Y561-I597 HydrophobicContact CG-CG1 4.46Å
562T94.7Very high90.8Very high28 Ų2832.1 Ų32.117%0.17216%0.161CC..Hα-helixtrans-63.2-38.3176.3-53.20000112N519 I522 A523 D558 A559 T565 G566N519-T562 WeakPolarHBondContact OD1-CB 3.17Å; N519-T562 PolarHBondContact OD1-OG1 3.38Å; I522-T562 HydrophobicContact CB-CG2 4.28Å; I522-T562 HydrophobicContact CG2-CG2 3.87Å; A523-T562 HydrophobicContact CB-CG2 3.74Å; D558-T562 PolarHBondContact O-N 2.84Å; D558-T562 PolarHBondContact O-OG1 3.01Å; D558-T562 VanDerWaalsContact O-OG1 3.11Å; A559-T562 PolarHBondContact O-N 2.86Å; T562-T565 WeakPolarHBondContact CA-OG1 3.42Å; T562-T565 PolarHBondContact O-OG1 3.33Å; T562-G566 PolarHBondContact O-N 2.97Å
563F95.3Very high90.4Very high3 Ų336.2 Ų36.21%0.01318%0.178CC..Hα-helixtrans-62.8-50.4176.4179.9-114.2000111.9I522 L530 K534 L537 L538 L541 A559 W560 Y561 T565 G566 L567 I579I522-F563 HydrophobicContact CD1-CB 4.42Å; I522-F563 HydrophobicContact CG2-CB 4.04Å; I522-F563 HydrophobicContact CG2-CD2 4.37Å; L530-F563 HydrophobicContact CD1-CD2 4.16Å; L530-F563 HydrophobicContact CD1-CE2 4.36Å; L530-F563 HydrophobicContact CD2-CD2 4.21Å; L530-F563 HydrophobicContact CG-CD2 4.36Å; L530-F563 HydrophobicContact CG-CE2 4.33Å; K534-F563 HydrophobicContact CB-CE2 4.5Å; K534-F563 HydrophobicContact CB-CZ 4.28Å; L537-F563 HydrophobicContact CB-CD2 4.28Å; L537-F563 HydrophobicContact CB-CE2 3.74Å; L537-F563 HydrophobicContact CB-CZ 4.42Å; L537-F563 HydrophobicContact CD1-CD2 4.26Å; L537-F563 HydrophobicContact CD1-CE2 4.09Å; L538-F563 HydrophobicContact CD1-CE1 4.39Å; L541-F563 HydrophobicContact CD1-CB 3.85Å; L541-F563 HydrophobicContact CD1-CD1 3.91Å; L541-F563 HydrophobicContact CD1-CD2 4.25Å; L541-F563 HydrophobicContact CD1-CG 3.74Å; A559-F563 WeakPolarHBondContact O-CB 3.16Å; A559-F563 PolarHBondContact O-N 3.49Å; W560-F563 HydrophobicContact CE3-CD1 4.02Å; W560-F563 HydrophobicContact CZ3-CD1 4.02Å; W560-F563 HydrophobicContact CZ3-CE1 4.26Å; W560-F563 PolarHBondContact O-N 3.25Å; Y561-F563 VanDerWaalsContact C-N 3.33Å; Y561-F563 PolarHBondContact O-N 3Å; F563-T565 PolarHBondContact O-N 3.32Å; F563-G566 PolarHBondContact O-N 2.84Å; F563-L567 HydrophobicContact CD1-CD1 4.29Å; F563-L567 HydrophobicContact CE1-CD1 3.88Å; F563-L567 HydrophobicContact CE2-CD1 4.31Å; F563-L567 HydrophobicContact CE2-CD2 4.31Å; F563-L567 HydrophobicContact CE2-CG 4.42Å; F563-L567 HydrophobicContact CZ-CD1 3.89Å; F563-L567 HydrophobicContact CZ-CD2 4.44Å; F563-L567 HydrophobicContact CZ-CG 4.47Å; F563-L567 WeakPolarHBondContact O-CG 3.5Å; F563-L567 PolarHBondContact O-N 3.29Å; F563-I579 HydrophobicContact CE1-CD1 4.03Å; F563-I579 HydrophobicContact CE1-CG1 4.23Å
564V92.6Very high89.8Confident1 Ų137.6 Ų37.61%0.00619%0.192CC..Hα-helixtrans-65.5-39.6-178.7173.60000111.7W560 Y561 L572 I579 I597 F600 I601W560-V564 WeakPolarHBondContact O-CG2 3.49Å; W560-V564 PolarHBondContact O-N 3.14Å; Y561-V564 PolarHBondContact O-N 2.74Å; V564-L572 HydrophobicContact CG1-CD1 4.34Å; V564-L572 HydrophobicContact CG1-CD2 4.49Å; V564-I579 HydrophobicContact CG2-CG2 3.74Å; V564-I597 HydrophobicContact CB-CG2 4.3Å; V564-I597 HydrophobicContact CG1-CG2 4.37Å; V564-I597 HydrophobicContact CG2-CG2 3.98Å; V564-F600 HydrophobicContact CG1-CD1 3.74Å; V564-F600 HydrophobicContact CG1-CE1 4.06Å; V564-I601 HydrophobicContact CG1-CD1 4.07Å; V564-I601 HydrophobicContact CG1-CG1 3.69Å
565T91.9Very high89.3Confident49 Ų4934.1 Ų34.130%0.30118%0.181SC..Hα-helixtrans-75.1-27.3179.2540000113.2Y561 T562 F563 F600Y561-T565 HydrophobicContact CD1-CG2 4.38Å; Y561-T565 HydrophobicContact CD2-CG2 4.31Å; Y561-T565 HydrophobicContact CE1-CG2 4Å; Y561-T565 HydrophobicContact CE2-CG2 3.93Å; Y561-T565 WeakPolarHBondContact O-CB 3.36Å; Y561-T565 VanDerWaalsContact O-CG2 3.29Å; Y561-T565 WeakPolarHBondContact O-CG2 3.45Å; Y561-T565 PolarHBondContact O-N 3.12Å; Y561-T565 PolarHBondContact O-OG1 3.31Å; T562-T565 WeakPolarHBondContact CA-OG1 3.42Å; T562-T565 PolarHBondContact O-OG1 3.33Å; F563-T565 PolarHBondContact O-N 3.32Å; T565-F600 HydrophobicContact CG2-CD1 3.98Å; T565-F600 HydrophobicContact CG2-CD2 3.81Å; T565-F600 HydrophobicContact CG2-CE1 3.97Å; T565-F600 HydrophobicContact CG2-CE2 3.8Å; T565-F600 HydrophobicContact CG2-CG 3.89Å; T565-F600 HydrophobicContact CG2-CZ 3.87Å
566G91.4Very high89.2Confident13 Ų1333 Ų3313%0.13418%0.175CC..Hα-helixtrans-79.9-17.1178.300000115G527 L530 T562 F563G527-G566 PolarHBondContact N-O 3.43Å; L530-G566 WeakPolarHBondContact CD2-O 3.1Å; T562-G566 PolarHBondContact O-N 2.97Å; F563-G566 PolarHBondContact O-N 2.84Å
567L91.6Very high88.9Confident11 Ų1134.5 Ų34.56%0.05818%0.183CC..SBendtrans-76.1146.8-179.4-75.3169.7000112.1L530 K534 F563 A571 L572 I579L530-L567 HydrophobicContact CB-CD2 4.5Å; L530-L567 HydrophobicContact CD2-CB 4.48Å; L530-L567 HydrophobicContact CD2-CD2 3.82Å; L530-L567 HydrophobicContact CD2-CG 3.83Å; L530-L567 HydrophobicContact CG-CD2 3.91Å; L530-L567 HydrophobicContact CG-CG 4.45Å; K534-L567 HydrophobicContact CB-CD2 3.91Å; F563-L567 HydrophobicContact CD1-CD1 4.29Å; F563-L567 HydrophobicContact CE1-CD1 3.88Å; F563-L567 HydrophobicContact CE2-CD1 4.31Å; F563-L567 HydrophobicContact CE2-CD2 4.31Å; F563-L567 HydrophobicContact CE2-CG 4.42Å; F563-L567 HydrophobicContact CZ-CD1 3.89Å; F563-L567 HydrophobicContact CZ-CD2 4.44Å; F563-L567 HydrophobicContact CZ-CG 4.47Å; F563-L567 WeakPolarHBondContact O-CG 3.5Å; F563-L567 PolarHBondContact O-N 3.29Å; L567-A571 HydrophobicContact CD2-CB 4.27Å; L567-L572 HydrophobicContact CB-CB 4.39Å; L567-L572 HydrophobicContact CD1-CD1 4.38Å; L567-I579 HydrophobicContact CD1-CD1 4.06Å
568T88.2Confident88.6Confident39 Ų3936 Ų3624%0.23919%0.191CC..  trans-69.8155.2170.366.10000111.2D531 D570 A571 L572D531-T568 VanDerWaalsContact CG-OG1 3.24Å; D531-T568 PolarHBondContact OD1-N 3.49Å; D531-T568 VanDerWaalsContact OD1-N 3.12Å; D531-T568 PolarHBondContact OD1-OG1 2.65Å; D531-T568 VanDerWaalsContact OD2-CB 3.25Å; D531-T568 WeakPolarHBondContact OD2-CB 3.48Å; D531-T568 WeakPolarHBondContact OD2-CG2 3.28Å; D531-T568 PolarHBondContact OD2-OG1 3.36Å; T568-D570 VanDerWaalsContact C-N 3.31Å; T568-D570 PolarHBondContact O-N 3.32Å; T568-A571 PolarHBondContact O-N 3.07Å; T568-A571 WeakPolarHBondContact OG1-CB 3.4Å; T568-A571 PolarHBondContact OG1-N 3.23Å; T568-L572 PolarHBondContact O-N 3.19Å
569P82.8Confident88.4Confident51 Ų5133.9 Ų33.933%0.33118%0.18SC..Hα-helixtrans-48.7-48.6177.6-2.3-8.7000113.8L572 K573 K605 L608P569-L572 PolarHBondContact O-N 3.16Å; P569-K573 PolarHBondContact O-N 3.35Å; P569-K573 VanDerWaalsContact O-N 3.09Å; P569-K605 HydrophobicContact CB-CD 3.91Å; P569-K605 VanDerWaalsContact CG-NZ 3.33Å; P569-L608 HydrophobicContact CB-CD2 3.46Å; P569-L608 VanDerWaalsContact CB-CD2 3.46Å; P569-L608 WeakPolarHBondContact O-CD2 3.37Å
570D82.6Confident88.2Confident110 Ų11034.1 Ų34.159%0.58818%0.182SC*.Hα-helixtrans-66.5-42.7-177.2-59.8-44.8000111.4T568 L572 K573T568-D570 VanDerWaalsContact C-N 3.31Å; T568-D570 PolarHBondContact O-N 3.32Å; D570-L572 VanDerWaalsContact C-N 3.3Å; D570-L572 PolarHBondContact O-N 2.66Å; D570-K573 WeakPolarHBondContact O-CB 3.26Å; D570-K573 PolarHBondContact O-N 2.88Å
571A83.9Confident87.9Confident4 Ų434.3 Ų34.33%0.03318%0.183CC..Hα-helixtrans-64.7-34.917800000112.9D531 K534 L567 T568 F575D531-A571 HydrophobicContact CB-CB 4.01Å; D531-A571 VanDerWaalsContact CG-CB 3.42Å; D531-A571 WeakPolarHBondContact OD1-CB 3.38Å; K534-A571 HydrophobicContact CD-CB 3.98Å; L567-A571 HydrophobicContact CD2-CB 4.27Å; T568-A571 PolarHBondContact O-N 3.07Å; T568-A571 WeakPolarHBondContact OG1-CB 3.4Å; T568-A571 PolarHBondContact OG1-N 3.23Å; A571-F575 WeakPolarHBondContact O-CD2 3.37Å
572L86.9Confident87.7Confident1 Ų130.1 Ų30.11%0.00517%0.167CC..Hα-helixtrans-68.9-38.8175.4179.659.4000111.7V564 L567 T568 P569 D570 D574 F575 V576 I579 K605V564-L572 HydrophobicContact CG1-CD1 4.34Å; V564-L572 HydrophobicContact CG1-CD2 4.49Å; L567-L572 HydrophobicContact CB-CB 4.39Å; L567-L572 HydrophobicContact CD1-CD1 4.38Å; T568-L572 PolarHBondContact O-N 3.19Å; P569-L572 PolarHBondContact O-N 3.16Å; D570-L572 VanDerWaalsContact C-N 3.3Å; D570-L572 PolarHBondContact O-N 2.66Å; L572-D574 VanDerWaalsContact C-N 3.31Å; L572-D574 PolarHBondContact O-N 3.3Å; L572-F575 PolarHBondContact O-N 3.42Å; L572-V576 HydrophobicContact CD1-CB 4.31Å; L572-V576 HydrophobicContact CD1-CG2 4.28Å; L572-V576 WeakPolarHBondContact O-CB 2.98Å; L572-V576 PolarHBondContact O-N 3.43Å; L572-I579 HydrophobicContact CD1-CD1 3.77Å; L572-K605 HydrophobicContact CD2-CG 3.99Å
573K83.1Confident87.4Confident86 Ų8629 Ų2937%0.37416%0.16SC..Hα-helixtrans-55.2-45.4179.9-176.9-178.4-174.9179.20112.9P569 D570 F575 L608 L609P569-K573 PolarHBondContact O-N 3.35Å; P569-K573 VanDerWaalsContact O-N 3.09Å; D570-K573 WeakPolarHBondContact O-CB 3.26Å; D570-K573 PolarHBondContact O-N 2.88Å; K573-F575 PolarHBondContact O-N 2.88Å; K573-L608 HydrophobicContact CB-CD2 4.19Å; K573-L608 HydrophobicContact CB-CG 4.26Å; K573-L608 HydrophobicContact CD-CD1 3.97Å; K573-L608 HydrophobicContact CD-CG 4.02Å; K573-L608 HydrophobicContact CG-CG 4.45Å; K573-L609 VanDerWaalsContact CA-CD2 3.41Å; K573-L609 HydrophobicContact CB-CD2 3.67Å; K573-L609 HydrophobicContact CG-CD2 3.8Å
574D77.1Confident87.1Confident113 Ų11331.6 Ų31.660%0.60417%0.169SC*.Hα-helixtrans-65.4-24.2-176.7-63.8-22.3000113.5K534 L572K534-D574 IonicContact NZ-OD2 3.09Å; L572-D574 VanDerWaalsContact C-N 3.31Å; L572-D574 PolarHBondContact O-N 3.3Å
575F79.6Confident86.7Confident50 Ų5035.1 Ų35.122%0.21919%0.192CC..Hα-helixtrans-126.40.5-168.3-65.5-88.5000114.8K534 A571 L572 K573 L577 T578 I579K534-F575 HydrophobicContact CD-CD2 3.99Å; K534-F575 HydrophobicContact CD-CE2 3.92Å; K534-F575 HydrophobicContact CG-CE2 4.48Å; A571-F575 WeakPolarHBondContact O-CD2 3.37Å; L572-F575 PolarHBondContact O-N 3.42Å; K573-F575 PolarHBondContact O-N 2.88Å; F575-L577 VanDerWaalsContact C-N 3.28Å; F575-L577 PolarHBondContact O-N 3.03Å; F575-T578 WeakPolarHBondContact O-CA 3.27Å; F575-T578 WeakPolarHBondContact O-CB 3.48Å; F575-T578 PolarHBondContact O-N 3.41Å; F575-I579 HydrophobicContact CB-CD1 4.22Å; F575-I579 HydrophobicContact CB-CG1 4.43Å; F575-I579 WeakPolarHBondContact O-CG1 3.4Å; F575-I579 PolarHBondContact O-N 3.04Å
576V87.8Confident86.5Confident1 Ų132.9 Ų32.91%0.00618%0.178CC..Hα-helixtrans-57.5-38.4-171.470.30000113.1L572 I579 F580 I601 L609 E612 I616L572-V576 HydrophobicContact CD1-CB 4.31Å; L572-V576 HydrophobicContact CD1-CG2 4.28Å; L572-V576 WeakPolarHBondContact O-CB 2.98Å; L572-V576 PolarHBondContact O-N 3.43Å; V576-I579 PolarHBondContact O-N 3.33Å; V576-F580 WeakPolarHBondContact O-CB 3.26Å; V576-F580 PolarHBondContact O-N 2.9Å; V576-I601 HydrophobicContact CG2-CD1 4.32Å; V576-I601 HydrophobicContact CG2-CG2 3.66Å; V576-L609 HydrophobicContact CG1-CD2 4.33Å; V576-L609 HydrophobicContact CG2-CD1 4.18Å; V576-E612 HydrophobicContact CG1-CB 3.44Å; V576-E612 VanDerWaalsContact CG1-CB 3.44Å; V576-E612 HydrophobicContact CG1-CG 3.81Å; V576-I616 HydrophobicContact CG2-CD1 3.94Å
577L87.1Confident86.1Confident32 Ų3232.9 Ų32.917%0.16818%0.176CC..Hα-helixtrans-68-38.4176.7-72.6173.3000112.4F575 F580 A581 E612 D615 I616 L653 I661F575-L577 VanDerWaalsContact C-N 3.28Å; F575-L577 PolarHBondContact O-N 3.03Å; L577-F580 PolarHBondContact O-N 3.36Å; L577-A581 WeakPolarHBondContact O-CB 3.3Å; L577-A581 PolarHBondContact O-N 3.31Å; L577-E612 HydrophobicContact CD1-CG 4.46Å; L577-E612 HydrophobicContact CG-CB 4.35Å; L577-D615 HydrophobicContact CD1-CB 4.25Å; L577-D615 HydrophobicContact CD2-CB 3.61Å; L577-I616 HydrophobicContact CD2-CD1 4.41Å; L577-I616 HydrophobicContact CD2-CG1 3.71Å; L577-L653 HydrophobicContact CD1-CD2 4.32Å; L577-I661 HydrophobicContact CB-CD1 4.15Å
578T86.8Confident85.4Confident30 Ų3041.3 Ų41.318%0.18422%0.215CC..Hα-helixtrans-67.5-41.2176.3-51.20000110.9L538 F575 A581 A582L538-T578 HydrophobicContact CD2-CG2 3.78Å; F575-T578 WeakPolarHBondContact O-CA 3.27Å; F575-T578 WeakPolarHBondContact O-CB 3.48Å; F575-T578 PolarHBondContact O-N 3.41Å; T578-A581 PolarHBondContact O-N 3.07Å; T578-A582 WeakPolarHBondContact O-CB 3.33Å; T578-A582 PolarHBondContact O-N 3.27Å
579I89.9Confident84.9Confident1 Ų141.4 Ų41.41%0.00522%0.22CC..Hα-helixtrans-61.4-48.2174.1-69.6168.1000110.1L538 W560 F563 V564 L567 L572 F575 V576 A581 A582 I583L538-I579 HydrophobicContact CD1-CG1 4.02Å; W560-I579 HydrophobicContact CE3-CG2 4.32Å; W560-I579 HydrophobicContact CZ3-CG2 4.18Å; F563-I579 HydrophobicContact CE1-CD1 4.03Å; F563-I579 HydrophobicContact CE1-CG1 4.23Å; V564-I579 HydrophobicContact CG2-CG2 3.74Å; L567-I579 HydrophobicContact CD1-CD1 4.06Å; L572-I579 HydrophobicContact CD1-CD1 3.77Å; F575-I579 HydrophobicContact CB-CD1 4.22Å; F575-I579 HydrophobicContact CB-CG1 4.43Å; F575-I579 WeakPolarHBondContact O-CG1 3.4Å; F575-I579 PolarHBondContact O-N 3.04Å; V576-I579 PolarHBondContact O-N 3.33Å; I579-A581 VanDerWaalsContact C-N 3.33Å; I579-A581 PolarHBondContact O-N 3.13Å; I579-A582 PolarHBondContact O-N 3.17Å; I579-I583 HydrophobicContact CG2-CD1 3.56Å; I579-I583 HydrophobicContact CG2-CG1 4.39Å; I579-I583 VanDerWaalsContact O-CG1 3.3Å; I579-I583 WeakPolarHBondContact O-CG1 3.29Å; I579-I583 PolarHBondContact O-N 3.27Å
580F89.8Confident84.8Confident6 Ų640.7 Ų40.73%0.02621%0.213CC..Hα-helixtrans-56.6-47.7177172.6-104.5000111.7V576 L577 A582 I583 W584 L598 I616 L619 I620 L664V576-F580 WeakPolarHBondContact O-CB 3.26Å; V576-F580 PolarHBondContact O-N 2.9Å; L577-F580 PolarHBondContact O-N 3.36Å; F580-A582 VanDerWaalsContact C-N 3.31Å; F580-A582 PolarHBondContact O-N 3.19Å; F580-I583 PolarHBondContact O-N 2.54Å; F580-W584 HydrophobicContact CE1-CE3 4.21Å; F580-W584 AromaticContact CE2-CE3 3.74Å; F580-W584 HydrophobicContact CE2-CE3 3.74Å; F580-W584 AromaticContact CE2-CZ3 3.85Å; F580-W584 HydrophobicContact CE2-CZ3 3.85Å; F580-W584 HydrophobicContact CZ-CD2 4.43Å; F580-W584 AromaticContact CZ-CE3 3.42Å; F580-W584 HydrophobicContact CZ-CE3 3.42Å; F580-W584 VanDerWaalsContact CZ-CE3 3.42Å; F580-W584 HydrophobicContact CZ-CH2 4.48Å; F580-W584 AromaticContact CZ-CZ3 3.47Å; F580-W584 HydrophobicContact CZ-CZ3 3.47Å; F580-W584 VanDerWaalsContact CZ-CZ3 3.47Å; F580-W584 PolarHBondContact O-N 2.99Å; F580-L598 HydrophobicContact CD2-CD2 3.78Å; F580-L598 HydrophobicContact CE2-CD2 4.06Å; F580-I616 HydrophobicContact CB-CD1 4.19Å; F580-I616 HydrophobicContact CB-CG1 4.19Å; F580-I616 HydrophobicContact CD1-CG1 4.24Å; F580-I616 HydrophobicContact CD2-CG1 4.4Å; F580-I616 HydrophobicContact CD2-CG2 3.77Å; F580-I616 HydrophobicContact CE2-CG2 3.74Å; F580-I616 HydrophobicContact CG-CD1 4.42Å; F580-I616 HydrophobicContact CG-CG1 4.01Å; F580-I616 HydrophobicContact CG-CG2 4.18Å; F580-I616 HydrophobicContact CZ-CG2 4.13Å; F580-L619 HydrophobicContact CD1-CD1 4.17Å; F580-L619 HydrophobicContact CE1-CB 3.84Å; F580-L619 HydrophobicContact CE1-CD1 3.78Å; F580-L619 HydrophobicContact CE1-CG 4.48Å; F580-L619 HydrophobicContact CZ-CB 4.29Å; F580-I620 HydrophobicContact CE2-CD1 3.97Å; F580-I620 HydrophobicContact CE2-CG1 3.78Å; F580-I620 HydrophobicContact CZ-CD1 4.34Å; F580-I620 HydrophobicContact CZ-CG1 3.67Å; F580-L664 HydrophobicContact CD1-CD1 4.23Å; F580-L664 HydrophobicContact CE1-CD1 3.93Å
581A88.6Confident84.8Confident3 Ų338.2 Ų38.23%0.02520%0.199CC..Hα-helixtrans-64.1-35.5179.900000112.9L577 T578 I579 E660 I661 L664L577-A581 WeakPolarHBondContact O-CB 3.3Å; L577-A581 PolarHBondContact O-N 3.31Å; T578-A581 PolarHBondContact O-N 3.07Å; I579-A581 VanDerWaalsContact C-N 3.33Å; I579-A581 PolarHBondContact O-N 3.13Å; A581-E660 HydrophobicContact CB-CB 3.66Å; A581-I661 HydrophobicContact CB-CG1 3.68Å; A581-L664 HydrophobicContact CB-CD1 3.94Å
582A89Confident84.9Confident1 Ų141.9 Ų41.91%0.00822%0.223CC..Hα-helixtrans-74.3-28.7177.200000113.6R542 N545 W560 T578 I579 F580 P585R542-A582 HydrophobicContact CG-CB 4.26Å; N545-A582 PolarHBondContact ND2-O 3.09Å; W560-A582 HydrophobicContact CH2-CB 3.69Å; W560-A582 HydrophobicContact CZ2-CB 3.99Å; T578-A582 WeakPolarHBondContact O-CB 3.33Å; T578-A582 PolarHBondContact O-N 3.27Å; I579-A582 PolarHBondContact O-N 3.17Å; F580-A582 VanDerWaalsContact C-N 3.31Å; F580-A582 PolarHBondContact O-N 3.19Å; A582-P585 WeakPolarHBondContact O-CD 3.41Å
583I90.4Very high84.8Confident5 Ų542.9 Ų42.93%0.02623%0.227CC..Hα-helixtrans-82.1-25.6176.5-66.9170.4000111.4W560 I579 F580 P585 L586 V594 I597W560-I583 HydrophobicContact CB-CD1 4.13Å; W560-I583 HydrophobicContact CB-CG1 4.3Å; W560-I583 HydrophobicContact CD2-CD1 4.01Å; W560-I583 HydrophobicContact CD2-CG1 3.6Å; W560-I583 HydrophobicContact CE3-CD1 3.81Å; W560-I583 HydrophobicContact CE3-CG1 3.75Å; W560-I583 HydrophobicContact CG-CD1 4.17Å; W560-I583 HydrophobicContact CG-CG1 3.86Å; W560-I583 HydrophobicContact CZ3-CG1 4.27Å; I579-I583 HydrophobicContact CG2-CD1 3.56Å; I579-I583 HydrophobicContact CG2-CG1 4.39Å; I579-I583 VanDerWaalsContact O-CG1 3.3Å; I579-I583 WeakPolarHBondContact O-CG1 3.29Å; I579-I583 PolarHBondContact O-N 3.27Å; F580-I583 PolarHBondContact O-N 2.54Å; I583-P585 VanDerWaalsContact C-N 3.33Å; I583-P585 VanDerWaalsContact O-N 3.15Å; I583-L586 WeakPolarHBondContact O-CA 3.45Å; I583-L586 VanDerWaalsContact O-CB 3.28Å; I583-L586 WeakPolarHBondContact O-CB 3.4Å; I583-L586 PolarHBondContact O-N 2.94Å; I583-V594 HydrophobicContact CG2-CG1 3.85Å; I583-V594 HydrophobicContact CG2-CG2 4.08Å; I583-I597 HydrophobicContact CD1-CD1 4.29Å; I583-I597 HydrophobicContact CD1-CG2 3.93Å; I583-I597 HydrophobicContact CG2-CD1 4.49Å
584W88.4Confident85Confident57 Ų5738.9 Ų38.922%0.21621%0.21CC..G310 helixtrans-49.3-42-176.2-169-98.9000115.4F580 L586 V587 I620 C623 L664F580-W584 HydrophobicContact CE1-CE3 4.21Å; F580-W584 AromaticContact CE2-CE3 3.74Å; F580-W584 HydrophobicContact CE2-CE3 3.74Å; F580-W584 AromaticContact CE2-CZ3 3.85Å; F580-W584 HydrophobicContact CE2-CZ3 3.85Å; F580-W584 HydrophobicContact CZ-CD2 4.43Å; F580-W584 AromaticContact CZ-CE3 3.42Å; F580-W584 HydrophobicContact CZ-CE3 3.42Å; F580-W584 VanDerWaalsContact CZ-CE3 3.42Å; F580-W584 HydrophobicContact CZ-CH2 4.48Å; F580-W584 AromaticContact CZ-CZ3 3.47Å; F580-W584 HydrophobicContact CZ-CZ3 3.47Å; F580-W584 VanDerWaalsContact CZ-CZ3 3.47Å; F580-W584 PolarHBondContact O-N 2.99Å; W584-L586 PolarHBondContact O-N 3.42Å; W584-L586 VanDerWaalsContact O-N 3.16Å; W584-V587 HydrophobicContact CD2-CG2 4.27Å; W584-V587 HydrophobicContact CE3-CG2 3.97Å; W584-V587 HydrophobicContact CZ3-CG2 4.34Å; W584-V587 VanDerWaalsContact O-CB 3.3Å; W584-V587 WeakPolarHBondContact O-CB 3.38Å; W584-V587 WeakPolarHBondContact O-CG2 3.16Å; W584-V587 PolarHBondContact O-N 3.11Å; W584-V587 VanDerWaalsContact O-N 3.1Å; W584-I620 HydrophobicContact CZ3-CG1 4.14Å; W584-C623 HydrophobicContact CH2-CB 3.89Å; W584-C623 HydrophobicContact CZ2-CB 4.35Å; W584-L664 HydrophobicContact CB-CD1 4.21Å; W584-L664 HydrophobicContact CB-CD2 4.39Å; W584-L664 HydrophobicContact CD2-CD2 3.92Å; W584-L664 HydrophobicContact CG-CD1 4.23Å; W584-L664 HydrophobicContact CG-CD2 3.64Å
585P84.8Confident85.5Confident75 Ų7534 Ų3449%0.48719%0.186SC..G310 helixtrans-62.4-20.4176.3-22.835.5000114.5A582 I583 V587A582-P585 WeakPolarHBondContact O-CD 3.41Å; I583-P585 VanDerWaalsContact C-N 3.33Å; I583-P585 VanDerWaalsContact O-N 3.15Å; P585-V587 VanDerWaalsContact C-N 3.32Å
586L86.4Confident85.8Confident1 Ų136.6 Ų36.61%0.00520%0.197CC..G310 helixtrans-82.4-9.5178.2-58.4177.1000113.2R553 C556 W560 I583 W584 E588 A589 D590 V594R553-L586 HydrophobicContact CB-CD2 4.14Å; R553-L586 HydrophobicContact CG-CD2 4.05Å; C556-L586 HydrophobicContact CB-CD1 4.33Å; W560-L586 VanDerWaalsContact CD1-CD1 3.48Å; I583-L586 WeakPolarHBondContact O-CA 3.45Å; I583-L586 VanDerWaalsContact O-CB 3.28Å; I583-L586 WeakPolarHBondContact O-CB 3.4Å; I583-L586 PolarHBondContact O-N 2.94Å; W584-L586 PolarHBondContact O-N 3.42Å; W584-L586 VanDerWaalsContact O-N 3.16Å; L586-E588 PolarHBondContact O-N 2.89Å; L586-A589 WeakPolarHBondContact O-CB 3.27Å; L586-A589 PolarHBondContact O-N 3.03Å; L586-D590 PolarHBondContact O-N 3.27Å; L586-V594 HydrophobicContact CB-CG2 4.19Å
587V83.3Confident85.9Confident13 Ų1336.6 Ų36.68%0.07920%0.197CC..THydrogen-bonded Turntrans-54.8-42.1179.1167.60000111.2W584 P585 A589 I591 V594 L628W584-V587 HydrophobicContact CD2-CG2 4.27Å; W584-V587 HydrophobicContact CE3-CG2 3.97Å; W584-V587 HydrophobicContact CZ3-CG2 4.34Å; W584-V587 VanDerWaalsContact O-CB 3.3Å; W584-V587 WeakPolarHBondContact O-CB 3.38Å; W584-V587 WeakPolarHBondContact O-CG2 3.16Å; W584-V587 PolarHBondContact O-N 3.11Å; W584-V587 VanDerWaalsContact O-N 3.1Å; P585-V587 VanDerWaalsContact C-N 3.32Å; V587-A589 PolarHBondContact O-N 3.08Å; V587-I591 HydrophobicContact CG1-CG1 4.46Å; V587-I591 WeakPolarHBondContact O-CG1 3.47Å; V587-I591 PolarHBondContact O-N 3.19Å; V587-V594 HydrophobicContact CG2-CG1 3.95Å; V587-L628 HydrophobicContact CB-CD1 4.37Å; V587-L628 HydrophobicContact CG1-CD1 3.47Å; V587-L628 VanDerWaalsContact CG1-CD1 3.47Å; V587-L628 HydrophobicContact CG2-CD1 3.92Å
588E76.3Confident85.9Confident188 Ų18835.3 Ų35.388%0.87919%0.19SC*.THydrogen-bonded Turntrans-69.5-21.2179.4-64.5-175.6170.800113.2L586L586-E588 PolarHBondContact O-N 2.89Å
589A77.3Confident85.8Confident42 Ų4236.7 Ų36.735%0.34719%0.194SC..THydrogen-bonded Turntrans-86.4-44.4-175.300000113.1R553 L586 V587R553-A589 HydrophobicContact CB-CB 3.73Å; R553-A589 HydrophobicContact CG-CB 4.4Å; L586-A589 WeakPolarHBondContact O-CB 3.27Å; L586-A589 PolarHBondContact O-N 3.03Å; V587-A589 PolarHBondContact O-N 3.08Å
590D81.3Confident85.5Confident35 Ų3539.1 Ų39.119%0.18721%0.205CC..  trans-150.879.8-179.5-167.7-24.9000110.5L586 P592 Q593 V594L586-D590 PolarHBondContact O-N 3.27Å; D590-P592 VanDerWaalsContact OD1-CD 3.22Å; D590-P592 WeakPolarHBondContact OD1-CD 3.47Å; D590-Q593 HydrophobicContact CB-CB 4.16Å; D590-Q593 VanDerWaalsContact CG-CB 3.4Å; D590-Q593 PolarHBondContact O-N 3.29Å; D590-Q593 WeakPolarHBondContact OD1-CB 3.49Å; D590-Q593 PolarHBondContact OD1-N 2.88Å; D590-Q593 WeakPolarHBondContact OD2-CB 3.25Å; D590-V594 WeakPolarHBondContact O-CG2 3.42Å; D590-V594 PolarHBondContact O-N 3.42Å
591I84.1Confident85.3Confident58 Ų5838.9 Ų38.930%0.29720%0.204SC..Hα-helixtrans-52.6-47.9178.1-58.5171.4000111.5V587 Q593 V594 A595 V627 L628V587-I591 HydrophobicContact CG1-CG1 4.46Å; V587-I591 WeakPolarHBondContact O-CG1 3.47Å; V587-I591 PolarHBondContact O-N 3.19Å; I591-Q593 PolarHBondContact O-N 3.14Å; I591-V594 PolarHBondContact O-N 2.93Å; I591-A595 WeakPolarHBondContact O-CB 3.01Å; I591-A595 PolarHBondContact O-N 2.85Å; I591-V627 HydrophobicContact CG2-CB 3.74Å; I591-V627 HydrophobicContact CG2-CG1 3.92Å; I591-V627 HydrophobicContact CG2-CG2 4.31Å; I591-L628 HydrophobicContact CG2-CG 4.33Å
592P85.2Confident84.9Confident82 Ų8239 Ų3953%0.53220%0.204SC..Hα-helixtrans-57.7-45.2179.1-25.934.1000114.1D590 A595 K596D590-P592 VanDerWaalsContact OD1-CD 3.22Å; D590-P592 WeakPolarHBondContact OD1-CD 3.47Å; P592-A595 WeakPolarHBondContact O-CB 3.26Å; P592-A595 PolarHBondContact O-N 3.39Å; P592-K596 PolarHBondContact O-N 2.95Å; P592-K596 VanDerWaalsContact O-N 3.15Å
593Q85.3Confident84.3Confident21 Ų2146.3 Ų46.310%0.09823%0.231CC..Hα-helixtrans-71.5-39.7-177.5-168.466.3-6.600111.7C557 D558 D590 I591 A595 K596 I597C557-Q593 HydrophobicContact CB-CB 4.07Å; C557-Q593 HydrophobicContact CB-CG 3.6Å; D558-Q593 PolarHBondContact OD1-NE2 2.83Å; D590-Q593 HydrophobicContact CB-CB 4.16Å; D590-Q593 VanDerWaalsContact CG-CB 3.4Å; D590-Q593 PolarHBondContact O-N 3.29Å; D590-Q593 WeakPolarHBondContact OD1-CB 3.49Å; D590-Q593 PolarHBondContact OD1-N 2.88Å; D590-Q593 WeakPolarHBondContact OD2-CB 3.25Å; I591-Q593 PolarHBondContact O-N 3.14Å; Q593-A595 VanDerWaalsContact C-N 3.27Å; Q593-A595 PolarHBondContact O-N 2.91Å; Q593-K596 WeakPolarHBondContact O-CB 3.4Å; Q593-K596 PolarHBondContact O-N 3.2Å; Q593-K596 VanDerWaalsContact O-N 3.14Å; Q593-I597 PolarHBondContact O-N 2.89Å
594V86.9Confident83.4Confident3 Ų348.6 Ų48.62%0.01825%0.251CS..Hα-helixtrans-60.8-39.9172.6175.50000110.9I583 L586 V587 D590 I591 K596 I597 L598 L628I583-V594 HydrophobicContact CG2-CG1 3.85Å; I583-V594 HydrophobicContact CG2-CG2 4.08Å; L586-V594 HydrophobicContact CB-CG2 4.19Å; V587-V594 HydrophobicContact CG2-CG1 3.95Å; D590-V594 WeakPolarHBondContact O-CG2 3.42Å; D590-V594 PolarHBondContact O-N 3.42Å; I591-V594 PolarHBondContact O-N 2.93Å; V594-K596 VanDerWaalsContact C-N 3.3Å; V594-K596 PolarHBondContact O-N 3.35Å; V594-I597 WeakPolarHBondContact O-CB 3.41Å; V594-I597 PolarHBondContact O-N 2.74Å; V594-I597 VanDerWaalsContact O-N 3.14Å; V594-L598 HydrophobicContact CG1-CD1 4.4Å; V594-L598 WeakPolarHBondContact O-CG 3.2Å; V594-L598 PolarHBondContact O-N 3.35Å; V594-L628 HydrophobicContact CG1-CD2 4.42Å
595A86.5Confident82.4Confident10 Ų1048 Ų488%0.08325%0.25CC..Hα-helixtrans-59.9-38.2175.300000112.4I591 P592 Q593 L598 E599 V627 L628I591-A595 WeakPolarHBondContact O-CB 3.01Å; I591-A595 PolarHBondContact O-N 2.85Å; P592-A595 WeakPolarHBondContact O-CB 3.26Å; P592-A595 PolarHBondContact O-N 3.39Å; Q593-A595 VanDerWaalsContact C-N 3.27Å; Q593-A595 PolarHBondContact O-N 2.91Å; A595-L598 PolarHBondContact O-N 3Å; A595-E599 VanDerWaalsContact O-CB 3.32Å; A595-E599 WeakPolarHBondContact O-CB 3.32Å; A595-E599 PolarHBondContact O-N 3.02Å; A595-V627 HydrophobicContact CB-CG1 3.9Å; A595-L628 HydrophobicContact CB-CD2 4.28Å
596K87.4Confident81.7Confident105 Ų10549.6 Ų49.646%0.45725%0.246SC..Hα-helixtrans-64.8-37.7174.2-66.4-175.8-159.21530113.1P592 Q593 V594 E599 F600P592-K596 PolarHBondContact O-N 2.95Å; P592-K596 VanDerWaalsContact O-N 3.15Å; Q593-K596 WeakPolarHBondContact O-CB 3.4Å; Q593-K596 PolarHBondContact O-N 3.2Å; Q593-K596 VanDerWaalsContact O-N 3.14Å; V594-K596 VanDerWaalsContact C-N 3.3Å; V594-K596 PolarHBondContact O-N 3.35Å; K596-E599 WeakPolarHBondContact O-CB 3.47Å; K596-E599 PolarHBondContact O-N 2.66Å; K596-F600 PolarHBondContact O-N 2.9Å
597I88.8Confident80.8Confident0 Ų058.8 Ų58.80%029%0.291CS..Hα-helixtrans-63-47.3175.8-59168.6000109.6W560 Y561 V564 I583 Q593 V594 E599 F600 I601W560-I597 HydrophobicContact CB-CD1 3.84Å; Y561-I597 HydrophobicContact CD2-CG1 3.99Å; Y561-I597 HydrophobicContact CG-CG1 4.46Å; V564-I597 HydrophobicContact CB-CG2 4.3Å; V564-I597 HydrophobicContact CG1-CG2 4.37Å; V564-I597 HydrophobicContact CG2-CG2 3.98Å; I583-I597 HydrophobicContact CD1-CD1 4.29Å; I583-I597 HydrophobicContact CD1-CG2 3.93Å; I583-I597 HydrophobicContact CG2-CD1 4.49Å; Q593-I597 PolarHBondContact O-N 2.89Å; V594-I597 WeakPolarHBondContact O-CB 3.41Å; V594-I597 PolarHBondContact O-N 2.74Å; V594-I597 VanDerWaalsContact O-N 3.14Å; I597-E599 VanDerWaalsContact C-N 3.35Å; I597-E599 PolarHBondContact O-N 2.76Å; I597-F600 PolarHBondContact O-N 3.48Å; I597-I601 HydrophobicContact CG2-CD1 4.07Å; I597-I601 WeakPolarHBondContact O-CG1 3.22Å; I597-I601 PolarHBondContact O-N 3.41Å; I597-I601 VanDerWaalsContact O-N 3.09Å
598L86.6Confident80.3Confident5 Ų560.4 Ų60.43%0.02630%0.299CS..Hα-helixtrans-62.3-43.2176.4-64178.8000111.3F580 V594 A595 F600 I601 F602 I620 L628F580-L598 HydrophobicContact CD2-CD2 3.78Å; F580-L598 HydrophobicContact CE2-CD2 4.06Å; V594-L598 HydrophobicContact CG1-CD1 4.4Å; V594-L598 WeakPolarHBondContact O-CG 3.2Å; V594-L598 PolarHBondContact O-N 3.35Å; A595-L598 PolarHBondContact O-N 3Å; L598-F600 VanDerWaalsContact C-N 3.3Å; L598-F600 PolarHBondContact O-N 3.01Å; L598-I601 WeakPolarHBondContact O-CB 3.43Å; L598-I601 PolarHBondContact O-N 3.08Å; L598-I601 VanDerWaalsContact O-N 3.08Å; L598-F602 HydrophobicContact CB-CD2 4.13Å; L598-F602 HydrophobicContact CB-CE2 4.16Å; L598-F602 WeakPolarHBondContact O-CB 3.29Å; L598-F602 WeakPolarHBondContact O-CD2 3.48Å; L598-F602 PolarHBondContact O-N 3.29Å; L598-I620 HydrophobicContact CD1-CD1 3.9Å; L598-L628 HydrophobicContact CD1-CD2 3.69Å
599E84.9Confident80.3Confident59 Ų5951.4 Ų51.428%0.27626%0.257SS..Hα-helixtrans-54.8-45.4175.8-174.9176.6-175.600112.2A595 K596 I597 F602 R603 W634A595-E599 VanDerWaalsContact O-CB 3.32Å; A595-E599 WeakPolarHBondContact O-CB 3.32Å; A595-E599 PolarHBondContact O-N 3.02Å; K596-E599 WeakPolarHBondContact O-CB 3.47Å; K596-E599 PolarHBondContact O-N 2.66Å; I597-E599 VanDerWaalsContact C-N 3.35Å; I597-E599 PolarHBondContact O-N 2.76Å; E599-F602 PolarHBondContact O-N 3.17Å; E599-R603 HydrophobicContact CG-CG 4.48Å; E599-R603 VanDerWaalsContact O-CB 3.28Å; E599-R603 WeakPolarHBondContact O-CB 3.29Å; E599-R603 PolarHBondContact O-N 3.17Å; E599-R603 IonicContact OE1-CZ 2.77Å; E599-R603 IonicContact OE1-NE 3.44Å; E599-R603 IonicContact OE1-NH1 3.38Å; E599-R603 PolarHBondContact OE1-NH1 2.93Å; E599-R603 IonicContact OE1-NH2 3.36Å; E599-W634 HydrophobicContact CB-CH2 3.48Å; E599-W634 VanDerWaalsContact CB-CH2 3.48Å; E599-W634 HydrophobicContact CB-CZ2 4.49Å; E599-W634 HydrophobicContact CB-CZ3 3.52Å; E599-W634 HydrophobicContact CG-CH2 3.52Å; E599-W634 HydrophobicContact CG-CZ2 4.07Å; E599-W634 HydrophobicContact CG-CZ3 3.79Å
600F84.7Confident80.3Confident53 Ų5353.8 Ų53.823%0.23226%0.264CS..Hα-helixtrans-61.3-46.6174.7179.1-94000111.8V564 T565 K596 I597 L598 F602 R603 A604V564-F600 HydrophobicContact CG1-CD1 3.74Å; V564-F600 HydrophobicContact CG1-CE1 4.06Å; T565-F600 HydrophobicContact CG2-CD1 3.98Å; T565-F600 HydrophobicContact CG2-CD2 3.81Å; T565-F600 HydrophobicContact CG2-CE1 3.97Å; T565-F600 HydrophobicContact CG2-CE2 3.8Å; T565-F600 HydrophobicContact CG2-CG 3.89Å; T565-F600 HydrophobicContact CG2-CZ 3.87Å; K596-F600 PolarHBondContact O-N 2.9Å; I597-F600 PolarHBondContact O-N 3.48Å; L598-F600 VanDerWaalsContact C-N 3.3Å; L598-F600 PolarHBondContact O-N 3.01Å; F600-F602 PolarHBondContact O-N 3.18Å; F600-R603 PolarHBondContact O-N 2.86Å; F600-A604 HydrophobicContact CD2-CB 3.98Å; F600-A604 HydrophobicContact CE1-CB 4.39Å; F600-A604 HydrophobicContact CE2-CB 3.76Å; F600-A604 HydrophobicContact CG-CB 4.4Å; F600-A604 HydrophobicContact CZ-CB 4Å; F600-A604 WeakPolarHBondContact O-CB 3.38Å; F600-A604 PolarHBondContact O-N 3.39Å
601I84.5Confident80.2Confident1 Ų158.6 Ų58.61%0.00528%0.279CS..Hα-helixtrans-60.1-47178.7-67.8168000111.1V564 V576 I597 L598 L609 L613V564-I601 HydrophobicContact CG1-CD1 4.07Å; V564-I601 HydrophobicContact CG1-CG1 3.69Å; V576-I601 HydrophobicContact CG2-CD1 4.32Å; V576-I601 HydrophobicContact CG2-CG2 3.66Å; I597-I601 HydrophobicContact CG2-CD1 4.07Å; I597-I601 WeakPolarHBondContact O-CG1 3.22Å; I597-I601 PolarHBondContact O-N 3.41Å; I597-I601 VanDerWaalsContact O-N 3.09Å; L598-I601 WeakPolarHBondContact O-CB 3.43Å; L598-I601 PolarHBondContact O-N 3.08Å; L598-I601 VanDerWaalsContact O-N 3.08Å; I601-L609 HydrophobicContact CG2-CD1 4.16Å; I601-L613 HydrophobicContact CG2-CD2 3.66Å
602F81.1Confident80.1Confident5 Ų557.5 Ų57.52%0.02227%0.273CS..Hα-helixtrans-70.7-36.9-179.3-79-70.8000113.1L598 E599 F600 R606 L613 I616 I620 W634 L635L598-F602 HydrophobicContact CB-CD2 4.13Å; L598-F602 HydrophobicContact CB-CE2 4.16Å; L598-F602 WeakPolarHBondContact O-CB 3.29Å; L598-F602 WeakPolarHBondContact O-CD2 3.48Å; L598-F602 PolarHBondContact O-N 3.29Å; E599-F602 PolarHBondContact O-N 3.17Å; F600-F602 PolarHBondContact O-N 3.18Å; F602-R606 WeakPolarHBondContact O-CB 3.29Å; F602-L613 HydrophobicContact CD1-CB 4.34Å; F602-L613 HydrophobicContact CD1-CD1 4.32Å; F602-L613 HydrophobicContact CD1-CD2 3.7Å; F602-L613 HydrophobicContact CD1-CG 4.33Å; F602-L613 HydrophobicContact CE1-CB 4.07Å; F602-L613 HydrophobicContact CE1-CD2 3.83Å; F602-L613 HydrophobicContact CE1-CG 4.43Å; F602-L613 HydrophobicContact CG-CD2 4.3Å; F602-I616 HydrophobicContact CE2-CG2 4.14Å; F602-I616 HydrophobicContact CZ-CB 4.3Å; F602-I616 HydrophobicContact CZ-CG2 3.71Å; F602-I620 HydrophobicContact CE2-CD1 4.18Å; F602-I620 HydrophobicContact CZ-CD1 4.28Å; F602-W634 HydrophobicContact CB-CE3 3.93Å; F602-W634 HydrophobicContact CD2-CE3 4.25Å; F602-W634 HydrophobicContact CG-CE3 4.31Å; F602-L635 HydrophobicContact CD1-CD1 4.09Å; F602-L635 HydrophobicContact CD1-CD2 4.45Å; F602-L635 HydrophobicContact CD1-CG 3.96Å; F602-L635 HydrophobicContact CE1-CD1 3.55Å; F602-L635 HydrophobicContact CE1-CG 3.95Å
603R76.2Confident80Confident155 Ų15553.6 Ų53.659%0.58525%0.248SC*.Hα-helixtrans-86.1-52.6-177.9-77.3-171.1170.3154.99.9113.5E599 F600 K605E599-R603 HydrophobicContact CG-CG 4.48Å; E599-R603 VanDerWaalsContact O-CB 3.28Å; E599-R603 WeakPolarHBondContact O-CB 3.29Å; E599-R603 PolarHBondContact O-N 3.17Å; E599-R603 IonicContact OE1-CZ 2.77Å; E599-R603 IonicContact OE1-NE 3.44Å; E599-R603 IonicContact OE1-NH1 3.38Å; E599-R603 PolarHBondContact OE1-NH1 2.93Å; E599-R603 IonicContact OE1-NH2 3.36Å; F600-R603 PolarHBondContact O-N 2.86Å; R603-K605 VanDerWaalsContact C-N 3.31Å; R603-K605 PolarHBondContact O-N 3.3Å
604A70.8Confident79.9Confident52 Ų5256.2 Ų56.243%0.4326%0.26SS..Hα-helixtrans-74-23.8-166.200000112.9F600F600-A604 HydrophobicContact CD2-CB 3.98Å; F600-A604 HydrophobicContact CE1-CB 4.39Å; F600-A604 HydrophobicContact CE2-CB 3.76Å; F600-A604 HydrophobicContact CG-CB 4.4Å; F600-A604 HydrophobicContact CZ-CB 4Å; F600-A604 WeakPolarHBondContact O-CB 3.38Å; F600-A604 PolarHBondContact O-N 3.39Å
605K68.6Low79.9Confident46 Ų4656.1 Ų56.120%0.226%0.26CS..SBendtrans-130.816.3-169-57.4-66.4-178.7-165.90114.2P569 L572 R603 M607 L608 L609P569-K605 HydrophobicContact CB-CD 3.91Å; P569-K605 VanDerWaalsContact CG-NZ 3.33Å; L572-K605 HydrophobicContact CD2-CG 3.99Å; R603-K605 VanDerWaalsContact C-N 3.31Å; R603-K605 PolarHBondContact O-N 3.3Å; K605-M607 VanDerWaalsContact C-N 3.29Å; K605-M607 PolarHBondContact O-N 2.85Å; K605-M607 VanDerWaalsContact O-N 3.15Å; K605-L608 WeakPolarHBondContact O-CB 3.24Å; K605-L608 PolarHBondContact O-N 2.81Å; K605-L609 HydrophobicContact CB-CD1 3.66Å; K605-L609 HydrophobicContact CB-CG 4.01Å; K605-L609 PolarHBondContact O-N 3.21Å
606R69.5Low80Confident108 Ų10855.7 Ų55.741%0.40826%0.256SS..THydrogen-bonded Turntrans-47.7-45.9-177.4-171.3171.6163.1-174.6-13.1114.5F602 L608 L613 W634 P636F602-R606 WeakPolarHBondContact O-CB 3.29Å; R606-L608 PolarHBondContact O-N 3.42Å; R606-L613 HydrophobicContact CB-CD1 4.44Å; R606-L613 HydrophobicContact CG-CD1 4.32Å; R606-W634 PolarHBondContact NH1-O 2.82Å; R606-P636 VanDerWaalsContact NH2-CD 3.29Å
607M68.3Low79.8Confident193 Ų19352.6 Ų52.695%0.95124%0.242SC*.THydrogen-bonded Turntrans-66.6-24.9-178.1-65.6-61.8-14400113.3K605K605-M607 VanDerWaalsContact C-N 3.29Å; K605-M607 PolarHBondContact O-N 2.85Å; K605-M607 VanDerWaalsContact O-N 3.15Å
608L73Confident79.7Confident47 Ų4753 Ų5325%0.24624%0.244CC..THydrogen-bonded Turntrans-90.8-29.3-176.1-174.465.3000112.9P569 K573 K605 R606P569-L608 HydrophobicContact CB-CD2 3.46Å; P569-L608 VanDerWaalsContact CB-CD2 3.46Å; P569-L608 WeakPolarHBondContact O-CD2 3.37Å; K573-L608 HydrophobicContact CB-CD2 4.19Å; K573-L608 HydrophobicContact CB-CG 4.26Å; K573-L608 HydrophobicContact CD-CD1 3.97Å; K573-L608 HydrophobicContact CD-CG 4.02Å; K573-L608 HydrophobicContact CG-CG 4.45Å; K605-L608 WeakPolarHBondContact O-CB 3.24Å; K605-L608 PolarHBondContact O-N 2.81Å; R606-L608 PolarHBondContact O-N 3.42Å
609L75.8Confident79.6Confident0 Ų053 Ų530%024%0.244CC..  trans-112.421.2-166.1-56.2-179.5000113.5K573 V576 I601 K605 R611 E612 L613K573-L609 VanDerWaalsContact CA-CD2 3.41Å; K573-L609 HydrophobicContact CB-CD2 3.67Å; K573-L609 HydrophobicContact CG-CD2 3.8Å; V576-L609 HydrophobicContact CG1-CD2 4.33Å; V576-L609 HydrophobicContact CG2-CD1 4.18Å; I601-L609 HydrophobicContact CG2-CD1 4.16Å; K605-L609 HydrophobicContact CB-CD1 3.66Å; K605-L609 HydrophobicContact CB-CG 4.01Å; K605-L609 PolarHBondContact O-N 3.21Å; L609-R611 VanDerWaalsContact C-N 3.26Å; L609-R611 PolarHBondContact O-N 2.68Å; L609-R611 VanDerWaalsContact O-N 3.1Å; L609-E612 VanDerWaalsContact C-OE2 3.31Å; L609-E612 WeakPolarHBondContact CA-OE2 3.47Å; L609-E612 PolarHBondContact O-N 3.15Å; L609-E612 VanDerWaalsContact O-N 3.07Å; L609-L613 HydrophobicContact CB-CD1 3.94Å; L609-L613 HydrophobicContact CB-CD2 4.27Å; L609-L613 HydrophobicContact CB-CG 3.68Å; L609-L613 HydrophobicContact CD1-CD2 4.41Å; L609-L613 WeakPolarHBondContact O-CB 3.24Å; L609-L613 WeakPolarHBondContact O-CG 3.41Å; L609-L613 PolarHBondContact O-N 3.47Å
610N76.3Confident79.5Confident92 Ų9250.3 Ų50.349%0.49223%0.231SC..Hα-helixtrans-51.8-44.1-166-164.331.7000113.1E614N610-E614 WeakPolarHBondContact O-CG 3.43Å; N610-E614 PolarHBondContact O-N 2.71Å
611R79.5Confident79.1Confident135 Ų13552.1 Ų52.151%0.50924%0.243SC..Hα-helixtrans-71.2-44.4178.7-174.8-173.5-177.9-175.56.6112.7L609 L613 E614 D615L609-R611 VanDerWaalsContact C-N 3.26Å; L609-R611 PolarHBondContact O-N 2.68Å; L609-R611 VanDerWaalsContact O-N 3.1Å; R611-L613 VanDerWaalsContact C-N 3.3Å; R611-L613 PolarHBondContact O-N 3.09Å; R611-E614 WeakPolarHBondContact O-CB 3.37Å; R611-E614 PolarHBondContact O-N 3.28Å; R611-D615 PolarHBondContact O-N 3.02Å; R611-D615 VanDerWaalsContact O-N 3.16Å
612E82.6Confident78.4Confident36 Ų3654.4 Ų54.417%0.16826%0.259CS..Hα-helixtrans-69.2-31.8-178.2-62.173.9-162.800111.5V576 L577 L609 D615 I616V576-E612 HydrophobicContact CG1-CB 3.44Å; V576-E612 VanDerWaalsContact CG1-CB 3.44Å; V576-E612 HydrophobicContact CG1-CG 3.81Å; L577-E612 HydrophobicContact CD1-CG 4.46Å; L577-E612 HydrophobicContact CG-CB 4.35Å; L609-E612 VanDerWaalsContact C-OE2 3.31Å; L609-E612 WeakPolarHBondContact CA-OE2 3.47Å; L609-E612 PolarHBondContact O-N 3.15Å; L609-E612 VanDerWaalsContact O-N 3.07Å; E612-D615 WeakPolarHBondContact O-CB 3.38Å; E612-D615 PolarHBondContact O-N 2.91Å; E612-I616 VanDerWaalsContact O-CG1 3.31Å; E612-I616 WeakPolarHBondContact O-CG1 3.31Å; E612-I616 PolarHBondContact O-N 3.1Å
613L83.2Confident77.8Confident0 Ų055.7 Ų55.70%027%0.268CS..Hα-helixtrans-69.6-34.7173.7-65.9177000112I601 F602 R606 L609 R611 D615 I616 K617 L635I601-L613 HydrophobicContact CG2-CD2 3.66Å; F602-L613 HydrophobicContact CD1-CB 4.34Å; F602-L613 HydrophobicContact CD1-CD1 4.32Å; F602-L613 HydrophobicContact CD1-CD2 3.7Å; F602-L613 HydrophobicContact CD1-CG 4.33Å; F602-L613 HydrophobicContact CE1-CB 4.07Å; F602-L613 HydrophobicContact CE1-CD2 3.83Å; F602-L613 HydrophobicContact CE1-CG 4.43Å; F602-L613 HydrophobicContact CG-CD2 4.3Å; R606-L613 HydrophobicContact CB-CD1 4.44Å; R606-L613 HydrophobicContact CG-CD1 4.32Å; L609-L613 HydrophobicContact CB-CD1 3.94Å; L609-L613 HydrophobicContact CB-CD2 4.27Å; L609-L613 HydrophobicContact CB-CG 3.68Å; L609-L613 HydrophobicContact CD1-CD2 4.41Å; L609-L613 WeakPolarHBondContact O-CB 3.24Å; L609-L613 WeakPolarHBondContact O-CG 3.41Å; L609-L613 PolarHBondContact O-N 3.47Å; R611-L613 VanDerWaalsContact C-N 3.3Å; R611-L613 PolarHBondContact O-N 3.09Å; L613-D615 VanDerWaalsContact C-N 3.32Å; L613-I616 HydrophobicContact CD2-CD1 4.48Å; L613-I616 PolarHBondContact O-N 3.5Å; L613-K617 VanDerWaalsContact O-CB 3.3Å; L613-K617 WeakPolarHBondContact O-CB 3.42Å; L613-K617 PolarHBondContact O-N 3.2Å; L613-L635 HydrophobicContact CB-CD1 4.2Å; L613-L635 HydrophobicContact CB-CD2 4.17Å; L613-L635 HydrophobicContact CD1-CD2 4.37Å
614E83.1Confident77.4Confident76 Ų7658.2 Ų58.236%0.35528%0.283SS..Hα-helixtrans-63.3-39.3171.2-74.4172.4-178.300111.5N610 R611 K617 F618 Q649N610-E614 WeakPolarHBondContact O-CG 3.43Å; N610-E614 PolarHBondContact O-N 2.71Å; R611-E614 WeakPolarHBondContact O-CB 3.37Å; R611-E614 PolarHBondContact O-N 3.28Å; E614-K617 PolarHBondContact O-N 3.08Å; E614-F618 WeakPolarHBondContact O-CB 3.31Å; E614-F618 PolarHBondContact O-N 2.76Å; E614-Q649 PolarHBondContact O-NE2 3.38Å
615D87Confident77.4Confident1 Ų156.6 Ų56.61%0.00527%0.269CS..Hα-helixtrans-63.5-46.6173.3-73.1-28.8000112.3L577 R611 E612 L613 K617 F618 L619 Q649 R652 L653L577-D615 HydrophobicContact CD1-CB 4.25Å; L577-D615 HydrophobicContact CD2-CB 3.61Å; R611-D615 PolarHBondContact O-N 3.02Å; R611-D615 VanDerWaalsContact O-N 3.16Å; E612-D615 WeakPolarHBondContact O-CB 3.38Å; E612-D615 PolarHBondContact O-N 2.91Å; L613-D615 VanDerWaalsContact C-N 3.32Å; D615-K617 VanDerWaalsContact C-N 3.34Å; D615-K617 PolarHBondContact O-N 3.06Å; D615-F618 PolarHBondContact O-N 2.97Å; D615-L619 WeakPolarHBondContact O-CG 3.31Å; D615-L619 PolarHBondContact O-N 2.96Å; D615-Q649 WeakPolarHBondContact OD1-CG 3.43Å; D615-Q649 PolarHBondContact OD1-NE2 2.91Å; D615-R652 IonicContact OD1-CZ 3.32Å; D615-R652 IonicContact OD1-NH1 3.21Å; D615-R652 IonicContact OD1-NH2 3.15Å; D615-R652 PolarHBondContact OD1-NH2 2.91Å; D615-R652 IonicContact OD2-CZ 2.85Å; D615-R652 IonicContact OD2-NH1 3.56Å; D615-R652 PolarHBondContact OD2-NH1 3.28Å; D615-R652 IonicContact OD2-NH2 3.96Å; D615-R652 PolarHBondContact OD2-NH2 3.3Å; D615-L653 HydrophobicContact CB-CD2 4.25Å
616I87.1Confident77.6Confident0 Ų061.2 Ų61.20%030%0.295CS..Hα-helixtrans-62.2-44.1176.6-67.3169.3000110.4V576 L577 F580 F602 E612 L613 F618 L619 I620V576-I616 HydrophobicContact CG2-CD1 3.94Å; L577-I616 HydrophobicContact CD2-CD1 4.41Å; L577-I616 HydrophobicContact CD2-CG1 3.71Å; F580-I616 HydrophobicContact CB-CD1 4.19Å; F580-I616 HydrophobicContact CB-CG1 4.19Å; F580-I616 HydrophobicContact CD1-CG1 4.24Å; F580-I616 HydrophobicContact CD2-CG1 4.4Å; F580-I616 HydrophobicContact CD2-CG2 3.77Å; F580-I616 HydrophobicContact CE2-CG2 3.74Å; F580-I616 HydrophobicContact CG-CD1 4.42Å; F580-I616 HydrophobicContact CG-CG1 4.01Å; F580-I616 HydrophobicContact CG-CG2 4.18Å; F580-I616 HydrophobicContact CZ-CG2 4.13Å; F602-I616 HydrophobicContact CE2-CG2 4.14Å; F602-I616 HydrophobicContact CZ-CB 4.3Å; F602-I616 HydrophobicContact CZ-CG2 3.71Å; E612-I616 VanDerWaalsContact O-CG1 3.31Å; E612-I616 WeakPolarHBondContact O-CG1 3.31Å; E612-I616 PolarHBondContact O-N 3.1Å; L613-I616 HydrophobicContact CD2-CD1 4.48Å; L613-I616 PolarHBondContact O-N 3.5Å; I616-F618 VanDerWaalsContact C-N 3.34Å; I616-F618 PolarHBondContact O-N 2.94Å; I616-L619 PolarHBondContact O-N 3.48Å; I616-I620 HydrophobicContact CG2-CD1 3.52Å; I616-I620 HydrophobicContact CG2-CG1 4.12Å; I616-I620 VanDerWaalsContact O-CG1 3.29Å; I616-I620 WeakPolarHBondContact O-CG1 3.47Å; I616-I620 PolarHBondContact O-N 3.32Å
617K84.5Confident77.7Confident41 Ų4159.3 Ų59.318%0.17830%0.296CS..Hα-helixtrans-56.9-47.8174.8166.3166.2-176.9-1790111.5L613 E614 D615 L619 I620 I621 V632 L635 P636L613-K617 VanDerWaalsContact O-CB 3.3Å; L613-K617 WeakPolarHBondContact O-CB 3.42Å; L613-K617 PolarHBondContact O-N 3.2Å; E614-K617 PolarHBondContact O-N 3.08Å; D615-K617 VanDerWaalsContact C-N 3.34Å; D615-K617 PolarHBondContact O-N 3.06Å; K617-L619 VanDerWaalsContact C-N 3.26Å; K617-L619 PolarHBondContact O-N 3.2Å; K617-I620 PolarHBondContact O-N 3.17Å; K617-I621 HydrophobicContact CG-CD1 4.06Å; K617-I621 WeakPolarHBondContact O-CD1 3.35Å; K617-I621 VanDerWaalsContact O-CG1 3.27Å; K617-I621 WeakPolarHBondContact O-CG1 3.44Å; K617-I621 PolarHBondContact O-N 3.12Å; K617-V632 HydrophobicContact CB-CG1 4.33Å; K617-V632 HydrophobicContact CD-CG1 3.61Å; K617-V632 HydrophobicContact CG-CG1 3.53Å; K617-L635 HydrophobicContact CB-CD1 3.73Å; K617-L635 HydrophobicContact CD-CB 4.19Å; K617-L635 HydrophobicContact CD-CD1 3.61Å; K617-L635 HydrophobicContact CG-CD1 4.29Å; K617-P636 PolarHBondContact NZ-O 2.89Å; K617-P636 VanDerWaalsContact NZ-O 3.16Å
618F85.9Confident78.1Confident7 Ų750.1 Ų50.13%0.03125%0.251CS..Hα-helixtrans-59.4-37179.3178.1-107.4000112.6E614 D615 I616 M646 Q649 C650 L653 R668 V672E614-F618 WeakPolarHBondContact O-CB 3.31Å; E614-F618 PolarHBondContact O-N 2.76Å; D615-F618 PolarHBondContact O-N 2.97Å; I616-F618 VanDerWaalsContact C-N 3.34Å; I616-F618 PolarHBondContact O-N 2.94Å; F618-M646 HydrophobicContact CE2-CB 3.99Å; F618-M646 HydrophobicContact CE2-CG 3.87Å; F618-M646 HydrophobicContact CE2-SD 4.26Å; F618-M646 HydrophobicContact CZ-CB 4.29Å; F618-Q649 VanDerWaalsContact CB-NE2 3.34Å; F618-Q649 HydrophobicContact CD1-CG 4.04Å; F618-Q649 HydrophobicContact CE1-CG 4.33Å; F618-Q649 HydrophobicContact CG-CG 4.35Å; F618-C650 VanDerWaalsContact CE1-SG 3.56Å; F618-C650 VanDerWaalsContact CZ-SG 3.59Å; F618-L653 HydrophobicContact CD1-CD1 4.26Å; F618-R668 HydrophobicContact CD1-CG 4Å; F618-R668 HydrophobicContact CE1-CB 4.36Å; F618-R668 HydrophobicContact CE1-CG 3.45Å; F618-R668 VanDerWaalsContact CE1-CG 3.45Å; F618-R668 HydrophobicContact CE2-CG 4.2Å; F618-R668 HydrophobicContact CZ-CG 3.56Å; F618-R668 PolarHBondContact O-NE 3.21Å; F618-V672 HydrophobicContact CE2-CG2 4.42Å; F618-V672 HydrophobicContact CZ-CG2 4.19Å
619L86Confident78.1Confident7 Ų750.3 Ų50.34%0.03726%0.259CS..Hα-helixtrans-75.1-42.8176.8-63.8175.5000112.7F580 D615 I616 K617 I621 S622 L653 L664 R668F580-L619 HydrophobicContact CD1-CD1 4.17Å; F580-L619 HydrophobicContact CE1-CB 3.84Å; F580-L619 HydrophobicContact CE1-CD1 3.78Å; F580-L619 HydrophobicContact CE1-CG 4.48Å; F580-L619 HydrophobicContact CZ-CB 4.29Å; D615-L619 WeakPolarHBondContact O-CG 3.31Å; D615-L619 PolarHBondContact O-N 2.96Å; I616-L619 PolarHBondContact O-N 3.48Å; K617-L619 VanDerWaalsContact C-N 3.26Å; K617-L619 PolarHBondContact O-N 3.2Å; L619-I621 VanDerWaalsContact C-N 3.34Å; L619-I621 PolarHBondContact O-N 2.88Å; L619-S622 PolarHBondContact O-N 2.78Å; L619-S622 PolarHBondContact O-OG 3.45Å; L619-L653 HydrophobicContact CD2-CD1 4.19Å; L619-L653 HydrophobicContact CG-CD1 4.4Å; L619-L664 HydrophobicContact CD1-CB 4.24Å; L619-L664 HydrophobicContact CD1-CD1 4.48Å; L619-L664 HydrophobicContact CD2-CB 4.08Å; L619-R668 HydrophobicContact CD2-CB 4.25Å
620I82.7Confident78Confident1 Ų153.1 Ų53.11%0.00528%0.279CS..Hα-helixtrans-64.1-32.9-177.8-69.6172.7000112.9F580 W584 L598 F602 I616 K617 S622 C623 L628 V632F580-I620 HydrophobicContact CE2-CD1 3.97Å; F580-I620 HydrophobicContact CE2-CG1 3.78Å; F580-I620 HydrophobicContact CZ-CD1 4.34Å; F580-I620 HydrophobicContact CZ-CG1 3.67Å; W584-I620 HydrophobicContact CZ3-CG1 4.14Å; L598-I620 HydrophobicContact CD1-CD1 3.9Å; F602-I620 HydrophobicContact CE2-CD1 4.18Å; F602-I620 HydrophobicContact CZ-CD1 4.28Å; I616-I620 HydrophobicContact CG2-CD1 3.52Å; I616-I620 HydrophobicContact CG2-CG1 4.12Å; I616-I620 VanDerWaalsContact O-CG1 3.29Å; I616-I620 WeakPolarHBondContact O-CG1 3.47Å; I616-I620 PolarHBondContact O-N 3.32Å; K617-I620 PolarHBondContact O-N 3.17Å; I620-S622 PolarHBondContact O-N 2.81Å; I620-C623 WeakPolarHBondContact O-CB 3.28Å; I620-C623 PolarHBondContact O-N 3.05Å; I620-L628 HydrophobicContact CG2-CB 4.11Å; I620-V632 HydrophobicContact CB-CG2 3.95Å; I620-V632 HydrophobicContact CD1-CG2 4.45Å; I620-V632 HydrophobicContact CG2-CG2 3.54Å
621I75.9Confident77.9Confident91 Ų9148.8 Ų48.847%0.46726%0.256SS..THydrogen-bonded Turntrans-56.1-26.6-178-71.9162.3000112.1K617 L619 C623K617-I621 HydrophobicContact CG-CD1 4.06Å; K617-I621 WeakPolarHBondContact O-CD1 3.35Å; K617-I621 VanDerWaalsContact O-CG1 3.27Å; K617-I621 WeakPolarHBondContact O-CG1 3.44Å; K617-I621 PolarHBondContact O-N 3.12Å; L619-I621 VanDerWaalsContact C-N 3.34Å; L619-I621 PolarHBondContact O-N 2.88Å; I621-C623 PolarHBondContact O-N 2.93Å
622S68.7Low77.6Confident50 Ų5043.2 Ų43.235%0.3524%0.237SC..THydrogen-bonded Turntrans-70.9-11.4175.167.60000114.5L619 I620L619-S622 PolarHBondContact O-N 2.78Å; L619-S622 PolarHBondContact O-OG 3.45Å; I620-S622 PolarHBondContact O-N 2.81Å
623C69.8Low77.1Confident31 Ų3145.7 Ų45.721%0.20926%0.258CS..  trans-81.5132.9-176.5-165.30000111.9W584 I620 I621 S625W584-C623 HydrophobicContact CH2-CB 3.89Å; W584-C623 HydrophobicContact CZ2-CB 4.35Å; I620-C623 WeakPolarHBondContact O-CB 3.28Å; I620-C623 PolarHBondContact O-N 3.05Å; I621-C623 PolarHBondContact O-N 2.93Å; C623-S625 PolarHBondContact O-N 3.26Å
624K67.7Low76.3Confident209 Ų20949 Ų4991%0.90927%0.27SS*.  trans-72.5-3.4175.3-63.7-177.7179.3178.70113.8N626K624-N626 PolarHBondContact O-N 3.09Å
625S70Confident75.7Confident18 Ų1846 Ų4613%0.12626%0.256CS..  trans-82.5115.5-175.91780000112C623 V627 L628 A629C623-S625 PolarHBondContact O-N 3.26Å; S625-V627 PolarHBondContact O-N 3.3Å; S625-V627 PolarHBondContact OG-N 3.37Å; S625-L628 PolarHBondContact O-N 3.21Å; S625-L628 PolarHBondContact OG-N 2.99Å; S625-A629 WeakPolarHBondContact O-CB 3.42Å; S625-A629 PolarHBondContact O-N 3.14Å
626N72.3Confident74.7Confident142 Ų14249 Ų4976%0.75928%0.276SS*.Hα-helixtrans-58.6-30.8173.8-69.4-17000112.8K624 S630K624-N626 PolarHBondContact O-N 3.09Å; N626-S630 PolarHBondContact O-N 3.32Å
627V73.2Confident73.4Confident69 Ų6954.9 Ų54.942%0.41832%0.317SS..Hα-helixtrans-72.5-38.1-179.2-178.50000111.5I591 A595 S625 S630 C631I591-V627 HydrophobicContact CG2-CB 3.74Å; I591-V627 HydrophobicContact CG2-CG1 3.92Å; I591-V627 HydrophobicContact CG2-CG2 4.31Å; A595-V627 HydrophobicContact CB-CG1 3.9Å; S625-V627 PolarHBondContact O-N 3.3Å; S625-V627 PolarHBondContact OG-N 3.37Å; V627-S630 PolarHBondContact O-OG 3.37Å; V627-C631 PolarHBondContact O-SG 3.45Å; V627-C631 VanDerWaalsContact O-SG 3.34Å
628L76.7Confident72.4Confident0 Ų057.6 Ų57.60%033%0.333CS..Hα-helixtrans-77.4-34.6174.5-63.4180000111.3V587 I591 V594 A595 L598 I620 S625 S630 C631V587-L628 HydrophobicContact CB-CD1 4.37Å; V587-L628 HydrophobicContact CG1-CD1 3.47Å; V587-L628 VanDerWaalsContact CG1-CD1 3.47Å; V587-L628 HydrophobicContact CG2-CD1 3.92Å; I591-L628 HydrophobicContact CG2-CG 4.33Å; V594-L628 HydrophobicContact CG1-CD2 4.42Å; A595-L628 HydrophobicContact CB-CD2 4.28Å; L598-L628 HydrophobicContact CD1-CD2 3.69Å; I620-L628 HydrophobicContact CG2-CB 4.11Å; S625-L628 PolarHBondContact O-N 3.21Å; S625-L628 PolarHBondContact OG-N 2.99Å; L628-S630 VanDerWaalsContact C-N 3.27Å; L628-S630 PolarHBondContact O-N 3.28Å; L628-C631 VanDerWaalsContact O-CB 3.29Å; L628-C631 WeakPolarHBondContact O-CB 3.49Å; L628-C631 PolarHBondContact O-N 3.25Å; L628-C631 VanDerWaalsContact O-N 3.12Å
629A73Confident71.5Confident51 Ų5161.9 Ų61.942%0.42136%0.363SS..Hα-helixtrans-61.2-3617300000112S625 C631 V632S625-A629 WeakPolarHBondContact O-CB 3.42Å; S625-A629 PolarHBondContact O-N 3.14Å; A629-C631 VanDerWaalsContact C-N 3.29Å; A629-C631 PolarHBondContact O-N 3.06Å; A629-V632 WeakPolarHBondContact O-CB 3.35Å; A629-V632 PolarHBondContact O-N 3.42Å
630S73.6Confident70.7Confident59 Ų5967.3 Ų67.341%0.41340%0.399SS..Hα-helixtrans-67.2-29.1175.374.20000112.7N626 V627 L628 V632 S633N626-S630 PolarHBondContact O-N 3.32Å; V627-S630 PolarHBondContact O-OG 3.37Å; L628-S630 VanDerWaalsContact C-N 3.27Å; L628-S630 PolarHBondContact O-N 3.28Å; S630-V632 PolarHBondContact O-N 3.43Å; S630-S633 VanDerWaalsContact O-CB 3.32Å; S630-S633 WeakPolarHBondContact O-CB 3.49Å; S630-S633 PolarHBondContact O-N 2.79Å; S630-S633 VanDerWaalsContact O-N 3.12Å; S630-S633 PolarHBondContact O-OG 3.38Å
631C73.2Confident70.5Confident1 Ų170.5 Ų70.51%0.00742%0.42CS..Hα-helixtrans-62-32.3173.7-60.90000111.9V627 L628 A629 S633 W634V627-C631 PolarHBondContact O-SG 3.45Å; V627-C631 VanDerWaalsContact O-SG 3.34Å; L628-C631 VanDerWaalsContact O-CB 3.29Å; L628-C631 WeakPolarHBondContact O-CB 3.49Å; L628-C631 PolarHBondContact O-N 3.25Å; L628-C631 VanDerWaalsContact O-N 3.12Å; A629-C631 VanDerWaalsContact C-N 3.29Å; A629-C631 PolarHBondContact O-N 3.06Å; C631-S633 VanDerWaalsContact C-N 3.26Å; C631-S633 PolarHBondContact O-N 2.92Å; C631-W634 VanDerWaalsContact CA-CE3 3.5Å; C631-W634 HydrophobicContact CB-CE3 3.9Å; C631-W634 HydrophobicContact CB-CH2 3.94Å; C631-W634 HydrophobicContact CB-CZ3 3.4Å; C631-W634 VanDerWaalsContact CB-CZ3 3.4Å; C631-W634 PolarHBondContact O-N 2.81Å; C631-W634 VanDerWaalsContact SG-CH2 3.57Å; C631-W634 VanDerWaalsContact SG-CZ3 3.57Å
632V73.2Confident71Confident18 Ų1868.7 Ų68.711%0.10942%0.416CS..Hα-helixtrans-67.5-27178178.40000112.2K617 I620 A629 S630 W634 L635K617-V632 HydrophobicContact CB-CG1 4.33Å; K617-V632 HydrophobicContact CD-CG1 3.61Å; K617-V632 HydrophobicContact CG-CG1 3.53Å; I620-V632 HydrophobicContact CB-CG2 3.95Å; I620-V632 HydrophobicContact CD1-CG2 4.45Å; I620-V632 HydrophobicContact CG2-CG2 3.54Å; A629-V632 WeakPolarHBondContact O-CB 3.35Å; A629-V632 PolarHBondContact O-N 3.42Å; S630-V632 PolarHBondContact O-N 3.43Å; V632-W634 PolarHBondContact O-N 2.84Å; V632-W634 VanDerWaalsContact O-N 3.07Å; V632-L635 PolarHBondContact O-N 3.31Å; V632-L635 VanDerWaalsContact O-N 3.15Å
633S71.7Confident72.1Confident88 Ų8867.5 Ų67.562%0.61541%0.405SS*.THydrogen-bonded Turntrans-63.2-13.8179.575.10000113.8S630 C631 L635S630-S633 VanDerWaalsContact O-CB 3.32Å; S630-S633 WeakPolarHBondContact O-CB 3.49Å; S630-S633 PolarHBondContact O-N 2.79Å; S630-S633 VanDerWaalsContact O-N 3.12Å; S630-S633 PolarHBondContact O-OG 3.38Å; C631-S633 VanDerWaalsContact C-N 3.26Å; C631-S633 PolarHBondContact O-N 2.92Å; S633-L635 VanDerWaalsContact C-N 3.33Å
634W67Low73.1Confident69 Ų6968.8 Ų68.826%0.26141%0.412SS..THydrogen-bonded Turntrans-77.9-16.1177.7-58.3-33.7000114.1E599 F602 R606 C631 V632E599-W634 HydrophobicContact CB-CH2 3.48Å; E599-W634 VanDerWaalsContact CB-CH2 3.48Å; E599-W634 HydrophobicContact CB-CZ2 4.49Å; E599-W634 HydrophobicContact CB-CZ3 3.52Å; E599-W634 HydrophobicContact CG-CH2 3.52Å; E599-W634 HydrophobicContact CG-CZ2 4.07Å; E599-W634 HydrophobicContact CG-CZ3 3.79Å; F602-W634 HydrophobicContact CB-CE3 3.93Å; F602-W634 HydrophobicContact CD2-CE3 4.25Å; F602-W634 HydrophobicContact CG-CE3 4.31Å; R606-W634 PolarHBondContact NH1-O 2.82Å; C631-W634 VanDerWaalsContact CA-CE3 3.5Å; C631-W634 HydrophobicContact CB-CE3 3.9Å; C631-W634 HydrophobicContact CB-CH2 3.94Å; C631-W634 HydrophobicContact CB-CZ3 3.4Å; C631-W634 VanDerWaalsContact CB-CZ3 3.4Å; C631-W634 PolarHBondContact O-N 2.81Å; C631-W634 VanDerWaalsContact SG-CH2 3.57Å; C631-W634 VanDerWaalsContact SG-CZ3 3.57Å; V632-W634 PolarHBondContact O-N 2.84Å; V632-W634 VanDerWaalsContact O-N 3.07Å
635L70.3Confident74.2Confident12 Ų1263.3 Ų63.36%0.06339%0.392CS..SBendtrans-87.2146.8168.2-75.1171.5000110.1F602 L613 K617 V632 S633 S637F602-L635 HydrophobicContact CD1-CD1 4.09Å; F602-L635 HydrophobicContact CD1-CD2 4.45Å; F602-L635 HydrophobicContact CD1-CG 3.96Å; F602-L635 HydrophobicContact CE1-CD1 3.55Å; F602-L635 HydrophobicContact CE1-CG 3.95Å; L613-L635 HydrophobicContact CB-CD1 4.2Å; L613-L635 HydrophobicContact CB-CD2 4.17Å; L613-L635 HydrophobicContact CD1-CD2 4.37Å; K617-L635 HydrophobicContact CB-CD1 3.73Å; K617-L635 HydrophobicContact CD-CB 4.19Å; K617-L635 HydrophobicContact CD-CD1 3.61Å; K617-L635 HydrophobicContact CG-CD1 4.29Å; V632-L635 PolarHBondContact O-N 3.31Å; V632-L635 VanDerWaalsContact O-N 3.15Å; S633-L635 VanDerWaalsContact C-N 3.33Å; L635-S637 PolarHBondContact O-N 2.97Å
636P67.2Low75.2Confident64 Ų6463.4 Ų63.442%0.41639%0.391SS..  trans-51.6142.4173.1-22.233.1000111R606 K617 I638R606-P636 VanDerWaalsContact NH2-CD 3.29Å; K617-P636 PolarHBondContact NZ-O 2.89Å; K617-P636 VanDerWaalsContact NZ-O 3.16Å; P636-I638 VanDerWaalsContact C-N 3.27Å; P636-I638 PolarHBondContact O-N 3.39Å
637S59.2Low76.3Confident124 Ų12456.7 Ų56.787%0.86736%0.355SS*.  trans-69.792.4165.6-160.30000107.5L635L635-S637 PolarHBondContact O-N 2.97Å
638I63.3Low77.3Confident99 Ų9958.6 Ų58.651%0.50836%0.358SS..  trans-71.7147.1165.3-56.4172.2000106.4P636P636-I638 VanDerWaalsContact C-N 3.27Å; P636-I638 PolarHBondContact O-N 3.39Å
639S67.8Low78Confident96 Ų9659.9 Ų59.967%0.67136%0.364SS*.  trans-41.5141.4167.8-48.60000110.3
640P69.3Low79Confident122 Ų12257.5 Ų57.579%0.79234%0.344SS*.PPolyproline II helixtrans-52.3127.817921.5-31.8000109.1
641P77.4Confident80Confident68 Ų6854.7 Ų54.744%0.44233%0.325SS..PPolyproline II helixtrans-60.1142.5-177.425.1-33.6000109.3D645 M646P641-D645 HydrophobicContact CB-CB 4.3Å; P641-M646 HydrophobicContact CB-CG 3.82Å; P641-M646 HydrophobicContact CG-CG 3.58Å; P641-M646 HydrophobicContact CG-SD 3.96Å
642S87.4Confident80.9Confident53 Ų5357.8 Ų57.837%0.37134%0.336SS..PPolyproline II helixtrans-62.8158.5173.775.80000109.9V644 D645 M646S642-V644 PolarHBondContact O-N 3.19Å; S642-D645 WeakPolarHBondContact CB-OD2 3.47Å; S642-D645 PolarHBondContact N-OD2 3.42Å; S642-D645 PolarHBondContact O-N 2.84Å; S642-D645 VanDerWaalsContact O-N 3.16Å; S642-D645 PolarHBondContact OG-N 2.56Å; S642-D645 VanDerWaalsContact OG-N 3.13Å; S642-D645 PolarHBondContact OG-OD2 3.17Å; S642-M646 WeakPolarHBondContact O-CG 3.46Å; S642-M646 PolarHBondContact O-N 3.15Å
643L91.2Very high81.7Confident24 Ų2457.2 Ų57.213%0.12633%0.332CS..Hα-helixtrans-54.3-43.9174.9174.561.9000111.4D645 M646 L647 V672 N676 A679 I680 L683L643-D645 VanDerWaalsContact C-N 3.35Å; L643-D645 PolarHBondContact O-N 3Å; L643-M646 HydrophobicContact CD1-CE 4.44Å; L643-M646 PolarHBondContact O-N 3.46Å; L643-L647 HydrophobicContact CD1-CD1 4.13Å; L643-L647 HydrophobicContact CD1-CD2 4.46Å; L643-L647 HydrophobicContact CD1-CG 4.04Å; L643-L647 HydrophobicContact CG-CD1 4.04Å; L643-L647 HydrophobicContact CG-CG 4.36Å; L643-L647 VanDerWaalsContact O-CG 3.29Å; L643-L647 WeakPolarHBondContact O-CG 3.29Å; L643-L647 PolarHBondContact O-N 2.95Å; L643-V672 HydrophobicContact CD1-CG1 3.91Å; L643-N676 HydrophobicContact CD1-CB 3.66Å; L643-N676 HydrophobicContact CD2-CB 4.1Å; L643-N676 HydrophobicContact CG-CB 4.47Å; L643-A679 HydrophobicContact CD2-CB 3.56Å; L643-I680 HydrophobicContact CD1-CG1 4.45Å; L643-I680 HydrophobicContact CD2-CG1 3.93Å; L643-L683 HydrophobicContact CD2-CD1 3.84Å; L643-L683 HydrophobicContact CG-CD1 4.34Å
644V91.4Very high82.7Confident59 Ų5953.1 Ų53.136%0.35830%0.304SS..Hα-helixtrans-62.9-41.7179.81790000111.1S642 M646 L647 F648 L683 I693S642-V644 PolarHBondContact O-N 3.19Å; V644-M646 PolarHBondContact O-N 3.24Å; V644-L647 PolarHBondContact O-N 3.35Å; V644-F648 WeakPolarHBondContact O-CB 3.41Å; V644-F648 PolarHBondContact O-N 3.2Å; V644-L683 HydrophobicContact CG2-CD1 4.32Å; V644-L683 HydrophobicContact CG2-CD2 4.3Å; V644-I693 HydrophobicContact CG1-CG2 4.4Å
645D90.7Very high83.8Confident93 Ų9355.4 Ų55.450%0.49731%0.312SS..Hα-helixtrans-63.6-42.5176.3-61.7-41.5000111.6P641 S642 L643 F648 Q649P641-D645 HydrophobicContact CB-CB 4.3Å; S642-D645 WeakPolarHBondContact CB-OD2 3.47Å; S642-D645 PolarHBondContact N-OD2 3.42Å; S642-D645 PolarHBondContact O-N 2.84Å; S642-D645 VanDerWaalsContact O-N 3.16Å; S642-D645 PolarHBondContact OG-N 2.56Å; S642-D645 VanDerWaalsContact OG-N 3.13Å; S642-D645 PolarHBondContact OG-OD2 3.17Å; L643-D645 VanDerWaalsContact C-N 3.35Å; L643-D645 PolarHBondContact O-N 3Å; D645-F648 PolarHBondContact O-N 3.06Å; D645-Q649 WeakPolarHBondContact O-CB 3.25Å; D645-Q649 PolarHBondContact O-N 3.27Å
646M91.3Very high84.4Confident21 Ų2156.1 Ų56.110%0.10332%0.32CS..Hα-helixtrans-62.5-43.1176.1-69.5-169.6-76.600111.8F618 P641 S642 L643 V644 Q649 C650 V672F618-M646 HydrophobicContact CE2-CB 3.99Å; F618-M646 HydrophobicContact CE2-CG 3.87Å; F618-M646 HydrophobicContact CE2-SD 4.26Å; F618-M646 HydrophobicContact CZ-CB 4.29Å; P641-M646 HydrophobicContact CB-CG 3.82Å; P641-M646 HydrophobicContact CG-CG 3.58Å; P641-M646 HydrophobicContact CG-SD 3.96Å; S642-M646 WeakPolarHBondContact O-CG 3.46Å; S642-M646 PolarHBondContact O-N 3.15Å; L643-M646 HydrophobicContact CD1-CE 4.44Å; L643-M646 PolarHBondContact O-N 3.46Å; V644-M646 PolarHBondContact O-N 3.24Å; M646-Q649 PolarHBondContact O-N 3Å; M646-C650 PolarHBondContact O-N 3.17Å; M646-V672 HydrophobicContact CB-CG1 4.29Å; M646-V672 HydrophobicContact SD-CG2 4.38Å
647L94.4Very high84.8Confident0 Ų057 Ų570%032%0.321CS..Hα-helixtrans-66.7-42.6177.5-67.2177000111.3L643 V644 Q649 C650 V651 L669 V672 L673 L683 I693 I694 L697L643-L647 HydrophobicContact CD1-CD1 4.13Å; L643-L647 HydrophobicContact CD1-CD2 4.46Å; L643-L647 HydrophobicContact CD1-CG 4.04Å; L643-L647 HydrophobicContact CG-CD1 4.04Å; L643-L647 HydrophobicContact CG-CG 4.36Å; L643-L647 VanDerWaalsContact O-CG 3.29Å; L643-L647 WeakPolarHBondContact O-CG 3.29Å; L643-L647 PolarHBondContact O-N 2.95Å; V644-L647 PolarHBondContact O-N 3.35Å; L647-Q649 VanDerWaalsContact C-N 3.29Å; L647-Q649 PolarHBondContact O-N 3.5Å; L647-C650 WeakPolarHBondContact O-CB 3.23Å; L647-C650 PolarHBondContact O-N 3.17Å; L647-V651 WeakPolarHBondContact O-CG2 3.38Å; L647-V651 PolarHBondContact O-N 3.24Å; L647-L669 HydrophobicContact CD2-CD1 3.93Å; L647-V672 HydrophobicContact CD2-CG1 4.25Å; L647-L673 HydrophobicContact CD2-CD2 4.11Å; L647-L683 HydrophobicContact CD1-CD1 4.18Å; L647-I693 HydrophobicContact CB-CD1 4.42Å; L647-I693 HydrophobicContact CB-CG1 3.62Å; L647-I693 HydrophobicContact CD1-CG2 4.08Å; L647-I694 HydrophobicContact CD1-CD1 3.82Å; L647-L697 HydrophobicContact CD2-CD2 4.15Å
648F93.5Very high85.9Confident109 Ų10951.4 Ų51.448%0.47828%0.282SS..Hα-helixtrans-59.1-41.8174.4-172.9-94.6000111.9V644 D645 V651 R652 I693V644-F648 WeakPolarHBondContact O-CB 3.41Å; V644-F648 PolarHBondContact O-N 3.2Å; D645-F648 PolarHBondContact O-N 3.06Å; F648-V651 PolarHBondContact O-N 3.33Å; F648-R652 WeakPolarHBondContact O-CB 3.38Å; F648-R652 PolarHBondContact O-N 3.2Å; F648-I693 HydrophobicContact CB-CD1 4.03Å; F648-I693 HydrophobicContact CD2-CD1 4.13Å
649Q92.1Very high86.9Confident28 Ų2847.5 Ų47.513%0.13126%0.264CS..Hα-helixtrans-63.6-45.3174.6-169.1171.71300111.9E614 D615 F618 D645 M646 L647 R652 L653E614-Q649 PolarHBondContact O-NE2 3.38Å; D615-Q649 WeakPolarHBondContact OD1-CG 3.43Å; D615-Q649 PolarHBondContact OD1-NE2 2.91Å; F618-Q649 VanDerWaalsContact CB-NE2 3.34Å; F618-Q649 HydrophobicContact CD1-CG 4.04Å; F618-Q649 HydrophobicContact CE1-CG 4.33Å; F618-Q649 HydrophobicContact CG-CG 4.35Å; D645-Q649 WeakPolarHBondContact O-CB 3.25Å; D645-Q649 PolarHBondContact O-N 3.27Å; M646-Q649 PolarHBondContact O-N 3Å; L647-Q649 VanDerWaalsContact C-N 3.29Å; L647-Q649 PolarHBondContact O-N 3.5Å; Q649-R652 PolarHBondContact O-N 3.05Å; Q649-L653 HydrophobicContact CG-CD1 4.25Å; Q649-L653 WeakPolarHBondContact O-CG 3.48Å; Q649-L653 PolarHBondContact O-N 3.14Å
650C93.7Very high87.8Confident0 Ų044.1 Ų44.10%024%0.237CC..Hα-helixtrans-57.7-51.4173.9-82.70000112.2F618 M646 L647 R652 L653 I654 L669F618-C650 VanDerWaalsContact CE1-SG 3.56Å; F618-C650 VanDerWaalsContact CZ-SG 3.59Å; M646-C650 PolarHBondContact O-N 3.17Å; L647-C650 WeakPolarHBondContact O-CB 3.23Å; L647-C650 PolarHBondContact O-N 3.17Å; C650-R652 VanDerWaalsContact C-N 3.3Å; C650-R652 PolarHBondContact O-N 2.9Å; C650-L653 PolarHBondContact O-N 3.04Å; C650-L653 VanDerWaalsContact O-N 3.12Å; C650-I654 HydrophobicContact CB-CD1 4.48Å; C650-I654 WeakPolarHBondContact O-CB 3.36Å; C650-I654 WeakPolarHBondContact O-CD1 3.18Å; C650-I654 WeakPolarHBondContact O-CG1 3.4Å; C650-I654 PolarHBondContact O-N 3.3Å; C650-L669 HydrophobicContact CB-CB 4.42Å; C650-L669 HydrophobicContact CB-CD1 4.04Å
651V93.9Very high88.8Confident1 Ų138.8 Ų38.81%0.00620%0.202CC..Hα-helixtrans-56.1-46.1179.2168.40000110.7L647 F648 L653 I654 R655 I693 E696 L697 E700L647-V651 WeakPolarHBondContact O-CG2 3.38Å; L647-V651 PolarHBondContact O-N 3.24Å; F648-V651 PolarHBondContact O-N 3.33Å; V651-L653 PolarHBondContact O-N 2.97Å; V651-I654 PolarHBondContact O-N 2.9Å; V651-R655 WeakPolarHBondContact O-CG 3.37Å; V651-R655 PolarHBondContact O-N 3.09Å; V651-R655 VanDerWaalsContact O-N 3.11Å; V651-I693 HydrophobicContact CB-CD1 4.48Å; V651-I693 HydrophobicContact CG2-CD1 4.02Å; V651-E696 HydrophobicContact CG1-CB 4.26Å; V651-L697 HydrophobicContact CG2-CB 3.76Å; V651-L697 HydrophobicContact CG2-CD1 3.84Å; V651-L697 HydrophobicContact CG2-CG 4.41Å; V651-E700 HydrophobicContact CG1-CG 4.05Å
652R92.1Very high89.5Confident66 Ų6637 Ų3725%0.24919%0.187CC..Hα-helixtrans-60.7-42.7177.2179173.161.797.9-3.8112.8D615 F648 Q649 C650 R655D615-R652 IonicContact OD1-CZ 3.32Å; D615-R652 IonicContact OD1-NH1 3.21Å; D615-R652 IonicContact OD1-NH2 3.15Å; D615-R652 PolarHBondContact OD1-NH2 2.91Å; D615-R652 IonicContact OD2-CZ 2.85Å; D615-R652 IonicContact OD2-NH1 3.56Å; D615-R652 PolarHBondContact OD2-NH1 3.28Å; D615-R652 IonicContact OD2-NH2 3.96Å; D615-R652 PolarHBondContact OD2-NH2 3.3Å; F648-R652 WeakPolarHBondContact O-CB 3.38Å; F648-R652 PolarHBondContact O-N 3.2Å; Q649-R652 PolarHBondContact O-N 3.05Å; C650-R652 VanDerWaalsContact C-N 3.3Å; C650-R652 PolarHBondContact O-N 2.9Å; R652-R655 PolarHBondContact O-N 2.95Å
653L91.5Very high89.7Confident5 Ų538.3 Ų38.33%0.02618%0.184CC..Hα-helixtrans-72.2-33.9179.8-68.4171.9000112.2L577 D615 F618 L619 Q649 C650 V651 R655 A656 I661L577-L653 HydrophobicContact CD1-CD2 4.32Å; D615-L653 HydrophobicContact CB-CD2 4.25Å; F618-L653 HydrophobicContact CD1-CD1 4.26Å; L619-L653 HydrophobicContact CD2-CD1 4.19Å; L619-L653 HydrophobicContact CG-CD1 4.4Å; Q649-L653 HydrophobicContact CG-CD1 4.25Å; Q649-L653 WeakPolarHBondContact O-CG 3.48Å; Q649-L653 PolarHBondContact O-N 3.14Å; C650-L653 PolarHBondContact O-N 3.04Å; C650-L653 VanDerWaalsContact O-N 3.12Å; V651-L653 PolarHBondContact O-N 2.97Å; L653-R655 VanDerWaalsContact C-N 3.28Å; L653-R655 PolarHBondContact O-N 2.67Å; L653-A656 WeakPolarHBondContact O-CB 3.19Å; L653-A656 PolarHBondContact O-N 3.48Å; L653-A656 VanDerWaalsContact O-N 3.13Å; L653-I661 HydrophobicContact CB-CG2 4.34Å; L653-I661 HydrophobicContact CD2-CG2 4.35Å
654I92.7Very high89.7Confident2 Ų238.2 Ų38.21%0.0118%0.184CC..Hα-helixtrans-65.6-32.9175.7-70.4164.2000111.3C650 V651 A656 K662 L666 L669 L697 E700 C704C650-I654 HydrophobicContact CB-CD1 4.48Å; C650-I654 WeakPolarHBondContact O-CB 3.36Å; C650-I654 WeakPolarHBondContact O-CD1 3.18Å; C650-I654 WeakPolarHBondContact O-CG1 3.4Å; C650-I654 PolarHBondContact O-N 3.3Å; V651-I654 PolarHBondContact O-N 2.9Å; I654-A656 PolarHBondContact O-N 3.21Å; I654-K662 VanDerWaalsContact O-CE 3.31Å; I654-K662 WeakPolarHBondContact O-CE 3.48Å; I654-L666 HydrophobicContact CD1-CD2 3.71Å; I654-L666 HydrophobicContact CD1-CG 4.45Å; I654-L666 HydrophobicContact CG1-CD2 4.02Å; I654-L666 HydrophobicContact CG1-CG 4.27Å; I654-L669 HydrophobicContact CD1-CD2 3.85Å; I654-L697 HydrophobicContact CD1-CD1 4.25Å; I654-E700 HydrophobicContact CG2-CB 4.04Å; I654-C704 WeakPolarHBondContact CG2-SG 3.33Å
655R89.3Confident89.7Confident118 Ų11835.4 Ų35.445%0.44517%0.166SC..THydrogen-bonded Turntrans-67-11.2173.7-74.6174.6174.8150.58.9114V651 R652 L653 E696 E700V651-R655 WeakPolarHBondContact O-CG 3.37Å; V651-R655 PolarHBondContact O-N 3.09Å; V651-R655 VanDerWaalsContact O-N 3.11Å; R652-R655 PolarHBondContact O-N 2.95Å; L653-R655 VanDerWaalsContact C-N 3.28Å; L653-R655 PolarHBondContact O-N 2.67Å; R655-E696 IonicContact CZ-OE2 3.22Å; R655-E696 IonicContact NH1-OE2 3.52Å; R655-E696 PolarHBondContact NH1-OE2 2.95Å; R655-E696 VanDerWaalsContact NH1-OE2 3.07Å; R655-E696 IonicContact NH2-OE2 2.69Å; R655-E696 PolarHBondContact NH2-OE2 2.78Å; R655-E700 HydrophobicContact CG-CG 4.14Å; R655-E700 IonicContact CZ-OE1 2.8Å; R655-E700 IonicContact NE-OE1 2.64Å; R655-E700 PolarHBondContact NE-OE1 3.4Å; R655-E700 IonicContact NH2-OE1 3.07Å; R655-E700 PolarHBondContact NH2-OE1 2.85Å
656A82.9Confident90Very high27 Ų2731 Ų3122%0.22314%0.143CC..SBendtrans-64.9143.2177.500000111.3L653 I654 S658 I661 K662L653-A656 WeakPolarHBondContact O-CB 3.19Å; L653-A656 PolarHBondContact O-N 3.48Å; L653-A656 VanDerWaalsContact O-N 3.13Å; I654-A656 PolarHBondContact O-N 3.21Å; A656-S658 PolarHBondContact O-N 3.38Å; A656-I661 HydrophobicContact CB-CB 4.22Å; A656-I661 HydrophobicContact CB-CD1 4.34Å; A656-I661 HydrophobicContact CB-CG2 3.83Å; A656-K662 WeakPolarHBondContact O-CE 3.28Å
657D76.7Confident90Very high81 Ų8131.9 Ų31.943%0.43315%0.154SC..SBendtrans-68.5-22.9-179.5-66.6-50.9000113.4S659D657-S659 PolarHBondContact O-N 3.18Å
658S81.9Confident89.9Confident8 Ų832.8 Ų32.86%0.05616%0.157CC..  trans-72.2123.3-178.8175.80000112.3A656 E660 I661 K662A656-S658 PolarHBondContact O-N 3.38Å; S658-E660 PolarHBondContact O-N 2.87Å; S658-E660 PolarHBondContact OG-N 3.14Å; S658-I661 PolarHBondContact O-N 3.04Å; S658-I661 PolarHBondContact OG-N 3.33Å; S658-K662 WeakPolarHBondContact O-CG 3.28Å; S658-K662 PolarHBondContact O-N 3.48Å; S658-K662 VanDerWaalsContact O-N 3.09Å
659S84.4Confident90Very high17 Ų1727.6 Ų27.612%0.11913%0.134CC..Hα-helixtrans-59.3-35.4172.556.10000112.4D657 K662 R663D657-S659 PolarHBondContact O-N 3.18Å; S659-K662 WeakPolarHBondContact O-CB 3.38Å; S659-K662 PolarHBondContact O-N 3.24Å; S659-R663 WeakPolarHBondContact O-CG 3.32Å; S659-R663 PolarHBondContact O-N 3.17Å
660E86.8Confident90.1Very high24 Ų2427.3 Ų27.311%0.11213%0.134CC..Hα-helixtrans-64.8-44179.6-56.8174.3131.600111.3R542 A581 S658 K662 R663 L664R542-E660 IonicContact CZ-OE2 2.75Å; R542-E660 VanDerWaalsContact CZ-OE2 3.32Å; R542-E660 IonicContact NE-OE1 3.43Å; R542-E660 IonicContact NE-OE2 2.73Å; R542-E660 PolarHBondContact NE-OE2 3.21Å; R542-E660 IonicContact NH2-OE2 3.58Å; R542-E660 PolarHBondContact NH2-OE2 3.2Å; A581-E660 HydrophobicContact CB-CB 3.66Å; S658-E660 PolarHBondContact O-N 2.87Å; S658-E660 PolarHBondContact OG-N 3.14Å; E660-K662 VanDerWaalsContact C-N 3.35Å; E660-R663 PolarHBondContact O-N 3.13Å; E660-L664 WeakPolarHBondContact O-CG 3.25Å; E660-L664 PolarHBondContact O-N 3.4Å; E660-L664 VanDerWaalsContact O-N 3.13Å
661I89.6Confident90Very high10 Ų1029.7 Ų29.75%0.05115%0.148CC..Hα-helixtrans-65.7-40.6176.4-64.6173.1000110.1L577 A581 L653 A656 S658 R663 L664 S665L577-I661 HydrophobicContact CB-CD1 4.15Å; A581-I661 HydrophobicContact CB-CG1 3.68Å; L653-I661 HydrophobicContact CB-CG2 4.34Å; L653-I661 HydrophobicContact CD2-CG2 4.35Å; A656-I661 HydrophobicContact CB-CB 4.22Å; A656-I661 HydrophobicContact CB-CD1 4.34Å; A656-I661 HydrophobicContact CB-CG2 3.83Å; S658-I661 PolarHBondContact O-N 3.04Å; S658-I661 PolarHBondContact OG-N 3.33Å; I661-R663 PolarHBondContact O-N 2.95Å; I661-L664 PolarHBondContact O-N 3.15Å; I661-S665 WeakPolarHBondContact O-CB 3.48Å; I661-S665 PolarHBondContact O-N 3.44Å; I661-S665 PolarHBondContact O-OG 2.96Å
662K91.8Very high90Very high30 Ų3029.6 Ų29.613%0.1315%0.148CC..Hα-helixtrans-59.3-44.3173.7-69.6-176.9-166.3178.90112I654 A656 S658 S659 E660 L664 S665 L666 H707 V712I654-K662 VanDerWaalsContact O-CE 3.31Å; I654-K662 WeakPolarHBondContact O-CE 3.48Å; A656-K662 WeakPolarHBondContact O-CE 3.28Å; S658-K662 WeakPolarHBondContact O-CG 3.28Å; S658-K662 PolarHBondContact O-N 3.48Å; S658-K662 VanDerWaalsContact O-N 3.09Å; S659-K662 WeakPolarHBondContact O-CB 3.38Å; S659-K662 PolarHBondContact O-N 3.24Å; E660-K662 VanDerWaalsContact C-N 3.35Å; K662-L664 PolarHBondContact O-N 2.9Å; K662-S665 WeakPolarHBondContact CA-OG 3.23Å; K662-S665 PolarHBondContact O-N 2.94Å; K662-S665 PolarHBondContact O-OG 3Å; K662-S665 VanDerWaalsContact O-OG 3.07Å; K662-L666 VanDerWaalsContact O-CB 3.22Å; K662-L666 WeakPolarHBondContact O-CB 3.46Å; K662-L666 WeakPolarHBondContact O-CD1 3.32Å; K662-L666 WeakPolarHBondContact O-CG 3.47Å; K662-L666 PolarHBondContact O-N 3.4Å; K662-H707 PolarHBondContact NZ-CD2 3.47Å; K662-H707 PolarHBondContact NZ-NE2 2.71Å; K662-V712 HydrophobicContact CB-CG1 4.28Å; K662-V712 HydrophobicContact CB-CG2 3.98Å; K662-V712 HydrophobicContact CD-CG1 4.25Å
663R91.4Very high90.1Very high82 Ų8226.7 Ų26.731%0.30914%0.137SC..Hα-helixtrans-60-47178-71.3-173-60.5-142.311.6111.9S659 E660 I661 A667 D709 V711 V712 L715S659-R663 WeakPolarHBondContact O-CG 3.32Å; S659-R663 PolarHBondContact O-N 3.17Å; E660-R663 PolarHBondContact O-N 3.13Å; I661-R663 PolarHBondContact O-N 2.95Å; R663-A667 VanDerWaalsContact O-CB 3.25Å; R663-A667 WeakPolarHBondContact O-CB 3.33Å; R663-A667 PolarHBondContact O-N 2.76Å; R663-D709 IonicContact CZ-OD2 2.59Å; R663-D709 IonicContact NE-OD2 3.9Å; R663-D709 IonicContact NH1-OD2 2.74Å; R663-D709 PolarHBondContact NH1-OD2 3.23Å; R663-V711 HydrophobicContact CG-CB 4.25Å; R663-V711 HydrophobicContact CG-CG1 3.99Å; R663-V712 HydrophobicContact CG-CG2 3.71Å; R663-L715 HydrophobicContact CB-CD1 4.41Å; R663-L715 WeakPolarHBondContact O-CD1 3.28Å
664L91.1Very high90.1Very high22 Ų2234.7 Ų34.712%0.11517%0.171CC..Hα-helixtrans-66-45.4179.3-66.4175.4000112.3F580 A581 W584 L619 E660 I661 K662 A667 R668F580-L664 HydrophobicContact CD1-CD1 4.23Å; F580-L664 HydrophobicContact CE1-CD1 3.93Å; A581-L664 HydrophobicContact CB-CD1 3.94Å; W584-L664 HydrophobicContact CB-CD1 4.21Å; W584-L664 HydrophobicContact CB-CD2 4.39Å; W584-L664 HydrophobicContact CD2-CD2 3.92Å; W584-L664 HydrophobicContact CG-CD1 4.23Å; W584-L664 HydrophobicContact CG-CD2 3.64Å; L619-L664 HydrophobicContact CD1-CB 4.24Å; L619-L664 HydrophobicContact CD1-CD1 4.48Å; L619-L664 HydrophobicContact CD2-CB 4.08Å; E660-L664 WeakPolarHBondContact O-CG 3.25Å; E660-L664 PolarHBondContact O-N 3.4Å; E660-L664 VanDerWaalsContact O-N 3.13Å; I661-L664 PolarHBondContact O-N 3.15Å; K662-L664 PolarHBondContact O-N 2.9Å; L664-A667 PolarHBondContact O-N 2.85Å; L664-R668 WeakPolarHBondContact O-CB 3.21Å; L664-R668 PolarHBondContact O-N 3.24Å
665S92.9Very high90Very high0 Ų040.8 Ų40.80%020%0.2CC..Hα-helixtrans-67.5-39.4-179.855.40000112.6I661 K662 R668 L669I661-S665 WeakPolarHBondContact O-CB 3.48Å; I661-S665 PolarHBondContact O-N 3.44Å; I661-S665 PolarHBondContact O-OG 2.96Å; K662-S665 WeakPolarHBondContact CA-OG 3.23Å; K662-S665 PolarHBondContact O-N 2.94Å; K662-S665 PolarHBondContact O-OG 3Å; K662-S665 VanDerWaalsContact O-OG 3.07Å; S665-R668 PolarHBondContact O-N 3.44Å; S665-L669 VanDerWaalsContact O-CB 3.29Å; S665-L669 WeakPolarHBondContact O-CB 3.3Å; S665-L669 PolarHBondContact O-N 2.87Å
666L95.2Very high90.2Very high0 Ų037.2 Ų37.20%019%0.19CC..Hα-helixtrans-69.6-38.8174.7-69.6169.3000112.2I654 K662 R668 L669 N670 L701 V712 L715I654-L666 HydrophobicContact CD1-CD2 3.71Å; I654-L666 HydrophobicContact CD1-CG 4.45Å; I654-L666 HydrophobicContact CG1-CD2 4.02Å; I654-L666 HydrophobicContact CG1-CG 4.27Å; K662-L666 VanDerWaalsContact O-CB 3.22Å; K662-L666 WeakPolarHBondContact O-CB 3.46Å; K662-L666 WeakPolarHBondContact O-CD1 3.32Å; K662-L666 WeakPolarHBondContact O-CG 3.47Å; K662-L666 PolarHBondContact O-N 3.4Å; L666-R668 VanDerWaalsContact C-N 3.31Å; L666-R668 PolarHBondContact O-N 3.21Å; L666-L669 HydrophobicContact CD2-CD2 4.16Å; L666-L669 PolarHBondContact O-N 3.12Å; L666-N670 VanDerWaalsContact O-CG 3.32Å; L666-N670 PolarHBondContact O-N 3.42Å; L666-N670 PolarHBondContact O-ND2 2.91Å; L666-L701 HydrophobicContact CD2-CD2 3.61Å; L666-V712 HydrophobicContact CD1-CB 4.46Å; L666-V712 HydrophobicContact CD1-CG1 3.83Å; L666-L715 HydrophobicContact CB-CB 3.69Å; L666-L715 HydrophobicContact CB-CD1 4.18Å; L666-L715 HydrophobicContact CD1-CB 4.13Å
667A92.6Very high90.6Very high40 Ų4041.4 Ų41.433%0.33121%0.205SC..Hα-helixtrans-60.6-43.417300000111R663 L664 N670 V671 L715R663-A667 VanDerWaalsContact O-CB 3.25Å; R663-A667 WeakPolarHBondContact O-CB 3.33Å; R663-A667 PolarHBondContact O-N 2.76Å; L664-A667 PolarHBondContact O-N 2.85Å; A667-N670 PolarHBondContact O-N 3.23Å; A667-V671 PolarHBondContact O-N 2.94Å; A667-L715 HydrophobicContact CB-CD1 4.43Å
668R91.9Very high91.3Very high18 Ų1844.3 Ų44.37%0.06822%0.219CC..Hα-helixtrans-66-43.3174.5-178.957.1-179153.93.4112.1F618 L619 L664 S665 L666 N670 V671 V672F618-R668 HydrophobicContact CD1-CG 4Å; F618-R668 HydrophobicContact CE1-CB 4.36Å; F618-R668 HydrophobicContact CE1-CG 3.45Å; F618-R668 VanDerWaalsContact CE1-CG 3.45Å; F618-R668 HydrophobicContact CE2-CG 4.2Å; F618-R668 HydrophobicContact CZ-CG 3.56Å; F618-R668 PolarHBondContact O-NE 3.21Å; L619-R668 HydrophobicContact CD2-CB 4.25Å; L664-R668 WeakPolarHBondContact O-CB 3.21Å; L664-R668 PolarHBondContact O-N 3.24Å; S665-R668 PolarHBondContact O-N 3.44Å; L666-R668 VanDerWaalsContact C-N 3.31Å; L666-R668 PolarHBondContact O-N 3.21Å; R668-N670 VanDerWaalsContact C-N 3.3Å; R668-N670 PolarHBondContact O-N 3.44Å; R668-V671 WeakPolarHBondContact O-CB 3.41Å; R668-V671 PolarHBondContact O-N 3.32Å; R668-V671 VanDerWaalsContact O-N 3.09Å; R668-V672 HydrophobicContact CG-CG2 4.38Å; R668-V672 WeakPolarHBondContact O-CG2 3.49Å; R668-V672 PolarHBondContact O-N 2.63Å
669L95.2Very high91.8Very high0 Ų045.6 Ų45.60%023%0.231CC..Hα-helixtrans-56.1-45.5176.3175.766.3000110.9L647 C650 I654 S665 L666 V671 V672 L673 L697 L701 S719L647-L669 HydrophobicContact CD2-CD1 3.93Å; C650-L669 HydrophobicContact CB-CB 4.42Å; C650-L669 HydrophobicContact CB-CD1 4.04Å; I654-L669 HydrophobicContact CD1-CD2 3.85Å; S665-L669 VanDerWaalsContact O-CB 3.29Å; S665-L669 WeakPolarHBondContact O-CB 3.3Å; S665-L669 PolarHBondContact O-N 2.87Å; L666-L669 HydrophobicContact CD2-CD2 4.16Å; L666-L669 PolarHBondContact O-N 3.12Å; L669-V671 PolarHBondContact O-N 3.25Å; L669-V672 PolarHBondContact O-N 3.46Å; L669-V672 VanDerWaalsContact O-N 3.1Å; L669-L673 HydrophobicContact CD1-CD1 3.97Å; L669-L673 HydrophobicContact CD1-CD2 4.07Å; L669-L673 HydrophobicContact CD1-CG 3.77Å; L669-L673 HydrophobicContact CD2-CD1 4.28Å; L669-L673 HydrophobicContact CG-CD1 3.77Å; L669-L673 HydrophobicContact CG-CG 4Å; L669-L673 WeakPolarHBondContact O-CB 3.33Å; L669-L673 VanDerWaalsContact O-CG 3.29Å; L669-L673 WeakPolarHBondContact O-CG 3.41Å; L669-L673 PolarHBondContact O-N 3.09Å; L669-L697 HydrophobicContact CD1-CD1 4.18Å; L669-L697 HydrophobicContact CD1-CD2 4.03Å; L669-L697 HydrophobicContact CD2-CD1 3.68Å; L669-L701 HydrophobicContact CD2-CD1 4.49Å; L669-L701 HydrophobicContact CD2-CD2 3.96Å; L669-S719 WeakPolarHBondContact CD2-OG 3.38Å
670N94.8Very high92.2Very high23 Ų2345 Ų4512%0.12323%0.226CC..Hα-helixtrans-58.8-36.3177.9-74.9-26.4000112.7L666 A667 R668 K674 L715 S719L666-N670 VanDerWaalsContact O-CG 3.32Å; L666-N670 PolarHBondContact O-N 3.42Å; L666-N670 PolarHBondContact O-ND2 2.91Å; A667-N670 PolarHBondContact O-N 3.23Å; R668-N670 VanDerWaalsContact C-N 3.3Å; R668-N670 PolarHBondContact O-N 3.44Å; N670-K674 VanDerWaalsContact O-CB 3.28Å; N670-K674 WeakPolarHBondContact O-CB 3.4Å; N670-K674 PolarHBondContact O-N 3.47Å; N670-K674 VanDerWaalsContact O-N 3.15Å; N670-L715 PolarHBondContact ND2-O 2.95Å; N670-S719 VanDerWaalsContact OD1-CA 3.24Å; N670-S719 WeakPolarHBondContact OD1-CA 3.43Å; N670-S719 WeakPolarHBondContact OD1-CB 3.49Å; N670-S719 PolarHBondContact OD1-N 3.08Å; N670-S719 VanDerWaalsContact OD1-N 3.12Å; N670-S719 PolarHBondContact OD1-OG 3.02Å
671V92.4Very high92.4Very high49 Ų4948.2 Ų48.230%0.29724%0.241SC..Hα-helixtrans-68.2-48.8173.3177.50000110.7A667 R668 L669 L673 K674 E675A667-V671 PolarHBondContact O-N 2.94Å; R668-V671 WeakPolarHBondContact O-CB 3.41Å; R668-V671 PolarHBondContact O-N 3.32Å; R668-V671 VanDerWaalsContact O-N 3.09Å; L669-V671 PolarHBondContact O-N 3.25Å; V671-L673 VanDerWaalsContact C-N 3.33Å; V671-L673 PolarHBondContact O-N 3.04Å; V671-K674 PolarHBondContact O-N 3.15Å; V671-E675 HydrophobicContact CG1-CG 4.25Å; V671-E675 WeakPolarHBondContact CG1-OE1 3.4Å; V671-E675 WeakPolarHBondContact O-CB 3.15Å; V671-E675 WeakPolarHBondContact O-CG 3.28Å; V671-E675 PolarHBondContact O-N 3.36Å
672V92.8Very high92.5Very high0 Ų054.2 Ų54.20%027%0.269CS..Hα-helixtrans-59-44.2179.4173.30000111.4F618 L643 M646 L647 R668 L669 E675 N676F618-V672 HydrophobicContact CE2-CG2 4.42Å; F618-V672 HydrophobicContact CZ-CG2 4.19Å; L643-V672 HydrophobicContact CD1-CG1 3.91Å; M646-V672 HydrophobicContact CB-CG1 4.29Å; M646-V672 HydrophobicContact SD-CG2 4.38Å; L647-V672 HydrophobicContact CD2-CG1 4.25Å; R668-V672 HydrophobicContact CG-CG2 4.38Å; R668-V672 WeakPolarHBondContact O-CG2 3.49Å; R668-V672 PolarHBondContact O-N 2.63Å; L669-V672 PolarHBondContact O-N 3.46Å; L669-V672 VanDerWaalsContact O-N 3.1Å; V672-E675 PolarHBondContact O-N 2.73Å; V672-N676 WeakPolarHBondContact O-CB 3.25Å; V672-N676 PolarHBondContact O-N 2.89Å; V672-N676 VanDerWaalsContact O-N 3.12Å; V672-N676 PolarHBondContact O-ND2 3.31Å
673L94.6Very high92.5Very high4 Ų454.1 Ų54.12%0.02127%0.27CS..Hα-helixtrans-63.7-41.7178.6-67177.3000111.7L647 L669 V671 Q677 I680 L697 A722 L723L647-L673 HydrophobicContact CD2-CD2 4.11Å; L669-L673 HydrophobicContact CD1-CD1 3.97Å; L669-L673 HydrophobicContact CD1-CD2 4.07Å; L669-L673 HydrophobicContact CD1-CG 3.77Å; L669-L673 HydrophobicContact CD2-CD1 4.28Å; L669-L673 HydrophobicContact CG-CD1 3.77Å; L669-L673 HydrophobicContact CG-CG 4Å; L669-L673 WeakPolarHBondContact O-CB 3.33Å; L669-L673 VanDerWaalsContact O-CG 3.29Å; L669-L673 WeakPolarHBondContact O-CG 3.41Å; L669-L673 PolarHBondContact O-N 3.09Å; V671-L673 VanDerWaalsContact C-N 3.33Å; V671-L673 PolarHBondContact O-N 3.04Å; L673-Q677 PolarHBondContact O-N 2.88Å; L673-I680 HydrophobicContact CB-CD1 4.17Å; L673-I680 HydrophobicContact CD2-CD1 3.5Å; L673-I680 HydrophobicContact CD2-CG1 4.41Å; L673-I680 HydrophobicContact CG-CD1 4.41Å; L673-I680 WeakPolarHBondContact O-CD1 3.37Å; L673-L697 HydrophobicContact CD2-CD2 4.35Å; L673-A722 HydrophobicContact CB-CB 3.97Å; L673-A722 HydrophobicContact CD1-CB 4.01Å; L673-L723 HydrophobicContact CD1-CG 4.44Å; L673-L723 HydrophobicContact CD2-CD2 3.86Å
674K91.5Very high92.5Very high173 Ų17351 Ų5175%0.75226%0.259SS*.Hα-helixtrans-68-40.4178.8-173.2177.2-179.2178.70112.6N670 V671N670-K674 VanDerWaalsContact O-CB 3.28Å; N670-K674 WeakPolarHBondContact O-CB 3.4Å; N670-K674 PolarHBondContact O-N 3.47Å; N670-K674 VanDerWaalsContact O-N 3.15Å; V671-K674 PolarHBondContact O-N 3.15Å
675E91.3Very high92.5Very high130 Ų13055.5 Ų55.561%0.60728%0.283SS*.Hα-helixtrans-74.1-25.2-178.5-71.8173.8170.500113V671 V672V671-E675 HydrophobicContact CG1-CG 4.25Å; V671-E675 WeakPolarHBondContact CG1-OE1 3.4Å; V671-E675 WeakPolarHBondContact O-CB 3.15Å; V671-E675 WeakPolarHBondContact O-CG 3.28Å; V671-E675 PolarHBondContact O-N 3.36Å; V672-E675 PolarHBondContact O-N 2.73Å
676N92.9Very high92.1Very high44 Ų4460 Ų6024%0.23531%0.314CS..THydrogen-bonded Turntrans-117.926.5-171.7-61.7-88.1000113.7L643 V672 L678 A679 I680L643-N676 HydrophobicContact CD1-CB 3.66Å; L643-N676 HydrophobicContact CD2-CB 4.1Å; L643-N676 HydrophobicContact CG-CB 4.47Å; V672-N676 WeakPolarHBondContact O-CB 3.25Å; V672-N676 PolarHBondContact O-N 2.89Å; V672-N676 VanDerWaalsContact O-N 3.12Å; V672-N676 PolarHBondContact O-ND2 3.31Å; N676-L678 VanDerWaalsContact C-N 3.33Å; N676-L678 PolarHBondContact O-N 3.49Å; N676-A679 PolarHBondContact O-N 3.18Å; N676-A679 VanDerWaalsContact O-N 3.12Å; N676-I680 HydrophobicContact CB-CD1 4.15Å; N676-I680 HydrophobicContact CB-CG1 4.45Å; N676-I680 WeakPolarHBondContact O-CD1 3.42Å; N676-I680 WeakPolarHBondContact O-CG1 3.36Å; N676-I680 PolarHBondContact O-N 3.06Å
677Q92Very high91.4Very high115 Ų11561.8 Ų61.854%0.53733%0.332SS..Hα-helixtrans-52.9-43.2-170.4-168.8175.77.500114.1L673 I680 Q681L673-Q677 PolarHBondContact O-N 2.88Å; Q677-I680 PolarHBondContact O-N 2.67Å; Q677-Q681 WeakPolarHBondContact O-CG 3.34Å; Q677-Q681 PolarHBondContact O-N 2.82Å
678L91.2Very high91Very high141 Ų14168.7 Ų68.774%0.73836%0.358SS*.Hα-helixtrans-67-44.1179.3-67.5175.6000112.5N676 I680 Q681 E682N676-L678 VanDerWaalsContact C-N 3.33Å; N676-L678 PolarHBondContact O-N 3.49Å; L678-I680 VanDerWaalsContact C-N 3.28Å; L678-I680 PolarHBondContact O-N 2.78Å; L678-Q681 WeakPolarHBondContact O-CB 3.32Å; L678-Q681 PolarHBondContact O-N 2.95Å; L678-E682 PolarHBondContact O-N 3.47Å
679A92.4Very high90.7Very high36 Ų3670.4 Ų70.430%0.29838%0.376SS..Hα-helixtrans-66.6-32.7178.300000111.6L643 N676 E682 L683L643-A679 HydrophobicContact CD2-CB 3.56Å; N676-A679 PolarHBondContact O-N 3.18Å; N676-A679 VanDerWaalsContact O-N 3.12Å; A679-E682 WeakPolarHBondContact O-CB 3.23Å; A679-E682 PolarHBondContact O-N 2.97Å; A679-L683 WeakPolarHBondContact O-CG 3.35Å; A679-L683 PolarHBondContact O-N 3.33Å
680I92.7Very high90.4Very high5 Ų570.5 Ų70.53%0.02638%0.376CS..Hα-helixtrans-67.7-42173.6-66.9158.9000110.9L643 L673 N676 Q677 L678 E682 L683 I684 I694 L723L643-I680 HydrophobicContact CD1-CG1 4.45Å; L643-I680 HydrophobicContact CD2-CG1 3.93Å; L673-I680 HydrophobicContact CB-CD1 4.17Å; L673-I680 HydrophobicContact CD2-CD1 3.5Å; L673-I680 HydrophobicContact CD2-CG1 4.41Å; L673-I680 HydrophobicContact CG-CD1 4.41Å; L673-I680 WeakPolarHBondContact O-CD1 3.37Å; N676-I680 HydrophobicContact CB-CD1 4.15Å; N676-I680 HydrophobicContact CB-CG1 4.45Å; N676-I680 WeakPolarHBondContact O-CD1 3.42Å; N676-I680 WeakPolarHBondContact O-CG1 3.36Å; N676-I680 PolarHBondContact O-N 3.06Å; Q677-I680 PolarHBondContact O-N 2.67Å; L678-I680 VanDerWaalsContact C-N 3.28Å; L678-I680 PolarHBondContact O-N 2.78Å; I680-E682 VanDerWaalsContact C-N 3.25Å; I680-E682 PolarHBondContact O-N 3.5Å; I680-L683 PolarHBondContact O-N 3.1Å; I680-I684 HydrophobicContact CG2-CD1 3.84Å; I680-I684 HydrophobicContact CG2-CG1 4.49Å; I680-I684 VanDerWaalsContact O-CG1 3.31Å; I680-I684 WeakPolarHBondContact O-CG1 3.44Å; I680-I684 PolarHBondContact O-N 3.26Å; I680-I694 HydrophobicContact CG2-CD1 4.24Å; I680-L723 HydrophobicContact CG2-CD2 4.04Å
681Q91Very high90.2Very high91 Ų9171.7 Ų71.743%0.42538%0.383SS..Hα-helixtrans-60.8-37.6174.1-74.3177.9-9.900111.5Q677 L678 I684 L685Q677-Q681 WeakPolarHBondContact O-CG 3.34Å; Q677-Q681 PolarHBondContact O-N 2.82Å; L678-Q681 WeakPolarHBondContact O-CB 3.32Å; L678-Q681 PolarHBondContact O-N 2.95Å; Q681-I684 CarbonylContact O-C 3.48Å; Q681-I684 PolarHBondContact O-N 2.95Å; Q681-L685 VanDerWaalsContact O-CB 3.28Å; Q681-L685 WeakPolarHBondContact O-CB 3.1Å; Q681-L685 VanDerWaalsContact O-CG 3.29Å; Q681-L685 WeakPolarHBondContact O-CG 3.36Å; Q681-L685 PolarHBondContact O-N 2.78Å
682E91.8Very high90.1Very high136 Ų13673.2 Ų73.264%0.63639%0.393SS*.Hα-helixtrans-63.8-44.2173.7-169.7176.9-174.100112.1L678 A679 I680 I684 L685 S686L678-E682 PolarHBondContact O-N 3.47Å; A679-E682 WeakPolarHBondContact O-CB 3.23Å; A679-E682 PolarHBondContact O-N 2.97Å; I680-E682 VanDerWaalsContact C-N 3.25Å; I680-E682 PolarHBondContact O-N 3.5Å; E682-I684 PolarHBondContact O-N 2.74Å; E682-L685 PolarHBondContact O-N 3Å; E682-S686 WeakPolarHBondContact O-CB 3.25Å; E682-S686 PolarHBondContact O-N 3.11Å; E682-S686 PolarHBondContact O-OG 2.83Å
683L91.6Very high90.1Very high28 Ų2873.6 Ų73.615%0.14740%0.396CS..Hα-helixtrans-61.8-30.3173-67.8175.4000112.8L643 V644 L647 A679 I680 D691 I694L643-L683 HydrophobicContact CD2-CD1 3.84Å; L643-L683 HydrophobicContact CG-CD1 4.34Å; V644-L683 HydrophobicContact CG2-CD1 4.32Å; V644-L683 HydrophobicContact CG2-CD2 4.3Å; L647-L683 HydrophobicContact CD1-CD1 4.18Å; A679-L683 WeakPolarHBondContact O-CG 3.35Å; A679-L683 PolarHBondContact O-N 3.33Å; I680-L683 PolarHBondContact O-N 3.1Å; L683-D691 HydrophobicContact CB-CB 4.09Å; L683-D691 HydrophobicContact CD2-CB 4.2Å; L683-D691 WeakPolarHBondContact O-CB 3.45Å; L683-D691 PolarHBondContact O-N 2.8Å; L683-I694 HydrophobicContact CB-CD1 4.49Å; L683-I694 HydrophobicContact CB-CG1 4Å; L683-I694 HydrophobicContact CD1-CD1 4.33Å; L683-I694 HydrophobicContact CD1-CG1 4.46Å
684I91.4Very high90Very high15 Ų1573.4 Ų73.48%0.07740%0.395CS..Hα-helixtrans-79.2-34.1176.1-68.1167.2000111.4I680 Q681 E682 V690 I694 I726 R730I680-I684 HydrophobicContact CG2-CD1 3.84Å; I680-I684 HydrophobicContact CG2-CG1 4.49Å; I680-I684 VanDerWaalsContact O-CG1 3.31Å; I680-I684 WeakPolarHBondContact O-CG1 3.44Å; I680-I684 PolarHBondContact O-N 3.26Å; Q681-I684 CarbonylContact O-C 3.48Å; Q681-I684 PolarHBondContact O-N 2.95Å; E682-I684 PolarHBondContact O-N 2.74Å; I684-V690 HydrophobicContact CG1-CG1 4.48Å; I684-I694 HydrophobicContact CD1-CG2 4.43Å; I684-I694 HydrophobicContact CG1-CG1 4.45Å; I684-I694 HydrophobicContact CG1-CG2 3.97Å; I684-I726 HydrophobicContact CD1-CD1 4.37Å; I684-I726 HydrophobicContact CD1-CG1 4.4Å; I684-R730 PolarHBondContact O-NH1 3.06Å; I684-R730 PolarHBondContact O-NH2 3.21Å
685L89.5Confident89.9Confident118 Ų11868.1 Ų68.162%0.61837%0.37SS*.Hα-helixtrans-109.8-15.4-167.3-64.8174000115.4Q681 E682 G687Q681-L685 VanDerWaalsContact O-CB 3.28Å; Q681-L685 WeakPolarHBondContact O-CB 3.1Å; Q681-L685 VanDerWaalsContact O-CG 3.29Å; Q681-L685 WeakPolarHBondContact O-CG 3.36Å; Q681-L685 PolarHBondContact O-N 2.78Å; E682-L685 PolarHBondContact O-N 3Å; L685-G687 PolarHBondContact O-N 3.18Å; L685-G687 VanDerWaalsContact O-N 3.13Å
686S84.5Confident89.9Confident93 Ų9365.1 Ų65.165%0.6536%0.356SS*.SBendtrans-66.5-12.9-170.351.10000116.3E682E682-S686 WeakPolarHBondContact O-CB 3.25Å; E682-S686 PolarHBondContact O-N 3.11Å; E682-S686 PolarHBondContact O-OG 2.83Å
687G82.2Confident90Very high38 Ų3863 Ų6339%0.39235%0.345SS..SBendtrans-147.4-177.5179.400000113.8L685 R730L685-G687 PolarHBondContact O-N 3.18Å; L685-G687 VanDerWaalsContact O-N 3.13Å; G687-R730 PolarHBondContact O-NH2 2.69Å
688E83.4Confident90Very high186 Ų18659.4 Ų59.487%0.86933%0.328SS*.SBendtrans-65.1-42.9177.2-69.2-177.6170.200111.9R730E688-R730 WeakPolarHBondContact O-CG 3.27Å; E688-R730 PolarHBondContact O-NE 3.31Å
689A85.3Confident90Very high54 Ų5454.1 Ų54.145%0.44630%0.302SS..SBendtrans-96.9150.8173.900000111.2
690V88.7Confident90Very high2 Ų253.8 Ų53.81%0.01230%0.295CS..PPolyproline II helixtrans-67.3144.1170.7178.90000109.6I684 I694 R695 I726 R730I684-V690 HydrophobicContact CG1-CG1 4.48Å; V690-I694 HydrophobicContact CG1-CB 3.54Å; V690-I694 HydrophobicContact CG1-CG1 4.37Å; V690-I694 HydrophobicContact CG1-CG2 3.55Å; V690-R695 PolarHBondContact O-NH2 3.19Å; V690-I726 HydrophobicContact CG2-CG2 3.66Å; V690-R730 HydrophobicContact CG2-CB 3.78Å; V690-R730 PolarHBondContact N-O 3.34Å
691D90.9Very high90.1Very high48 Ų4853.6 Ų53.626%0.25729%0.294SS..PPolyproline II helixtrans-48.3134174.3-169.8-71000111.2L683 I693 I694 R695L683-D691 HydrophobicContact CB-CB 4.09Å; L683-D691 HydrophobicContact CD2-CB 4.2Å; L683-D691 WeakPolarHBondContact O-CB 3.45Å; L683-D691 PolarHBondContact O-N 2.8Å; D691-I693 PolarHBondContact O-N 3.49Å; D691-I693 VanDerWaalsContact O-N 3.07Å; D691-I693 WeakPolarHBondContact OD1-CG2 3.27Å; D691-I693 PolarHBondContact OD1-N 2.93Å; D691-I694 HydrophobicContact CB-CG1 4.38Å; D691-I694 PolarHBondContact O-N 3.25Å; D691-R695 PolarHBondContact O-N 3.39Å
692P90.3Very high90.1Very high80 Ų8053.2 Ų53.252%0.51929%0.294SS..Hα-helixtrans-48.7-35.4179.6-29.635.6000114.5R695 E696P692-R695 WeakPolarHBondContact O-CB 3.5Å; P692-R695 PolarHBondContact O-N 3.3Å; P692-E696 PolarHBondContact O-N 3.27Å
693I92.1Very high90Very high9 Ų950.9 Ų50.95%0.04629%0.286CS..Hα-helixtrans-68.6-39.1-178.8-167.451.5000112.5V644 L647 F648 V651 D691 R695 E696 L697V644-I693 HydrophobicContact CG1-CG2 4.4Å; L647-I693 HydrophobicContact CB-CD1 4.42Å; L647-I693 HydrophobicContact CB-CG1 3.62Å; L647-I693 HydrophobicContact CD1-CG2 4.08Å; F648-I693 HydrophobicContact CB-CD1 4.03Å; F648-I693 HydrophobicContact CD2-CD1 4.13Å; V651-I693 HydrophobicContact CB-CD1 4.48Å; V651-I693 HydrophobicContact CG2-CD1 4.02Å; D691-I693 PolarHBondContact O-N 3.49Å; D691-I693 VanDerWaalsContact O-N 3.07Å; D691-I693 WeakPolarHBondContact OD1-CG2 3.27Å; D691-I693 PolarHBondContact OD1-N 2.93Å; I693-R695 VanDerWaalsContact C-N 3.29Å; I693-R695 PolarHBondContact O-N 3.04Å; I693-E696 PolarHBondContact O-N 3.41Å; I693-L697 VanDerWaalsContact O-CB 3.29Å; I693-L697 WeakPolarHBondContact O-CB 3.33Å; I693-L697 PolarHBondContact O-N 3.2Å
694I93Very high89.9Confident0 Ų049.7 Ų49.70%028%0.28CS..Hα-helixtrans-68.8-35.8178.4-59.6-63.6000109.7L647 I680 L683 I684 V690 D691 L697 H698 L723 I726L647-I694 HydrophobicContact CD1-CD1 3.82Å; I680-I694 HydrophobicContact CG2-CD1 4.24Å; L683-I694 HydrophobicContact CB-CD1 4.49Å; L683-I694 HydrophobicContact CB-CG1 4Å; L683-I694 HydrophobicContact CD1-CD1 4.33Å; L683-I694 HydrophobicContact CD1-CG1 4.46Å; I684-I694 HydrophobicContact CD1-CG2 4.43Å; I684-I694 HydrophobicContact CG1-CG1 4.45Å; I684-I694 HydrophobicContact CG1-CG2 3.97Å; V690-I694 HydrophobicContact CG1-CB 3.54Å; V690-I694 HydrophobicContact CG1-CG1 4.37Å; V690-I694 HydrophobicContact CG1-CG2 3.55Å; D691-I694 HydrophobicContact CB-CG1 4.38Å; D691-I694 PolarHBondContact O-N 3.25Å; I694-L697 PolarHBondContact O-N 3.24Å; I694-H698 VanDerWaalsContact O-CB 3.27Å; I694-H698 WeakPolarHBondContact O-CB 3.38Å; I694-H698 PolarHBondContact O-N 3.04Å; I694-L723 HydrophobicContact CD1-CD2 4.35Å; I694-L723 HydrophobicContact CG2-CD2 4.45Å; I694-I726 HydrophobicContact CG2-CD1 3.8Å
695R89.3Confident89.8Confident62 Ų6251.5 Ų51.523%0.23429%0.291CS..Hα-helixtrans-63.9-46.5174-175.6-168.7-50.7-169-1.3112.4V690 D691 P692 I693 S699 L731 N734V690-R695 PolarHBondContact O-NH2 3.19Å; D691-R695 PolarHBondContact O-N 3.39Å; P692-R695 WeakPolarHBondContact O-CB 3.5Å; P692-R695 PolarHBondContact O-N 3.3Å; I693-R695 VanDerWaalsContact C-N 3.29Å; I693-R695 PolarHBondContact O-N 3.04Å; R695-S699 PolarHBondContact O-N 3.38Å; R695-S699 VanDerWaalsContact O-N 3.1Å; R695-S699 PolarHBondContact O-OG 3.48Å; R695-L731 HydrophobicContact CB-CD2 4.42Å; R695-L731 WeakPolarHBondContact CD-O 3.39Å; R695-L731 HydrophobicContact CG-CD2 4.37Å; R695-L731 WeakPolarHBondContact CG-O 3.43Å; R695-L731 PolarHBondContact NE-O 3.36Å; R695-N734 WeakPolarHBondContact CD-OD1 3.49Å
696E91.9Very high89.4Confident67 Ų6754.7 Ų54.731%0.31330%0.295SS..Hα-helixtrans-60.3-47.5174.4-75.7-167.2-14000110.7V651 R655 P692 I693 H698 S699 E700V651-E696 HydrophobicContact CG1-CB 4.26Å; R655-E696 IonicContact CZ-OE2 3.22Å; R655-E696 IonicContact NH1-OE2 3.52Å; R655-E696 PolarHBondContact NH1-OE2 2.95Å; R655-E696 VanDerWaalsContact NH1-OE2 3.07Å; R655-E696 IonicContact NH2-OE2 2.69Å; R655-E696 PolarHBondContact NH2-OE2 2.78Å; P692-E696 PolarHBondContact O-N 3.27Å; I693-E696 PolarHBondContact O-N 3.41Å; E696-H698 PolarHBondContact O-N 3.1Å; E696-S699 WeakPolarHBondContact O-CB 3.45Å; E696-S699 PolarHBondContact O-N 2.98Å; E696-E700 WeakPolarHBondContact O-CG 3.19Å; E696-E700 PolarHBondContact O-N 2.95Å
697L94.7Very high89.2Confident0 Ų051.7 Ų51.70%027%0.271CS..Hα-helixtrans-58.4-49.6178.4177.961.6000112.4L647 V651 I654 L669 L673 I693 I694 S699 E700 L701 L723L647-L697 HydrophobicContact CD2-CD2 4.15Å; V651-L697 HydrophobicContact CG2-CB 3.76Å; V651-L697 HydrophobicContact CG2-CD1 3.84Å; V651-L697 HydrophobicContact CG2-CG 4.41Å; I654-L697 HydrophobicContact CD1-CD1 4.25Å; L669-L697 HydrophobicContact CD1-CD1 4.18Å; L669-L697 HydrophobicContact CD1-CD2 4.03Å; L669-L697 HydrophobicContact CD2-CD1 3.68Å; L673-L697 HydrophobicContact CD2-CD2 4.35Å; I693-L697 VanDerWaalsContact O-CB 3.29Å; I693-L697 WeakPolarHBondContact O-CB 3.33Å; I693-L697 PolarHBondContact O-N 3.2Å; I694-L697 PolarHBondContact O-N 3.24Å; L697-S699 PolarHBondContact O-N 2.95Å; L697-E700 PolarHBondContact O-N 3.43Å; L697-L701 HydrophobicContact CD1-CD1 4.04Å; L697-L701 HydrophobicContact CD1-CG 4.01Å; L697-L701 HydrophobicContact CG-CD1 3.91Å; L697-L701 HydrophobicContact CG-CG 4.31Å; L697-L701 WeakPolarHBondContact O-CB 3.42Å; L697-L701 VanDerWaalsContact O-CG 3.26Å; L697-L701 WeakPolarHBondContact O-CG 3.34Å; L697-L701 PolarHBondContact O-N 2.91Å; L697-L723 HydrophobicContact CD2-CD1 4.14Å; L697-L723 HydrophobicContact CD2-CD2 4.14Å; L697-L723 HydrophobicContact CG-CD1 4.3Å
698H92.9Very high88.9Confident38 Ų3854.2 Ų54.218%0.17628%0.279CS..Hα-helixtrans-56.5-42.2177.6179.3-94.9000111.4I694 E696 L701 L702 L731I694-H698 VanDerWaalsContact O-CB 3.27Å; I694-H698 WeakPolarHBondContact O-CB 3.38Å; I694-H698 PolarHBondContact O-N 3.04Å; E696-H698 PolarHBondContact O-N 3.1Å; H698-L701 PolarHBondContact O-N 3.34Å; H698-L702 VanDerWaalsContact CE1-CD1 3.46Å; H698-L702 WeakPolarHBondContact CE1-CD1 3.39Å; H698-L702 WeakPolarHBondContact O-CG 3.41Å; H698-L702 PolarHBondContact O-N 3.25Å; H698-L731 HydrophobicContact CB-CD2 4.41Å
699S90.6Very high88.8Confident30 Ų3046.7 Ų46.721%0.2124%0.244CC..Hα-helixtrans-64.2-44.4178.9-53.20000112.4R695 E696 L697 L702 L703 N734R695-S699 PolarHBondContact O-N 3.38Å; R695-S699 VanDerWaalsContact O-N 3.1Å; R695-S699 PolarHBondContact O-OG 3.48Å; E696-S699 WeakPolarHBondContact O-CB 3.45Å; E696-S699 PolarHBondContact O-N 2.98Å; L697-S699 PolarHBondContact O-N 2.95Å; S699-L702 PolarHBondContact O-N 3.49Å; S699-L703 PolarHBondContact O-N 3Å; S699-N734 PolarHBondContact OG-ND2 2.92Å
700E92.7Very high88.9Confident30 Ų3047.6 Ų47.614%0.1425%0.252CS..Hα-helixtrans-67.9-36.5176.7-64.2-53152.500112.6V651 I654 R655 E696 L697 L703 C704V651-E700 HydrophobicContact CG1-CG 4.05Å; I654-E700 HydrophobicContact CG2-CB 4.04Å; R655-E700 HydrophobicContact CG-CG 4.14Å; R655-E700 IonicContact CZ-OE1 2.8Å; R655-E700 IonicContact NE-OE1 2.64Å; R655-E700 PolarHBondContact NE-OE1 3.4Å; R655-E700 IonicContact NH2-OE1 3.07Å; R655-E700 PolarHBondContact NH2-OE1 2.85Å; E696-E700 WeakPolarHBondContact O-CG 3.19Å; E696-E700 PolarHBondContact O-N 2.95Å; L697-E700 PolarHBondContact O-N 3.43Å; E700-L703 WeakPolarHBondContact O-CB 3.35Å; E700-L703 PolarHBondContact O-N 2.84Å; E700-C704 PolarHBondContact O-N 3Å; E700-C704 PolarHBondContact O-SG 3.01Å
701L94.8Very high89Confident0 Ų050.4 Ų50.40%027%0.269CS..Hα-helixtrans-65.5-40.5176.7-71.3175.8000111.7L666 L669 L697 H698 L703 C704 V705 L720 L723L666-L701 HydrophobicContact CD2-CD2 3.61Å; L669-L701 HydrophobicContact CD2-CD1 4.49Å; L669-L701 HydrophobicContact CD2-CD2 3.96Å; L697-L701 HydrophobicContact CD1-CD1 4.04Å; L697-L701 HydrophobicContact CD1-CG 4.01Å; L697-L701 HydrophobicContact CG-CD1 3.91Å; L697-L701 HydrophobicContact CG-CG 4.31Å; L697-L701 WeakPolarHBondContact O-CB 3.42Å; L697-L701 VanDerWaalsContact O-CG 3.26Å; L697-L701 WeakPolarHBondContact O-CG 3.34Å; L697-L701 PolarHBondContact O-N 2.91Å; H698-L701 PolarHBondContact O-N 3.34Å; L701-L703 VanDerWaalsContact C-N 3.26Å; L701-L703 PolarHBondContact O-N 3.28Å; L701-C704 WeakPolarHBondContact O-CA 3.37Å; L701-C704 WeakPolarHBondContact O-CB 3.18Å; L701-C704 PolarHBondContact O-N 3.39Å; L701-V705 WeakPolarHBondContact O-CG2 3.3Å; L701-V705 PolarHBondContact O-N 2.96Å; L701-L720 HydrophobicContact CB-CD1 4.3Å; L701-L720 HydrophobicContact CB-CD2 3.64Å; L701-L720 HydrophobicContact CB-CG 3.8Å; L701-L720 HydrophobicContact CD1-CD2 3.9Å; L701-L720 HydrophobicContact CD1-CG 4.11Å; L701-L720 HydrophobicContact CG-CD2 4.44Å; L701-L723 HydrophobicContact CD1-CD1 3.7Å
702L91Very high89.1Confident83 Ų8348.1 Ų48.144%0.43526%0.257SS..Hα-helixtrans-63.3-30.9173.3-71179.2000112.9H698 S699 R706 L720H698-L702 VanDerWaalsContact CE1-CD1 3.46Å; H698-L702 WeakPolarHBondContact CE1-CD1 3.39Å; H698-L702 WeakPolarHBondContact O-CG 3.41Å; H698-L702 PolarHBondContact O-N 3.25Å; S699-L702 PolarHBondContact O-N 3.49Å; L702-R706 PolarHBondContact O-NE 3.12Å; L702-L720 HydrophobicContact CD2-CD1 4.3Å
703L88.5Confident89.2Confident87 Ų8748.7 Ų48.746%0.45525%0.251SS..Hα-helixtrans-68.5-39.9169.8-72.7163000111.2S699 E700 L701 R706S699-L703 PolarHBondContact O-N 3Å; E700-L703 WeakPolarHBondContact O-CB 3.35Å; E700-L703 PolarHBondContact O-N 2.84Å; L701-L703 VanDerWaalsContact C-N 3.26Å; L701-L703 PolarHBondContact O-N 3.28Å; L703-R706 PolarHBondContact O-N 2.98Å
704C90.8Very high89.4Confident4 Ų454.1 Ų54.13%0.02728%0.276CS..Hα-helixtrans-68.9-32.4-179.9-68.30000114.2I654 E700 L701 R706 H707 V712 S716I654-C704 WeakPolarHBondContact CG2-SG 3.33Å; E700-C704 PolarHBondContact O-N 3Å; E700-C704 PolarHBondContact O-SG 3.01Å; L701-C704 WeakPolarHBondContact O-CA 3.37Å; L701-C704 WeakPolarHBondContact O-CB 3.18Å; L701-C704 PolarHBondContact O-N 3.39Å; C704-R706 PolarHBondContact O-N 2.96Å; C704-R706 VanDerWaalsContact O-N 3.17Å; C704-H707 WeakPolarHBondContact O-CB 3.46Å; C704-H707 PolarHBondContact O-N 3.34Å; C704-V712 HydrophobicContact CB-CG1 4.14Å; C704-S716 VanDerWaalsContact CB-CB 3.47Å
705V88.3Confident89.5Confident52 Ų5255.6 Ų55.632%0.31528%0.284SS..Hα-helixtrans-60.9-25.4174.1173.90000111.6L701 L720L701-V705 WeakPolarHBondContact O-CG2 3.3Å; L701-V705 PolarHBondContact O-N 2.96Å; V705-L720 HydrophobicContact CG2-CD1 3.53Å
706R81.2Confident89.8Confident185 Ų18552.6 Ų52.670%0.69827%0.273SS*.THydrogen-bonded Turntrans-90.61.5176.7-62-176-73.5170.7-5.9114.1L702 L703 C704L702-R706 PolarHBondContact O-NE 3.12Å; L703-R706 PolarHBondContact O-N 2.98Å; C704-R706 PolarHBondContact O-N 2.96Å; C704-R706 VanDerWaalsContact O-N 3.17Å
707H81.6Confident90Very high30 Ų3052.3 Ų52.314%0.13928%0.278CS..  trans-65.9159.3-177.4-163.9-92.9000112.4K662 C704 D709 V712 K713K662-H707 PolarHBondContact NZ-CD2 3.47Å; K662-H707 PolarHBondContact NZ-NE2 2.71Å; C704-H707 WeakPolarHBondContact O-CB 3.46Å; C704-H707 PolarHBondContact O-N 3.34Å; H707-D709 WeakPolarHBondContact ND1-CB 3.41Å; H707-D709 PolarHBondContact ND1-N 3.3Å; H707-V712 HydrophobicContact CB-CB 4.3Å; H707-V712 HydrophobicContact CB-CG1 3.76Å; H707-K713 WeakPolarHBondContact O-CE 3.25Å
708T74.6Confident90Very high92 Ų9256.3 Ų56.356%0.56430%0.298SS*.SBendtrans-77.1-39.4178.851.10000112.9A710 S890T708-A710 PolarHBondContact O-N 3.49Å; T708-S890 WeakPolarHBondContact CG2-OG 3.33Å
709D82.3Confident90.1Very high27 Ų2754.5 Ų54.514%0.14429%0.29CS..SBendtrans-63.6120.3176.4-173.5-34.6000112.2R663 H707 V711 V712 K713R663-D709 IonicContact CZ-OD2 2.59Å; R663-D709 IonicContact NE-OD2 3.9Å; R663-D709 IonicContact NH1-OD2 2.74Å; R663-D709 PolarHBondContact NH1-OD2 3.23Å; H707-D709 WeakPolarHBondContact ND1-CB 3.41Å; H707-D709 PolarHBondContact ND1-N 3.3Å; D709-V711 VanDerWaalsContact C-N 3.33Å; D709-V711 PolarHBondContact O-N 2.94Å; D709-V711 WeakPolarHBondContact OD1-CA 3.27Å; D709-V711 WeakPolarHBondContact OD1-CB 3.45Å; D709-V711 PolarHBondContact OD1-N 3.34Å; D709-V712 HydrophobicContact CB-CB 4.08Å; D709-V712 HydrophobicContact CB-CG2 3.81Å; D709-V712 PolarHBondContact O-N 3.25Å; D709-V712 PolarHBondContact OD1-N 3.32Å; D709-K713 PolarHBondContact O-N 2.82Å; D709-K713 VanDerWaalsContact O-N 3.12Å
710A86.9Confident90.3Very high73 Ų7354.9 Ų54.960%0.60329%0.289SS*.Hα-helixtrans-62.5-34.1-179.300000113.7T708 K713 Q714T708-A710 PolarHBondContact O-N 3.49Å; A710-K713 PolarHBondContact O-N 3.4Å; A710-Q714 WeakPolarHBondContact O-CB 3.18Å; A710-Q714 PolarHBondContact O-N 3.47Å
711V91.3Very high90.3Very high62 Ų6256.2 Ų56.238%0.37631%0.312SS..Hα-helixtrans-70.7-38.9178.5-177.90000110.2R663 D709 Q714 L715R663-V711 HydrophobicContact CG-CB 4.25Å; R663-V711 HydrophobicContact CG-CG1 3.99Å; D709-V711 VanDerWaalsContact C-N 3.33Å; D709-V711 PolarHBondContact O-N 2.94Å; D709-V711 WeakPolarHBondContact OD1-CA 3.27Å; D709-V711 WeakPolarHBondContact OD1-CB 3.45Å; D709-V711 PolarHBondContact OD1-N 3.34Å; V711-Q714 PolarHBondContact O-N 2.88Å; V711-L715 HydrophobicContact CG1-CD1 3.81Å; V711-L715 HydrophobicContact CG1-CG 4.2Å; V711-L715 WeakPolarHBondContact O-CB 3.33Å; V711-L715 VanDerWaalsContact O-CG 3.32Å; V711-L715 WeakPolarHBondContact O-CG 3.35Å; V711-L715 PolarHBondContact O-N 2.89Å
712V92.2Very high90.1Very high0 Ų058.3 Ų58.30%033%0.329CS..Hα-helixtrans-62.2-44.1174.1174.50000110.6K662 R663 L666 C704 H707 D709 Q714 S716K662-V712 HydrophobicContact CB-CG1 4.28Å; K662-V712 HydrophobicContact CB-CG2 3.98Å; K662-V712 HydrophobicContact CD-CG1 4.25Å; R663-V712 HydrophobicContact CG-CG2 3.71Å; L666-V712 HydrophobicContact CD1-CB 4.46Å; L666-V712 HydrophobicContact CD1-CG1 3.83Å; C704-V712 HydrophobicContact CB-CG1 4.14Å; H707-V712 HydrophobicContact CB-CB 4.3Å; H707-V712 HydrophobicContact CB-CG1 3.76Å; D709-V712 HydrophobicContact CB-CB 4.08Å; D709-V712 HydrophobicContact CB-CG2 3.81Å; D709-V712 PolarHBondContact O-N 3.25Å; D709-V712 PolarHBondContact OD1-N 3.32Å; V712-Q714 PolarHBondContact O-N 2.75Å; V712-S716 WeakPolarHBondContact O-CB 3.4Å; V712-S716 PolarHBondContact O-N 3.28Å; V712-S716 PolarHBondContact O-OG 3.21Å
713K93.3Very high90.2Very high92 Ų9255 Ų5540%0.431%0.312SS..Hα-helixtrans-57.9-50173.8-65.7-173-173.6-179.30111.5H707 D709 A710 S716 S717H707-K713 WeakPolarHBondContact O-CE 3.25Å; D709-K713 PolarHBondContact O-N 2.82Å; D709-K713 VanDerWaalsContact O-N 3.12Å; A710-K713 PolarHBondContact O-N 3.4Å; K713-S716 PolarHBondContact O-N 3Å; K713-S716 PolarHBondContact O-OG 3.45Å; K713-S717 WeakPolarHBondContact O-CB 3.05Å; K713-S717 PolarHBondContact O-N 3.32Å; K713-S717 PolarHBondContact O-OG 2.79Å
714Q95.2Very high90.2Very high123 Ų12352.8 Ų52.858%0.57531%0.31SS*.Hα-helixtrans-61-50.1-178.1-176.2-176.2-0.700111.8A710 V711 V712 S716 S717 I718A710-Q714 WeakPolarHBondContact O-CB 3.18Å; A710-Q714 PolarHBondContact O-N 3.47Å; V711-Q714 PolarHBondContact O-N 2.88Å; V712-Q714 PolarHBondContact O-N 2.75Å; Q714-S716 PolarHBondContact O-N 3.46Å; Q714-S717 PolarHBondContact O-N 3.29Å; Q714-I718 HydrophobicContact CG-CD1 4.27Å; Q714-I718 WeakPolarHBondContact O-CG1 3.07Å; Q714-I718 PolarHBondContact O-N 3.02Å
715L96.1Very high90Very high30 Ų3057.9 Ų57.916%0.15735%0.352CS..Hα-helixtrans-65.3-39.2-177.4-69.1172000112.1R663 L666 A667 N670 V711 I718 S719R663-L715 HydrophobicContact CB-CD1 4.41Å; R663-L715 WeakPolarHBondContact O-CD1 3.28Å; L666-L715 HydrophobicContact CB-CB 3.69Å; L666-L715 HydrophobicContact CB-CD1 4.18Å; L666-L715 HydrophobicContact CD1-CB 4.13Å; A667-L715 HydrophobicContact CB-CD1 4.43Å; N670-L715 PolarHBondContact ND2-O 2.95Å; V711-L715 HydrophobicContact CG1-CD1 3.81Å; V711-L715 HydrophobicContact CG1-CG 4.2Å; V711-L715 WeakPolarHBondContact O-CB 3.33Å; V711-L715 VanDerWaalsContact O-CG 3.32Å; V711-L715 WeakPolarHBondContact O-CG 3.35Å; V711-L715 PolarHBondContact O-N 2.89Å; L715-I718 PolarHBondContact O-N 3.46Å; L715-S719 PolarHBondContact O-N 3.47Å; L715-S719 PolarHBondContact O-OG 3.23Å; L715-S719 VanDerWaalsContact O-OG 3.05Å
716S95.7Very high90Very high0 Ų056.4 Ų56.40%034%0.342CS..Hα-helixtrans-68.4-36.7176.255.60000112.7C704 V712 K713 Q714 I718 S719 L720C704-S716 VanDerWaalsContact CB-CB 3.47Å; V712-S716 WeakPolarHBondContact O-CB 3.4Å; V712-S716 PolarHBondContact O-N 3.28Å; V712-S716 PolarHBondContact O-OG 3.21Å; K713-S716 PolarHBondContact O-N 3Å; K713-S716 PolarHBondContact O-OG 3.45Å; Q714-S716 PolarHBondContact O-N 3.46Å; S716-I718 VanDerWaalsContact C-N 3.33Å; S716-I718 PolarHBondContact O-N 3.17Å; S716-S719 WeakPolarHBondContact O-CB 3.2Å; S716-S719 PolarHBondContact O-N 2.96Å; S716-L720 WeakPolarHBondContact O-CG 3.46Å; S716-L720 PolarHBondContact O-N 3.03Å
717S94.6Very high90.2Very high60 Ų6053.6 Ų53.642%0.4234%0.337SS..Hα-helixtrans-62.3-38.6171.8-65.20000112.4K713 Q714 L720 G721K713-S717 WeakPolarHBondContact O-CB 3.05Å; K713-S717 PolarHBondContact O-N 3.32Å; K713-S717 PolarHBondContact O-OG 2.79Å; Q714-S717 PolarHBondContact O-N 3.29Å; S717-L720 PolarHBondContact O-N 3.36Å; S717-G721 PolarHBondContact O-N 3.33Å
718I95.2Very high90.3Very high84 Ų8457.2 Ų57.243%0.43136%0.363SS..Hα-helixtrans-64.1-42.9173.5-65.3164.9000110.4Q714 L715 S716 L720 G721 A722Q714-I718 HydrophobicContact CG-CD1 4.27Å; Q714-I718 WeakPolarHBondContact O-CG1 3.07Å; Q714-I718 PolarHBondContact O-N 3.02Å; L715-I718 PolarHBondContact O-N 3.46Å; S716-I718 VanDerWaalsContact C-N 3.33Å; S716-I718 PolarHBondContact O-N 3.17Å; I718-L720 PolarHBondContact O-N 3.43Å; I718-G721 PolarHBondContact O-N 2.85Å; I718-A722 PolarHBondContact O-N 2.89Å
719S95.8Very high90.8Very high0 Ų056 Ų560%037%0.369CS..Hα-helixtrans-62.4-42.2177.3-53.70000112.1L669 N670 L715 S716 A722 L723L669-S719 WeakPolarHBondContact CD2-OG 3.38Å; N670-S719 VanDerWaalsContact OD1-CA 3.24Å; N670-S719 WeakPolarHBondContact OD1-CA 3.43Å; N670-S719 WeakPolarHBondContact OD1-CB 3.49Å; N670-S719 PolarHBondContact OD1-N 3.08Å; N670-S719 VanDerWaalsContact OD1-N 3.12Å; N670-S719 PolarHBondContact OD1-OG 3.02Å; L715-S719 PolarHBondContact O-N 3.47Å; L715-S719 PolarHBondContact O-OG 3.23Å; L715-S719 VanDerWaalsContact O-OG 3.05Å; S716-S719 WeakPolarHBondContact O-CB 3.2Å; S716-S719 PolarHBondContact O-N 2.96Å; S719-A722 PolarHBondContact O-N 3.48Å; S719-L723 PolarHBondContact O-N 3.36Å
720L94.2Very high91Very high38 Ų3856.4 Ų56.420%0.19937%0.368CS..Hα-helixtrans-62.1-43173.7-74.7170.6000111.5L701 L702 V705 S716 S717 I718 A722 L723 G724L701-L720 HydrophobicContact CB-CD1 4.3Å; L701-L720 HydrophobicContact CB-CD2 3.64Å; L701-L720 HydrophobicContact CB-CG 3.8Å; L701-L720 HydrophobicContact CD1-CD2 3.9Å; L701-L720 HydrophobicContact CD1-CG 4.11Å; L701-L720 HydrophobicContact CG-CD2 4.44Å; L702-L720 HydrophobicContact CD2-CD1 4.3Å; V705-L720 HydrophobicContact CG2-CD1 3.53Å; S716-L720 WeakPolarHBondContact O-CG 3.46Å; S716-L720 PolarHBondContact O-N 3.03Å; S717-L720 PolarHBondContact O-N 3.36Å; I718-L720 PolarHBondContact O-N 3.43Å; L720-A722 VanDerWaalsContact C-N 3.28Å; L720-A722 PolarHBondContact O-N 3.48Å; L720-L723 PolarHBondContact O-N 3.44Å; L720-G724 PolarHBondContact O-N 3.38Å
721G92.5Very high90.8Very high59 Ų5953.9 Ų53.961%0.60834%0.344SS*.Hα-helixtrans-60.1-37.2174.600000112.9S717 I718 G724S717-G721 PolarHBondContact O-N 3.33Å; I718-G721 PolarHBondContact O-N 2.85Å; G721-G724 PolarHBondContact O-N 3.36Å
722A91.9Very high90Very high44 Ų4452.4 Ų52.436%0.36434%0.342SS..Hα-helixtrans-72.6-32.3177.800000113.6L673 I718 S719 L720 G724L673-A722 HydrophobicContact CB-CB 3.97Å; L673-A722 HydrophobicContact CD1-CB 4.01Å; I718-A722 PolarHBondContact O-N 2.89Å; S719-A722 PolarHBondContact O-N 3.48Å; L720-A722 VanDerWaalsContact C-N 3.28Å; L720-A722 PolarHBondContact O-N 3.48Å; A722-G724 VanDerWaalsContact C-N 3.26Å
723L92.2Very high88.6Confident13 Ų1359.8 Ų59.87%0.06838%0.381CS..Hα-helixtrans-67.2-29.8171.1-70.8177.1000112.1L673 I680 I694 L697 L701 S719 L720L673-L723 HydrophobicContact CD1-CG 4.44Å; L673-L723 HydrophobicContact CD2-CD2 3.86Å; I680-L723 HydrophobicContact CG2-CD2 4.04Å; I694-L723 HydrophobicContact CD1-CD2 4.35Å; I694-L723 HydrophobicContact CG2-CD2 4.45Å; L697-L723 HydrophobicContact CD2-CD1 4.14Å; L697-L723 HydrophobicContact CD2-CD2 4.14Å; L697-L723 HydrophobicContact CG-CD1 4.3Å; L701-L723 HydrophobicContact CD1-CD1 3.7Å; S719-L723 PolarHBondContact O-N 3.36Å; L720-L723 PolarHBondContact O-N 3.44Å
724G88.3Confident86.9Confident40 Ų4060 Ų6041%0.41239%0.387SS..  trans76.8-173.1-177.100000113.1L720 G721 A722 I726L720-G724 PolarHBondContact O-N 3.38Å; G721-G724 PolarHBondContact O-N 3.36Å; A722-G724 VanDerWaalsContact C-N 3.26Å; G724-I726 PolarHBondContact O-N 3.45Å
725A86.4Confident84.6Confident112 Ų11259.1 Ų59.193%0.92639%0.39SS*.  trans-75.9113.7179.500000110.5
726I88.9Confident82.2Confident21 Ų2169.3 Ų69.311%0.10843%0.426CS..  trans-99.1131.3174.5-57.8175.1000108.5I684 V690 I694 G724 P728 L731I684-I726 HydrophobicContact CD1-CD1 4.37Å; I684-I726 HydrophobicContact CD1-CG1 4.4Å; V690-I726 HydrophobicContact CG2-CG2 3.66Å; I694-I726 HydrophobicContact CG2-CD1 3.8Å; G724-I726 PolarHBondContact O-N 3.45Å; I726-P728 WeakPolarHBondContact O-CD 3.4Å; I726-L731 HydrophobicContact CG2-CD1 4.38Å; I726-L731 HydrophobicContact CG2-CD2 3.85Å; I726-L731 HydrophobicContact CG2-CG 3.86Å
727E85.1Confident79.8Confident126 Ų12672.2 Ų72.259%0.58944%0.444SS*.  trans-61.8121.7174.9-174.9177.1-175.200110.9G729 R730E727-G729 VanDerWaalsContact C-N 3.26Å; E727-G729 PolarHBondContact O-N 2.86Å; E727-R730 HydrophobicContact CB-CB 4.47Å; E727-R730 HydrophobicContact CB-CG 3.97Å; E727-R730 HydrophobicContact CG-CG 4.19Å; E727-R730 PolarHBondContact O-N 3.48Å; E727-R730 WeakPolarHBondContact OE2-CD 3.49Å
728P83.7Confident77.3Confident105 Ų10574.5 Ų74.568%0.68245%0.451SS*.Hα-helixtrans-57.9-34.8-176.4-27.435.2000114I726 R730 L731I726-P728 WeakPolarHBondContact O-CD 3.4Å; P728-R730 PolarHBondContact O-N 2.99Å; P728-L731 PolarHBondContact O-N 3.19Å
729G84.4Confident74.7Confident66 Ų6679.3 Ų79.368%0.6847%0.469SS*.Hα-helixtrans-60.4-28.3177.200000113.5E727E727-G729 VanDerWaalsContact C-N 3.26Å; E727-G729 PolarHBondContact O-N 2.86Å
730R86.4Confident72.2Confident37 Ų3782.8 Ų82.814%0.1449%0.494CS..Hα-helixtrans-86.9-18-177.8-56.4-17663.9-137.3-6.2113.5I684 G687 E688 V690 E727 P728 G732I684-R730 PolarHBondContact O-NH1 3.06Å; I684-R730 PolarHBondContact O-NH2 3.21Å; G687-R730 PolarHBondContact O-NH2 2.69Å; E688-R730 WeakPolarHBondContact O-CG 3.27Å; E688-R730 PolarHBondContact O-NE 3.31Å; V690-R730 HydrophobicContact CG2-CB 3.78Å; V690-R730 PolarHBondContact N-O 3.34Å; E727-R730 HydrophobicContact CB-CB 4.47Å; E727-R730 HydrophobicContact CB-CG 3.97Å; E727-R730 HydrophobicContact CG-CG 4.19Å; E727-R730 PolarHBondContact O-N 3.48Å; E727-R730 WeakPolarHBondContact OE2-CD 3.49Å; P728-R730 PolarHBondContact O-N 2.99Å; R730-G732 PolarHBondContact O-N 3.34Å
731L84.5Confident69.9Low19 Ų1984.9 Ų84.910%0.09951%0.508CS..Hα-helixtrans-70-17171.3-69.3171000111.8R695 H698 I726 P728R695-L731 HydrophobicContact CB-CD2 4.42Å; R695-L731 WeakPolarHBondContact CD-O 3.39Å; R695-L731 HydrophobicContact CG-CD2 4.37Å; R695-L731 WeakPolarHBondContact CG-O 3.43Å; R695-L731 PolarHBondContact NE-O 3.36Å; H698-L731 HydrophobicContact CB-CD2 4.41Å; I726-L731 HydrophobicContact CG2-CD1 4.38Å; I726-L731 HydrophobicContact CG2-CD2 3.85Å; I726-L731 HydrophobicContact CG2-CG 3.86Å; P728-L731 PolarHBondContact O-N 3.19Å
732G73.5Confident67.4Low32 Ų3289.4 Ų89.433%0.3352%0.515SS..  trans67.1166-176.300000113.3R730 N734R730-G732 PolarHBondContact O-N 3.34Å; G732-N734 PolarHBondContact O-N 3.3Å
733N63.5Low64.9Low154 Ų15497.8 Ų97.882%0.82454%0.537SS*.  trans-71.1103.4176.3-83-15000110.3V735N733-V735 PolarHBondContact O-N 3.5Å; N733-V735 VanDerWaalsContact O-N 3.1Å
734N56.1Low62.9Low96 Ų96100.7 Ų100.751%0.51356%0.555SS.*  trans-64.8-4.2166.6-82.6-13.5000113.2R695 S699 G732 R736R695-N734 WeakPolarHBondContact CD-OD1 3.49Å; S699-N734 PolarHBondContact OG-ND2 2.92Å; G732-N734 PolarHBondContact O-N 3.3Å; N734-R736 VanDerWaalsContact C-N 3.34Å; N734-R736 PolarHBondContact O-N 3.01Å; N734-R736 VanDerWaalsContact O-N 3.15Å
735V48.5Very low61.5Low105 Ų105103.9 Ų103.964%0.63656%0.562SS**  trans-91.368.2-179.7-167.60000109.8N733 V737N733-V735 PolarHBondContact O-N 3.5Å; N733-V735 VanDerWaalsContact O-N 3.1Å; V735-V737 HydrophobicContact CB-CG2 4.43Å; V735-V737 HydrophobicContact CG1-CB 3.58Å; V735-V737 HydrophobicContact CG1-CG2 3.62Å; V735-V737 PolarHBondContact O-N 3.2Å
736R44.3Very low60.8Low245 Ų245100.5 Ų100.593%0.92553%0.528SS*.  trans-81.949.6136.7-75.4-172.5180178.31108N734 D738N734-R736 VanDerWaalsContact C-N 3.34Å; N734-R736 PolarHBondContact O-N 3.01Å; N734-R736 VanDerWaalsContact O-N 3.15Å; R736-D738 PolarHBondContact O-N 3.23Å
737V46.9Very low60.4Low61 Ų61101 Ų10137%0.3753%0.532SS..  trans-72.1100.4158.6179.60000103V735 K739 M742V735-V737 HydrophobicContact CB-CG2 4.43Å; V735-V737 HydrophobicContact CG1-CB 3.58Å; V735-V737 HydrophobicContact CG1-CG2 3.62Å; V735-V737 PolarHBondContact O-N 3.2Å; V737-K739 PolarHBondContact O-N 3.1Å; V737-M742 HydrophobicContact CG1-CE 4.49Å; V737-M742 HydrophobicContact CG1-CG 3.78Å
738D40.3Very low60.5Low108 Ų10896.3 Ų96.358%0.57851%0.51SS*.  trans-47.4118.7172.7-156.42000106.6R736 S740 V741 M742R736-D738 PolarHBondContact O-N 3.23Å; D738-S740 WeakPolarHBondContact CB-OG 3.14Å; D738-S740 PolarHBondContact O-N 3.21Å; D738-S740 PolarHBondContact OD1-OG 2.98Å; D738-S740 PolarHBondContact OD2-OG 3.2Å; D738-V741 HydrophobicContact CB-CG2 4.08Å; D738-V741 WeakPolarHBondContact O-CA 3.34Å; D738-V741 WeakPolarHBondContact O-CB 3.21Å; D738-V741 PolarHBondContact O-N 3.39Å; D738-M742 PolarHBondContact O-N 3.28Å
739K41.8Very low60.5Low184 Ų18491.5 Ų91.580%0.848%0.48SS*.Hα-helixtrans-60-17.9-176-75.6-178.3176.8179.60111.1V737 V741 M742V737-K739 PolarHBondContact O-N 3.1Å; K739-V741 VanDerWaalsContact C-N 3.31Å; K739-M742 PolarHBondContact O-N 3.42Å
740S43.3Very low60.6Low74 Ų7489 Ų8952%0.51745%0.45SS..Hα-helixtrans-59.8-36.1167.564.70000112.8D738D738-S740 WeakPolarHBondContact CB-OG 3.14Å; D738-S740 PolarHBondContact O-N 3.21Å; D738-S740 PolarHBondContact OD1-OG 2.98Å; D738-S740 PolarHBondContact OD2-OG 3.2Å
741V44.6Very low60.6Low82 Ų8287.5 Ų87.550%0.49745%0.445SS..Hα-helixtrans-82.9-23.3179.1-178.50000112.1D738 K739 R743 T744D738-V741 HydrophobicContact CB-CG2 4.08Å; D738-V741 WeakPolarHBondContact O-CA 3.34Å; D738-V741 WeakPolarHBondContact O-CB 3.21Å; D738-V741 PolarHBondContact O-N 3.39Å; K739-V741 VanDerWaalsContact C-N 3.31Å; V741-R743 PolarHBondContact O-N 2.91Å; V741-T744 WeakPolarHBondContact O-CB 3.26Å; V741-T744 PolarHBondContact O-N 3.2Å; V741-T744 PolarHBondContact O-OG1 3.46Å
742M40Very low60.6Low153 Ų15392.1 Ų92.175%0.75447%0.47SS*.Hα-helixtrans-69.6-21.8170.1-91.2-91.8164.400112.7V737 D738 K739 T744V737-M742 HydrophobicContact CG1-CE 4.49Å; V737-M742 HydrophobicContact CG1-CG 3.78Å; D738-M742 PolarHBondContact O-N 3.28Å; K739-M742 PolarHBondContact O-N 3.42Å; M742-T744 PolarHBondContact O-N 3.3Å
743R40.7Very low60.9Low221 Ų22192.6 Ų92.683%0.83447%0.466SS*.THydrogen-bonded Turntrans-78.18165-72.5-169.2-166.4-173.43.3113.3V741 I745V741-R743 PolarHBondContact O-N 2.91Å; R743-I745 VanDerWaalsContact C-N 3.31Å; R743-I745 PolarHBondContact O-N 2.81Å
744T49.5Very low61.2Low73 Ų7391.3 Ų91.345%0.44846%0.459SS..  trans-58.5103.1170.9-55.50000107.2V741 M742 L746V741-T744 WeakPolarHBondContact O-CB 3.26Å; V741-T744 PolarHBondContact O-N 3.2Å; V741-T744 PolarHBondContact O-OG1 3.46Å; M742-T744 PolarHBondContact O-N 3.3Å; T744-L746 PolarHBondContact O-N 3.31Å; T744-L746 VanDerWaalsContact O-N 3.16Å
745I59.1Low62Low107 Ų10791 Ų9155%0.54947%0.465SS..  trans-28116169.5-61.2159.1000107.8R743 P747R743-I745 VanDerWaalsContact C-N 3.31Å; R743-I745 PolarHBondContact O-N 2.81Å; I745-P747 WeakPolarHBondContact O-CD 3.28Å
746L72.3Confident63.5Low42 Ų4286.3 Ų86.322%0.2244%0.436CS..  trans-49.3111.6170-75152.3000107T744 F748 K950 A954T744-L746 PolarHBondContact O-N 3.31Å; T744-L746 VanDerWaalsContact O-N 3.16Å; L746-F748 WeakPolarHBondContact O-CD1 3.37Å; L746-F748 PolarHBondContact O-N 2.79Å; L746-K950 HydrophobicContact CD1-CB 3.52Å; L746-K950 WeakPolarHBondContact CD1-O 3.44Å; L746-K950 HydrophobicContact CD2-CB 3.97Å; L746-K950 HydrophobicContact CD2-CD 4.26Å; L746-K950 HydrophobicContact CG-CB 4.38Å; L746-A954 HydrophobicContact CD1-CB 4.09Å
747P80.2Confident65.3Low30 Ų3075.7 Ų75.720%0.19540%0.399CS..  trans-68.8115-171.87.2-3.9000108I745 E758 V762 H898I745-P747 WeakPolarHBondContact O-CD 3.28Å; P747-E758 HydrophobicContact CB-CG 4.28Å; P747-V762 HydrophobicContact CB-CB 4.29Å; P747-V762 HydrophobicContact CB-CG2 3.84Å; P747-V762 HydrophobicContact CG-CB 4.29Å; P747-V762 HydrophobicContact CG-CG1 4.32Å; P747-V762 HydrophobicContact CG-CG2 3.66Å; P747-H898 PolarHBondContact O-CE1 2.9Å
748F86.4Confident67Low28 Ų2875 Ų7512%0.12339%0.392CS..  trans-135.2157.7174.777.4-79.8000109.8L746 D750 L901 F905 W951 W958 F961L746-F748 WeakPolarHBondContact O-CD1 3.37Å; L746-F748 PolarHBondContact O-N 2.79Å; F748-D750 HydrophobicContact CE2-CB 4.31Å; F748-L901 HydrophobicContact CB-CD2 3.88Å; F748-L901 HydrophobicContact CD2-CD2 4.36Å; F748-L901 HydrophobicContact CG-CD2 4.4Å; F748-F905 HydrophobicContact CD2-CZ 4.37Å; F748-F905 HydrophobicContact CE2-CZ 4.42Å; F748-W951 AromaticContact CD1-CD1 3.73Å; F748-W951 AromaticContact CD1-NE1 3.58Å; F748-W951 AromaticContact CD2-NE1 3.49Å; F748-W951 AromaticContact CE1-NE1 3.72Å; F748-W951 AromaticContact CE2-NE1 3.61Å; F748-W951 AromaticContact CG-CD1 3.73Å; F748-W951 AromaticContact CG-NE1 3.48Å; F748-W951 AromaticContact CZ-NE1 3.72Å; F748-W958 HydrophobicContact CD1-CH2 4.27Å; F748-W958 HydrophobicContact CD1-CZ3 4.14Å; F748-W958 HydrophobicContact CE1-CE3 4.09Å; F748-W958 AromaticContact CE1-CH2 3.56Å; F748-W958 HydrophobicContact CE1-CH2 3.56Å; F748-W958 AromaticContact CE1-CZ3 3.29Å; F748-W958 HydrophobicContact CE1-CZ3 3.29Å; F748-W958 HydrophobicContact CZ-CE3 4.13Å; F748-W958 HydrophobicContact CZ-CH2 4.39Å; F748-W958 AromaticContact CZ-CZ3 3.75Å; F748-W958 HydrophobicContact CZ-CZ3 3.75Å; F748-F961 HydrophobicContact CE2-CE1 4.22Å; F748-F961 AromaticContact CE2-CE2 3.85Å; F748-F961 HydrophobicContact CE2-CE2 3.85Å; F748-F961 AromaticContact CE2-CZ 3.58Å; F748-F961 HydrophobicContact CE2-CZ 3.58Å; F748-F961 HydrophobicContact CZ-CD2 4.26Å; F748-F961 AromaticContact CZ-CE2 3.45Å; F748-F961 HydrophobicContact CZ-CE2 3.45Å; F748-F961 VanDerWaalsContact CZ-CE2 3.45Å; F748-F961 AromaticContact CZ-CZ 3.67Å; F748-F961 HydrophobicContact CZ-CZ 3.67Å
749A85.2Confident69.3Low5 Ų569.9 Ų69.94%0.04137%0.365CS..  trans-89.2126.1177.300000111F751 N756 F759A749-F751 HydrophobicContact CB-CD2 3.7Å; A749-F751 HydrophobicContact CB-CE1 4.23Å; A749-F751 HydrophobicContact CB-CE2 3.29Å; A749-F751 HydrophobicContact CB-CG 4.34Å; A749-F751 HydrophobicContact CB-CZ 3.59Å; A749-N756 VanDerWaalsContact CA-OD1 3.28Å; A749-N756 WeakPolarHBondContact CA-OD1 3.3Å; A749-F759 HydrophobicContact CB-CD1 3.55Å; A749-F759 HydrophobicContact CB-CD2 4.49Å; A749-F759 HydrophobicContact CB-CE1 3.72Å; A749-F759 HydrophobicContact CB-CG 3.95Å; A749-F759 HydrophobicContact CB-CZ 4.29Å
750D85.2Confident71.6Confident12 Ų1261.1 Ų61.16%0.06433%0.327CS..  trans-100.288.2161.3-174.8-4.3000108.3F748 N752 T753 N756 K960 F961F748-D750 HydrophobicContact CE2-CB 4.31Å; D750-N752 PolarHBondContact O-N 3.06Å; D750-N752 WeakPolarHBondContact OD1-CB 3.31Å; D750-N752 PolarHBondContact OD1-N 3.2Å; D750-T753 HydrophobicContact CB-CG2 4.49Å; D750-T753 PolarHBondContact O-N 3.25Å; D750-T753 PolarHBondContact O-OG1 2.97Å; D750-T753 WeakPolarHBondContact OD2-CG2 3.34Å; D750-N756 PolarHBondContact N-OD1 3.49Å; D750-N756 PolarHBondContact O-ND2 3.2Å; D750-N756 PolarHBondContact O-OD1 2.92Å; D750-K960 IonicContact OD2-NZ 3.54Å; D750-K960 PolarHBondContact OD2-NZ 3.02Å; D750-F961 HydrophobicContact CB-CZ 3.99Å; D750-F961 WeakPolarHBondContact OD2-CZ 3.45Å
751F87.2Confident73.8Confident6 Ų660.3 Ų60.33%0.02631%0.312CS..THydrogen-bonded Turntrans-69.8-8.6-178.4-70.9-72.6000114.1A749 F759 F793 K873 A874 F877 Y878A749-F751 HydrophobicContact CB-CD2 3.7Å; A749-F751 HydrophobicContact CB-CE1 4.23Å; A749-F751 HydrophobicContact CB-CE2 3.29Å; A749-F751 HydrophobicContact CB-CG 4.34Å; A749-F751 HydrophobicContact CB-CZ 3.59Å; F751-F759 HydrophobicContact CZ-CE1 4.38Å; F751-F793 HydrophobicContact CE1-CE1 4.2Å; F751-F793 HydrophobicContact CE1-CZ 4.31Å; F751-K873 HydrophobicContact CB-CB 4.48Å; F751-K873 HydrophobicContact CD1-CB 4.46Å; F751-K873 HydrophobicContact CD1-CD 4.39Å; F751-K873 HydrophobicContact CD1-CG 4.02Å; F751-A874 HydrophobicContact CB-CB 4.29Å; F751-A874 HydrophobicContact CD1-CB 4.38Å; F751-A874 HydrophobicContact CD2-CB 3.31Å; F751-A874 HydrophobicContact CE2-CB 3.57Å; F751-A874 HydrophobicContact CG-CB 3.75Å; F751-A874 HydrophobicContact CZ-CB 4.22Å; F751-F877 HydrophobicContact CE1-CB 3.89Å; F751-F877 HydrophobicContact CE1-CD1 4.23Å; F751-F877 HydrophobicContact CE1-CG 4.07Å; F751-F877 HydrophobicContact CZ-CB 4Å; F751-F877 AromaticContact CZ-CD1 3.74Å; F751-F877 HydrophobicContact CZ-CD1 3.74Å; F751-F877 HydrophobicContact CZ-CG 4.03Å; F751-Y878 AromaticContact CE2-CE2 3.81Å; F751-Y878 HydrophobicContact CE2-CE2 3.81Å; F751-Y878 AromaticContact CE2-CZ 3.73Å; F751-Y878 HydrophobicContact CZ-CE2 4.37Å
752N84Confident76Confident116 Ų11657.7 Ų57.762%0.6230%0.297SS*.THydrogen-bonded Turntrans-74.9-18.5169.3-61.9-51.8000111.8D750 H871D750-N752 PolarHBondContact O-N 3.06Å; D750-N752 WeakPolarHBondContact OD1-CB 3.31Å; D750-N752 PolarHBondContact OD1-N 3.2Å; N752-H871 PolarHBondContact OD1-NE2 3.08Å
753T79.5Confident78.5Confident42 Ų4250.4 Ų50.426%0.25826%0.261SS..SBendtrans-106.2163175.970.20000111.4D750 S755 N756 K873D750-T753 HydrophobicContact CB-CG2 4.49Å; D750-T753 PolarHBondContact O-N 3.25Å; D750-T753 PolarHBondContact O-OG1 2.97Å; D750-T753 WeakPolarHBondContact OD2-CG2 3.34Å; T753-S755 PolarHBondContact OG1-OG 3.22Å; T753-N756 PolarHBondContact O-ND2 3.04Å; T753-K873 PolarHBondContact O-NZ 2.97Å; T753-K873 VanDerWaalsContact O-NZ 3.1Å
754D71Confident81Confident127 Ų12739.9 Ų39.968%0.67922%0.221SC*.SBendtrans-86.5-14.7168.9-73.7-32.8000112.6N756 K873D754-N756 PolarHBondContact O-N 3.37Å; D754-K873 IonicContact OD1-NZ 3.82Å; D754-K873 PolarHBondContact OD1-NZ 3.02Å
755S72.5Confident83Confident90 Ų9038.1 Ų38.163%0.62921%0.208SC*.  trans-87.687.6-178.659.30000112.5T753T753-S755 PolarHBondContact OG1-OG 3.22Å
756N80.5Confident84.5Confident6 Ų634.5 Ų34.53%0.03219%0.189CC..  trans-120.626.3175.9-74.3-69.4000112.7A749 D750 T753 D754 E758 F759 A760 F794A749-N756 VanDerWaalsContact CA-OD1 3.28Å; A749-N756 WeakPolarHBondContact CA-OD1 3.3Å; D750-N756 PolarHBondContact N-OD1 3.49Å; D750-N756 PolarHBondContact O-ND2 3.2Å; D750-N756 PolarHBondContact O-OD1 2.92Å; T753-N756 PolarHBondContact O-ND2 3.04Å; D754-N756 PolarHBondContact O-N 3.37Å; N756-E758 PolarHBondContact O-N 2.91Å; N756-F759 PolarHBondContact O-N 2.81Å; N756-A760 VanDerWaalsContact O-CB 3.29Å; N756-A760 WeakPolarHBondContact O-CB 3.23Å; N756-A760 PolarHBondContact O-N 3.23Å; N756-F794 HydrophobicContact CB-CE1 3.69Å; N756-F794 HydrophobicContact CB-CZ 4.3Å
757S80.6Confident85.5Confident22 Ų2232.5 Ų32.515%0.15418%0.179CC..Hα-helixtrans-56.8-46.7-174.558.40000112.2F759 A760 R761 L810S757-F759 PolarHBondContact O-N 3.37Å; S757-A760 WeakPolarHBondContact O-CB 3.3Å; S757-A760 PolarHBondContact O-N 3.31Å; S757-R761 VanDerWaalsContact O-CB 3.29Å; S757-R761 WeakPolarHBondContact O-CB 3.47Å; S757-R761 PolarHBondContact O-N 3.28Å; S757-L810 WeakPolarHBondContact O-CD1 3.3Å
758E83.4Confident86Confident46 Ų4631.2 Ų31.222%0.21517%0.171CC..Hα-helixtrans-65.3-42.4-176.8-17854.3-157.600112.7P747 N756 R761 V762P747-E758 HydrophobicContact CB-CG 4.28Å; N756-E758 PolarHBondContact O-N 2.91Å; E758-R761 WeakPolarHBondContact O-CB 3.41Å; E758-R761 PolarHBondContact O-N 3.41Å; E758-R761 IonicContact OE1-CZ 3.67Å; E758-R761 IonicContact OE1-NE 3.93Å; E758-R761 PolarHBondContact OE1-NE 2.84Å; E758-R761 IonicContact OE1-NH2 3.76Å; E758-R761 PolarHBondContact OE1-NH2 2.88Å; E758-R761 IonicContact OE2-CZ 3.45Å; E758-R761 IonicContact OE2-NE 2.76Å; E758-R761 PolarHBondContact OE2-NE 3.15Å; E758-R761 IonicContact OE2-NH2 2.7Å; E758-V762 WeakPolarHBondContact O-CG2 3.35Å; E758-V762 PolarHBondContact O-N 2.92Å; E758-V762 VanDerWaalsContact O-N 3.14Å
759F89Confident86Confident2 Ų234.5 Ų34.51%0.00919%0.185CC..Hα-helixtrans-64.9-45.3173.6172.7-109.2000111.7A749 F751 N756 S757 R761 V762 V763 F877 Y878 H898A749-F759 HydrophobicContact CB-CD1 3.55Å; A749-F759 HydrophobicContact CB-CD2 4.49Å; A749-F759 HydrophobicContact CB-CE1 3.72Å; A749-F759 HydrophobicContact CB-CG 3.95Å; A749-F759 HydrophobicContact CB-CZ 4.29Å; F751-F759 HydrophobicContact CZ-CE1 4.38Å; N756-F759 PolarHBondContact O-N 2.81Å; S757-F759 PolarHBondContact O-N 3.37Å; F759-R761 VanDerWaalsContact C-N 3.27Å; F759-R761 PolarHBondContact O-N 3.24Å; F759-V762 PolarHBondContact O-N 3.22Å; F759-V763 HydrophobicContact CD1-CG2 4.34Å; F759-V763 HydrophobicContact CD2-CG2 4.18Å; F759-V763 HydrophobicContact CE1-CG2 3.92Å; F759-V763 HydrophobicContact CE2-CG2 3.71Å; F759-V763 HydrophobicContact CG-CG2 4.49Å; F759-V763 HydrophobicContact CZ-CG2 3.58Å; F759-V763 WeakPolarHBondContact O-CG2 3.39Å; F759-V763 PolarHBondContact O-N 2.99Å; F759-F877 HydrophobicContact CE1-CD1 4.15Å; F759-F877 AromaticContact CE1-CE1 3.42Å; F759-F877 HydrophobicContact CE1-CE1 3.42Å; F759-F877 VanDerWaalsContact CE1-CE1 3.42Å; F759-F877 AromaticContact CE1-CZ 3.92Å; F759-F877 HydrophobicContact CE1-CZ 3.92Å; F759-F877 AromaticContact CZ-CE1 3.87Å; F759-F877 HydrophobicContact CZ-CE1 3.87Å; F759-Y878 HydrophobicContact CZ-CE1 4.18Å; F759-H898 HydrophobicContact CE2-CB 4.3Å; F759-H898 AromaticContact CE2-CD2 3.9Å; F759-H898 AromaticContact CE2-CE1 3.86Å; F759-H898 AromaticContact CE2-CG 3.73Å; F759-H898 AromaticContact CE2-ND1 3.7Å; F759-H898 AromaticContact CE2-NE2 3.97Å
760A89.2Confident86.1Confident0 Ų035.5 Ų35.50%019%0.188CC..Hα-helixtrans-58.8-40.3176.500000111.8N756 S757 V763 I764 F794 L810N756-A760 VanDerWaalsContact O-CB 3.29Å; N756-A760 WeakPolarHBondContact O-CB 3.23Å; N756-A760 PolarHBondContact O-N 3.23Å; S757-A760 WeakPolarHBondContact O-CB 3.3Å; S757-A760 PolarHBondContact O-N 3.31Å; A760-V763 PolarHBondContact O-N 3.45Å; A760-I764 WeakPolarHBondContact O-CB 3.36Å; A760-I764 VanDerWaalsContact O-CG1 3.24Å; A760-I764 WeakPolarHBondContact O-CG1 3.46Å; A760-I764 PolarHBondContact O-N 3.07Å; A760-F794 HydrophobicContact CB-CD1 4.36Å; A760-F794 HydrophobicContact CB-CD2 3.5Å; A760-F794 VanDerWaalsContact CB-CD2 3.5Å; A760-F794 HydrophobicContact CB-CE1 4.21Å; A760-F794 HydrophobicContact CB-CE2 3.29Å; A760-F794 HydrophobicContact CB-CG 4.05Å; A760-F794 HydrophobicContact CB-CZ 3.69Å; A760-L810 HydrophobicContact CB-CD1 3.86Å; A760-L810 HydrophobicContact CB-CD2 3.63Å; A760-L810 HydrophobicContact CB-CG 4.41Å
761R89.6Confident86.3Confident56 Ų5635.2 Ų35.221%0.21119%0.186CC..Hα-helixtrans-59.2-48.4176.9-173.4-170.272.776.31.5110.7S757 E758 F759 I764 I765 L810 E813 L814S757-R761 VanDerWaalsContact O-CB 3.29Å; S757-R761 WeakPolarHBondContact O-CB 3.47Å; S757-R761 PolarHBondContact O-N 3.28Å; E758-R761 WeakPolarHBondContact O-CB 3.41Å; E758-R761 PolarHBondContact O-N 3.41Å; E758-R761 IonicContact OE1-CZ 3.67Å; E758-R761 IonicContact OE1-NE 3.93Å; E758-R761 PolarHBondContact OE1-NE 2.84Å; E758-R761 IonicContact OE1-NH2 3.76Å; E758-R761 PolarHBondContact OE1-NH2 2.88Å; E758-R761 IonicContact OE2-CZ 3.45Å; E758-R761 IonicContact OE2-NE 2.76Å; E758-R761 PolarHBondContact OE2-NE 3.15Å; E758-R761 IonicContact OE2-NH2 2.7Å; F759-R761 VanDerWaalsContact C-N 3.27Å; F759-R761 PolarHBondContact O-N 3.24Å; R761-I764 PolarHBondContact O-N 2.83Å; R761-I765 HydrophobicContact CG-CD1 3.94Å; R761-I765 WeakPolarHBondContact O-CB 3.25Å; R761-I765 VanDerWaalsContact O-CG1 3.23Å; R761-I765 WeakPolarHBondContact O-CG1 3.2Å; R761-I765 PolarHBondContact O-N 3.42Å; R761-L810 HydrophobicContact CB-CD1 3.84Å; R761-E813 HydrophobicContact CG-CB 4.41Å; R761-L814 HydrophobicContact CG-CD2 4.04Å
762V90.7Very high86.1Confident28 Ų2836.7 Ų36.717%0.1720%0.198CC..Hα-helixtrans-67-41.9179.4176.20000111.8P747 E758 F759 I764 I765 E766 F894P747-V762 HydrophobicContact CB-CB 4.29Å; P747-V762 HydrophobicContact CB-CG2 3.84Å; P747-V762 HydrophobicContact CG-CB 4.29Å; P747-V762 HydrophobicContact CG-CG1 4.32Å; P747-V762 HydrophobicContact CG-CG2 3.66Å; E758-V762 WeakPolarHBondContact O-CG2 3.35Å; E758-V762 PolarHBondContact O-N 2.92Å; E758-V762 VanDerWaalsContact O-N 3.14Å; F759-V762 PolarHBondContact O-N 3.22Å; V762-I764 PolarHBondContact O-N 3Å; V762-I765 PolarHBondContact O-N 3.15Å; V762-E766 WeakPolarHBondContact O-CB 3.38Å; V762-E766 PolarHBondContact O-N 2.8Å; V762-F894 HydrophobicContact CG1-CE2 3.68Å; V762-F894 HydrophobicContact CG1-CZ 3.87Å
763V93.3Very high85.8Confident0 Ų033 Ų330%018%0.181CC..Hα-helixtrans-59.8-45.9174.6173.30000111.1F759 A760 E766 L767 F877 V881 F894F759-V763 HydrophobicContact CD1-CG2 4.34Å; F759-V763 HydrophobicContact CD2-CG2 4.18Å; F759-V763 HydrophobicContact CE1-CG2 3.92Å; F759-V763 HydrophobicContact CE2-CG2 3.71Å; F759-V763 HydrophobicContact CG-CG2 4.49Å; F759-V763 HydrophobicContact CZ-CG2 3.58Å; F759-V763 WeakPolarHBondContact O-CG2 3.39Å; F759-V763 PolarHBondContact O-N 2.99Å; A760-V763 PolarHBondContact O-N 3.45Å; V763-E766 PolarHBondContact O-N 3.07Å; V763-L767 HydrophobicContact CG1-CD1 3.8Å; V763-L767 HydrophobicContact CG1-CG 4.32Å; V763-L767 WeakPolarHBondContact O-CB 3.46Å; V763-L767 VanDerWaalsContact O-CG 3.24Å; V763-L767 WeakPolarHBondContact O-CG 3.26Å; V763-L767 PolarHBondContact O-N 3.47Å; V763-F877 HydrophobicContact CG1-CZ 4.25Å; V763-F877 HydrophobicContact CG2-CZ 4.42Å; V763-V881 HydrophobicContact CG1-CG1 4.4Å; V763-F894 HydrophobicContact CG2-CE1 4.03Å; V763-F894 HydrophobicContact CG2-CZ 4.06Å
764I92.9Very high86Confident0 Ų031 Ų310%017%0.169CC..Hα-helixtrans-65.4-43.7179.4-70.7168.9000111.2A760 R761 V762 E766 L767 A768 T790 L791 L810 L814 V818 I822A760-I764 WeakPolarHBondContact O-CB 3.36Å; A760-I764 VanDerWaalsContact O-CG1 3.24Å; A760-I764 WeakPolarHBondContact O-CG1 3.46Å; A760-I764 PolarHBondContact O-N 3.07Å; R761-I764 PolarHBondContact O-N 2.83Å; V762-I764 PolarHBondContact O-N 3Å; I764-E766 VanDerWaalsContact C-N 3.3Å; I764-E766 PolarHBondContact O-N 3.3Å; I764-L767 PolarHBondContact O-N 3.28Å; I764-A768 VanDerWaalsContact O-CB 3.22Å; I764-A768 WeakPolarHBondContact O-CB 3.39Å; I764-A768 PolarHBondContact O-N 2.94Å; I764-T790 HydrophobicContact CD1-CG2 4.09Å; I764-T790 HydrophobicContact CG1-CG2 3.78Å; I764-L791 HydrophobicContact CD1-CD2 3.89Å; I764-L810 HydrophobicContact CD1-CD1 4.4Å; I764-L810 HydrophobicContact CD1-CD2 4.15Å; I764-L814 HydrophobicContact CB-CD2 4.05Å; I764-L814 HydrophobicContact CD1-CD1 4.32Å; I764-L814 HydrophobicContact CG2-CD1 4.26Å; I764-L814 HydrophobicContact CG2-CD2 3.7Å; I764-V818 HydrophobicContact CG2-CG1 3.93Å; I764-I822 HydrophobicContact CG2-CD1 3.6Å
765I91Very high86.2Confident35 Ų3528.5 Ų28.518%0.17916%0.161CC..Hα-helixtrans-61.3-43.3177-72.1167.6000110.3R761 V762 A768 K769 L814 P815 V818R761-I765 HydrophobicContact CG-CD1 3.94Å; R761-I765 WeakPolarHBondContact O-CB 3.25Å; R761-I765 VanDerWaalsContact O-CG1 3.23Å; R761-I765 WeakPolarHBondContact O-CG1 3.2Å; R761-I765 PolarHBondContact O-N 3.42Å; V762-I765 PolarHBondContact O-N 3.15Å; I765-A768 PolarHBondContact O-N 3.39Å; I765-K769 WeakPolarHBondContact O-CG 3.17Å; I765-K769 PolarHBondContact O-N 3.31Å; I765-L814 HydrophobicContact CG1-CD2 4.33Å; I765-P815 HydrophobicContact CD1-CG 4.01Å; I765-P815 HydrophobicContact CG1-CG 4.31Å; I765-V818 HydrophobicContact CG1-CG2 4.49Å
766E90.8Very high86.5Confident31 Ų3126.3 Ų26.315%0.14514%0.142CC..Hα-helixtrans-64.9-47.3178.8-16760.7-15600111.1V762 V763 I764 A768 K769 Y770 F891 F894V762-E766 WeakPolarHBondContact O-CB 3.38Å; V762-E766 PolarHBondContact O-N 2.8Å; V763-E766 PolarHBondContact O-N 3.07Å; I764-E766 VanDerWaalsContact C-N 3.3Å; I764-E766 PolarHBondContact O-N 3.3Å; E766-A768 VanDerWaalsContact C-N 3.29Å; E766-A768 PolarHBondContact O-N 2.97Å; E766-K769 WeakPolarHBondContact O-CB 3.19Å; E766-K769 PolarHBondContact O-N 3.48Å; E766-K769 WeakPolarHBondContact OE2-CE 3.42Å; E766-K769 IonicContact OE2-NZ 3.42Å; E766-K769 PolarHBondContact OE2-NZ 3.11Å; E766-Y770 HydrophobicContact CG-CE2 4.06Å; E766-Y770 WeakPolarHBondContact O-CD2 3.19Å; E766-F891 HydrophobicContact CB-CE2 4.17Å; E766-F891 HydrophobicContact CG-CD2 4.1Å; E766-F891 HydrophobicContact CG-CE2 3.83Å; E766-F894 HydrophobicContact CB-CD1 4.33Å; E766-F894 HydrophobicContact CB-CD2 4.49Å; E766-F894 HydrophobicContact CB-CE1 4.14Å; E766-F894 HydrophobicContact CB-CE2 4.31Å; E766-F894 HydrophobicContact CB-CZ 4.13Å; E766-F894 HydrophobicContact CG-CB 4.28Å; E766-F894 HydrophobicContact CG-CD1 3.86Å; E766-F894 HydrophobicContact CG-CD2 3.96Å; E766-F894 HydrophobicContact CG-CE1 4.17Å; E766-F894 HydrophobicContact CG-CE2 4.28Å; E766-F894 HydrophobicContact CG-CG 3.75Å; E766-F894 HydrophobicContact CG-CZ 4.38Å
767L93.4Very high86.7Confident0 Ų026 Ų260%014%0.141CC..Hα-helixtrans-60.3-36.6174.5-70.2171.1000112.8V763 I764 K769 Y770 L771 A786 I787 I884 F891V763-L767 HydrophobicContact CG1-CD1 3.8Å; V763-L767 HydrophobicContact CG1-CG 4.32Å; V763-L767 WeakPolarHBondContact O-CB 3.46Å; V763-L767 VanDerWaalsContact O-CG 3.24Å; V763-L767 WeakPolarHBondContact O-CG 3.26Å; V763-L767 PolarHBondContact O-N 3.47Å; I764-L767 PolarHBondContact O-N 3.28Å; L767-K769 VanDerWaalsContact C-N 3.27Å; L767-K769 PolarHBondContact O-N 2.77Å; L767-Y770 PolarHBondContact O-N 3.37Å; L767-L771 PolarHBondContact O-N 2.93Å; L767-A786 HydrophobicContact CD1-CB 4.13Å; L767-A786 HydrophobicContact CD2-CB 4.06Å; L767-I787 HydrophobicContact CB-CD1 4.03Å; L767-I787 HydrophobicContact CB-CG1 3.62Å; L767-I787 HydrophobicContact CD1-CG1 3.96Å; L767-I787 HydrophobicContact CG-CG1 4.4Å; L767-I884 HydrophobicContact CD2-CD1 3.46Å; L767-I884 VanDerWaalsContact CD2-CD1 3.46Å; L767-F891 HydrophobicContact CD2-CD2 4.05Å; L767-F891 HydrophobicContact CD2-CE1 4.38Å; L767-F891 HydrophobicContact CD2-CE2 3.56Å; L767-F891 HydrophobicContact CD2-CZ 3.75Å; L767-F891 HydrophobicContact CG-CE2 3.88Å; L767-F891 HydrophobicContact CG-CZ 4.09Å
768A90.4Very high86.9Confident4 Ų427.1 Ų27.13%0.03314%0.143CC..Hα-helixtrans-65-29.6178.600000112.8I764 I765 E766 S772 V818 L821I764-A768 VanDerWaalsContact O-CB 3.22Å; I764-A768 WeakPolarHBondContact O-CB 3.39Å; I764-A768 PolarHBondContact O-N 2.94Å; I765-A768 PolarHBondContact O-N 3.39Å; E766-A768 VanDerWaalsContact C-N 3.29Å; E766-A768 PolarHBondContact O-N 2.97Å; A768-S772 WeakPolarHBondContact O-CB 3.49Å; A768-S772 PolarHBondContact O-N 3.34Å; A768-S772 PolarHBondContact O-OG 3.16Å; A768-V818 HydrophobicContact CB-CG1 3.94Å; A768-V818 HydrophobicContact CB-CG2 4.21Å; A768-L821 HydrophobicContact CB-CD2 4.16Å
769K86.8Confident87.1Confident97 Ų9725.3 Ų25.342%0.42214%0.135SC..Hα-helixtrans-61.9-50.1172.3-64.8170.1-173.5169.70110.6I765 E766 L767 L771 S772 S773I765-K769 WeakPolarHBondContact O-CG 3.17Å; I765-K769 PolarHBondContact O-N 3.31Å; E766-K769 WeakPolarHBondContact O-CB 3.19Å; E766-K769 PolarHBondContact O-N 3.48Å; E766-K769 WeakPolarHBondContact OE2-CE 3.42Å; E766-K769 IonicContact OE2-NZ 3.42Å; E766-K769 PolarHBondContact OE2-NZ 3.11Å; L767-K769 VanDerWaalsContact C-N 3.27Å; L767-K769 PolarHBondContact O-N 2.77Å; K769-L771 VanDerWaalsContact C-N 3.35Å; K769-L771 PolarHBondContact O-N 2.98Å; K769-S772 PolarHBondContact O-N 3.38Å; K769-S773 WeakPolarHBondContact O-CB 3.32Å; K769-S773 PolarHBondContact O-N 3.2Å; K769-S773 PolarHBondContact O-OG 3.11Å
770Y88.1Confident87.1Confident26 Ų2626.2 Ų26.210%0.10214%0.138CC..Hα-helixtrans-65-37.7179.1-64.5-77.8000112.7E766 L767 S772 S773 A774 C783 E888 S890 F891E766-Y770 HydrophobicContact CG-CE2 4.06Å; E766-Y770 WeakPolarHBondContact O-CD2 3.19Å; L767-Y770 PolarHBondContact O-N 3.37Å; Y770-S772 VanDerWaalsContact C-N 3.32Å; Y770-S772 PolarHBondContact O-N 2.95Å; Y770-S773 WeakPolarHBondContact CA-OG 3.44Å; Y770-S773 CarbonylContact O-C 3.49Å; Y770-S773 PolarHBondContact O-N 2.85Å; Y770-S773 PolarHBondContact O-OG 3.16Å; Y770-A774 WeakPolarHBondContact O-CA 3.39Å; Y770-A774 WeakPolarHBondContact O-CB 3.32Å; Y770-A774 PolarHBondContact O-N 3.29Å; Y770-C783 VanDerWaalsContact CB-SG 3.57Å; Y770-E888 HydrophobicContact CD1-CG 3.4Å; Y770-E888 HydrophobicContact CE1-CG 3.76Å; Y770-E888 HydrophobicContact CG-CG 4.21Å; Y770-S890 VanDerWaalsContact OH-C 3.25Å; Y770-S890 PolarHBondContact OH-O 3.21Å; Y770-F891 AromaticContact CD2-CD2 3.91Å; Y770-F891 HydrophobicContact CD2-CD2 3.91Å; Y770-F891 HydrophobicContact CE2-CB 4.19Å; Y770-F891 AromaticContact CE2-CD2 3.62Å; Y770-F891 HydrophobicContact CE2-CD2 3.62Å; Y770-F891 HydrophobicContact CE2-CG 4.4Å
771L89.1Confident87.2Confident6 Ų627 Ų273%0.03114%0.143CC..Hα-helixtrans-61-42.8174.1-176.169.6000111.7L767 K769 A774 Y780 C783 I787 L821 F825L767-L771 PolarHBondContact O-N 2.93Å; K769-L771 VanDerWaalsContact C-N 3.35Å; K769-L771 PolarHBondContact O-N 2.98Å; L771-A774 WeakPolarHBondContact O-CB 3.3Å; L771-Y780 HydrophobicContact CD1-CD2 3.53Å; L771-Y780 HydrophobicContact CD1-CE2 3.53Å; L771-Y780 HydrophobicContact CD1-CG 4.08Å; L771-Y780 HydrophobicContact CG-CD2 4.43Å; L771-Y780 HydrophobicContact CG-CE2 4.25Å; L771-C783 HydrophobicContact CB-CB 4.07Å; L771-C783 HydrophobicContact CD1-CB 3.96Å; L771-I787 HydrophobicContact CB-CD1 4.22Å; L771-I787 HydrophobicContact CD2-CD1 3.8Å; L771-L821 HydrophobicContact CB-CD2 4.48Å; L771-L821 HydrophobicContact CD2-CD1 4.06Å; L771-L821 HydrophobicContact CD2-CD2 3.85Å; L771-L821 HydrophobicContact CD2-CG 3.7Å; L771-L821 HydrophobicContact CG-CD2 4.39Å; L771-F825 HydrophobicContact CD1-CZ 4.2Å; L771-F825 HydrophobicContact CD2-CE2 3.42Å; L771-F825 VanDerWaalsContact CD2-CE2 3.42Å; L771-F825 HydrophobicContact CD2-CZ 3.78Å
772S82.4Confident87.2Confident37 Ų3724.8 Ų24.826%0.25914%0.136SC..Hα-helixtrans-71-35.5179.8-560000112.4A768 K769 Y770 L821A768-S772 WeakPolarHBondContact O-CB 3.49Å; A768-S772 PolarHBondContact O-N 3.34Å; A768-S772 PolarHBondContact O-OG 3.16Å; K769-S772 PolarHBondContact O-N 3.38Å; Y770-S772 VanDerWaalsContact C-N 3.32Å; Y770-S772 PolarHBondContact O-N 2.95Å; S772-L821 WeakPolarHBondContact OG-CD2 3.47Å
773S78.5Confident87.3Confident38 Ų3823.4 Ų23.427%0.26613%0.128SC..THydrogen-bonded Turntrans-89.94.517971.30000114K769 Y770 S775K769-S773 WeakPolarHBondContact O-CB 3.32Å; K769-S773 PolarHBondContact O-N 3.2Å; K769-S773 PolarHBondContact O-OG 3.11Å; Y770-S773 WeakPolarHBondContact CA-OG 3.44Å; Y770-S773 CarbonylContact O-C 3.49Å; Y770-S773 PolarHBondContact O-N 2.85Å; Y770-S773 PolarHBondContact O-OG 3.16Å; S773-S775 PolarHBondContact O-N 3.44Å; S773-S775 VanDerWaalsContact O-N 3.09Å
774A82.5Confident87.2Confident1 Ų123.4 Ų23.41%0.00813%0.128CC..  trans-58.9115.3-174.100000111.3R542 Y770 L771 V779 Y780R542-A774 PolarHBondContact NH1-O 3.49Å; Y770-A774 WeakPolarHBondContact O-CA 3.39Å; Y770-A774 WeakPolarHBondContact O-CB 3.32Å; Y770-A774 PolarHBondContact O-N 3.29Å; L771-A774 WeakPolarHBondContact O-CB 3.3Å; A774-V779 HydrophobicContact CB-CB 4.3Å; A774-V779 HydrophobicContact CB-CG1 4.07Å; A774-Y780 HydrophobicContact CB-CD2 4.44Å
775S76.1Confident87.2Confident74 Ų7423.6 Ų23.652%0.51713%0.129SC..  trans-79.4-20.6-17952.10000113.3R542 S773R542-S775 WeakPolarHBondContact CB-O 3.44Å; S773-S775 PolarHBondContact O-N 3.44Å; S773-S775 VanDerWaalsContact O-N 3.09Å
776D78.3Confident87.2Confident44 Ų4421.9 Ų21.924%0.23512%0.12CC..SBendtrans-142.3169.5179.269.346.5000111.9F778 V779 Y780D776-F778 VanDerWaalsContact C-N 3.3Å; D776-F778 PolarHBondContact O-N 3.33Å; D776-F778 WeakPolarHBondContact OD1-CA 3.32Å; D776-F778 WeakPolarHBondContact OD1-CB 3.32Å; D776-F778 PolarHBondContact OD1-N 2.64Å; D776-V779 PolarHBondContact OD1-N 3.36Å; D776-Y780 PolarHBondContact O-N 3.41Å
777G84.2Confident87.3Confident0 Ų020.4 Ų20.40%011%0.113CC..Hα-helixtrans-63.5-29.3-179.900000114.4S539 S543 D781S539-G777 PolarHBondContact O-N 3.16Å; S543-G777 PolarHBondContact OG-N 3.17Å; G777-D781 WeakPolarHBondContact O-CB 3.45Å; G777-D781 PolarHBondContact O-N 2.75Å
778F86.1Confident87.3Confident44 Ų4420.4 Ų20.419%0.19311%0.113CC..Hα-helixtrans-75.1-45.1-177.4-68.4-90.2000112.1D499 E500 R503 D776 Y780 D781 A782D499-F778 HydrophobicContact CB-CD2 4.44Å; D499-F778 HydrophobicContact CB-CE2 3.89Å; D499-F778 HydrophobicContact CB-CZ 4.18Å; D499-F778 WeakPolarHBondContact O-CE2 3.18Å; D499-F778 WeakPolarHBondContact O-CZ 3.22Å; E500-F778 HydrophobicContact CG-CE1 4.36Å; E500-F778 HydrophobicContact CG-CZ 4.36Å; R503-F778 HydrophobicContact CB-CD2 4.49Å; R503-F778 HydrophobicContact CB-CE2 3.52Å; R503-F778 HydrophobicContact CB-CZ 3.9Å; R503-F778 HydrophobicContact CG-CE2 4.01Å; R503-F778 HydrophobicContact CG-CZ 4.39Å; D776-F778 VanDerWaalsContact C-N 3.3Å; D776-F778 PolarHBondContact O-N 3.33Å; D776-F778 WeakPolarHBondContact OD1-CA 3.32Å; D776-F778 WeakPolarHBondContact OD1-CB 3.32Å; D776-F778 PolarHBondContact OD1-N 2.64Å; F778-Y780 VanDerWaalsContact C-N 3.25Å; F778-Y780 PolarHBondContact O-N 2.86Å; F778-D781 PolarHBondContact O-N 2.95Å; F778-A782 VanDerWaalsContact O-CB 3.28Å; F778-A782 WeakPolarHBondContact O-CB 3.45Å; F778-A782 PolarHBondContact O-N 3.29Å
779V86.8Confident87.3Confident8 Ų822.5 Ų22.55%0.04812%0.123CC..Hα-helixtrans-59.9-43.9173.6177.20000109.1A774 D776 D781 A782 C783 E888A774-V779 HydrophobicContact CB-CB 4.3Å; A774-V779 HydrophobicContact CB-CG1 4.07Å; D776-V779 PolarHBondContact OD1-N 3.36Å; V779-D781 PolarHBondContact O-N 2.85Å; V779-A782 PolarHBondContact O-N 3.04Å; V779-C783 WeakPolarHBondContact O-CB 3.33Å; V779-C783 PolarHBondContact O-N 3.45Å; V779-C783 PolarHBondContact O-SG 3.21Å; V779-E888 HydrophobicContact CG1-CB 4.23Å; V779-E888 HydrophobicContact CG1-CG 4.49Å
780Y90.2Very high87.5Confident21 Ų2117.9 Ų17.98%0.08210%0.103CC..Hα-helixtrans-57.7-50175.7-178.4-84.9000112.3S535 K536 L771 A774 D776 F778 C783 S784S535-Y780 VanDerWaalsContact CB-OH 3.24Å; S535-Y780 WeakPolarHBondContact CB-OH 3.28Å; K536-Y780 HydrophobicContact CB-CE1 3.84Å; K536-Y780 HydrophobicContact CD-CD1 3.64Å; K536-Y780 HydrophobicContact CD-CE1 3.69Å; K536-Y780 HydrophobicContact CG-CE1 4.31Å; L771-Y780 HydrophobicContact CD1-CD2 3.53Å; L771-Y780 HydrophobicContact CD1-CE2 3.53Å; L771-Y780 HydrophobicContact CD1-CG 4.08Å; L771-Y780 HydrophobicContact CG-CD2 4.43Å; L771-Y780 HydrophobicContact CG-CE2 4.25Å; A774-Y780 HydrophobicContact CB-CD2 4.44Å; D776-Y780 PolarHBondContact O-N 3.41Å; F778-Y780 VanDerWaalsContact C-N 3.25Å; F778-Y780 PolarHBondContact O-N 2.86Å; Y780-C783 PolarHBondContact O-N 2.9Å; Y780-S784 VanDerWaalsContact CE1-OG 3.32Å; Y780-S784 WeakPolarHBondContact CE1-OG 3.18Å; Y780-S784 VanDerWaalsContact O-CB 3.28Å; Y780-S784 WeakPolarHBondContact O-CB 3.26Å; Y780-S784 PolarHBondContact O-N 3.31Å; Y780-S784 PolarHBondContact O-OG 2.83Å
781D90.5Very high87.5Confident17 Ų1716.7 Ų16.79%0.09110%0.098CC..Hα-helixtrans-68.3-38.4-178-68.1-37.9000112.2I496 K536 G777 F778 V779 S784 C785 Y830I496-D781 WeakPolarHBondContact CG1-OD2 3.28Å; K536-D781 VanDerWaalsContact CD-OD1 3.3Å; K536-D781 WeakPolarHBondContact CD-OD1 3.27Å; K536-D781 WeakPolarHBondContact CE-OD1 3.32Å; K536-D781 IonicContact NZ-OD1 3.94Å; K536-D781 PolarHBondContact NZ-OD1 3.14Å; K536-D781 VanDerWaalsContact NZ-OD1 3.09Å; K536-D781 IonicContact NZ-OD2 2.65Å; K536-D781 PolarHBondContact NZ-OD2 3.4Å; G777-D781 WeakPolarHBondContact O-CB 3.45Å; G777-D781 PolarHBondContact O-N 2.75Å; F778-D781 PolarHBondContact O-N 2.95Å; V779-D781 PolarHBondContact O-N 2.85Å; D781-S784 PolarHBondContact O-N 3.02Å; D781-C785 VanDerWaalsContact O-CB 3.32Å; D781-C785 WeakPolarHBondContact O-CB 3.32Å; D781-C785 PolarHBondContact O-N 3.08Å; D781-Y830 HydrophobicContact CB-CE1 4.15Å; D781-Y830 WeakPolarHBondContact OD1-CE1 3.33Å; D781-Y830 PolarHBondContact OD1-OH 2.89Å
782A89.8Confident87.4Confident9 Ų919.5 Ų19.57%0.07411%0.11CC..Hα-helixtrans-63.4-45.3175.700000111.5F778 V779 C785 A786F778-A782 VanDerWaalsContact O-CB 3.28Å; F778-A782 WeakPolarHBondContact O-CB 3.45Å; F778-A782 PolarHBondContact O-N 3.29Å; V779-A782 PolarHBondContact O-N 3.04Å; A782-C785 PolarHBondContact O-N 3.13Å; A782-A786 WeakPolarHBondContact O-CB 3.37Å; A782-A786 PolarHBondContact O-N 3.25Å
783C91.7Very high87.6Confident0 Ų019.4 Ų19.40%011%0.105CC..Hα-helixtrans-63-46.3174.4-65.60000111.5Y770 L771 V779 Y780 C785 A786 I787 I884Y770-C783 VanDerWaalsContact CB-SG 3.57Å; L771-C783 HydrophobicContact CB-CB 4.07Å; L771-C783 HydrophobicContact CD1-CB 3.96Å; V779-C783 WeakPolarHBondContact O-CB 3.33Å; V779-C783 PolarHBondContact O-N 3.45Å; V779-C783 PolarHBondContact O-SG 3.21Å; Y780-C783 PolarHBondContact O-N 2.9Å; C783-C785 VanDerWaalsContact C-N 3.31Å; C783-C785 PolarHBondContact O-N 2.98Å; C783-A786 PolarHBondContact O-N 2.87Å; C783-I787 WeakPolarHBondContact O-CB 3.29Å; C783-I787 VanDerWaalsContact O-CG1 3.29Å; C783-I787 WeakPolarHBondContact O-CG1 3.5Å; C783-I787 PolarHBondContact O-N 3.14Å; C783-I884 HydrophobicContact CB-CD1 4.43Å; C783-I884 WeakPolarHBondContact SG-CD1 3.17Å
784S92Very high87.9Confident0 Ų017.9 Ų17.90%09%0.093CC..Hα-helixtrans-57.2-45.4178.6-62.50000111.4Y780 D781 Q788 F825Y780-S784 VanDerWaalsContact CE1-OG 3.32Å; Y780-S784 WeakPolarHBondContact CE1-OG 3.18Å; Y780-S784 VanDerWaalsContact O-CB 3.28Å; Y780-S784 WeakPolarHBondContact O-CB 3.26Å; Y780-S784 PolarHBondContact O-N 3.31Å; Y780-S784 PolarHBondContact O-OG 2.83Å; D781-S784 PolarHBondContact O-N 3.02Å; S784-Q788 VanDerWaalsContact O-CB 3.23Å; S784-Q788 WeakPolarHBondContact O-CB 3.34Å; S784-Q788 PolarHBondContact O-N 3.46Å; S784-F825 VanDerWaalsContact OG-CE1 3.25Å; S784-F825 WeakPolarHBondContact OG-CE1 3.23Å; S784-F825 VanDerWaalsContact OG-CZ 3.3Å; S784-F825 WeakPolarHBondContact OG-CZ 3.33Å
785C92.1Very high87.6Confident3 Ų325.2 Ų25.22%0.0212%0.121CC..Hα-helixtrans-67.9-42.2177.7-166.60000111.7D781 A782 C783 I787 Q788 E789 Y830 F832D781-C785 VanDerWaalsContact O-CB 3.32Å; D781-C785 WeakPolarHBondContact O-CB 3.32Å; D781-C785 PolarHBondContact O-N 3.08Å; A782-C785 PolarHBondContact O-N 3.13Å; C783-C785 VanDerWaalsContact C-N 3.31Å; C783-C785 PolarHBondContact O-N 2.98Å; C785-I787 PolarHBondContact O-N 3.24Å; C785-Q788 PolarHBondContact O-N 3.38Å; C785-E789 WeakPolarHBondContact O-CB 3.23Å; C785-E789 VanDerWaalsContact O-CG 3.26Å; C785-E789 WeakPolarHBondContact O-CG 3.41Å; C785-E789 PolarHBondContact O-N 3.21Å; C785-Y830 HydrophobicContact CB-CG 4.37Å; C785-F832 HydrophobicContact CB-CD1 4.19Å; C785-F832 HydrophobicContact CB-CD2 4.29Å; C785-F832 HydrophobicContact CB-CE1 3.65Å; C785-F832 HydrophobicContact CB-CE2 3.75Å; C785-F832 HydrophobicContact CB-CZ 3.42Å; C785-F832 VanDerWaalsContact CB-CZ 3.42Å; C785-F832 WeakPolarHBondContact SG-CD2 3.33Å; C785-F832 WeakPolarHBondContact SG-CE2 3.3Å
786A92.4Very high87.3Confident0 Ų022.2 Ų22.20%010%0.099CC..Hα-helixtrans-62.3-42.2176.200000112.4L767 A782 C783 T790 F832L767-A786 HydrophobicContact CD1-CB 4.13Å; L767-A786 HydrophobicContact CD2-CB 4.06Å; A782-A786 WeakPolarHBondContact O-CB 3.37Å; A782-A786 PolarHBondContact O-N 3.25Å; C783-A786 PolarHBondContact O-N 2.87Å; A786-T790 VanDerWaalsContact O-CB 3.31Å; A786-T790 WeakPolarHBondContact O-CB 3.48Å; A786-T790 PolarHBondContact O-N 3.02Å; A786-T790 PolarHBondContact O-OG1 2.98Å; A786-F832 HydrophobicContact CB-CZ 4.34Å
787I93Very high86.6Confident0 Ų023.1 Ų23.10%010%0.102CC..Hα-helixtrans-64.9-50175.7-68.7165.6000110.3L767 L771 C783 C785 E789 T790 L791 I822 F825L767-I787 HydrophobicContact CB-CD1 4.03Å; L767-I787 HydrophobicContact CB-CG1 3.62Å; L767-I787 HydrophobicContact CD1-CG1 3.96Å; L767-I787 HydrophobicContact CG-CG1 4.4Å; L771-I787 HydrophobicContact CB-CD1 4.22Å; L771-I787 HydrophobicContact CD2-CD1 3.8Å; C783-I787 WeakPolarHBondContact O-CB 3.29Å; C783-I787 VanDerWaalsContact O-CG1 3.29Å; C783-I787 WeakPolarHBondContact O-CG1 3.5Å; C783-I787 PolarHBondContact O-N 3.14Å; C785-I787 PolarHBondContact O-N 3.24Å; I787-E789 VanDerWaalsContact C-N 3.33Å; I787-E789 PolarHBondContact O-N 3.34Å; I787-T790 WeakPolarHBondContact O-CB 3.45Å; I787-T790 PolarHBondContact O-N 3.08Å; I787-L791 HydrophobicContact CG2-CD1 3.9Å; I787-L791 HydrophobicContact CG2-CG 4.37Å; I787-L791 VanDerWaalsContact O-CG 3.31Å; I787-L791 WeakPolarHBondContact O-CG 3.19Å; I787-L791 PolarHBondContact O-N 3.13Å; I787-I822 HydrophobicContact CD1-CG2 4.16Å; I787-I822 HydrophobicContact CG2-CB 3.92Å; I787-I822 HydrophobicContact CG2-CG2 3.88Å; I787-F825 HydrophobicContact CB-CD2 4.37Å; I787-F825 HydrophobicContact CG2-CB 4.48Å; I787-F825 HydrophobicContact CG2-CD2 3.87Å
788Q92.3Very high85.3Confident0 Ų030.2 Ų30.20%014%0.135CC..Hα-helixtrans-55.8-48.8179-177.9-167.4-88.400111.5S784 C785 T790 L791 K792 F825 T828 Y830S784-Q788 VanDerWaalsContact O-CB 3.23Å; S784-Q788 WeakPolarHBondContact O-CB 3.34Å; S784-Q788 PolarHBondContact O-N 3.46Å; C785-Q788 PolarHBondContact O-N 3.38Å; Q788-T790 VanDerWaalsContact C-N 3.31Å; Q788-T790 PolarHBondContact O-N 2.93Å; Q788-L791 PolarHBondContact O-N 2.81Å; Q788-K792 HydrophobicContact CG-CD 4.5Å; Q788-K792 WeakPolarHBondContact O-CG 3.35Å; Q788-K792 PolarHBondContact O-N 2.88Å; Q788-F825 HydrophobicContact CB-CB 4.13Å; Q788-F825 WeakPolarHBondContact CG-O 3.27Å; Q788-T828 PolarHBondContact OE1-O 3.34Å; Q788-T828 PolarHBondContact OE1-OG1 2.9Å; Q788-Y830 PolarHBondContact NE2-O 2.82Å
789E90.3Very high83.8Confident48 Ų4830.4 Ų30.422%0.22414%0.139CC..Hα-helixtrans-70.5-31.3-177.8-64-61.6122.700111.1C785 I787 K792 F793 M880C785-E789 WeakPolarHBondContact O-CB 3.23Å; C785-E789 VanDerWaalsContact O-CG 3.26Å; C785-E789 WeakPolarHBondContact O-CG 3.41Å; C785-E789 PolarHBondContact O-N 3.21Å; I787-E789 VanDerWaalsContact C-N 3.33Å; I787-E789 PolarHBondContact O-N 3.34Å; E789-K792 PolarHBondContact O-N 3.11Å; E789-K792 WeakPolarHBondContact OE1-CD 3.27Å; E789-K792 IonicContact OE1-NZ 3.1Å; E789-K792 PolarHBondContact OE1-NZ 3.14Å; E789-F793 VanDerWaalsContact O-CB 3.3Å; E789-F793 WeakPolarHBondContact O-CB 3.38Å; E789-F793 PolarHBondContact O-N 3.27Å; E789-M880 HydrophobicContact CB-CE 3.56Å; E789-M880 HydrophobicContact CB-CG 3.29Å; E789-M880 HydrophobicContact CB-SD 3.2Å; E789-M880 WeakPolarHBondContact CB-SD 3.14Å; E789-M880 HydrophobicContact CG-CG 4.06Å; E789-M880 HydrophobicContact CG-SD 4.46Å; E789-M880 VanDerWaalsContact O-SD 3.34Å
790T90.8Very high82.3Confident0 Ų038.2 Ų38.20%017%0.167CC..Hα-helixtrans-62.1-47.1171.4-64.50000110.6I764 A786 I787 Q788 K792 F793 F794 F877 M880I764-T790 HydrophobicContact CD1-CG2 4.09Å; I764-T790 HydrophobicContact CG1-CG2 3.78Å; A786-T790 VanDerWaalsContact O-CB 3.31Å; A786-T790 WeakPolarHBondContact O-CB 3.48Å; A786-T790 PolarHBondContact O-N 3.02Å; A786-T790 PolarHBondContact O-OG1 2.98Å; I787-T790 WeakPolarHBondContact O-CB 3.45Å; I787-T790 PolarHBondContact O-N 3.08Å; Q788-T790 VanDerWaalsContact C-N 3.31Å; Q788-T790 PolarHBondContact O-N 2.93Å; T790-K792 VanDerWaalsContact C-N 3.33Å; T790-K792 PolarHBondContact O-N 3.09Å; T790-F793 PolarHBondContact O-N 3.04Å; T790-F794 HydrophobicContact CG2-CD2 3.84Å; T790-F794 HydrophobicContact CG2-CE2 3.85Å; T790-F794 VanDerWaalsContact O-CD2 3.23Å; T790-F794 WeakPolarHBondContact O-CD2 3.4Å; T790-F794 PolarHBondContact O-N 2.7Å; T790-F877 HydrophobicContact CG2-CE2 4.16Å; T790-F877 HydrophobicContact CG2-CZ 4.49Å; T790-M880 VanDerWaalsContact CA-CE 3.49Å; T790-M880 VanDerWaalsContact OG1-CE 3.25Å; T790-M880 WeakPolarHBondContact OG1-CE 3.44Å
791L89Confident80.4Confident0 Ų046.4 Ų46.40%021%0.206CC..Hα-helixtrans-61.6-39.9176.9-68.3169.8000111.9I764 I787 Q788 F794 R795 C796 I822 F825 L826I764-L791 HydrophobicContact CD1-CD2 3.89Å; I787-L791 HydrophobicContact CG2-CD1 3.9Å; I787-L791 HydrophobicContact CG2-CG 4.37Å; I787-L791 VanDerWaalsContact O-CG 3.31Å; I787-L791 WeakPolarHBondContact O-CG 3.19Å; I787-L791 PolarHBondContact O-N 3.13Å; Q788-L791 PolarHBondContact O-N 2.81Å; L791-F794 CarbonylContact O-C 3.54Å; L791-R795 PolarHBondContact O-N 3.18Å; L791-R795 VanDerWaalsContact O-N 3.15Å; L791-C796 HydrophobicContact CB-CB 4.23Å; L791-C796 HydrophobicContact CD2-CB 3.98Å; L791-C796 WeakPolarHBondContact O-CB 3.33Å; L791-C796 PolarHBondContact O-N 2.81Å; L791-I822 HydrophobicContact CD1-CD1 4.41Å; L791-I822 HydrophobicContact CD2-CD1 4.3Å; L791-F825 HydrophobicContact CD1-CB 4.37Å; L791-L826 HydrophobicContact CD1-CD2 3.98Å
792K87.3Confident78.5Confident66 Ų6649.5 Ų49.529%0.28723%0.225SC..Hα-helixtrans-66.5-43174.4-74.5176.9-172.4168.40112.2Q788 E789 T790 F794 R795Q788-K792 HydrophobicContact CG-CD 4.5Å; Q788-K792 WeakPolarHBondContact O-CG 3.35Å; Q788-K792 PolarHBondContact O-N 2.88Å; E789-K792 PolarHBondContact O-N 3.11Å; E789-K792 WeakPolarHBondContact OE1-CD 3.27Å; E789-K792 IonicContact OE1-NZ 3.1Å; E789-K792 PolarHBondContact OE1-NZ 3.14Å; T790-K792 VanDerWaalsContact C-N 3.33Å; T790-K792 PolarHBondContact O-N 3.09Å; K792-F794 VanDerWaalsContact C-N 3.29Å; K792-F794 PolarHBondContact O-N 3.36Å; K792-R795 PolarHBondContact O-N 3.34Å
793F86.8Confident76.7Confident35 Ų3553.3 Ų53.315%0.15425%0.252CS..Hα-helixtrans-59.5-42.6179.9-172.7-88.3000111.3F751 E789 T790 R795 K873 R876 F877 M880F751-F793 HydrophobicContact CE1-CE1 4.2Å; F751-F793 HydrophobicContact CE1-CZ 4.31Å; E789-F793 VanDerWaalsContact O-CB 3.3Å; E789-F793 WeakPolarHBondContact O-CB 3.38Å; E789-F793 PolarHBondContact O-N 3.27Å; T790-F793 PolarHBondContact O-N 3.04Å; F793-R795 VanDerWaalsContact C-N 3.28Å; F793-R795 PolarHBondContact O-N 3.06Å; F793-K873 HydrophobicContact CE1-CG 4.31Å; F793-K873 HydrophobicContact CE2-CG 4.42Å; F793-K873 HydrophobicContact CZ-CG 3.57Å; F793-K873 WeakPolarHBondContact CZ-O 3.09Å; F793-R876 HydrophobicContact CE2-CB 4.36Å; F793-R876 HydrophobicContact CE2-CG 4.18Å; F793-F877 HydrophobicContact CB-CD2 4.36Å; F793-F877 AromaticContact CD1-CD2 3.6Å; F793-F877 HydrophobicContact CD1-CD2 3.6Å; F793-F877 HydrophobicContact CD1-CE2 4.27Å; F793-F877 HydrophobicContact CD1-CG 4.44Å; F793-F877 HydrophobicContact CD2-CB 4.37Å; F793-F877 HydrophobicContact CD2-CD2 4.21Å; F793-F877 HydrophobicContact CE1-CB 4.05Å; F793-F877 AromaticContact CE1-CD2 3.82Å; F793-F877 HydrophobicContact CE1-CD2 3.82Å; F793-F877 HydrophobicContact CE1-CG 4.23Å; F793-F877 HydrophobicContact CE2-CB 3.83Å; F793-F877 HydrophobicContact CE2-CD2 4.4Å; F793-F877 AromaticContact CG-CD2 3.8Å; F793-F877 HydrophobicContact CG-CD2 3.8Å; F793-F877 HydrophobicContact CZ-CB 3.64Å; F793-F877 HydrophobicContact CZ-CD2 4.2Å; F793-F877 HydrophobicContact CZ-CG 4.32Å; F793-M880 HydrophobicContact CB-SD 4.39Å
794F83.2Confident74.9Confident5 Ų561.2 Ų61.22%0.02229%0.288CS..THydrogen-bonded Turntrans-88.115.7174.5-62.3-65000113.9N756 A760 T790 L791 K792 C796 M806 L810 F877N756-F794 HydrophobicContact CB-CE1 3.69Å; N756-F794 HydrophobicContact CB-CZ 4.3Å; A760-F794 HydrophobicContact CB-CD1 4.36Å; A760-F794 HydrophobicContact CB-CD2 3.5Å; A760-F794 VanDerWaalsContact CB-CD2 3.5Å; A760-F794 HydrophobicContact CB-CE1 4.21Å; A760-F794 HydrophobicContact CB-CE2 3.29Å; A760-F794 HydrophobicContact CB-CG 4.05Å; A760-F794 HydrophobicContact CB-CZ 3.69Å; T790-F794 HydrophobicContact CG2-CD2 3.84Å; T790-F794 HydrophobicContact CG2-CE2 3.85Å; T790-F794 VanDerWaalsContact O-CD2 3.23Å; T790-F794 WeakPolarHBondContact O-CD2 3.4Å; T790-F794 PolarHBondContact O-N 2.7Å; L791-F794 CarbonylContact O-C 3.54Å; K792-F794 VanDerWaalsContact C-N 3.29Å; K792-F794 PolarHBondContact O-N 3.36Å; F794-C796 PolarHBondContact O-N 3.16Å; F794-C796 VanDerWaalsContact O-N 3.08Å; F794-M806 HydrophobicContact CB-CE 3.68Å; F794-M806 HydrophobicContact CD1-CE 3.71Å; F794-M806 HydrophobicContact CD1-SD 3.86Å; F794-M806 HydrophobicContact CG-CE 4.18Å; F794-M806 VanDerWaalsContact O-CE 3.26Å; F794-M806 WeakPolarHBondContact O-CE 3.34Å; F794-L810 HydrophobicContact CB-CD2 4.1Å; F794-L810 HydrophobicContact CD2-CD2 4.44Å; F794-L810 HydrophobicContact CG-CD2 4.4Å; F794-F877 HydrophobicContact CD2-CE2 4.46Å; F794-F877 HydrophobicContact CE2-CD2 4.26Å; F794-F877 AromaticContact CE2-CE2 3.48Å; F794-F877 HydrophobicContact CE2-CE2 3.48Å; F794-F877 VanDerWaalsContact CE2-CE2 3.48Å; F794-F877 AromaticContact CE2-CZ 3.98Å; F794-F877 HydrophobicContact CE2-CZ 3.98Å; F794-F877 HydrophobicContact CZ-CD2 4.3Å; F794-F877 AromaticContact CZ-CE2 3.82Å; F794-F877 HydrophobicContact CZ-CE2 3.82Å; F794-F877 HydrophobicContact CZ-CZ 4.23Å
795R77.4Confident73.6Confident156 Ų15662.1 Ų62.159%0.58929%0.294SS*.THydrogen-bonded Turntrans53.827174.6-56.5-173-177179.71.4116L791 K792 F793 Q797 Q798L791-R795 PolarHBondContact O-N 3.18Å; L791-R795 VanDerWaalsContact O-N 3.15Å; K792-R795 PolarHBondContact O-N 3.34Å; F793-R795 VanDerWaalsContact C-N 3.28Å; F793-R795 PolarHBondContact O-N 3.06Å; R795-Q797 PolarHBondContact O-N 3.3Å; R795-Q798 PolarHBondContact O-N 3.18Å
796C69.9Low72.4Confident10 Ų1064.3 Ų64.37%0.06831%0.305CS..THydrogen-bonded Turntrans-62.3-15.4179.6-64.40000114.5L791 F794 A807 L826L791-C796 HydrophobicContact CB-CB 4.23Å; L791-C796 HydrophobicContact CD2-CB 3.98Å; L791-C796 WeakPolarHBondContact O-CB 3.33Å; L791-C796 PolarHBondContact O-N 2.81Å; F794-C796 PolarHBondContact O-N 3.16Å; F794-C796 VanDerWaalsContact O-N 3.08Å; C796-A807 HydrophobicContact CB-CB 4.44Å; C796-L826 HydrophobicContact CB-CD2 4.41Å
797Q62.6Low71.3Confident64 Ų6464.5 Ų64.530%0.29931%0.306SS..THydrogen-bonded Turntrans-85.1-31.4179-65.4-178.7-18.200113.6R795 L826R795-Q797 PolarHBondContact O-N 3.3Å; Q797-L826 VanDerWaalsContact CD-O 3.31Å; Q797-L826 HydrophobicContact CG-CD2 4.18Å; Q797-L826 PolarHBondContact NE2-O 3.02Å
798Q57.3Low70.4Confident148 Ų14866.8 Ų66.869%0.69232%0.318SS*.THydrogen-bonded Turntrans-91.4-26.7-168.8-68.9177.4-17.300113.1R795R795-Q798 PolarHBondContact O-N 3.18Å
799D54.5Low69.7Low49 Ų4969.4 Ų69.426%0.26233%0.334SS..  trans-106.634.1-160.4-83.8-13.3000113.9E801 T805 A807 N808D799-E801 VanDerWaalsContact C-N 3.28Å; D799-E801 PolarHBondContact O-N 3.2Å; D799-T805 HydrophobicContact CB-CG2 3.61Å; D799-T805 WeakPolarHBondContact CB-OG1 3.09Å; D799-T805 VanDerWaalsContact CG-CG2 3.45Å; D799-T805 PolarHBondContact O-OG1 2.75Å; D799-T805 WeakPolarHBondContact OD2-CG2 3.34Å; D799-A807 HydrophobicContact CB-CB 3.7Å; D799-N808 PolarHBondContact O-ND2 3Å
800R55.4Low69.4Low171 Ų17167.1 Ų67.165%0.64532%0.323SS*.THydrogen-bonded Turntrans-66.6-27-179.8-70.2-172.5178.6-171.90.3113.6
801E50.6Low69.1Low193 Ų19370.4 Ų70.490%0.90234%0.336SS*.THydrogen-bonded Turntrans-93.8-11.1-169.3-67-175.4169.800114.9D799D799-E801 VanDerWaalsContact C-N 3.28Å; D799-E801 PolarHBondContact O-N 3.2Å
802V49.6Very low68.8Low82 Ų8274.1 Ų74.150%0.49736%0.362SS..  trans-113.3112.1-176.3-174.70000109.9H804 T805 N808V802-H804 PolarHBondContact O-N 2.91Å; V802-T805 HydrophobicContact CB-CG2 3.71Å; V802-T805 HydrophobicContact CG1-CG2 4.02Å; V802-T805 PolarHBondContact O-N 3.3Å; V802-T805 PolarHBondContact O-OG1 2.79Å; V802-T805 VanDerWaalsContact O-OG1 3.09Å; V802-N808 PolarHBondContact O-ND2 2.96Å
803S52.8Low68.6Low90 Ų9074.6 Ų74.663%0.62937%0.365SS*.THydrogen-bonded Turntrans-58.4-12.9-173.654.10000115.8
804H53.5Low68.7Low166 Ų16673.1 Ų73.177%0.76936%0.359SS*.THydrogen-bonded Turntrans-114.315.9-174.1-63.2-65.3000114.7V802V802-H804 PolarHBondContact O-N 2.91Å
805T65.8Low68.9Low19 Ų1974.7 Ų74.712%0.11737%0.369CS..SBendtrans-81.6146.3178.155.50000111.3D799 V802 A807 N808 V809D799-T805 HydrophobicContact CB-CG2 3.61Å; D799-T805 WeakPolarHBondContact CB-OG1 3.09Å; D799-T805 VanDerWaalsContact CG-CG2 3.45Å; D799-T805 PolarHBondContact O-OG1 2.75Å; D799-T805 WeakPolarHBondContact OD2-CG2 3.34Å; V802-T805 HydrophobicContact CB-CG2 3.71Å; V802-T805 HydrophobicContact CG1-CG2 4.02Å; V802-T805 PolarHBondContact O-N 3.3Å; V802-T805 PolarHBondContact O-OG1 2.79Å; V802-T805 VanDerWaalsContact O-OG1 3.09Å; T805-A807 PolarHBondContact O-N 3.23Å; T805-A807 VanDerWaalsContact O-N 3.14Å; T805-N808 PolarHBondContact O-N 3.42Å; T805-N808 PolarHBondContact OG1-ND2 3.44Å; T805-V809 PolarHBondContact O-N 3.45Å
806M65.1Low69.1Low49 Ų4971.9 Ų71.924%0.24137%0.371CS..Hα-helixtrans-53-35.2174.1177.4-166.751.900111.4F794 N808 V809 L810F794-M806 HydrophobicContact CB-CE 3.68Å; F794-M806 HydrophobicContact CD1-CE 3.71Å; F794-M806 HydrophobicContact CD1-SD 3.86Å; F794-M806 HydrophobicContact CG-CE 4.18Å; F794-M806 VanDerWaalsContact O-CE 3.26Å; F794-M806 WeakPolarHBondContact O-CE 3.34Å; M806-N808 VanDerWaalsContact C-N 3.34Å; M806-N808 PolarHBondContact O-N 3.13Å; M806-V809 PolarHBondContact O-N 2.75Å; M806-L810 VanDerWaalsContact O-CB 3.29Å; M806-L810 WeakPolarHBondContact O-CB 3.11Å; M806-L810 PolarHBondContact O-N 2.79Å
807A70.6Confident69.7Low3 Ų376.2 Ų76.23%0.02539%0.394CS..Hα-helixtrans-52.4-48.4173.700000113.1C796 D799 T805 W811C796-A807 HydrophobicContact CB-CB 4.44Å; D799-A807 HydrophobicContact CB-CB 3.7Å; T805-A807 PolarHBondContact O-N 3.23Å; T805-A807 VanDerWaalsContact O-N 3.14Å; A807-W811 VanDerWaalsContact O-CB 3.24Å; A807-W811 WeakPolarHBondContact O-CB 3.44Å; A807-W811 PolarHBondContact O-N 3Å
808N74.4Confident70.9Confident48 Ų4873.6 Ų73.626%0.25738%0.382SS..Hα-helixtrans-73.8-36-178.4-78-28.9000112.2D799 V802 T805 M806 W811 S812D799-N808 PolarHBondContact O-ND2 3Å; V802-N808 PolarHBondContact O-ND2 2.96Å; T805-N808 PolarHBondContact O-N 3.42Å; T805-N808 PolarHBondContact OG1-ND2 3.44Å; M806-N808 VanDerWaalsContact C-N 3.34Å; M806-N808 PolarHBondContact O-N 3.13Å; N808-W811 PolarHBondContact O-N 2.94Å; N808-S812 VanDerWaalsContact O-CB 3.25Å; N808-S812 WeakPolarHBondContact O-CB 3.36Å; N808-S812 PolarHBondContact O-N 2.92Å; N808-S812 PolarHBondContact O-OG 3.23Å
809V77.4Confident72.3Confident56 Ų5668.8 Ų68.834%0.33936%0.359SS..Hα-helixtrans-61.8-55.1173.2177.10000109.9T805 M806 W811 S812 E813T805-V809 PolarHBondContact O-N 3.45Å; M806-V809 PolarHBondContact O-N 2.75Å; V809-W811 VanDerWaalsContact C-N 3.33Å; V809-W811 PolarHBondContact O-N 3.47Å; V809-S812 PolarHBondContact O-N 3.38Å; V809-S812 VanDerWaalsContact O-N 3.07Å; V809-S812 PolarHBondContact O-OG 2.98Å; V809-E813 HydrophobicContact CG1-CG 4.49Å; V809-E813 WeakPolarHBondContact CG1-OE1 3.43Å; V809-E813 WeakPolarHBondContact O-CG 3.49Å; V809-E813 PolarHBondContact O-N 3.35Å
810L82.6Confident73.7Confident0 Ų073.2 Ų73.20%038%0.382CS..Hα-helixtrans-55.4-48.3176.6172.557.1000111.3S757 A760 R761 I764 F794 M806 S812 E813 L814S757-L810 WeakPolarHBondContact O-CD1 3.3Å; A760-L810 HydrophobicContact CB-CD1 3.86Å; A760-L810 HydrophobicContact CB-CD2 3.63Å; A760-L810 HydrophobicContact CB-CG 4.41Å; R761-L810 HydrophobicContact CB-CD1 3.84Å; I764-L810 HydrophobicContact CD1-CD1 4.4Å; I764-L810 HydrophobicContact CD1-CD2 4.15Å; F794-L810 HydrophobicContact CB-CD2 4.1Å; F794-L810 HydrophobicContact CD2-CD2 4.44Å; F794-L810 HydrophobicContact CG-CD2 4.4Å; M806-L810 VanDerWaalsContact O-CB 3.29Å; M806-L810 WeakPolarHBondContact O-CB 3.11Å; M806-L810 PolarHBondContact O-N 2.79Å; L810-S812 VanDerWaalsContact C-N 3.34Å; L810-S812 PolarHBondContact O-N 3.38Å; L810-E813 PolarHBondContact O-N 3.31Å; L810-L814 HydrophobicContact CD1-CG 4.48Å; L810-L814 WeakPolarHBondContact O-CG 3.27Å; L810-L814 PolarHBondContact O-N 3.25Å
811W84.7Confident75Confident69 Ų6967 Ų6726%0.26136%0.361SS..Hα-helixtrans-60.2-45.5177.6-167.1-103.1000110.5A807 N808 V809 E813 L814 K819 I822 L826A807-W811 VanDerWaalsContact O-CB 3.24Å; A807-W811 WeakPolarHBondContact O-CB 3.44Å; A807-W811 PolarHBondContact O-N 3Å; N808-W811 PolarHBondContact O-N 2.94Å; V809-W811 VanDerWaalsContact C-N 3.33Å; V809-W811 PolarHBondContact O-N 3.47Å; W811-E813 VanDerWaalsContact C-N 3.3Å; W811-E813 PolarHBondContact O-N 3.24Å; W811-L814 HydrophobicContact CE3-CD1 4.05Å; W811-L814 HydrophobicContact CZ3-CD1 4.43Å; W811-L814 PolarHBondContact O-N 3.39Å; W811-K819 HydrophobicContact CH2-CB 4.43Å; W811-K819 HydrophobicContact CH2-CG 4.49Å; W811-K819 HydrophobicContact CZ2-CB 4.03Å; W811-K819 HydrophobicContact CZ2-CG 4.04Å; W811-K819 WeakPolarHBondContact O-CE 3.33Å; W811-K819 PolarHBondContact O-NZ 3.49Å; W811-I822 HydrophobicContact CH2-CD1 4.47Å; W811-I822 HydrophobicContact CH2-CG1 4.04Å; W811-I822 HydrophobicContact CZ3-CD1 3.9Å; W811-I822 HydrophobicContact CZ3-CG1 3.92Å; W811-L826 HydrophobicContact CH2-CD1 3.82Å; W811-L826 HydrophobicContact CZ2-CD1 4.33Å; W811-L826 HydrophobicContact CZ3-CD1 4.07Å; W811-L826 HydrophobicContact CZ3-CD2 4.43Å
812S83.8Confident76.8Confident77 Ų7757.8 Ų57.854%0.53832%0.318SS..Hα-helixtrans-59.5-38.6179.774.60000113N808 V809 L810 L814 K819N808-S812 VanDerWaalsContact O-CB 3.25Å; N808-S812 WeakPolarHBondContact O-CB 3.36Å; N808-S812 PolarHBondContact O-N 2.92Å; N808-S812 PolarHBondContact O-OG 3.23Å; V809-S812 PolarHBondContact O-N 3.38Å; V809-S812 VanDerWaalsContact O-N 3.07Å; V809-S812 PolarHBondContact O-OG 2.98Å; L810-S812 VanDerWaalsContact C-N 3.34Å; L810-S812 PolarHBondContact O-N 3.38Å; S812-L814 VanDerWaalsContact C-N 3.34Å; S812-L814 PolarHBondContact O-N 2.98Å; S812-K819 PolarHBondContact O-NZ 3.05Å
813E83.7Confident78.6Confident77 Ų7756.5 Ų56.536%0.3631%0.313SS..Hα-helixtrans-75.1-17.7-178.8-67.6171.2171.600114R761 V809 L810 W811R761-E813 HydrophobicContact CG-CB 4.41Å; V809-E813 HydrophobicContact CG1-CG 4.49Å; V809-E813 WeakPolarHBondContact CG1-OE1 3.43Å; V809-E813 WeakPolarHBondContact O-CG 3.49Å; V809-E813 PolarHBondContact O-N 3.35Å; L810-E813 PolarHBondContact O-N 3.31Å; W811-E813 VanDerWaalsContact C-N 3.3Å; W811-E813 PolarHBondContact O-N 3.24Å
814L88Confident80.1Confident4 Ų454.9 Ų54.92%0.02130%0.3CS..SBendtrans-70138.7178.4-73.8169.5000112R761 I764 I765 L810 W811 S812 V818 K819 I822R761-L814 HydrophobicContact CG-CD2 4.04Å; I764-L814 HydrophobicContact CB-CD2 4.05Å; I764-L814 HydrophobicContact CD1-CD1 4.32Å; I764-L814 HydrophobicContact CG2-CD1 4.26Å; I764-L814 HydrophobicContact CG2-CD2 3.7Å; I765-L814 HydrophobicContact CG1-CD2 4.33Å; L810-L814 HydrophobicContact CD1-CG 4.48Å; L810-L814 WeakPolarHBondContact O-CG 3.27Å; L810-L814 PolarHBondContact O-N 3.25Å; W811-L814 HydrophobicContact CE3-CD1 4.05Å; W811-L814 HydrophobicContact CZ3-CD1 4.43Å; W811-L814 PolarHBondContact O-N 3.39Å; S812-L814 VanDerWaalsContact C-N 3.34Å; S812-L814 PolarHBondContact O-N 2.98Å; L814-V818 HydrophobicContact CD2-CG1 4.26Å; L814-K819 HydrophobicContact CB-CG 3.96Å; L814-K819 WeakPolarHBondContact O-CE 3.4Å; L814-K819 PolarHBondContact O-NZ 3.3Å; L814-I822 HydrophobicContact CD1-CD1 3.84Å
815P87.2Confident81.7Confident38 Ų3847.1 Ų47.125%0.24726%0.264CS..  trans-57.3146.7174.2-26.635.3000113I765 N817 V818 K819I765-P815 HydrophobicContact CD1-CG 4.01Å; I765-P815 HydrophobicContact CG1-CG 4.31Å; P815-N817 WeakPolarHBondContact CB-OD1 3.4Å; P815-N817 PolarHBondContact O-N 3.08Å; P815-V818 HydrophobicContact CB-CB 4.34Å; P815-V818 HydrophobicContact CB-CG2 4.08Å; P815-V818 HydrophobicContact CG-CG2 4.22Å; P815-V818 PolarHBondContact O-N 3.11Å; P815-V818 VanDerWaalsContact O-N 3.11Å; P815-K819 PolarHBondContact O-N 3.44Å
816P82.3Confident82.5Confident97 Ų9747.2 Ų47.263%0.6326%0.264SS*.Hα-helixtrans-57.4-40.7-178.3-26.234.5000114.6V818 K819 L820P816-V818 VanDerWaalsContact C-N 3.34Å; P816-V818 PolarHBondContact O-N 3.48Å; P816-K819 PolarHBondContact O-N 3.34Å; P816-L820 WeakPolarHBondContact O-CG 3.42Å; P816-L820 PolarHBondContact O-N 3.06Å; P816-L820 VanDerWaalsContact O-N 3.08Å
817N82.9Confident83.3Confident100 Ų10049.8 Ų49.854%0.53529%0.287SS..Hα-helixtrans-63.3-40.6176.661.2-48.4000111.7P815 L820 L821P815-N817 WeakPolarHBondContact CB-OD1 3.4Å; P815-N817 PolarHBondContact O-N 3.08Å; N817-L820 PolarHBondContact O-N 3.08Å; N817-L821 WeakPolarHBondContact O-CB 3.47Å; N817-L821 PolarHBondContact O-N 2.76Å; N817-L821 VanDerWaalsContact O-N 3.08Å
818V86.3Confident84Confident9 Ų950.8 Ų50.86%0.05529%0.292CS..Hα-helixtrans-67.6-43177.51770000110.6I764 I765 A768 L814 P815 P816 L820 L821 I822I764-V818 HydrophobicContact CG2-CG1 3.93Å; I765-V818 HydrophobicContact CG1-CG2 4.49Å; A768-V818 HydrophobicContact CB-CG1 3.94Å; A768-V818 HydrophobicContact CB-CG2 4.21Å; L814-V818 HydrophobicContact CD2-CG1 4.26Å; P815-V818 HydrophobicContact CB-CB 4.34Å; P815-V818 HydrophobicContact CB-CG2 4.08Å; P815-V818 HydrophobicContact CG-CG2 4.22Å; P815-V818 PolarHBondContact O-N 3.11Å; P815-V818 VanDerWaalsContact O-N 3.11Å; P816-V818 VanDerWaalsContact C-N 3.34Å; P816-V818 PolarHBondContact O-N 3.48Å; V818-L820 PolarHBondContact O-N 3.24Å; V818-L821 PolarHBondContact O-N 2.96Å; V818-I822 HydrophobicContact CG1-CD1 4.25Å; V818-I822 HydrophobicContact CG1-CG2 4.2Å; V818-I822 WeakPolarHBondContact O-CG1 3.2Å; V818-I822 WeakPolarHBondContact O-CG2 3.31Å; V818-I822 PolarHBondContact O-N 2.98Å
819K87.6Confident84.5Confident47 Ų4753.2 Ų53.220%0.20431%0.314CS..Hα-helixtrans-55.1-49.6174.9-75167.9168.3145.70112.1W811 S812 L814 P815 P816 L821 I822 S823W811-K819 HydrophobicContact CH2-CB 4.43Å; W811-K819 HydrophobicContact CH2-CG 4.49Å; W811-K819 HydrophobicContact CZ2-CB 4.03Å; W811-K819 HydrophobicContact CZ2-CG 4.04Å; W811-K819 WeakPolarHBondContact O-CE 3.33Å; W811-K819 PolarHBondContact O-NZ 3.49Å; S812-K819 PolarHBondContact O-NZ 3.05Å; L814-K819 HydrophobicContact CB-CG 3.96Å; L814-K819 WeakPolarHBondContact O-CE 3.4Å; L814-K819 PolarHBondContact O-NZ 3.3Å; P815-K819 PolarHBondContact O-N 3.44Å; P816-K819 PolarHBondContact O-N 3.34Å; K819-L821 VanDerWaalsContact C-N 3.31Å; K819-L821 PolarHBondContact O-N 2.84Å; K819-I822 PolarHBondContact O-N 3.35Å; K819-S823 VanDerWaalsContact O-CB 3.28Å; K819-S823 WeakPolarHBondContact O-CB 3.38Å; K819-S823 PolarHBondContact O-N 2.85Å
820L82.9Confident84.9Confident142 Ų14251.4 Ų51.474%0.74330%0.301SS*.Hα-helixtrans-59.3-44.4178.3-73.2168.6000111.2P816 N817 V818P816-L820 WeakPolarHBondContact O-CG 3.42Å; P816-L820 PolarHBondContact O-N 3.06Å; P816-L820 VanDerWaalsContact O-N 3.08Å; N817-L820 PolarHBondContact O-N 3.08Å; V818-L820 PolarHBondContact O-N 3.24Å
821L83.8Confident84.9Confident40 Ų4062 Ų6221%0.20934%0.341CS..Hα-helixtrans-65.5-42.2-179.1-177.366.3000113A768 L771 S772 N817 V818 K819 P824A768-L821 HydrophobicContact CB-CD2 4.16Å; L771-L821 HydrophobicContact CB-CD2 4.48Å; L771-L821 HydrophobicContact CD2-CD1 4.06Å; L771-L821 HydrophobicContact CD2-CD2 3.85Å; L771-L821 HydrophobicContact CD2-CG 3.7Å; L771-L821 HydrophobicContact CG-CD2 4.39Å; S772-L821 WeakPolarHBondContact OG-CD2 3.47Å; N817-L821 WeakPolarHBondContact O-CB 3.47Å; N817-L821 PolarHBondContact O-N 2.76Å; N817-L821 VanDerWaalsContact O-N 3.08Å; V818-L821 PolarHBondContact O-N 2.96Å; K819-L821 VanDerWaalsContact C-N 3.31Å; K819-L821 PolarHBondContact O-N 2.84Å; L821-P824 WeakPolarHBondContact O-CD 3.48Å
822I88.7Confident84.6Confident0 Ų061.2 Ų61.20%034%0.339CS..Hα-helixtrans-94.1-12.5-172.976.3179.1000114.5I764 I787 L791 W811 L814 V818 K819 P824 F825I764-I822 HydrophobicContact CG2-CD1 3.6Å; I787-I822 HydrophobicContact CD1-CG2 4.16Å; I787-I822 HydrophobicContact CG2-CB 3.92Å; I787-I822 HydrophobicContact CG2-CG2 3.88Å; L791-I822 HydrophobicContact CD1-CD1 4.41Å; L791-I822 HydrophobicContact CD2-CD1 4.3Å; W811-I822 HydrophobicContact CH2-CD1 4.47Å; W811-I822 HydrophobicContact CH2-CG1 4.04Å; W811-I822 HydrophobicContact CZ3-CD1 3.9Å; W811-I822 HydrophobicContact CZ3-CG1 3.92Å; L814-I822 HydrophobicContact CD1-CD1 3.84Å; V818-I822 HydrophobicContact CG1-CD1 4.25Å; V818-I822 HydrophobicContact CG1-CG2 4.2Å; V818-I822 WeakPolarHBondContact O-CG1 3.2Å; V818-I822 WeakPolarHBondContact O-CG2 3.31Å; V818-I822 PolarHBondContact O-N 2.98Å; K819-I822 PolarHBondContact O-N 3.35Å; I822-P824 VanDerWaalsContact C-N 3.28Å; I822-F825 HydrophobicContact CB-CD2 3.98Å; I822-F825 HydrophobicContact CB-CE2 4.48Å; I822-F825 HydrophobicContact CG2-CD2 4.44Å; I822-F825 WeakPolarHBondContact O-CB 3.46Å; I822-F825 WeakPolarHBondContact O-CD2 3.45Å; I822-F825 PolarHBondContact O-N 2.88Å
823S85.9Confident84.1Confident56 Ų5667 Ų6739%0.39235%0.349SS..G310 helixtrans-49.3-40.5-179.4-176.40000114K819 F825 L826K819-S823 VanDerWaalsContact O-CB 3.28Å; K819-S823 WeakPolarHBondContact O-CB 3.38Å; K819-S823 PolarHBondContact O-N 2.85Å; S823-F825 PolarHBondContact O-N 2.76Å; S823-L826 WeakPolarHBondContact O-CB 3.47Å; S823-L826 PolarHBondContact O-N 3.11Å; S823-L826 VanDerWaalsContact O-N 3.15Å
824P84.3Confident83.3Confident56 Ų5671 Ų7136%0.36437%0.373SS..G310 helixtrans-57.3-33.9177.1-25.936.3000113.2L821 I822 L826 S827 T828L821-P824 WeakPolarHBondContact O-CD 3.48Å; I822-P824 VanDerWaalsContact C-N 3.28Å; P824-L826 PolarHBondContact O-N 2.8Å; P824-L826 VanDerWaalsContact O-N 3.14Å; P824-S827 PolarHBondContact O-N 2.99Å; P824-S827 PolarHBondContact O-OG 3.3Å; P824-T828 WeakPolarHBondContact O-CG2 3.23Å; P824-T828 PolarHBondContact O-N 3.36Å
825F87.7Confident82.4Confident3 Ų374.7 Ų74.71%0.01339%0.387CS..G310 helixtrans-73.4-4-177-48.6-54.5000114.2L771 S784 I787 Q788 L791 I822 S823 S827 T828 Y830L771-F825 HydrophobicContact CD1-CZ 4.2Å; L771-F825 HydrophobicContact CD2-CE2 3.42Å; L771-F825 VanDerWaalsContact CD2-CE2 3.42Å; L771-F825 HydrophobicContact CD2-CZ 3.78Å; S784-F825 VanDerWaalsContact OG-CE1 3.25Å; S784-F825 WeakPolarHBondContact OG-CE1 3.23Å; S784-F825 VanDerWaalsContact OG-CZ 3.3Å; S784-F825 WeakPolarHBondContact OG-CZ 3.33Å; I787-F825 HydrophobicContact CB-CD2 4.37Å; I787-F825 HydrophobicContact CG2-CB 4.48Å; I787-F825 HydrophobicContact CG2-CD2 3.87Å; Q788-F825 HydrophobicContact CB-CB 4.13Å; Q788-F825 WeakPolarHBondContact CG-O 3.27Å; L791-F825 HydrophobicContact CD1-CB 4.37Å; I822-F825 HydrophobicContact CB-CD2 3.98Å; I822-F825 HydrophobicContact CB-CE2 4.48Å; I822-F825 HydrophobicContact CG2-CD2 4.44Å; I822-F825 WeakPolarHBondContact O-CB 3.46Å; I822-F825 WeakPolarHBondContact O-CD2 3.45Å; I822-F825 PolarHBondContact O-N 2.88Å; S823-F825 PolarHBondContact O-N 2.76Å; F825-S827 PolarHBondContact O-N 3.27Å; F825-T828 WeakPolarHBondContact CA-OG1 3.34Å; F825-T828 HydrophobicContact CD1-CG2 4.33Å; F825-Y830 HydrophobicContact CD1-CD2 4.43Å; F825-Y830 HydrophobicContact CD1-CE2 4.15Å; F825-Y830 HydrophobicContact CE1-CE2 4.12Å
826L83.3Confident81.7Confident20 Ų2080.7 Ų80.711%0.10541%0.411CS..G310 helixtrans-70.4-22.8167.6-64.8171.8000112.2L791 C796 Q797 W811 S823 P824L791-L826 HydrophobicContact CD1-CD2 3.98Å; C796-L826 HydrophobicContact CB-CD2 4.41Å; Q797-L826 VanDerWaalsContact CD-O 3.31Å; Q797-L826 HydrophobicContact CG-CD2 4.18Å; Q797-L826 PolarHBondContact NE2-O 3.02Å; W811-L826 HydrophobicContact CH2-CD1 3.82Å; W811-L826 HydrophobicContact CZ2-CD1 4.33Å; W811-L826 HydrophobicContact CZ3-CD1 4.07Å; W811-L826 HydrophobicContact CZ3-CD2 4.43Å; S823-L826 WeakPolarHBondContact O-CB 3.47Å; S823-L826 PolarHBondContact O-N 3.11Å; S823-L826 VanDerWaalsContact O-N 3.15Å; P824-L826 PolarHBondContact O-N 2.8Å; P824-L826 VanDerWaalsContact O-N 3.14Å
827S80.4Confident81.2Confident104 Ų10480 Ų8073%0.72741%0.407SS*.THydrogen-bonded Turntrans-117.8-15.4-176.447.40000114.8P824 F825P824-S827 PolarHBondContact O-N 2.99Å; P824-S827 PolarHBondContact O-OG 3.3Å; F825-S827 PolarHBondContact O-N 3.27Å
828T85.8Confident80.9Confident23 Ų2376.5 Ų76.514%0.14139%0.389CS..  trans-68.6164.5179.556.60000112.5L492 Q788 P824 F825 Y830L492-T828 HydrophobicContact CD1-CG2 3.52Å; Q788-T828 PolarHBondContact OE1-O 3.34Å; Q788-T828 PolarHBondContact OE1-OG1 2.9Å; P824-T828 WeakPolarHBondContact O-CG2 3.23Å; P824-T828 PolarHBondContact O-N 3.36Å; F825-T828 WeakPolarHBondContact CA-OG1 3.34Å; F825-T828 HydrophobicContact CD1-CG2 4.33Å; T828-Y830 HydrophobicContact CG2-CD2 4.35Å; T828-Y830 HydrophobicContact CG2-CE2 4.1Å; T828-Y830 WeakPolarHBondContact OG1-CD2 3.46Å
829S84.3Confident80.5Confident100 Ų10084.5 Ų84.570%0.69942%0.423SS*.  trans-12341.4179.865.80000112.5
830Y85.8Confident80.2Confident18 Ų1883.5 Ų83.57%0.07142%0.42CS..  trans-57.6143.1173.2-77.5-82.1000110.6L492 I496 D781 C785 Q788 F825 T828L492-Y830 HydrophobicContact CD1-CE2 4.01Å; I496-Y830 HydrophobicContact CD1-CD1 4.35Å; I496-Y830 HydrophobicContact CD1-CE1 4.01Å; D781-Y830 HydrophobicContact CB-CE1 4.15Å; D781-Y830 WeakPolarHBondContact OD1-CE1 3.33Å; D781-Y830 PolarHBondContact OD1-OH 2.89Å; C785-Y830 HydrophobicContact CB-CG 4.37Å; Q788-Y830 PolarHBondContact NE2-O 2.82Å; F825-Y830 HydrophobicContact CD1-CD2 4.43Å; F825-Y830 HydrophobicContact CD1-CE2 4.15Å; F825-Y830 HydrophobicContact CE1-CE2 4.12Å; T828-Y830 HydrophobicContact CG2-CD2 4.35Å; T828-Y830 HydrophobicContact CG2-CE2 4.1Å; T828-Y830 WeakPolarHBondContact OG1-CD2 3.46Å
831R83.3Confident79.9Confident223 Ų22385.7 Ų85.784%0.84243%0.427SS*.  trans-142.9135.4172.8-65.8-170.8-177.6-161.90.9109.1
832F79.1Confident79.9Confident51 Ų5186.4 Ų86.422%0.22444%0.435CS..PPolyproline II helixtrans-72146.2167.6-65.4-66.5000110.2C785 A786 I883C785-F832 HydrophobicContact CB-CD1 4.19Å; C785-F832 HydrophobicContact CB-CD2 4.29Å; C785-F832 HydrophobicContact CB-CE1 3.65Å; C785-F832 HydrophobicContact CB-CE2 3.75Å; C785-F832 HydrophobicContact CB-CZ 3.42Å; C785-F832 VanDerWaalsContact CB-CZ 3.42Å; C785-F832 WeakPolarHBondContact SG-CD2 3.33Å; C785-F832 WeakPolarHBondContact SG-CE2 3.3Å; A786-F832 HydrophobicContact CB-CZ 4.34Å; F832-I883 HydrophobicContact CB-CD1 3.77Å; F832-I883 HydrophobicContact CB-CG2 4.41Å; F832-I883 HydrophobicContact CD1-CB 4.09Å; F832-I883 HydrophobicContact CD1-CD1 4.24Å; F832-I883 HydrophobicContact CD1-CG2 3.29Å; F832-I883 HydrophobicContact CD2-CB 4.27Å; F832-I883 HydrophobicContact CD2-CD1 3.32Å; F832-I883 HydrophobicContact CD2-CG1 4.37Å; F832-I883 HydrophobicContact CD2-CG2 4.29Å; F832-I883 HydrophobicContact CE1-CB 3.92Å; F832-I883 HydrophobicContact CE1-CG2 3.37Å; F832-I883 HydrophobicContact CE2-CB 4.1Å; F832-I883 HydrophobicContact CE2-CD1 3.85Å; F832-I883 HydrophobicContact CE2-CG2 4.35Å; F832-I883 HydrophobicContact CG-CB 4.24Å; F832-I883 HydrophobicContact CG-CD1 3.52Å; F832-I883 HydrophobicContact CG-CG1 4.43Å; F832-I883 HydrophobicContact CG-CG2 3.77Å; F832-I883 HydrophobicContact CZ-CB 3.91Å; F832-I883 HydrophobicContact CZ-CD1 4.48Å; F832-I883 HydrophobicContact CZ-CG2 3.91Å
833R72.3Confident79.9Confident199 Ų19991.2 Ų91.275%0.75146%0.458SS*.PPolyproline II helixtrans-66.5147.4164.4-72.1-172.3-178.3156.312.6108.5E500 R835E500-R833 IonicContact OE1-CZ 3.73Å; E500-R833 IonicContact OE1-NH1 3.65Å; E500-R833 IonicContact OE1-NH2 2.73Å; E500-R833 PolarHBondContact OE1-NH2 2.89Å; R833-R835 PolarHBondContact O-N 3.16Å
834N67.6Low80.1Confident162 Ų16291.1 Ų91.187%0.86646%0.456SS*.PPolyproline II helixtrans-55.2118.4174.5-76.6-14.5000109.4
835R69.3Low80.6Confident80 Ų8088.5 Ų88.530%0.30244%0.438SS..PPolyproline II helixtrans-73.5129.9174.4-162.1-179.8-172.3174.53.7108.3R833 P863 D886R833-R835 PolarHBondContact O-N 3.16Å; R835-P863 VanDerWaalsContact NH1-CB 3.25Å; R835-P863 VanDerWaalsContact NH2-CG 3.33Å; R835-D886 IonicContact CZ-OD1 3.74Å; R835-D886 IonicContact CZ-OD2 3.82Å; R835-D886 IonicContact NE-OD1 2.74Å; R835-D886 IonicContact NE-OD2 3.3Å; R835-D886 PolarHBondContact NE-OD2 3.39Å; R835-D886 IonicContact NH2-OD1 2.84Å; R835-D886 PolarHBondContact NH2-OD1 3.33Å; R835-D886 IonicContact NH2-OD2 3.33Å
836H71.3Confident80.8Confident165 Ų16589.2 Ų89.276%0.76444%0.442SS*.PPolyproline II helixtrans-68.2140.3166.9-68.8-63.2000108.8V838H836-V838 PolarHBondContact O-N 3.13Å
837P73Confident81Confident82 Ų8291.2 Ų91.253%0.53247%0.467SS..PPolyproline II helixtrans-56.4139.2178.222.7-32.3000110.1K839 E867P837-K839 PolarHBondContact O-N 3.46Å; P837-E867 WeakPolarHBondContact CA-OE1 3.11Å
838V76.2Confident81.5Confident26 Ų2687.1 Ų87.116%0.15844%0.438CS..  trans-66.4111.3-179.2-176.60000108.6H836 V840 H860 P863 E867H836-V838 PolarHBondContact O-N 3.13Å; V838-V840 HydrophobicContact CG1-CG2 3.82Å; V838-V840 PolarHBondContact O-N 3Å; V838-H860 HydrophobicContact CG1-CB 4.43Å; V838-P863 HydrophobicContact CG2-CB 3.84Å; V838-E867 PolarHBondContact N-OE1 2.92Å; V838-E867 VanDerWaalsContact N-OE1 3.17Å
839K78.1Confident81.5Confident178 Ų17897.2 Ų97.277%0.77447%0.474SS*.  trans-80.3101.5173.8-67.3-173179.5-175.30108.8P837P837-K839 PolarHBondContact O-N 3.46Å
840V80.2Confident81.7Confident25 Ų2593.8 Ų93.815%0.15245%0.45CS..  trans-98.2116.4171-177.60000108.1V838 S842 H843 I845 Y864V838-V840 HydrophobicContact CG1-CG2 3.82Å; V838-V840 PolarHBondContact O-N 3Å; V840-S842 VanDerWaalsContact CG1-O 3.27Å; V840-S842 WeakPolarHBondContact CG1-O 3.2Å; V840-H843 VanDerWaalsContact CG1-CE1 3.42Å; V840-H843 WeakPolarHBondContact CG1-CE1 3.27Å; V840-I845 HydrophobicContact CG1-CD1 4.12Å; V840-I845 HydrophobicContact CG1-CG1 3.71Å; V840-I845 HydrophobicContact CG2-CD1 4Å; V840-I845 HydrophobicContact CG2-CG1 4.49Å; V840-Y864 HydrophobicContact CB-CD2 4.31Å; V840-Y864 HydrophobicContact CB-CE2 4.33Å; V840-Y864 HydrophobicContact CG2-CD2 3.72Å; V840-Y864 HydrophobicContact CG2-CE2 4.23Å; V840-Y864 HydrophobicContact CG2-CG 4.36Å
841E78.5Confident81.9Confident189 Ų18993 Ų9388%0.88345%0.446SS*.  trans-89.9-22.4-176.7-64.8-178.7172.500112.9
842S83Confident82.1Confident54 Ų5487.1 Ų87.138%0.37843%0.432SS..SBendtrans-135.9134.5-176.258.70000110.9V840 S848V840-S842 VanDerWaalsContact CG1-O 3.27Å; V840-S842 WeakPolarHBondContact CG1-O 3.2Å; S842-S848 WeakPolarHBondContact OG-CB 3.43Å
843H87.7Confident82.6Confident102 Ų10286.7 Ų86.747%0.47244%0.435SS..SBendtrans-117.8142.2171.9-71-72.8000109.5V840 Y864V840-H843 VanDerWaalsContact CG1-CE1 3.42Å; V840-H843 WeakPolarHBondContact CG1-CE1 3.27Å; H843-Y864 AromaticContact CE1-CE1 3.85Å; H843-Y864 AromaticContact CE1-CE2 3.48Å; H843-Y864 VanDerWaalsContact CE1-CE2 3.48Å; H843-Y864 WeakPolarHBondContact CE1-CE2 3.38Å; H843-Y864 AromaticContact CE1-CZ 3.16Å; H843-Y864 PolarHBondContact CE1-OH 2.96Å; H843-Y864 AromaticContact NE2-CE2 3.75Å; H843-Y864 AromaticContact NE2-CZ 3.63Å; H843-Y864 PolarHBondContact NE2-OH 2.94Å
844P91.9Very high83.5Confident54 Ų5479.9 Ų79.935%0.35141%0.413SS..SBendcis-60.2157-9.1-23.836.2000113.9E915 A918P844-E915 WeakPolarHBondContact CA-OE2 3.49Å; P844-E915 WeakPolarHBondContact CB-OE2 3.18Å; P844-A918 HydrophobicContact CB-CB 3.52Å; P844-A918 HydrophobicContact CG-CB 3.65Å
845I93.2Very high84.6Confident0 Ų073.8 Ų73.80%038%0.384CS..  trans-73.3-39.7178.7-58.8176.2000109.8V840 G847 S848 C850 G851 H860 W861 Y864 E915V840-I845 HydrophobicContact CG1-CD1 4.12Å; V840-I845 HydrophobicContact CG1-CG1 3.71Å; V840-I845 HydrophobicContact CG2-CD1 4Å; V840-I845 HydrophobicContact CG2-CG1 4.49Å; I845-G847 PolarHBondContact O-N 3.33Å; I845-S848 VanDerWaalsContact O-CB 3.23Å; I845-S848 WeakPolarHBondContact O-CB 3.49Å; I845-S848 PolarHBondContact O-N 3.24Å; I845-S848 PolarHBondContact O-OG 3.36Å; I845-C850 HydrophobicContact CG2-CB 4.11Å; I845-G851 WeakPolarHBondContact O-CA 3.44Å; I845-G851 PolarHBondContact O-N 3.12Å; I845-H860 HydrophobicContact CG2-CB 4.02Å; I845-W861 HydrophobicContact CD1-CB 4.17Å; I845-Y864 HydrophobicContact CD1-CD1 4.42Å; I845-Y864 HydrophobicContact CD1-CG 4.32Å; I845-E915 WeakPolarHBondContact CA-OE1 3.37Å; I845-E915 WeakPolarHBondContact CB-OE1 3.5Å; I845-E915 PolarHBondContact N-OE1 2.85Å; I845-E915 PolarHBondContact N-OE2 3.34Å
846F93Very high85.7Confident19 Ų1971.4 Ų71.48%0.08338%0.378CS..THydrogen-bonded Turntrans-57.5128.5177.5-173.5-92.4000110.8S848 W857 E915 A918 V919 C922 F933 A937F846-S848 PolarHBondContact O-N 2.95Å; F846-W857 HydrophobicContact CD2-CD2 4.06Å; F846-W857 HydrophobicContact CD2-CG 4.15Å; F846-W857 HydrophobicContact CD2-CZ2 4.5Å; F846-E915 WeakPolarHBondContact CB-OE1 3.37Å; F846-E915 PolarHBondContact N-OE1 3.43Å; F846-A918 HydrophobicContact CB-CB 4.33Å; F846-V919 HydrophobicContact CB-CG2 4.18Å; F846-V919 HydrophobicContact CD1-CG2 4.25Å; F846-V919 HydrophobicContact CD2-CG2 3.64Å; F846-V919 HydrophobicContact CE2-CG2 4.04Å; F846-V919 HydrophobicContact CG-CG2 3.74Å; F846-C922 HydrophobicContact CE1-CB 3.76Å; F846-C922 HydrophobicContact CZ-CB 4.45Å; F846-F933 HydrophobicContact CD2-CE2 4.38Å; F846-F933 AromaticContact CD2-CZ 3.81Å; F846-F933 HydrophobicContact CD2-CZ 3.81Å; F846-F933 AromaticContact CE2-CE1 3.83Å; F846-F933 HydrophobicContact CE2-CE1 3.83Å; F846-F933 AromaticContact CE2-CE2 3.68Å; F846-F933 HydrophobicContact CE2-CE2 3.68Å; F846-F933 AromaticContact CE2-CZ 3.27Å; F846-F933 HydrophobicContact CE2-CZ 3.27Å; F846-F933 HydrophobicContact CZ-CE1 4.06Å; F846-F933 AromaticContact CZ-CZ 3.97Å; F846-F933 HydrophobicContact CZ-CZ 3.97Å; F846-A937 HydrophobicContact CD2-CB 4.44Å; F846-A937 HydrophobicContact CE2-CB 3.64Å; F846-A937 HydrophobicContact CZ-CB 4.37Å
847G87.7Confident86.8Confident61 Ų6163.6 Ų63.663%0.62934%0.342SS*.THydrogen-bonded Turntrans77-6.7-176.600000114.9I845 G851I845-G847 PolarHBondContact O-N 3.33Å; G847-G851 PolarHBondContact N-O 3.25Å
848S90.4Very high87.9Confident19 Ų1959.8 Ų59.813%0.13332%0.317CS..SBendtrans-78.6175.3169.480.50000111.4S842 I845 F846 C850 G851 D852S842-S848 WeakPolarHBondContact OG-CB 3.43Å; I845-S848 VanDerWaalsContact O-CB 3.23Å; I845-S848 WeakPolarHBondContact O-CB 3.49Å; I845-S848 PolarHBondContact O-N 3.24Å; I845-S848 PolarHBondContact O-OG 3.36Å; F846-S848 PolarHBondContact O-N 2.95Å; S848-C850 PolarHBondContact O-N 3.47Å; S848-C850 VanDerWaalsContact O-N 3.12Å; S848-C850 PolarHBondContact OG-N 3.29Å; S848-C850 VanDerWaalsContact OG-N 3.08Å; S848-G851 CarbonylContact O-C 3.46Å; S848-G851 PolarHBondContact O-N 3.49Å; S848-D852 PolarHBondContact O-N 3.36Å
849R85.7Confident88.6Confident234 Ų23462.1 Ų62.188%0.88332%0.323SS*.THydrogen-bonded Turntrans-58.5-22.7171.1-64.7-176.5179.5-174.60.1113.5
850C87.5Confident89.4Confident29 Ų2955.9 Ų55.920%0.19630%0.297CS..THydrogen-bonded Turntrans-943.6177-65.80000112.9I845 S848 T856 H860I845-C850 HydrophobicContact CG2-CB 4.11Å; S848-C850 PolarHBondContact O-N 3.47Å; S848-C850 VanDerWaalsContact O-N 3.12Å; S848-C850 PolarHBondContact OG-N 3.29Å; S848-C850 VanDerWaalsContact OG-N 3.08Å; C850-T856 CarbonylContact O-C 3.55Å; C850-T856 WeakPolarHBondContact O-CG2 3.47Å; C850-H860 HydrophobicContact CB-CB 4.46Å; C850-H860 PolarHBondContact O-ND1 2.89Å
851G90Very high90.1Very high0 Ų054.9 Ų54.90%029%0.29CS..  trans-149.641.4-177.300000113.2I845 G847 S848I845-G851 WeakPolarHBondContact O-CA 3.44Å; I845-G851 PolarHBondContact O-N 3.12Å; G847-G851 PolarHBondContact N-O 3.25Å; S848-G851 CarbonylContact O-C 3.46Å; S848-G851 PolarHBondContact O-N 3.49Å
852D87.9Confident90.9Very high100 Ų10045.9 Ų45.954%0.53525%0.248SC..SBendtrans-82-12.7179.964.4-10.7000114.4S848 T856S848-D852 PolarHBondContact O-N 3.36Å; D852-T856 WeakPolarHBondContact OD1-CB 3.41Å; D852-T856 WeakPolarHBondContact OD1-CG2 3.32Å; D852-T856 PolarHBondContact OD1-OG1 3.15Å
853S90Very high91.4Very high43 Ų4343.4 Ų43.430%0.30123%0.23SC..SBendtrans-143.6162174.9800000110.3S855 T856 W857 F933S853-S855 PolarHBondContact O-N 2.87Å; S853-T856 PolarHBondContact O-N 3.1Å; S853-T856 PolarHBondContact OG-N 3.45Å; S853-T856 VanDerWaalsContact OG-N 3.11Å; S853-T856 PolarHBondContact OG-OG1 3.44Å; S853-W857 VanDerWaalsContact O-CB 3.26Å; S853-W857 WeakPolarHBondContact O-CB 3.36Å; S853-W857 PolarHBondContact O-N 3.35Å; S853-F933 VanDerWaalsContact C-CZ 3.49Å
854L90.9Very high91.6Very high55 Ų5539.7 Ų39.729%0.28821%0.213SC..Hα-helixtrans-55.5-41.5178.5-176.571.2000111.4W857 L858 F933 A936 A937 V940L854-W857 HydrophobicContact CD1-CE3 4.02Å; L854-W857 HydrophobicContact CD1-CZ3 4.16Å; L854-L858 HydrophobicContact CD1-CD1 4.09Å; L854-L858 HydrophobicContact CD1-CG 4.39Å; L854-L858 HydrophobicContact CG-CD1 4.05Å; L854-L858 WeakPolarHBondContact O-CB 3.19Å; L854-L858 WeakPolarHBondContact O-CG 3Å; L854-L858 PolarHBondContact O-N 2.76Å; L854-F933 HydrophobicContact CB-CD2 3.87Å; L854-F933 HydrophobicContact CB-CE2 4.01Å; L854-A936 HydrophobicContact CD1-CB 4.47Å; L854-A936 HydrophobicContact CD2-CB 3.94Å; L854-A937 HydrophobicContact CD1-CB 4.36Å; L854-V940 HydrophobicContact CD1-CG2 4.25Å
855S90.9Very high91.8Very high35 Ų3537.1 Ų37.125%0.24520%0.196CC..Hα-helixtrans-70.4-43.9-179.4-175.80000112.1S853 R859S853-S855 PolarHBondContact O-N 2.87Å; S855-R859 WeakPolarHBondContact O-CB 3.47Å; S855-R859 PolarHBondContact O-N 2.9Å; S855-R859 PolarHBondContact O-NH1 2.85Å; S855-R859 PolarHBondContact OG-NH1 2.93Å; S855-R859 PolarHBondContact OG-NH2 3.38Å
856T92.1Very high91.8Very high30 Ų3037.2 Ų37.218%0.18420%0.197CC..Hα-helixtrans-62.6-47.8177.6-43.40000110.2C850 D852 S853 R859 H860C850-T856 CarbonylContact O-C 3.55Å; C850-T856 WeakPolarHBondContact O-CG2 3.47Å; D852-T856 WeakPolarHBondContact OD1-CB 3.41Å; D852-T856 WeakPolarHBondContact OD1-CG2 3.32Å; D852-T856 PolarHBondContact OD1-OG1 3.15Å; S853-T856 PolarHBondContact O-N 3.1Å; S853-T856 PolarHBondContact OG-N 3.45Å; S853-T856 VanDerWaalsContact OG-N 3.11Å; S853-T856 PolarHBondContact OG-OG1 3.44Å; T856-R859 PolarHBondContact O-N 3.11Å; T856-H860 PolarHBondContact O-N 2.99Å; T856-H860 PolarHBondContact O-ND1 2.81Å
857W95Very high91.7Very high0 Ų039.2 Ų39.20%021%0.206CC..Hα-helixtrans-59.1-53.6-179.1175.459.9000111.9F846 S853 L854 R859 H860 W861 E915 V919 F933 A937 V940 I941F846-W857 HydrophobicContact CD2-CD2 4.06Å; F846-W857 HydrophobicContact CD2-CG 4.15Å; F846-W857 HydrophobicContact CD2-CZ2 4.5Å; S853-W857 VanDerWaalsContact O-CB 3.26Å; S853-W857 WeakPolarHBondContact O-CB 3.36Å; S853-W857 PolarHBondContact O-N 3.35Å; L854-W857 HydrophobicContact CD1-CE3 4.02Å; L854-W857 HydrophobicContact CD1-CZ3 4.16Å; W857-R859 VanDerWaalsContact C-N 3.3Å; W857-R859 PolarHBondContact O-N 3.46Å; W857-H860 PolarHBondContact O-N 3.44Å; W857-H860 VanDerWaalsContact O-N 3.16Å; W857-W861 HydrophobicContact CD2-CE3 4.44Å; W857-W861 AromaticContact CE2-CE3 3.66Å; W857-W861 AromaticContact CH2-CE3 3.67Å; W857-W861 HydrophobicContact CH2-CE3 3.67Å; W857-W861 HydrophobicContact CH2-CH2 4.38Å; W857-W861 AromaticContact CH2-CZ3 3.41Å; W857-W861 HydrophobicContact CH2-CZ3 3.41Å; W857-W861 VanDerWaalsContact CH2-CZ3 3.41Å; W857-W861 HydrophobicContact CZ2-CD2 4.01Å; W857-W861 AromaticContact CZ2-CE3 3.23Å; W857-W861 HydrophobicContact CZ2-CE3 3.23Å; W857-W861 HydrophobicContact CZ2-CH2 4.06Å; W857-W861 AromaticContact CZ2-CZ3 3.26Å; W857-W861 HydrophobicContact CZ2-CZ3 3.26Å; W857-W861 HydrophobicContact CZ3-CE3 4.41Å; W857-W861 HydrophobicContact CZ3-CZ3 4.39Å; W857-W861 VanDerWaalsContact O-CB 3.32Å; W857-W861 WeakPolarHBondContact O-CB 3.38Å; W857-W861 PolarHBondContact O-N 2.93Å; W857-E915 HydrophobicContact CZ2-CG 4.3Å; W857-E915 PolarHBondContact NE1-OE1 3.45Å; W857-V919 HydrophobicContact CH2-CG2 3.96Å; W857-V919 HydrophobicContact CZ2-CG2 3.66Å; W857-F933 HydrophobicContact CB-CZ 4.47Å; W857-A937 HydrophobicContact CE3-CB 4.41Å; W857-A937 HydrophobicContact CH2-CB 4.48Å; W857-A937 HydrophobicContact CZ3-CB 4.01Å; W857-V940 HydrophobicContact CZ3-CG1 4.48Å; W857-I941 HydrophobicContact CH2-CD1 3.92Å; W857-I941 HydrophobicContact CZ2-CD1 4.43Å
858L95Very high91.9Very high3 Ų339.7 Ų39.72%0.01619%0.191CC..Hα-helixtrans-63.3-35.1179-70.6176.3000112.8L854 H860 L862 I889 A892 P893 L896 V940L854-L858 HydrophobicContact CD1-CD1 4.09Å; L854-L858 HydrophobicContact CD1-CG 4.39Å; L854-L858 HydrophobicContact CG-CD1 4.05Å; L854-L858 WeakPolarHBondContact O-CB 3.19Å; L854-L858 WeakPolarHBondContact O-CG 3Å; L854-L858 PolarHBondContact O-N 2.76Å; L858-H860 PolarHBondContact O-N 3.44Å; L858-L862 WeakPolarHBondContact O-CB 3.46Å; L858-L862 PolarHBondContact O-N 3.36Å; L858-I889 HydrophobicContact CB-CD1 3.61Å; L858-I889 HydrophobicContact CB-CG1 4.28Å; L858-A892 HydrophobicContact CB-CB 4.17Å; L858-A892 HydrophobicContact CD1-CB 4.26Å; L858-P893 HydrophobicContact CD1-CG 4.35Å; L858-L896 HydrophobicContact CD2-CD2 4.09Å; L858-V940 HydrophobicContact CD2-CG1 4.28Å
859R92.9Very high92.1Very high75 Ų7539.1 Ų39.128%0.28319%0.186SC..Hα-helixtrans-67.2-24.4178.4-171.8179.2-67.199.7-1.5112.9S855 T856 W857 P863 I889S855-R859 WeakPolarHBondContact O-CB 3.47Å; S855-R859 PolarHBondContact O-N 2.9Å; S855-R859 PolarHBondContact O-NH1 2.85Å; S855-R859 PolarHBondContact OG-NH1 2.93Å; S855-R859 PolarHBondContact OG-NH2 3.38Å; T856-R859 PolarHBondContact O-N 3.11Å; W857-R859 VanDerWaalsContact C-N 3.3Å; W857-R859 PolarHBondContact O-N 3.46Å; R859-P863 WeakPolarHBondContact O-CD 3.29Å; R859-P863 VanDerWaalsContact O-CG 3.25Å; R859-P863 WeakPolarHBondContact O-CG 3.44Å; R859-I889 HydrophobicContact CB-CD1 4.16Å
860H93.2Very high92.5Very high47 Ų4736.1 Ų36.122%0.21818%0.175CC..Hα-helixtrans-97-45.6175-66.688.3000112.2V838 I845 C850 T856 W857 L858 Y864V838-H860 HydrophobicContact CG1-CB 4.43Å; I845-H860 HydrophobicContact CG2-CB 4.02Å; C850-H860 HydrophobicContact CB-CB 4.46Å; C850-H860 PolarHBondContact O-ND1 2.89Å; T856-H860 PolarHBondContact O-N 2.99Å; T856-H860 PolarHBondContact O-ND1 2.81Å; W857-H860 PolarHBondContact O-N 3.44Å; W857-H860 VanDerWaalsContact O-N 3.16Å; L858-H860 PolarHBondContact O-N 3.44Å; H860-Y864 WeakPolarHBondContact O-CB 3.44Å; H860-Y864 PolarHBondContact O-N 2.68Å; H860-Y864 VanDerWaalsContact O-N 3.08Å
861W95.3Very high92.8Very high3 Ų336.9 Ų36.91%0.01118%0.176CC..Hα-helixtrans-66.4-48.4-173-173.341.4000112.9I845 W857 Y864 L865 L896 I900 I912 E915 I941I845-W861 HydrophobicContact CD1-CB 4.17Å; W857-W861 HydrophobicContact CD2-CE3 4.44Å; W857-W861 AromaticContact CE2-CE3 3.66Å; W857-W861 AromaticContact CH2-CE3 3.67Å; W857-W861 HydrophobicContact CH2-CE3 3.67Å; W857-W861 HydrophobicContact CH2-CH2 4.38Å; W857-W861 AromaticContact CH2-CZ3 3.41Å; W857-W861 HydrophobicContact CH2-CZ3 3.41Å; W857-W861 VanDerWaalsContact CH2-CZ3 3.41Å; W857-W861 HydrophobicContact CZ2-CD2 4.01Å; W857-W861 AromaticContact CZ2-CE3 3.23Å; W857-W861 HydrophobicContact CZ2-CE3 3.23Å; W857-W861 HydrophobicContact CZ2-CH2 4.06Å; W857-W861 AromaticContact CZ2-CZ3 3.26Å; W857-W861 HydrophobicContact CZ2-CZ3 3.26Å; W857-W861 HydrophobicContact CZ3-CE3 4.41Å; W857-W861 HydrophobicContact CZ3-CZ3 4.39Å; W857-W861 VanDerWaalsContact O-CB 3.32Å; W857-W861 WeakPolarHBondContact O-CB 3.38Å; W857-W861 PolarHBondContact O-N 2.93Å; W861-Y864 WeakPolarHBondContact O-CB 3.5Å; W861-Y864 PolarHBondContact O-N 2.76Å; W861-L865 HydrophobicContact CD2-CD1 4.19Å; W861-L865 HydrophobicContact CG-CD1 4.41Å; W861-L865 HydrophobicContact CZ2-CD1 4.12Å; W861-L865 WeakPolarHBondContact O-CG 3.36Å; W861-L865 PolarHBondContact O-N 3.25Å; W861-L896 HydrophobicContact CE3-CD1 4.18Å; W861-L896 HydrophobicContact CE3-CD2 4.04Å; W861-L896 HydrophobicContact CH2-CD2 4.43Å; W861-L896 HydrophobicContact CZ3-CD1 4.19Å; W861-L896 HydrophobicContact CZ3-CD2 3.63Å; W861-L896 HydrophobicContact CZ3-CG 4.46Å; W861-I900 HydrophobicContact CH2-CD1 3.97Å; W861-I900 HydrophobicContact CZ2-CD1 4.3Å; W861-I912 HydrophobicContact CZ2-CG2 4.31Å; W861-E915 HydrophobicContact CD2-CG 4.02Å; W861-E915 HydrophobicContact CG-CG 4.33Å; W861-E915 HydrophobicContact CH2-CG 4.46Å; W861-E915 HydrophobicContact CZ2-CB 3.92Å; W861-E915 HydrophobicContact CZ2-CG 3.8Å; W861-I941 HydrophobicContact CH2-CD1 3.85Å; W861-I941 HydrophobicContact CZ3-CD1 4.01Å
862L95.4Very high92.8Very high0 Ų041.4 Ų41.40%021%0.207CC..Hα-helixtrans-62.5-51.7-178.4168.566.2000112.1L858 Y864 L865 V866 V885 A892 L895 L896 V899L858-L862 WeakPolarHBondContact O-CB 3.46Å; L858-L862 PolarHBondContact O-N 3.36Å; L862-Y864 VanDerWaalsContact C-N 3.31Å; L862-Y864 PolarHBondContact O-N 3.27Å; L862-L865 PolarHBondContact O-N 3.1Å; L862-V866 HydrophobicContact CD1-CG2 4.11Å; L862-V866 VanDerWaalsContact O-CG2 3.29Å; L862-V866 WeakPolarHBondContact O-CG2 3.49Å; L862-V866 PolarHBondContact O-N 3.34Å; L862-V885 HydrophobicContact CD2-CG2 3.83Å; L862-A892 HydrophobicContact CD2-CB 3.7Å; L862-L895 HydrophobicContact CD1-CD2 4.4Å; L862-L895 HydrophobicContact CD1-CG 4.48Å; L862-L895 HydrophobicContact CD2-CB 4.36Å; L862-L895 HydrophobicContact CD2-CD2 4.24Å; L862-L896 HydrophobicContact CB-CD1 4.41Å; L862-L896 HydrophobicContact CD1-CB 4.38Å; L862-L896 HydrophobicContact CD1-CD1 4.08Å; L862-V899 HydrophobicContact CD1-CB 4.21Å; L862-V899 HydrophobicContact CD1-CG2 3.82Å
863P93.1Very high93.1Very high2 Ų239.4 Ų39.41%0.01319%0.194CC..Hα-helixtrans-59.1-38.8174.8-30.941.5000114.3R835 V838 R859 V866 E867R835-P863 VanDerWaalsContact NH1-CB 3.25Å; R835-P863 VanDerWaalsContact NH2-CG 3.33Å; V838-P863 HydrophobicContact CG2-CB 3.84Å; R859-P863 WeakPolarHBondContact O-CD 3.29Å; R859-P863 VanDerWaalsContact O-CG 3.25Å; R859-P863 WeakPolarHBondContact O-CG 3.44Å; P863-V866 WeakPolarHBondContact O-CB 3.21Å; P863-V866 PolarHBondContact O-N 2.94Å; P863-E867 WeakPolarHBondContact O-CG 3.4Å; P863-E867 PolarHBondContact O-N 3.46Å
864Y93.4Very high93.2Very high25 Ų2537.3 Ų37.310%0.09818%0.18CC..Hα-helixtrans-59.3-46.4175.5174.3-92.6000111.7V840 H843 I845 H860 W861 L862 V866 E867 K868 E911V840-Y864 HydrophobicContact CB-CD2 4.31Å; V840-Y864 HydrophobicContact CB-CE2 4.33Å; V840-Y864 HydrophobicContact CG2-CD2 3.72Å; V840-Y864 HydrophobicContact CG2-CE2 4.23Å; V840-Y864 HydrophobicContact CG2-CG 4.36Å; H843-Y864 AromaticContact CE1-CE1 3.85Å; H843-Y864 AromaticContact CE1-CE2 3.48Å; H843-Y864 VanDerWaalsContact CE1-CE2 3.48Å; H843-Y864 WeakPolarHBondContact CE1-CE2 3.38Å; H843-Y864 AromaticContact CE1-CZ 3.16Å; H843-Y864 PolarHBondContact CE1-OH 2.96Å; H843-Y864 AromaticContact NE2-CE2 3.75Å; H843-Y864 AromaticContact NE2-CZ 3.63Å; H843-Y864 PolarHBondContact NE2-OH 2.94Å; I845-Y864 HydrophobicContact CD1-CD1 4.42Å; I845-Y864 HydrophobicContact CD1-CG 4.32Å; H860-Y864 WeakPolarHBondContact O-CB 3.44Å; H860-Y864 PolarHBondContact O-N 2.68Å; H860-Y864 VanDerWaalsContact O-N 3.08Å; W861-Y864 WeakPolarHBondContact O-CB 3.5Å; W861-Y864 PolarHBondContact O-N 2.76Å; L862-Y864 VanDerWaalsContact C-N 3.31Å; L862-Y864 PolarHBondContact O-N 3.27Å; Y864-V866 VanDerWaalsContact C-N 3.34Å; Y864-V866 PolarHBondContact O-N 3.28Å; Y864-E867 PolarHBondContact O-N 3.33Å; Y864-K868 HydrophobicContact CE1-CD 3.91Å; Y864-K868 VanDerWaalsContact CZ-CE 3.41Å; Y864-K868 VanDerWaalsContact CZ-NZ 3.28Å; Y864-K868 PolarHBondContact O-N 3.47Å; Y864-K868 WeakPolarHBondContact OH-CE 2.97Å; Y864-K868 PolarHBondContact OH-NZ 3.11Å; Y864-E911 WeakPolarHBondContact CE1-OE2 3.46Å; Y864-E911 PolarHBondContact OH-OE2 3.47Å
865L94.4Very high93.3Very high0 Ų035.1 Ų35.10%017%0.168CC..Hα-helixtrans-62.1-43.1175.3-68.9179.9000111.7W861 L862 E867 K868 V869 L896 V899 I900 I912W861-L865 HydrophobicContact CD2-CD1 4.19Å; W861-L865 HydrophobicContact CG-CD1 4.41Å; W861-L865 HydrophobicContact CZ2-CD1 4.12Å; W861-L865 WeakPolarHBondContact O-CG 3.36Å; W861-L865 PolarHBondContact O-N 3.25Å; L862-L865 PolarHBondContact O-N 3.1Å; L865-E867 VanDerWaalsContact C-N 3.32Å; L865-E867 PolarHBondContact O-N 3Å; L865-K868 PolarHBondContact O-N 3.06Å; L865-K868 VanDerWaalsContact O-N 3.09Å; L865-V869 PolarHBondContact O-N 3.44Å; L865-L896 HydrophobicContact CD1-CD1 3.94Å; L865-V899 HydrophobicContact CB-CG1 3.9Å; L865-I900 HydrophobicContact CD1-CG1 4.05Å; L865-I912 HydrophobicContact CD2-CD1 4.24Å; L865-I912 HydrophobicContact CD2-CG1 3.73Å
866V94Very high93.4Very high2 Ų242 Ų421%0.01219%0.189CC..Hα-helixtrans-61.4-37.4178.7165.40000112.4L862 P863 Y864 K868 Y878 R879 V899L862-V866 HydrophobicContact CD1-CG2 4.11Å; L862-V866 VanDerWaalsContact O-CG2 3.29Å; L862-V866 WeakPolarHBondContact O-CG2 3.49Å; L862-V866 PolarHBondContact O-N 3.34Å; P863-V866 WeakPolarHBondContact O-CB 3.21Å; P863-V866 PolarHBondContact O-N 2.94Å; Y864-V866 VanDerWaalsContact C-N 3.34Å; Y864-V866 PolarHBondContact O-N 3.28Å; V866-K868 VanDerWaalsContact C-N 3.25Å; V866-K868 PolarHBondContact O-N 2.96Å; V866-Y878 VanDerWaalsContact CG1-C 3.42Å; V866-R879 VanDerWaalsContact CG1-CA 3.46Å; V866-R879 HydrophobicContact CG1-CB 4.07Å; V866-R879 HydrophobicContact CG1-CG 3.47Å; V866-R879 VanDerWaalsContact CG1-CG 3.47Å; V866-V899 HydrophobicContact CG2-CG1 3.89Å; V866-V899 HydrophobicContact CG2-CG2 3.78Å
867E91.3Very high93.4Very high61 Ų6140.6 Ų40.629%0.28518%0.181SC..Hα-helixtrans-63.3-33.7175-76.6179.3-164.900112.1P837 V838 P863 Y864 L865 R879P837-E867 WeakPolarHBondContact CA-OE1 3.11Å; V838-E867 PolarHBondContact N-OE1 2.92Å; V838-E867 VanDerWaalsContact N-OE1 3.17Å; P863-E867 WeakPolarHBondContact O-CG 3.4Å; P863-E867 PolarHBondContact O-N 3.46Å; Y864-E867 PolarHBondContact O-N 3.33Å; L865-E867 VanDerWaalsContact C-N 3.32Å; L865-E867 PolarHBondContact O-N 3Å; E867-R879 PolarHBondContact O-NH2 3.15Å
868K91.8Very high93.4Very high71 Ų7140.9 Ų40.931%0.30918%0.181SC..THydrogen-bonded Turntrans-89.6-2.9-177.1-70.1-168.5168.7-169.50115.9Y864 L865 V866 R870 E911Y864-K868 HydrophobicContact CE1-CD 3.91Å; Y864-K868 VanDerWaalsContact CZ-CE 3.41Å; Y864-K868 VanDerWaalsContact CZ-NZ 3.28Å; Y864-K868 PolarHBondContact O-N 3.47Å; Y864-K868 WeakPolarHBondContact OH-CE 2.97Å; Y864-K868 PolarHBondContact OH-NZ 3.11Å; L865-K868 PolarHBondContact O-N 3.06Å; L865-K868 VanDerWaalsContact O-N 3.09Å; V866-K868 VanDerWaalsContact C-N 3.25Å; V866-K868 PolarHBondContact O-N 2.96Å; K868-R870 PolarHBondContact O-N 3.24Å; K868-E911 VanDerWaalsContact CD-OE2 3.31Å; K868-E911 WeakPolarHBondContact CD-OE2 3.21Å; K868-E911 IonicContact NZ-OE1 3.67Å; K868-E911 PolarHBondContact NZ-OE1 3.14Å; K868-E911 IonicContact NZ-OE2 2.59Å; K868-E911 PolarHBondContact NZ-OE2 2.96Å
869V94.5Very high93.3Very high6 Ų646.7 Ų46.74%0.03620%0.203CC..  trans-61.2121.3172.9173.50000109.4L865 H871 A874 S875 V899 Q902 K903L865-V869 PolarHBondContact O-N 3.44Å; V869-H871 HydrophobicContact CG1-CB 4.39Å; V869-A874 HydrophobicContact CG1-CB 3.92Å; V869-S875 WeakPolarHBondContact O-CB 3.29Å; V869-S875 PolarHBondContact O-OG 3.1Å; V869-V899 HydrophobicContact CG2-CG1 4.26Å; V869-Q902 HydrophobicContact CG1-CG 3.73Å; V869-K903 HydrophobicContact CG2-CG 4.41Å
870R93.9Very high93.1Very high172 Ų17244.2 Ų44.265%0.64920%0.195SC*.  trans-76.9-35.6-176.8-59.2177.9-174.8179.6-1.1111.9K868 S872 E906 D908K868-R870 PolarHBondContact O-N 3.24Å; R870-S872 PolarHBondContact O-N 3.24Å; R870-S872 VanDerWaalsContact O-N 3.14Å; R870-E906 HydrophobicContact CB-CG 4.44Å; R870-E906 WeakPolarHBondContact CB-OE2 3.44Å; R870-E906 WeakPolarHBondContact CG-OE2 3.14Å; R870-E906 PolarHBondContact N-OE1 3.43Å; R870-E906 PolarHBondContact N-OE2 3.23Å; R870-D908 IonicContact CZ-OD2 3.5Å; R870-D908 IonicContact NE-OD2 3.14Å; R870-D908 PolarHBondContact NE-OD2 2.9Å; R870-D908 IonicContact NH2-OD2 3.28Å; R870-D908 PolarHBondContact NH2-OD2 3.35Å
871H93.1Very high93Very high44 Ų4442 Ų4220%0.20419%0.185CC..SBendtrans-65.5114.2179.8-172.4-52.3000110.7N752 V869 K873 A874 S875 Q902 E906N752-H871 PolarHBondContact OD1-NE2 3.08Å; V869-H871 HydrophobicContact CG1-CB 4.39Å; H871-K873 PolarHBondContact ND1-N 3.38Å; H871-K873 PolarHBondContact O-N 2.9Å; H871-A874 HydrophobicContact CB-CB 3.94Å; H871-A874 PolarHBondContact ND1-N 3.12Å; H871-A874 PolarHBondContact O-N 2.96Å; H871-S875 VanDerWaalsContact O-CB 3.26Å; H871-S875 WeakPolarHBondContact O-CB 3.47Å; H871-S875 PolarHBondContact O-N 3.08Å; H871-Q902 VanDerWaalsContact CB-NE2 3.32Å; H871-E906 VanDerWaalsContact CB-OE1 3.28Å; H871-E906 WeakPolarHBondContact CB-OE1 3.35Å; H871-E906 PolarHBondContact N-OE1 3.33Å
872S91.6Very high92.9Very high96 Ų9641.9 Ų41.967%0.67119%0.185SC*.Hα-helixtrans-56.8-47.8-171.862.40000114.3R870 R876R870-S872 PolarHBondContact O-N 3.24Å; R870-S872 VanDerWaalsContact O-N 3.14Å; S872-R876 WeakPolarHBondContact O-CB 3.39Å; S872-R876 PolarHBondContact O-N 3.44Å
873K92.2Very high92.6Very high57 Ų5743.3 Ų43.325%0.24819%0.192CC..Hα-helixtrans-63.4-47.1178-166.8174.5177.7-174.10112.1F751 T753 D754 F793 H871 R876 F877F751-K873 HydrophobicContact CB-CB 4.48Å; F751-K873 HydrophobicContact CD1-CB 4.46Å; F751-K873 HydrophobicContact CD1-CD 4.39Å; F751-K873 HydrophobicContact CD1-CG 4.02Å; T753-K873 PolarHBondContact O-NZ 2.97Å; T753-K873 VanDerWaalsContact O-NZ 3.1Å; D754-K873 IonicContact OD1-NZ 3.82Å; D754-K873 PolarHBondContact OD1-NZ 3.02Å; F793-K873 HydrophobicContact CE1-CG 4.31Å; F793-K873 HydrophobicContact CE2-CG 4.42Å; F793-K873 HydrophobicContact CZ-CG 3.57Å; F793-K873 WeakPolarHBondContact CZ-O 3.09Å; H871-K873 PolarHBondContact ND1-N 3.38Å; H871-K873 PolarHBondContact O-N 2.9Å; K873-R876 PolarHBondContact O-N 3.22Å; K873-F877 PolarHBondContact O-N 3.14Å
874A93.1Very high92.4Very high0 Ų043.2 Ų43.20%019%0.192CC..Hα-helixtrans-62.7-48176.500000112.1F751 V869 H871 R876 F877 Y878 Q902F751-A874 HydrophobicContact CB-CB 4.29Å; F751-A874 HydrophobicContact CD1-CB 4.38Å; F751-A874 HydrophobicContact CD2-CB 3.31Å; F751-A874 HydrophobicContact CE2-CB 3.57Å; F751-A874 HydrophobicContact CG-CB 3.75Å; F751-A874 HydrophobicContact CZ-CB 4.22Å; V869-A874 HydrophobicContact CG1-CB 3.92Å; H871-A874 HydrophobicContact CB-CB 3.94Å; H871-A874 PolarHBondContact ND1-N 3.12Å; H871-A874 PolarHBondContact O-N 2.96Å; A874-R876 VanDerWaalsContact C-N 3.32Å; A874-R876 PolarHBondContact O-N 3Å; A874-F877 PolarHBondContact O-N 3.37Å; A874-F877 VanDerWaalsContact O-N 3.15Å; A874-Y878 HydrophobicContact CB-CD2 4.25Å; A874-Y878 HydrophobicContact CB-CE2 4.09Å; A874-Y878 WeakPolarHBondContact O-CD2 3.25Å; A874-Y878 PolarHBondContact O-N 3.23Å; A874-Q902 HydrophobicContact CB-CG 3.84Å
875S93.9Very high92.3Very high8 Ų842 Ų426%0.05619%0.187CC..Hα-helixtrans-55.7-47.1176.5-170.30000111V869 H871 F877 R879V869-S875 WeakPolarHBondContact O-CB 3.29Å; V869-S875 PolarHBondContact O-OG 3.1Å; H871-S875 VanDerWaalsContact O-CB 3.26Å; H871-S875 WeakPolarHBondContact O-CB 3.47Å; H871-S875 PolarHBondContact O-N 3.08Å; S875-F877 PolarHBondContact O-N 3.26Å; S875-R879 WeakPolarHBondContact O-CB 3.49Å; S875-R879 WeakPolarHBondContact O-CD 3.39Å; S875-R879 WeakPolarHBondContact O-CG 3.35Å; S875-R879 PolarHBondContact O-N 2.74Å; S875-R879 PolarHBondContact OG-NE 3.37Å; S875-R879 VanDerWaalsContact OG-NE 3.12Å; S875-R879 PolarHBondContact OG-NH2 3.01Å
876R91.8Very high91.9Very high181 Ų18145.1 Ų45.168%0.68320%0.203SC*.Hα-helixtrans-60-46.3175.6-178.5179174.1-174.7-1.7112.4F793 S872 K873 A874 M880F793-R876 HydrophobicContact CE2-CB 4.36Å; F793-R876 HydrophobicContact CE2-CG 4.18Å; S872-R876 WeakPolarHBondContact O-CB 3.39Å; S872-R876 PolarHBondContact O-N 3.44Å; K873-R876 PolarHBondContact O-N 3.22Å; A874-R876 VanDerWaalsContact C-N 3.32Å; A874-R876 PolarHBondContact O-N 3Å; R876-M880 WeakPolarHBondContact O-CB 3.46Å; R876-M880 PolarHBondContact O-N 3.04Å
877F93.1Very high91.6Very high0 Ų047.1 Ų47.10%022%0.217CC..Hα-helixtrans-63.9-51.4179.8-178.4-101.9000111.9F751 F759 V763 T790 F793 F794 K873 A874 S875 R879 M880 V881F751-F877 HydrophobicContact CE1-CB 3.89Å; F751-F877 HydrophobicContact CE1-CD1 4.23Å; F751-F877 HydrophobicContact CE1-CG 4.07Å; F751-F877 HydrophobicContact CZ-CB 4Å; F751-F877 AromaticContact CZ-CD1 3.74Å; F751-F877 HydrophobicContact CZ-CD1 3.74Å; F751-F877 HydrophobicContact CZ-CG 4.03Å; F759-F877 HydrophobicContact CE1-CD1 4.15Å; F759-F877 AromaticContact CE1-CE1 3.42Å; F759-F877 HydrophobicContact CE1-CE1 3.42Å; F759-F877 VanDerWaalsContact CE1-CE1 3.42Å; F759-F877 AromaticContact CE1-CZ 3.92Å; F759-F877 HydrophobicContact CE1-CZ 3.92Å; F759-F877 AromaticContact CZ-CE1 3.87Å; F759-F877 HydrophobicContact CZ-CE1 3.87Å; V763-F877 HydrophobicContact CG1-CZ 4.25Å; V763-F877 HydrophobicContact CG2-CZ 4.42Å; T790-F877 HydrophobicContact CG2-CE2 4.16Å; T790-F877 HydrophobicContact CG2-CZ 4.49Å; F793-F877 HydrophobicContact CB-CD2 4.36Å; F793-F877 AromaticContact CD1-CD2 3.6Å; F793-F877 HydrophobicContact CD1-CD2 3.6Å; F793-F877 HydrophobicContact CD1-CE2 4.27Å; F793-F877 HydrophobicContact CD1-CG 4.44Å; F793-F877 HydrophobicContact CD2-CB 4.37Å; F793-F877 HydrophobicContact CD2-CD2 4.21Å; F793-F877 HydrophobicContact CE1-CB 4.05Å; F793-F877 AromaticContact CE1-CD2 3.82Å; F793-F877 HydrophobicContact CE1-CD2 3.82Å; F793-F877 HydrophobicContact CE1-CG 4.23Å; F793-F877 HydrophobicContact CE2-CB 3.83Å; F793-F877 HydrophobicContact CE2-CD2 4.4Å; F793-F877 AromaticContact CG-CD2 3.8Å; F793-F877 HydrophobicContact CG-CD2 3.8Å; F793-F877 HydrophobicContact CZ-CB 3.64Å; F793-F877 HydrophobicContact CZ-CD2 4.2Å; F793-F877 HydrophobicContact CZ-CG 4.32Å; F794-F877 HydrophobicContact CD2-CE2 4.46Å; F794-F877 HydrophobicContact CE2-CD2 4.26Å; F794-F877 AromaticContact CE2-CE2 3.48Å; F794-F877 HydrophobicContact CE2-CE2 3.48Å; F794-F877 VanDerWaalsContact CE2-CE2 3.48Å; F794-F877 AromaticContact CE2-CZ 3.98Å; F794-F877 HydrophobicContact CE2-CZ 3.98Å; F794-F877 HydrophobicContact CZ-CD2 4.3Å; F794-F877 AromaticContact CZ-CE2 3.82Å; F794-F877 HydrophobicContact CZ-CE2 3.82Å; F794-F877 HydrophobicContact CZ-CZ 4.23Å; K873-F877 PolarHBondContact O-N 3.14Å; A874-F877 PolarHBondContact O-N 3.37Å; A874-F877 VanDerWaalsContact O-N 3.15Å; S875-F877 PolarHBondContact O-N 3.26Å; F877-R879 PolarHBondContact O-N 3.05Å; F877-M880 HydrophobicContact CE2-CE 4.45Å; F877-M880 WeakPolarHBondContact O-CB 3.43Å; F877-M880 PolarHBondContact O-N 3.29Å; F877-M880 VanDerWaalsContact O-N 3.15Å; F877-V881 HydrophobicContact CD1-CG2 4.31Å; F877-V881 HydrophobicContact CD2-CG2 4.36Å; F877-V881 HydrophobicContact CE1-CG2 3.84Å; F877-V881 HydrophobicContact CE2-CG2 3.9Å; F877-V881 HydrophobicContact CZ-CG2 3.64Å; F877-V881 WeakPolarHBondContact O-CG2 3.33Å; F877-V881 PolarHBondContact O-N 3.34Å
878Y94.6Very high91.4Very high5 Ų546 Ų462%0.0221%0.212CC..Hα-helixtrans-68.2-34.7-177.7-64.4-48.9000112.5F751 F759 V866 A874 M880 V881 S882 L895 H898 V899 Q902F751-Y878 AromaticContact CE2-CE2 3.81Å; F751-Y878 HydrophobicContact CE2-CE2 3.81Å; F751-Y878 AromaticContact CE2-CZ 3.73Å; F751-Y878 HydrophobicContact CZ-CE2 4.37Å; F759-Y878 HydrophobicContact CZ-CE1 4.18Å; V866-Y878 VanDerWaalsContact CG1-C 3.42Å; A874-Y878 HydrophobicContact CB-CD2 4.25Å; A874-Y878 HydrophobicContact CB-CE2 4.09Å; A874-Y878 WeakPolarHBondContact O-CD2 3.25Å; A874-Y878 PolarHBondContact O-N 3.23Å; Y878-M880 PolarHBondContact O-N 3.44Å; Y878-V881 PolarHBondContact O-N 2.99Å; Y878-S882 WeakPolarHBondContact O-CB 3.32Å; Y878-S882 PolarHBondContact O-N 3.27Å; Y878-S882 PolarHBondContact O-OG 3.19Å; Y878-L895 HydrophobicContact CD1-CD1 3.9Å; Y878-L895 HydrophobicContact CE1-CD1 4.05Å; Y878-H898 HydrophobicContact CE1-CB 4.2Å; Y878-H898 PolarHBondContact OH-O 2.98Å; Y878-H898 VanDerWaalsContact OH-O 3.11Å; Y878-V899 HydrophobicContact CD1-CG2 3.88Å; Y878-V899 HydrophobicContact CD2-CG2 4.09Å; Y878-V899 HydrophobicContact CE1-CG2 4.16Å; Y878-V899 HydrophobicContact CE2-CG2 4.34Å; Y878-V899 HydrophobicContact CG-CG2 3.85Å; Y878-Q902 HydrophobicContact CE2-CB 3.91Å; Y878-Q902 HydrophobicContact CE2-CG 4.14Å
879R91.7Very high91.3Very high126 Ų12644.3 Ų44.348%0.47521%0.206SC..Hα-helixtrans-59.7-37172.9-77.9174-170.8-167.81.4111.8V866 E867 S875 F877 S882 I883V866-R879 VanDerWaalsContact CG1-CA 3.46Å; V866-R879 HydrophobicContact CG1-CB 4.07Å; V866-R879 HydrophobicContact CG1-CG 3.47Å; V866-R879 VanDerWaalsContact CG1-CG 3.47Å; E867-R879 PolarHBondContact O-NH2 3.15Å; S875-R879 WeakPolarHBondContact O-CB 3.49Å; S875-R879 WeakPolarHBondContact O-CD 3.39Å; S875-R879 WeakPolarHBondContact O-CG 3.35Å; S875-R879 PolarHBondContact O-N 2.74Å; S875-R879 PolarHBondContact OG-NE 3.37Å; S875-R879 VanDerWaalsContact OG-NE 3.12Å; S875-R879 PolarHBondContact OG-NH2 3.01Å; F877-R879 PolarHBondContact O-N 3.05Å; R879-S882 PolarHBondContact O-OG 2.85Å; R879-I883 WeakPolarHBondContact O-CD1 3.46Å; R879-I883 WeakPolarHBondContact O-CG1 3.48Å
880M89.7Confident91Very high22 Ų2245.8 Ų45.811%0.10822%0.217CC..Hα-helixtrans-75.5-44.5-178.9178.4-145.998.800112.1E789 T790 F793 R876 F877 Y878E789-M880 HydrophobicContact CB-CE 3.56Å; E789-M880 HydrophobicContact CB-CG 3.29Å; E789-M880 HydrophobicContact CB-SD 3.2Å; E789-M880 WeakPolarHBondContact CB-SD 3.14Å; E789-M880 HydrophobicContact CG-CG 4.06Å; E789-M880 HydrophobicContact CG-SD 4.46Å; E789-M880 VanDerWaalsContact O-SD 3.34Å; T790-M880 VanDerWaalsContact CA-CE 3.49Å; T790-M880 VanDerWaalsContact OG1-CE 3.25Å; T790-M880 WeakPolarHBondContact OG1-CE 3.44Å; F793-M880 HydrophobicContact CB-SD 4.39Å; R876-M880 WeakPolarHBondContact O-CB 3.46Å; R876-M880 PolarHBondContact O-N 3.04Å; F877-M880 HydrophobicContact CE2-CE 4.45Å; F877-M880 WeakPolarHBondContact O-CB 3.43Å; F877-M880 PolarHBondContact O-N 3.29Å; F877-M880 VanDerWaalsContact O-N 3.15Å; Y878-M880 PolarHBondContact O-N 3.44Å
881V91.8Very high90.9Very high0 Ų037.6 Ų37.60%019%0.186CC..Hα-helixtrans-75.5-38.1-180-176.60000112V763 F877 Y878 I883 I884 F891 L895V763-V881 HydrophobicContact CG1-CG1 4.4Å; F877-V881 HydrophobicContact CD1-CG2 4.31Å; F877-V881 HydrophobicContact CD2-CG2 4.36Å; F877-V881 HydrophobicContact CE1-CG2 3.84Å; F877-V881 HydrophobicContact CE2-CG2 3.9Å; F877-V881 HydrophobicContact CZ-CG2 3.64Å; F877-V881 WeakPolarHBondContact O-CG2 3.33Å; F877-V881 PolarHBondContact O-N 3.34Å; Y878-V881 PolarHBondContact O-N 2.99Å; V881-I883 PolarHBondContact O-N 3.48Å; V881-I884 WeakPolarHBondContact O-CG2 3.46Å; V881-I884 PolarHBondContact O-N 3.15Å; V881-F891 HydrophobicContact CG1-CE1 3.54Å; V881-F891 HydrophobicContact CG1-CZ 3.77Å; V881-L895 HydrophobicContact CG1-CD1 4.47Å; V881-L895 HydrophobicContact CG1-CD2 4.35Å
882S92.3Very high91Very high2 Ų235.5 Ų35.51%0.01418%0.176CC..G310 helixtrans-64-13.8-17561.50000114.8Y878 R879 I884 V885Y878-S882 WeakPolarHBondContact O-CB 3.32Å; Y878-S882 PolarHBondContact O-N 3.27Å; Y878-S882 PolarHBondContact O-OG 3.19Å; R879-S882 PolarHBondContact O-OG 2.85Å; S882-I884 PolarHBondContact O-N 3.38Å; S882-V885 WeakPolarHBondContact O-CB 3.25Å; S882-V885 PolarHBondContact O-N 3.12Å; S882-V885 VanDerWaalsContact O-N 3.13Å
883I88.4Confident91Very high30 Ų3033.2 Ų33.215%0.15416%0.159CC..G310 helixtrans-62.6-28178.3-62.6163.4000111.6F832 R879 V881 V885 D886F832-I883 HydrophobicContact CB-CD1 3.77Å; F832-I883 HydrophobicContact CB-CG2 4.41Å; F832-I883 HydrophobicContact CD1-CB 4.09Å; F832-I883 HydrophobicContact CD1-CD1 4.24Å; F832-I883 HydrophobicContact CD1-CG2 3.29Å; F832-I883 HydrophobicContact CD2-CB 4.27Å; F832-I883 HydrophobicContact CD2-CD1 3.32Å; F832-I883 HydrophobicContact CD2-CG1 4.37Å; F832-I883 HydrophobicContact CD2-CG2 4.29Å; F832-I883 HydrophobicContact CE1-CB 3.92Å; F832-I883 HydrophobicContact CE1-CG2 3.37Å; F832-I883 HydrophobicContact CE2-CB 4.1Å; F832-I883 HydrophobicContact CE2-CD1 3.85Å; F832-I883 HydrophobicContact CE2-CG2 4.35Å; F832-I883 HydrophobicContact CG-CB 4.24Å; F832-I883 HydrophobicContact CG-CD1 3.52Å; F832-I883 HydrophobicContact CG-CG1 4.43Å; F832-I883 HydrophobicContact CG-CG2 3.77Å; F832-I883 HydrophobicContact CZ-CB 3.91Å; F832-I883 HydrophobicContact CZ-CD1 4.48Å; F832-I883 HydrophobicContact CZ-CG2 3.91Å; R879-I883 WeakPolarHBondContact O-CD1 3.46Å; R879-I883 WeakPolarHBondContact O-CG1 3.48Å; V881-I883 PolarHBondContact O-N 3.48Å; I883-V885 PolarHBondContact O-N 2.78Å; I883-V885 VanDerWaalsContact O-N 3.08Å; I883-D886 PolarHBondContact O-N 2.92Å; I883-D886 VanDerWaalsContact O-N 3.14Å
884I90Very high91Very high0 Ų032.3 Ų32.30%016%0.155CC..G310 helixtrans-54.7-30.6175.9-167.6173000112.4L767 C783 V881 S882 D886 S887 E888 F891L767-I884 HydrophobicContact CD2-CD1 3.46Å; L767-I884 VanDerWaalsContact CD2-CD1 3.46Å; C783-I884 HydrophobicContact CB-CD1 4.43Å; C783-I884 WeakPolarHBondContact SG-CD1 3.17Å; V881-I884 WeakPolarHBondContact O-CG2 3.46Å; V881-I884 PolarHBondContact O-N 3.15Å; S882-I884 PolarHBondContact O-N 3.38Å; I884-D886 PolarHBondContact O-N 3.02Å; I884-S887 PolarHBondContact O-N 2.98Å; I884-E888 HydrophobicContact CG1-CB 4.26Å; I884-E888 PolarHBondContact O-N 2.74Å; I884-F891 HydrophobicContact CD1-CG 4.4Å; I884-F891 HydrophobicContact CG2-CB 4.01Å; I884-F891 HydrophobicContact CG2-CD1 3.34Å; I884-F891 HydrophobicContact CG2-CE1 3.97Å; I884-F891 HydrophobicContact CG2-CG 3.77Å
885V90.6Very high91.1Very high0 Ų032.3 Ų32.30%016%0.155CC..G310 helixtrans-67-18.9-175.81790000113.2L862 S882 I883 S887 E888 I889 A892L862-V885 HydrophobicContact CD2-CG2 3.83Å; S882-V885 WeakPolarHBondContact O-CB 3.25Å; S882-V885 PolarHBondContact O-N 3.12Å; S882-V885 VanDerWaalsContact O-N 3.13Å; I883-V885 PolarHBondContact O-N 2.78Å; I883-V885 VanDerWaalsContact O-N 3.08Å; V885-S887 VanDerWaalsContact C-N 3.28Å; V885-E888 WeakPolarHBondContact CA-O 3.25Å; V885-I889 HydrophobicContact CG1-CD1 3.34Å; V885-A892 HydrophobicContact CG1-CB 4.06Å; V885-A892 HydrophobicContact CG2-CB 4.07Å
886D87Confident91.3Very high65 Ų6531.9 Ų31.935%0.34815%0.152SC..G310 helixtrans-68.4-31.2171.7-70.6-27.2000111.9R835 I883 I884R835-D886 IonicContact CZ-OD1 3.74Å; R835-D886 IonicContact CZ-OD2 3.82Å; R835-D886 IonicContact NE-OD1 2.74Å; R835-D886 IonicContact NE-OD2 3.3Å; R835-D886 PolarHBondContact NE-OD2 3.39Å; R835-D886 IonicContact NH2-OD1 2.84Å; R835-D886 PolarHBondContact NH2-OD1 3.33Å; R835-D886 IonicContact NH2-OD2 3.33Å; I883-D886 PolarHBondContact O-N 2.92Å; I883-D886 VanDerWaalsContact O-N 3.14Å; I884-D886 PolarHBondContact O-N 3.02Å
887S86.6Confident91.4Very high43 Ų4323.8 Ų23.830%0.30112%0.123SC..THydrogen-bonded Turntrans-100.5-39.3179-56.10000112.5I884 V885I884-S887 PolarHBondContact O-N 2.98Å; V885-S887 VanDerWaalsContact C-N 3.28Å
888E87.5Confident91.6Very high39 Ų3924.2 Ų24.218%0.18213%0.125CC..  trans-135.597.8-172.3-174.352-119.800111.1Y770 V779 I884 V885 S890Y770-E888 HydrophobicContact CD1-CG 3.4Å; Y770-E888 HydrophobicContact CE1-CG 3.76Å; Y770-E888 HydrophobicContact CG-CG 4.21Å; V779-E888 HydrophobicContact CG1-CB 4.23Å; V779-E888 HydrophobicContact CG1-CG 4.49Å; I884-E888 HydrophobicContact CG1-CB 4.26Å; I884-E888 PolarHBondContact O-N 2.74Å; V885-E888 WeakPolarHBondContact CA-O 3.25Å; E888-S890 VanDerWaalsContact C-N 3.3Å; E888-S890 PolarHBondContact O-N 3.25Å; E888-S890 VanDerWaalsContact OE1-CB 3.3Å; E888-S890 WeakPolarHBondContact OE1-CB 3.36Å; E888-S890 PolarHBondContact OE1-N 3.48Å; E888-S890 PolarHBondContact OE1-OG 2.98Å
889I90.9Very high91.6Very high34 Ų3424 Ų2417%0.17412%0.124CC..G310 helixtrans-72.6-22.9-174-167.459.7000112.9L858 R859 V885 F891 A892L858-I889 HydrophobicContact CB-CD1 3.61Å; L858-I889 HydrophobicContact CB-CG1 4.28Å; R859-I889 HydrophobicContact CB-CD1 4.16Å; V885-I889 HydrophobicContact CG1-CD1 3.34Å; I889-F891 PolarHBondContact O-N 3.09Å; I889-F891 VanDerWaalsContact O-N 3.15Å; I889-A892 HydrophobicContact CD1-CB 4.18Å; I889-A892 VanDerWaalsContact O-CB 3.28Å; I889-A892 WeakPolarHBondContact O-CB 3.44Å; I889-A892 PolarHBondContact O-N 3.41Å
890S87.5Confident91.9Very high38 Ų3818.1 Ų18.127%0.26610%0.102SC..G310 helixtrans-66.3-14.7-178.2-68.70000113.6T708 Y770 E888 A892 P893T708-S890 WeakPolarHBondContact CG2-OG 3.33Å; Y770-S890 VanDerWaalsContact OH-C 3.25Å; Y770-S890 PolarHBondContact OH-O 3.21Å; E888-S890 VanDerWaalsContact C-N 3.3Å; E888-S890 PolarHBondContact O-N 3.25Å; E888-S890 VanDerWaalsContact OE1-CB 3.3Å; E888-S890 WeakPolarHBondContact OE1-CB 3.36Å; E888-S890 PolarHBondContact OE1-N 3.48Å; E888-S890 PolarHBondContact OE1-OG 2.98Å; S890-A892 VanDerWaalsContact C-N 3.34Å; S890-P893 WeakPolarHBondContact O-CD 3.48Å
891F92.2Very high92.2Very high0 Ų017.2 Ų17.20%010%0.098CC..G310 helixtrans-74.8-22.1170.6-171-98.1000113.3E766 L767 Y770 V881 I884 I889 F894 L895E766-F891 HydrophobicContact CB-CE2 4.17Å; E766-F891 HydrophobicContact CG-CD2 4.1Å; E766-F891 HydrophobicContact CG-CE2 3.83Å; L767-F891 HydrophobicContact CD2-CD2 4.05Å; L767-F891 HydrophobicContact CD2-CE1 4.38Å; L767-F891 HydrophobicContact CD2-CE2 3.56Å; L767-F891 HydrophobicContact CD2-CZ 3.75Å; L767-F891 HydrophobicContact CG-CE2 3.88Å; L767-F891 HydrophobicContact CG-CZ 4.09Å; Y770-F891 AromaticContact CD2-CD2 3.91Å; Y770-F891 HydrophobicContact CD2-CD2 3.91Å; Y770-F891 HydrophobicContact CE2-CB 4.19Å; Y770-F891 AromaticContact CE2-CD2 3.62Å; Y770-F891 HydrophobicContact CE2-CD2 3.62Å; Y770-F891 HydrophobicContact CE2-CG 4.4Å; V881-F891 HydrophobicContact CG1-CE1 3.54Å; V881-F891 HydrophobicContact CG1-CZ 3.77Å; I884-F891 HydrophobicContact CD1-CG 4.4Å; I884-F891 HydrophobicContact CG2-CB 4.01Å; I884-F891 HydrophobicContact CG2-CD1 3.34Å; I884-F891 HydrophobicContact CG2-CE1 3.97Å; I884-F891 HydrophobicContact CG2-CG 3.77Å; I889-F891 PolarHBondContact O-N 3.09Å; I889-F891 VanDerWaalsContact O-N 3.15Å; F891-F894 HydrophobicContact CD2-CD1 4.22Å; F891-F894 HydrophobicContact CE1-CD1 4.17Å; F891-F894 AromaticContact CE2-CD1 3.56Å; F891-F894 HydrophobicContact CE2-CD1 3.56Å; F891-F894 AromaticContact CE2-CE1 3.95Å; F891-F894 HydrophobicContact CE2-CE1 3.95Å; F891-F894 AromaticContact CZ-CD1 3.54Å; F891-F894 HydrophobicContact CZ-CD1 3.54Å; F891-F894 AromaticContact CZ-CE1 3.75Å; F891-F894 HydrophobicContact CZ-CE1 3.75Å; F891-F894 WeakPolarHBondContact O-CB 3.42Å; F891-F894 PolarHBondContact O-N 3.21Å; F891-L895 HydrophobicContact CD1-CB 4.14Å; F891-L895 HydrophobicContact CE1-CB 3.81Å; F891-L895 HydrophobicContact CE1-CD1 4.3Å; F891-L895 HydrophobicContact CE1-CD2 4.08Å; F891-L895 HydrophobicContact CE1-CG 4.27Å; F891-L895 PolarHBondContact O-N 3.31Å
892A94.1Very high92.3Very high0 Ų017.7 Ų17.70%010%0.1CC..Hα-helixtrans-62-44-17500000113.9L858 L862 V885 I889 S890 F894 L895 L896L858-A892 HydrophobicContact CB-CB 4.17Å; L858-A892 HydrophobicContact CD1-CB 4.26Å; L862-A892 HydrophobicContact CD2-CB 3.7Å; V885-A892 HydrophobicContact CG1-CB 4.06Å; V885-A892 HydrophobicContact CG2-CB 4.07Å; I889-A892 HydrophobicContact CD1-CB 4.18Å; I889-A892 VanDerWaalsContact O-CB 3.28Å; I889-A892 WeakPolarHBondContact O-CB 3.44Å; I889-A892 PolarHBondContact O-N 3.41Å; S890-A892 VanDerWaalsContact C-N 3.34Å; A892-F894 PolarHBondContact O-N 2.78Å; A892-L895 PolarHBondContact O-N 2.85Å; A892-L895 VanDerWaalsContact O-N 3.17Å; A892-L896 WeakPolarHBondContact O-CB 3.29Å; A892-L896 PolarHBondContact O-N 3.35Å
893P91.5Very high92.5Very high47 Ų4717.7 Ų17.731%0.30510%0.1SC..Hα-helixtrans-59.9-26.2175.7-25.735.7000114.7L858 S890 P897L858-P893 HydrophobicContact CD1-CG 4.35Å; S890-P893 WeakPolarHBondContact O-CD 3.48Å; P893-P897 WeakPolarHBondContact O-CD 3.38Å
894F92.8Very high92.7Very high38 Ų3816.3 Ų16.317%0.1679%0.093CC..Hα-helixtrans-75.4-46.9173166-97.5000111.5V762 V763 E766 F891 A892 P897 H898V762-F894 HydrophobicContact CG1-CE2 3.68Å; V762-F894 HydrophobicContact CG1-CZ 3.87Å; V763-F894 HydrophobicContact CG2-CE1 4.03Å; V763-F894 HydrophobicContact CG2-CZ 4.06Å; E766-F894 HydrophobicContact CB-CD1 4.33Å; E766-F894 HydrophobicContact CB-CD2 4.49Å; E766-F894 HydrophobicContact CB-CE1 4.14Å; E766-F894 HydrophobicContact CB-CE2 4.31Å; E766-F894 HydrophobicContact CB-CZ 4.13Å; E766-F894 HydrophobicContact CG-CB 4.28Å; E766-F894 HydrophobicContact CG-CD1 3.86Å; E766-F894 HydrophobicContact CG-CD2 3.96Å; E766-F894 HydrophobicContact CG-CE1 4.17Å; E766-F894 HydrophobicContact CG-CE2 4.28Å; E766-F894 HydrophobicContact CG-CG 3.75Å; E766-F894 HydrophobicContact CG-CZ 4.38Å; F891-F894 HydrophobicContact CD2-CD1 4.22Å; F891-F894 HydrophobicContact CE1-CD1 4.17Å; F891-F894 AromaticContact CE2-CD1 3.56Å; F891-F894 HydrophobicContact CE2-CD1 3.56Å; F891-F894 AromaticContact CE2-CE1 3.95Å; F891-F894 HydrophobicContact CE2-CE1 3.95Å; F891-F894 AromaticContact CZ-CD1 3.54Å; F891-F894 HydrophobicContact CZ-CD1 3.54Å; F891-F894 AromaticContact CZ-CE1 3.75Å; F891-F894 HydrophobicContact CZ-CE1 3.75Å; F891-F894 WeakPolarHBondContact O-CB 3.42Å; F891-F894 PolarHBondContact O-N 3.21Å; A892-F894 PolarHBondContact O-N 2.78Å; F894-P897 WeakPolarHBondContact O-CD 3.38Å; F894-H898 AromaticContact CE2-NE2 3.97Å; F894-H898 PolarHBondContact O-CD2 3.18Å
895L95.7Very high92.9Very high0 Ų017.3 Ų17.30%010%0.097CC..Hα-helixtrans-75.6-35.4-174.7-169.863.6000113.2L862 Y878 V881 F891 A892 H898 V899L862-L895 HydrophobicContact CD1-CD2 4.4Å; L862-L895 HydrophobicContact CD1-CG 4.48Å; L862-L895 HydrophobicContact CD2-CB 4.36Å; L862-L895 HydrophobicContact CD2-CD2 4.24Å; Y878-L895 HydrophobicContact CD1-CD1 3.9Å; Y878-L895 HydrophobicContact CE1-CD1 4.05Å; V881-L895 HydrophobicContact CG1-CD1 4.47Å; V881-L895 HydrophobicContact CG1-CD2 4.35Å; F891-L895 HydrophobicContact CD1-CB 4.14Å; F891-L895 HydrophobicContact CE1-CB 3.81Å; F891-L895 HydrophobicContact CE1-CD1 4.3Å; F891-L895 HydrophobicContact CE1-CD2 4.08Å; F891-L895 HydrophobicContact CE1-CG 4.27Å; F891-L895 PolarHBondContact O-N 3.31Å; A892-L895 PolarHBondContact O-N 2.85Å; A892-L895 VanDerWaalsContact O-N 3.17Å; L895-H898 WeakPolarHBondContact O-CB 3.3Å; L895-H898 PolarHBondContact O-N 2.93Å; L895-H898 VanDerWaalsContact O-N 3.09Å; L895-V899 HydrophobicContact CG-CG2 4.12Å; L895-V899 PolarHBondContact O-N 3.04Å
896L96.7Very high93Very high0 Ų018.9 Ų18.90%010%0.104CC..Hα-helixtrans-56.6-46.7-171.6177.969.6000113.9L858 W861 L862 L865 A892 H898 V899 I900 V940 V944L858-L896 HydrophobicContact CD2-CD2 4.09Å; W861-L896 HydrophobicContact CE3-CD1 4.18Å; W861-L896 HydrophobicContact CE3-CD2 4.04Å; W861-L896 HydrophobicContact CH2-CD2 4.43Å; W861-L896 HydrophobicContact CZ3-CD1 4.19Å; W861-L896 HydrophobicContact CZ3-CD2 3.63Å; W861-L896 HydrophobicContact CZ3-CG 4.46Å; L862-L896 HydrophobicContact CB-CD1 4.41Å; L862-L896 HydrophobicContact CD1-CB 4.38Å; L862-L896 HydrophobicContact CD1-CD1 4.08Å; L865-L896 HydrophobicContact CD1-CD1 3.94Å; A892-L896 WeakPolarHBondContact O-CB 3.29Å; A892-L896 PolarHBondContact O-N 3.35Å; L896-H898 PolarHBondContact O-N 3.37Å; L896-V899 PolarHBondContact O-N 2.95Å; L896-V899 VanDerWaalsContact O-N 3.16Å; L896-I900 HydrophobicContact CD1-CD1 3.79Å; L896-I900 HydrophobicContact CD1-CG1 4.09Å; L896-I900 HydrophobicContact CD2-CD1 4.44Å; L896-I900 HydrophobicContact CG-CD1 3.83Å; L896-I900 HydrophobicContact CG-CG1 4.42Å; L896-I900 WeakPolarHBondContact O-CG1 3.37Å; L896-I900 PolarHBondContact O-N 3.06Å; L896-V940 HydrophobicContact CD2-CG1 3.68Å; L896-V944 HydrophobicContact CD2-CG2 4.02Å; L896-V944 HydrophobicContact CG-CG2 4.09Å
897P95.6Very high93.2Very high10 Ų1019.7 Ų19.77%0.06511%0.109CC..Hα-helixtrans-56.1-36.1175.6-24.131.8000113.7P893 F894 L901 V944 F947P893-P897 WeakPolarHBondContact O-CD 3.38Å; F894-P897 WeakPolarHBondContact O-CD 3.38Å; P897-L901 VanDerWaalsContact O-CB 3.3Å; P897-L901 WeakPolarHBondContact O-CB 3.11Å; P897-L901 PolarHBondContact O-N 3.03Å; P897-V944 HydrophobicContact CB-CG2 4.39Å; P897-V944 HydrophobicContact CG-CG2 3.91Å; P897-F947 HydrophobicContact CB-CB 3.88Å; P897-F947 HydrophobicContact CB-CD1 3.47Å; P897-F947 VanDerWaalsContact CB-CD1 3.47Å; P897-F947 HydrophobicContact CB-CD2 4.42Å; P897-F947 HydrophobicContact CB-CE1 4.1Å; P897-F947 HydrophobicContact CB-CG 3.66Å
898H95.7Very high93.5Very high10 Ų1019 Ų195%0.04610%0.101CC..Hα-helixtrans-71.9-36.9178.8-59.9-66.2000112.7P747 F759 Y878 F894 L895 L896 Q902 F947P747-H898 PolarHBondContact O-CE1 2.9Å; F759-H898 HydrophobicContact CE2-CB 4.3Å; F759-H898 AromaticContact CE2-CD2 3.9Å; F759-H898 AromaticContact CE2-CE1 3.86Å; F759-H898 AromaticContact CE2-CG 3.73Å; F759-H898 AromaticContact CE2-ND1 3.7Å; F759-H898 AromaticContact CE2-NE2 3.97Å; Y878-H898 HydrophobicContact CE1-CB 4.2Å; Y878-H898 PolarHBondContact OH-O 2.98Å; Y878-H898 VanDerWaalsContact OH-O 3.11Å; F894-H898 AromaticContact CE2-NE2 3.97Å; F894-H898 PolarHBondContact O-CD2 3.18Å; L895-H898 WeakPolarHBondContact O-CB 3.3Å; L895-H898 PolarHBondContact O-N 2.93Å; L895-H898 VanDerWaalsContact O-N 3.09Å; L896-H898 PolarHBondContact O-N 3.37Å; H898-Q902 PolarHBondContact O-N 3.11Å; H898-Q902 VanDerWaalsContact O-N 3.11Å; H898-F947 AromaticContact CE1-CE2 3.72Å; H898-F947 AromaticContact CE1-CZ 3.52Å; H898-F947 AromaticContact ND1-CZ 3.43Å; H898-F947 WeakPolarHBondContact ND1-CZ 3.29Å
899V96.3Very high93.7Very high0 Ų019.4 Ų19.40%010%0.102CC..Hα-helixtrans-69.2-42.4175.5177.10000110.6L862 L865 V866 V869 Y878 L895 L896 Q902 K903L862-V899 HydrophobicContact CD1-CB 4.21Å; L862-V899 HydrophobicContact CD1-CG2 3.82Å; L865-V899 HydrophobicContact CB-CG1 3.9Å; V866-V899 HydrophobicContact CG2-CG1 3.89Å; V866-V899 HydrophobicContact CG2-CG2 3.78Å; V869-V899 HydrophobicContact CG2-CG1 4.26Å; Y878-V899 HydrophobicContact CD1-CG2 3.88Å; Y878-V899 HydrophobicContact CD2-CG2 4.09Å; Y878-V899 HydrophobicContact CE1-CG2 4.16Å; Y878-V899 HydrophobicContact CE2-CG2 4.34Å; Y878-V899 HydrophobicContact CG-CG2 3.85Å; L895-V899 HydrophobicContact CG-CG2 4.12Å; L895-V899 PolarHBondContact O-N 3.04Å; L896-V899 PolarHBondContact O-N 2.95Å; L896-V899 VanDerWaalsContact O-N 3.16Å; V899-Q902 PolarHBondContact O-N 3.41Å; V899-K903 PolarHBondContact O-N 2.66Å
900I96.6Very high93.7Very high2 Ų220.8 Ų20.81%0.0112%0.119CC..Hα-helixtrans-66-41.2176.9-68.9176.2000110.8W861 L865 L896 Q902 K903 A904 I912 V944 L948W861-I900 HydrophobicContact CH2-CD1 3.97Å; W861-I900 HydrophobicContact CZ2-CD1 4.3Å; L865-I900 HydrophobicContact CD1-CG1 4.05Å; L896-I900 HydrophobicContact CD1-CD1 3.79Å; L896-I900 HydrophobicContact CD1-CG1 4.09Å; L896-I900 HydrophobicContact CD2-CD1 4.44Å; L896-I900 HydrophobicContact CG-CD1 3.83Å; L896-I900 HydrophobicContact CG-CG1 4.42Å; L896-I900 WeakPolarHBondContact O-CG1 3.37Å; L896-I900 PolarHBondContact O-N 3.06Å; I900-Q902 VanDerWaalsContact C-N 3.3Å; I900-Q902 PolarHBondContact O-N 2.87Å; I900-K903 PolarHBondContact O-N 3.25Å; I900-K903 VanDerWaalsContact O-N 3.16Å; I900-A904 WeakPolarHBondContact O-CB 3.46Å; I900-A904 PolarHBondContact O-N 2.94Å; I900-I912 HydrophobicContact CD1-CG2 4.28Å; I900-I912 HydrophobicContact CG1-CD1 4.3Å; I900-I912 HydrophobicContact CG1-CG2 4.44Å; I900-I912 HydrophobicContact CG2-CD1 4.31Å; I900-I912 HydrophobicContact CG2-CG2 4.24Å; I900-V944 HydrophobicContact CB-CG1 4.18Å; I900-V944 HydrophobicContact CD1-CB 4.48Å; I900-V944 HydrophobicContact CD1-CG1 3.66Å; I900-V944 HydrophobicContact CD1-CG2 4.06Å; I900-V944 HydrophobicContact CG2-CG1 3.95Å; I900-L948 HydrophobicContact CG2-CD1 3.98Å
901L95.8Very high93.9Very high4 Ų422.2 Ų22.22%0.02112%0.121CC..Hα-helixtrans-56.4-45173.2-179.267.9000111.4F748 P897 K903 A904 F905 F947 L948 W951 V968F748-L901 HydrophobicContact CB-CD2 3.88Å; F748-L901 HydrophobicContact CD2-CD2 4.36Å; F748-L901 HydrophobicContact CG-CD2 4.4Å; P897-L901 VanDerWaalsContact O-CB 3.3Å; P897-L901 WeakPolarHBondContact O-CB 3.11Å; P897-L901 PolarHBondContact O-N 3.03Å; L901-K903 PolarHBondContact O-N 3.38Å; L901-A904 PolarHBondContact O-N 3.3Å; L901-F905 HydrophobicContact CD1-CD1 4.14Å; L901-F905 HydrophobicContact CD1-CE1 3.47Å; L901-F905 VanDerWaalsContact CD1-CE1 3.47Å; L901-F905 HydrophobicContact CD1-CZ 4.04Å; L901-F905 HydrophobicContact CD2-CE1 4.35Å; L901-F905 HydrophobicContact CD2-CZ 4.07Å; L901-F905 HydrophobicContact CG-CD1 4.3Å; L901-F905 HydrophobicContact CG-CE1 3.72Å; L901-F905 HydrophobicContact CG-CZ 3.89Å; L901-F905 VanDerWaalsContact O-CD1 3.3Å; L901-F905 WeakPolarHBondContact O-CD1 3.2Å; L901-F905 PolarHBondContact O-N 3.08Å; L901-F947 HydrophobicContact CB-CE1 4.14Å; L901-F947 HydrophobicContact CD2-CE1 3.83Å; L901-F947 HydrophobicContact CD2-CZ 4.26Å; L901-F947 HydrophobicContact CG-CE1 4.49Å; L901-L948 HydrophobicContact CB-CD2 3.83Å; L901-L948 HydrophobicContact CD1-CD2 3.67Å; L901-L948 HydrophobicContact CG-CD2 4.37Å; L901-W951 HydrophobicContact CD1-CD2 3.71Å; L901-W951 HydrophobicContact CD1-CE3 3.81Å; L901-W951 HydrophobicContact CD1-CG 4.02Å; L901-W951 HydrophobicContact CD1-CZ3 4.35Å; L901-W951 HydrophobicContact CD2-CD2 4.42Å; L901-W951 HydrophobicContact CD2-CG 4.17Å; L901-V968 HydrophobicContact CD1-CG2 3.96Å
902Q95.5Very high94Very high10 Ų1022.3 Ų22.35%0.04712%0.121CC..Hα-helixtrans-62.8-40.6177.1-179.560.846.400112.4V869 H871 A874 Y878 H898 V899 I900 A904 F905 E906V869-Q902 HydrophobicContact CG1-CG 3.73Å; H871-Q902 VanDerWaalsContact CB-NE2 3.32Å; A874-Q902 HydrophobicContact CB-CG 3.84Å; Y878-Q902 HydrophobicContact CE2-CB 3.91Å; Y878-Q902 HydrophobicContact CE2-CG 4.14Å; H898-Q902 PolarHBondContact O-N 3.11Å; H898-Q902 VanDerWaalsContact O-N 3.11Å; V899-Q902 PolarHBondContact O-N 3.41Å; I900-Q902 VanDerWaalsContact C-N 3.3Å; I900-Q902 PolarHBondContact O-N 2.87Å; Q902-A904 VanDerWaalsContact C-N 3.34Å; Q902-F905 WeakPolarHBondContact O-CB 3.46Å; Q902-F905 PolarHBondContact O-N 3.13Å; Q902-E906 PolarHBondContact NE2-OE1 2.81Å; Q902-E906 WeakPolarHBondContact O-CG 3.28Å; Q902-E906 PolarHBondContact O-N 3.45Å
903K95.2Very high94.1Very high1 Ų123 Ų230%0.00413%0.126CC..Hα-helixtrans-65.7-36.3174.9-77.9-80-69.1162.80112.3V869 V899 I900 L901 E906 N907 D908 I912V869-K903 HydrophobicContact CG2-CG 4.41Å; V899-K903 PolarHBondContact O-N 2.66Å; I900-K903 PolarHBondContact O-N 3.25Å; I900-K903 VanDerWaalsContact O-N 3.16Å; L901-K903 PolarHBondContact O-N 3.38Å; K903-E906 WeakPolarHBondContact O-CB 3.43Å; K903-E906 PolarHBondContact O-N 3.26Å; K903-N907 PolarHBondContact O-N 2.88Å; K903-D908 WeakPolarHBondContact CE-O 3.48Å; K903-D908 PolarHBondContact NZ-O 2.9Å; K903-D908 IonicContact NZ-OD1 3.6Å; K903-D908 PolarHBondContact NZ-OD1 3.47Å; K903-D908 IonicContact NZ-OD2 2.74Å; K903-D908 PolarHBondContact NZ-OD2 3.01Å; K903-D908 PolarHBondContact O-N 2.69Å; K903-D908 VanDerWaalsContact O-N 3.12Å; K903-I912 HydrophobicContact CB-CD1 3.52Å; K903-I912 HydrophobicContact CG-CD1 3.99Å
904A93.7Very high94.2Very high1 Ų125.4 Ų25.41%0.00814%0.136CC..Hα-helixtrans-67.3-37.617400000112.1I900 L901 Q902 E906 N907 F967 V968I900-A904 WeakPolarHBondContact O-CB 3.46Å; I900-A904 PolarHBondContact O-N 2.94Å; L901-A904 PolarHBondContact O-N 3.3Å; Q902-A904 VanDerWaalsContact C-N 3.34Å; A904-E906 PolarHBondContact O-N 2.96Å; A904-N907 PolarHBondContact O-N 3.19Å; A904-F967 VanDerWaalsContact O-CB 3.29Å; A904-F967 WeakPolarHBondContact O-CB 3.23Å; A904-V968 HydrophobicContact CB-CG2 3.76Å
905F93.3Very high94.4Very high22 Ų2223.8 Ų23.810%0.09613%0.129CC..Hα-helixtrans-59.2-29.6171.4-73.15.8000112.5F748 L901 Q902 N907 W951 F961 Q964 V968F748-F905 HydrophobicContact CD2-CZ 4.37Å; F748-F905 HydrophobicContact CE2-CZ 4.42Å; L901-F905 HydrophobicContact CD1-CD1 4.14Å; L901-F905 HydrophobicContact CD1-CE1 3.47Å; L901-F905 VanDerWaalsContact CD1-CE1 3.47Å; L901-F905 HydrophobicContact CD1-CZ 4.04Å; L901-F905 HydrophobicContact CD2-CE1 4.35Å; L901-F905 HydrophobicContact CD2-CZ 4.07Å; L901-F905 HydrophobicContact CG-CD1 4.3Å; L901-F905 HydrophobicContact CG-CE1 3.72Å; L901-F905 HydrophobicContact CG-CZ 3.89Å; L901-F905 VanDerWaalsContact O-CD1 3.3Å; L901-F905 WeakPolarHBondContact O-CD1 3.2Å; L901-F905 PolarHBondContact O-N 3.08Å; Q902-F905 WeakPolarHBondContact O-CB 3.46Å; Q902-F905 PolarHBondContact O-N 3.13Å; F905-N907 VanDerWaalsContact C-N 3.27Å; F905-W951 HydrophobicContact CD1-CH2 4.35Å; F905-W951 HydrophobicContact CE1-CD2 4.43Å; F905-W951 AromaticContact CE1-CE2 3.88Å; F905-W951 HydrophobicContact CE1-CE3 4.39Å; F905-W951 AromaticContact CE1-CH2 3.33Å; F905-W951 HydrophobicContact CE1-CH2 3.33Å; F905-W951 AromaticContact CE1-CZ2 3.33Å; F905-W951 HydrophobicContact CE1-CZ2 3.33Å; F905-W951 AromaticContact CE1-CZ3 3.87Å; F905-W951 HydrophobicContact CE1-CZ3 3.87Å; F905-W951 AromaticContact CZ-CE2 3.74Å; F905-W951 AromaticContact CZ-CH2 3.81Å; F905-W951 HydrophobicContact CZ-CH2 3.81Å; F905-W951 AromaticContact CZ-CZ2 3.29Å; F905-W951 HydrophobicContact CZ-CZ2 3.29Å; F905-F961 HydrophobicContact CE2-CE1 4.5Å; F905-Q964 HydrophobicContact CB-CG 4.05Å; F905-Q964 HydrophobicContact CD1-CB 3.62Å; F905-Q964 HydrophobicContact CD1-CG 3.91Å; F905-Q964 HydrophobicContact CD2-CG 4.29Å; F905-Q964 HydrophobicContact CE1-CB 3.87Å; F905-Q964 HydrophobicContact CE1-CG 4.41Å; F905-Q964 HydrophobicContact CG-CB 4.09Å; F905-Q964 HydrophobicContact CG-CG 3.83Å; F905-V968 HydrophobicContact CD1-CG2 4.35Å; F905-V968 HydrophobicContact CE1-CG2 4.38Å
906E92.5Very high94.4Very high32 Ų3224 Ų2415%0.1513%0.131CC..THydrogen-bonded Turntrans-85.63178.1-65.8168.4-172.500113R870 H871 Q902 K903 A904 D908R870-E906 HydrophobicContact CB-CG 4.44Å; R870-E906 WeakPolarHBondContact CB-OE2 3.44Å; R870-E906 WeakPolarHBondContact CG-OE2 3.14Å; R870-E906 PolarHBondContact N-OE1 3.43Å; R870-E906 PolarHBondContact N-OE2 3.23Å; H871-E906 VanDerWaalsContact CB-OE1 3.28Å; H871-E906 WeakPolarHBondContact CB-OE1 3.35Å; H871-E906 PolarHBondContact N-OE1 3.33Å; Q902-E906 PolarHBondContact NE2-OE1 2.81Å; Q902-E906 WeakPolarHBondContact O-CG 3.28Å; Q902-E906 PolarHBondContact O-N 3.45Å; K903-E906 WeakPolarHBondContact O-CB 3.43Å; K903-E906 PolarHBondContact O-N 3.26Å; A904-E906 PolarHBondContact O-N 2.96Å; E906-D908 HydrophobicContact CB-CB 4.3Å; E906-D908 PolarHBondContact O-N 3.42Å
907N92.5Very high94.4Very high82 Ų8225.1 Ų25.144%0.43914%0.137SC..THydrogen-bonded Turntrans49.236.7-173-164.328.4000112.4K903 A904 F905 Y909 F967K903-N907 PolarHBondContact O-N 2.88Å; A904-N907 PolarHBondContact O-N 3.19Å; F905-N907 VanDerWaalsContact C-N 3.27Å; N907-Y909 WeakPolarHBondContact OD1-CE1 3.29Å; N907-F967 HydrophobicContact CB-CD1 4.13Å; N907-F967 HydrophobicContact CB-CD2 3.88Å; N907-F967 HydrophobicContact CB-CE1 4.31Å; N907-F967 HydrophobicContact CB-CE2 4.06Å; N907-F967 HydrophobicContact CB-CG 3.93Å; N907-F967 HydrophobicContact CB-CZ 4.27Å
908D91.1Very high94.3Very high28 Ų2825.8 Ų25.815%0.1514%0.143CC..  trans-127.277-174.2-176.8-7.5000109R870 K903 E906R870-D908 IonicContact CZ-OD2 3.5Å; R870-D908 IonicContact NE-OD2 3.14Å; R870-D908 PolarHBondContact NE-OD2 2.9Å; R870-D908 IonicContact NH2-OD2 3.28Å; R870-D908 PolarHBondContact NH2-OD2 3.35Å; K903-D908 WeakPolarHBondContact CE-O 3.48Å; K903-D908 PolarHBondContact NZ-O 2.9Å; K903-D908 IonicContact NZ-OD1 3.6Å; K903-D908 PolarHBondContact NZ-OD1 3.47Å; K903-D908 IonicContact NZ-OD2 2.74Å; K903-D908 PolarHBondContact NZ-OD2 3.01Å; K903-D908 PolarHBondContact O-N 2.69Å; K903-D908 VanDerWaalsContact O-N 3.12Å; E906-D908 HydrophobicContact CB-CB 4.3Å; E906-D908 PolarHBondContact O-N 3.42Å
909Y92.4Very high94.3Very high48 Ų4825.3 Ų25.319%0.18814%0.141CC..  trans-125.46.8-175.551.6-104.3000113.8N907 E911 I912 S913 F971N907-Y909 WeakPolarHBondContact OD1-CE1 3.29Å; Y909-E911 PolarHBondContact O-N 3.48Å; Y909-I912 CarbonylContact O-C 3.57Å; Y909-I912 WeakPolarHBondContact O-CA 3.31Å; Y909-I912 WeakPolarHBondContact O-CB 3.23Å; Y909-I912 PolarHBondContact O-N 3.35Å; Y909-S913 PolarHBondContact O-N 3.08Å; Y909-S913 PolarHBondContact O-OG 3.03Å; Y909-F971 HydrophobicContact CD1-CB 3.96Å; Y909-F971 HydrophobicContact CD1-CD2 4.45Å; Y909-F971 HydrophobicContact CD1-CG 4.5Å; Y909-F971 HydrophobicContact CD2-CB 4.08Å; Y909-F971 AromaticContact CD2-CD2 3.49Å; Y909-F971 HydrophobicContact CD2-CD2 3.49Å; Y909-F971 VanDerWaalsContact CD2-CD2 3.49Å; Y909-F971 HydrophobicContact CD2-CE2 4.4Å; Y909-F971 HydrophobicContact CD2-CG 4.21Å; Y909-F971 HydrophobicContact CE1-CB 4Å; Y909-F971 HydrophobicContact CE2-CB 4.13Å; Y909-F971 HydrophobicContact CE2-CD2 4.19Å; Y909-F971 HydrophobicContact CG-CB 3.98Å; Y909-F971 AromaticContact CG-CD2 3.64Å; Y909-F971 HydrophobicContact CG-CD2 3.64Å; Y909-F971 HydrophobicContact CG-CG 4.1Å
910A91.5Very high94.2Very high64 Ų6425.3 Ų25.353%0.52914%0.141SC..Hα-helixtrans-55.6-49.7-179.300000112.6I912 S913 D914A910-I912 VanDerWaalsContact C-N 3.27Å; A910-I912 PolarHBondContact O-N 2.74Å; A910-S913 WeakPolarHBondContact O-CB 3.44Å; A910-S913 PolarHBondContact O-N 3.12Å; A910-D914 PolarHBondContact O-N 3.25Å
911E91.5Very high94Very high68 Ų6833 Ų3332%0.31817%0.169SC..Hα-helixtrans-66.8-28.9177.1-63.3176.1-170.500112.8Y864 K868 Y909 E915Y864-E911 WeakPolarHBondContact CE1-OE2 3.46Å; Y864-E911 PolarHBondContact OH-OE2 3.47Å; K868-E911 VanDerWaalsContact CD-OE2 3.31Å; K868-E911 WeakPolarHBondContact CD-OE2 3.21Å; K868-E911 IonicContact NZ-OE1 3.67Å; K868-E911 PolarHBondContact NZ-OE1 3.14Å; K868-E911 IonicContact NZ-OE2 2.59Å; K868-E911 PolarHBondContact NZ-OE2 2.96Å; Y909-E911 PolarHBondContact O-N 3.48Å; E911-E915 WeakPolarHBondContact O-CB 3.21Å; E911-E915 PolarHBondContact O-N 2.61Å; E911-E915 VanDerWaalsContact O-N 3.11Å
912I94.9Very high93.6Very high1 Ų134.7 Ų34.71%0.00518%0.181CC..Hα-helixtrans-70.7-44.2175.2-61.4171.5000109W861 L865 I900 K903 Y909 A910 E915 V916 F971W861-I912 HydrophobicContact CZ2-CG2 4.31Å; L865-I912 HydrophobicContact CD2-CD1 4.24Å; L865-I912 HydrophobicContact CD2-CG1 3.73Å; I900-I912 HydrophobicContact CD1-CG2 4.28Å; I900-I912 HydrophobicContact CG1-CD1 4.3Å; I900-I912 HydrophobicContact CG1-CG2 4.44Å; I900-I912 HydrophobicContact CG2-CD1 4.31Å; I900-I912 HydrophobicContact CG2-CG2 4.24Å; K903-I912 HydrophobicContact CB-CD1 3.52Å; K903-I912 HydrophobicContact CG-CD1 3.99Å; Y909-I912 CarbonylContact O-C 3.57Å; Y909-I912 WeakPolarHBondContact O-CA 3.31Å; Y909-I912 WeakPolarHBondContact O-CB 3.23Å; Y909-I912 PolarHBondContact O-N 3.35Å; A910-I912 VanDerWaalsContact C-N 3.27Å; A910-I912 PolarHBondContact O-N 2.74Å; I912-E915 PolarHBondContact O-N 2.84Å; I912-V916 HydrophobicContact CG2-CG2 4.23Å; I912-V916 WeakPolarHBondContact O-CB 3.48Å; I912-V916 WeakPolarHBondContact O-CG2 3.25Å; I912-V916 PolarHBondContact O-N 3.05Å; I912-F971 HydrophobicContact CG2-CE2 4.08Å; I912-F971 HydrophobicContact CG2-CZ 3.86Å
913S95.1Very high92.7Very high15 Ų1541.8 Ų41.811%0.10521%0.214CC..Hα-helixtrans-59.6-45.8174.8-630000111Y909 A910 E915 V916 L917 F971Y909-S913 PolarHBondContact O-N 3.08Å; Y909-S913 PolarHBondContact O-OG 3.03Å; A910-S913 WeakPolarHBondContact O-CB 3.44Å; A910-S913 PolarHBondContact O-N 3.12Å; S913-E915 VanDerWaalsContact C-N 3.33Å; S913-E915 PolarHBondContact O-N 3.01Å; S913-V916 PolarHBondContact O-N 2.7Å; S913-L917 VanDerWaalsContact O-CB 3.28Å; S913-L917 WeakPolarHBondContact O-CB 3.38Å; S913-L917 WeakPolarHBondContact O-CG 3.26Å; S913-L917 PolarHBondContact O-N 3Å; S913-F971 WeakPolarHBondContact OG-CE2 3.43Å
914D94.5Very high91.4Very high97 Ų9743.3 Ų43.352%0.51923%0.225SC..Hα-helixtrans-60.1-42.3177.3-71.5-23.8000112.1A910 A918A910-D914 PolarHBondContact O-N 3.25Å; D914-A918 WeakPolarHBondContact O-CB 3.44Å; D914-A918 PolarHBondContact O-N 2.69Å
915E96Very high89.9Confident4 Ų451.2 Ų51.22%0.01926%0.26CS..Hα-helixtrans-67.9-45.2177.4-164.378.1-163.800112.2P844 I845 F846 W857 W861 E911 I912 S913 L917 A918 V919P844-E915 WeakPolarHBondContact CA-OE2 3.49Å; P844-E915 WeakPolarHBondContact CB-OE2 3.18Å; I845-E915 WeakPolarHBondContact CA-OE1 3.37Å; I845-E915 WeakPolarHBondContact CB-OE1 3.5Å; I845-E915 PolarHBondContact N-OE1 2.85Å; I845-E915 PolarHBondContact N-OE2 3.34Å; F846-E915 WeakPolarHBondContact CB-OE1 3.37Å; F846-E915 PolarHBondContact N-OE1 3.43Å; W857-E915 HydrophobicContact CZ2-CG 4.3Å; W857-E915 PolarHBondContact NE1-OE1 3.45Å; W861-E915 HydrophobicContact CD2-CG 4.02Å; W861-E915 HydrophobicContact CG-CG 4.33Å; W861-E915 HydrophobicContact CH2-CG 4.46Å; W861-E915 HydrophobicContact CZ2-CB 3.92Å; W861-E915 HydrophobicContact CZ2-CG 3.8Å; E911-E915 WeakPolarHBondContact O-CB 3.21Å; E911-E915 PolarHBondContact O-N 2.61Å; E911-E915 VanDerWaalsContact O-N 3.11Å; I912-E915 PolarHBondContact O-N 2.84Å; S913-E915 VanDerWaalsContact C-N 3.33Å; S913-E915 PolarHBondContact O-N 3.01Å; E915-L917 VanDerWaalsContact C-N 3.32Å; E915-L917 PolarHBondContact O-N 3.26Å; E915-A918 WeakPolarHBondContact O-CB 3.13Å; E915-A918 PolarHBondContact O-N 2.9Å; E915-A918 VanDerWaalsContact O-N 3.13Å; E915-V919 PolarHBondContact O-N 2.8Å; E915-V919 VanDerWaalsContact O-N 3.08Å
916V96.3Very high88.4Confident4 Ų455 Ų552%0.02430%0.295CS..Hα-helixtrans-59-46.3175.4168.50000109.8I912 S913 A918 V919 L920 I941 L975I912-V916 HydrophobicContact CG2-CG2 4.23Å; I912-V916 WeakPolarHBondContact O-CB 3.48Å; I912-V916 WeakPolarHBondContact O-CG2 3.25Å; I912-V916 PolarHBondContact O-N 3.05Å; S913-V916 PolarHBondContact O-N 2.7Å; V916-A918 VanDerWaalsContact C-N 3.29Å; V916-A918 PolarHBondContact O-N 3.04Å; V916-V919 PolarHBondContact O-N 3.15Å; V916-L920 HydrophobicContact CG1-CD1 3.73Å; V916-L920 HydrophobicContact CG1-CG 4.17Å; V916-L920 WeakPolarHBondContact O-CB 3.33Å; V916-L920 VanDerWaalsContact O-CG 3.25Å; V916-L920 WeakPolarHBondContact O-CG 3.47Å; V916-L920 PolarHBondContact O-N 3.45Å; V916-I941 HydrophobicContact CG1-CG2 3.91Å; V916-I941 HydrophobicContact CG2-CD1 3.99Å; V916-I941 HydrophobicContact CG2-CG2 4.48Å; V916-L975 HydrophobicContact CB-CD2 4.43Å; V916-L975 HydrophobicContact CG1-CD1 4.25Å; V916-L975 HydrophobicContact CG1-CD2 3.81Å
917L96.2Very high87.6Confident25 Ų2558.3 Ų58.313%0.13131%0.313CS..Hα-helixtrans-62.9-34.7176.3-72.7173.5000112.1S913 E915 L920 R921 P976S913-L917 VanDerWaalsContact O-CB 3.28Å; S913-L917 WeakPolarHBondContact O-CB 3.38Å; S913-L917 WeakPolarHBondContact O-CG 3.26Å; S913-L917 PolarHBondContact O-N 3Å; E915-L917 VanDerWaalsContact C-N 3.32Å; E915-L917 PolarHBondContact O-N 3.26Å; L917-L920 PolarHBondContact O-N 3.37Å; L917-R921 WeakPolarHBondContact O-CB 3.4Å; L917-R921 WeakPolarHBondContact O-CG 3.44Å; L917-R921 PolarHBondContact O-N 3.41Å; L917-P976 HydrophobicContact CD2-CG 3.62Å
918A94.3Very high86.9Confident23 Ų2359.9 Ų59.919%0.1933%0.326CS..Hα-helixtrans-62.6-43.7174.500000112P844 F846 D914 E915 V916 C922P844-A918 HydrophobicContact CB-CB 3.52Å; P844-A918 HydrophobicContact CG-CB 3.65Å; F846-A918 HydrophobicContact CB-CB 4.33Å; D914-A918 WeakPolarHBondContact O-CB 3.44Å; D914-A918 PolarHBondContact O-N 2.69Å; E915-A918 WeakPolarHBondContact O-CB 3.13Å; E915-A918 PolarHBondContact O-N 2.9Å; E915-A918 VanDerWaalsContact O-N 3.13Å; V916-A918 VanDerWaalsContact C-N 3.29Å; V916-A918 PolarHBondContact O-N 3.04Å; A918-C922 PolarHBondContact O-N 3.44Å
919V94.6Very high86.2Confident0 Ų061.7 Ų61.70%035%0.345CS..Hα-helixtrans-63.6-47.3175176.80000110.6F846 W857 E915 V916 C922 A937 V938 I941F846-V919 HydrophobicContact CB-CG2 4.18Å; F846-V919 HydrophobicContact CD1-CG2 4.25Å; F846-V919 HydrophobicContact CD2-CG2 3.64Å; F846-V919 HydrophobicContact CE2-CG2 4.04Å; F846-V919 HydrophobicContact CG-CG2 3.74Å; W857-V919 HydrophobicContact CH2-CG2 3.96Å; W857-V919 HydrophobicContact CZ2-CG2 3.66Å; E915-V919 PolarHBondContact O-N 2.8Å; E915-V919 VanDerWaalsContact O-N 3.08Å; V916-V919 PolarHBondContact O-N 3.15Å; V919-C922 WeakPolarHBondContact O-CB 3.41Å; V919-C922 PolarHBondContact O-N 3.26Å; V919-A937 HydrophobicContact CG1-CB 3.86Å; V919-V938 HydrophobicContact CG1-CG2 3.89Å; V919-I941 HydrophobicContact CB-CG1 4.22Å; V919-I941 HydrophobicContact CG1-CG1 3.96Å; V919-I941 HydrophobicContact CG2-CG1 4.36Å
920L94.2Very high85.7Confident0 Ų062.8 Ų62.80%035%0.354CS..Hα-helixtrans-69.3-39.2-175.9-66.1177.6000112.4V916 L917 C922 L979 L980 R983V916-L920 HydrophobicContact CG1-CD1 3.73Å; V916-L920 HydrophobicContact CG1-CG 4.17Å; V916-L920 WeakPolarHBondContact O-CB 3.33Å; V916-L920 VanDerWaalsContact O-CG 3.25Å; V916-L920 WeakPolarHBondContact O-CG 3.47Å; V916-L920 PolarHBondContact O-N 3.45Å; L917-L920 PolarHBondContact O-N 3.37Å; L920-C922 VanDerWaalsContact C-N 3.32Å; L920-C922 PolarHBondContact O-N 3.49Å; L920-L979 HydrophobicContact CB-CD2 3.42Å; L920-L979 VanDerWaalsContact CB-CD2 3.42Å; L920-L979 HydrophobicContact CB-CG 3.82Å; L920-L979 HydrophobicContact CD1-CD2 4.35Å; L920-L980 HydrophobicContact CD1-CD2 3.7Å; L920-L980 HydrophobicContact CD1-CG 4.28Å; L920-L980 HydrophobicContact CD2-CD2 3.97Å; L920-R983 HydrophobicContact CB-CG 4.27Å; L920-R983 HydrophobicContact CD2-CB 4.01Å; L920-R983 HydrophobicContact CD2-CG 3.69Å; L920-R983 WeakPolarHBondContact O-CD 3.48Å; L920-R983 PolarHBondContact O-NE 2.85Å
921R93.2Very high85.4Confident163 Ų16363.2 Ų63.262%0.61535%0.345SS*.Hα-helixtrans-80.5-10.3-179.9-68.7175.3176.6162.70.3113.8L917 Q923 L979L917-R921 WeakPolarHBondContact O-CB 3.4Å; L917-R921 WeakPolarHBondContact O-CG 3.44Å; L917-R921 PolarHBondContact O-N 3.41Å; R921-Q923 PolarHBondContact O-N 2.96Å; R921-L979 HydrophobicContact CG-CD2 3.74Å
922C86.3Confident85.1Confident40 Ų4064.2 Ų64.227%0.2736%0.356SS..  trans-55.9131.4177.8-173.20000110F846 A918 V919 L920 Q934 R983F846-C922 HydrophobicContact CE1-CB 3.76Å; F846-C922 HydrophobicContact CZ-CB 4.45Å; A918-C922 PolarHBondContact O-N 3.44Å; V919-C922 WeakPolarHBondContact O-CB 3.41Å; V919-C922 PolarHBondContact O-N 3.26Å; L920-C922 VanDerWaalsContact C-N 3.32Å; L920-C922 PolarHBondContact O-N 3.49Å; C922-Q934 PolarHBondContact O-NE2 3Å; C922-R983 PolarHBondContact O-NH1 3.06Å
923Q77.7Confident84.8Confident159 Ų15965.7 Ų65.774%0.74336%0.362SS*.  trans-114.1108.5169.9-67.6-1783.300106.4R921 K925R921-Q923 PolarHBondContact O-N 2.96Å; Q923-K925 PolarHBondContact O-N 3.16Å
924S68.4Low84.5Confident33 Ų3365.2 Ų65.223%0.23136%0.359CS..  trans-57.3131.1175.4-169.60000109.4D930 E931S924-D930 VanDerWaalsContact OG-CB 3.26Å; S924-D930 WeakPolarHBondContact OG-CB 3.39Å; S924-E931 VanDerWaalsContact OG-CG 3.31Å; S924-E931 WeakPolarHBondContact OG-CG 3.38Å; S924-E931 PolarHBondContact OG-N 3.17Å; S924-E931 VanDerWaalsContact OG-N 3.16Å
925K61.9Low84.3Confident168 Ų16864 Ų6473%0.7335%0.347SS*.  trans-71159.1161.4-64.6178.7-178.3177.10107.1Q923 N927Q923-K925 PolarHBondContact O-N 3.16Å; K925-N927 PolarHBondContact O-N 2.75Å
926A61.9Low84.1Confident101 Ų10165 Ų6584%0.83536%0.356SS*.SBendtrans-58.617.1-167.400000117.7
927N74.3Confident83.9Confident101 Ų10164.9 Ų64.954%0.5436%0.355SS..  trans-85.8131.2173-67.1-18.3000111.1K925 A929 D930 E931K925-N927 PolarHBondContact O-N 2.75Å; N927-A929 VanDerWaalsContact C-N 3.32Å; N927-A929 PolarHBondContact O-N 2.9Å; N927-D930 HydrophobicContact CB-CB 4.42Å; N927-D930 PolarHBondContact ND2-OD2 3.3Å; N927-D930 PolarHBondContact O-N 3.09Å; N927-E931 PolarHBondContact O-N 3.38Å
928T77.9Confident83.9Confident115 Ų11563.7 Ų63.771%0.70635%0.348SS*.Hα-helixtrans-62-32.6179.248.70000114.1V932T928-V932 VanDerWaalsContact O-CG2 3.3Å; T928-V932 WeakPolarHBondContact O-CG2 3.42Å; T928-V932 PolarHBondContact O-N 3.3Å; T928-V932 VanDerWaalsContact O-N 3.14Å
929A77.6Confident83.8Confident67 Ų6767.5 Ų67.555%0.55436%0.362SS*.Hα-helixtrans-69-40.2179.800000112.7N927 E931 V932 F933N927-A929 VanDerWaalsContact C-N 3.32Å; N927-A929 PolarHBondContact O-N 2.9Å; A929-E931 VanDerWaalsContact C-N 3.34Å; A929-V932 PolarHBondContact O-N 3.33Å; A929-F933 PolarHBondContact O-N 3.3Å
930D82.4Confident83.8Confident71 Ų7168.1 Ų68.138%0.3837%0.366SS..Hα-helixtrans-66.4-39.8178.8-66.7-26000110.3S924 N927 V932 F933 Q934S924-D930 VanDerWaalsContact OG-CB 3.26Å; S924-D930 WeakPolarHBondContact OG-CB 3.39Å; N927-D930 HydrophobicContact CB-CB 4.42Å; N927-D930 PolarHBondContact ND2-OD2 3.3Å; N927-D930 PolarHBondContact O-N 3.09Å; D930-V932 PolarHBondContact O-N 2.97Å; D930-F933 PolarHBondContact O-N 3.5Å; D930-Q934 WeakPolarHBondContact O-CB 3.25Å; D930-Q934 PolarHBondContact O-N 3.23Å
931E83.5Confident83.9Confident73 Ų7368.2 Ų68.234%0.34137%0.366SS..Hα-helixtrans-63.6-40.8174.5-69.3-174.1176.400112.7S924 N927 A929 R935S924-E931 VanDerWaalsContact OG-CG 3.31Å; S924-E931 WeakPolarHBondContact OG-CG 3.38Å; S924-E931 PolarHBondContact OG-N 3.17Å; S924-E931 VanDerWaalsContact OG-N 3.16Å; N927-E931 PolarHBondContact O-N 3.38Å; A929-E931 VanDerWaalsContact C-N 3.34Å; E931-R935 VanDerWaalsContact O-CB 3.27Å; E931-R935 WeakPolarHBondContact O-CB 3.48Å; E931-R935 PolarHBondContact O-N 2.5Å
932V85.5Confident84.1Confident89 Ų8960.5 Ų60.554%0.53934%0.337SS..Hα-helixtrans-65.1-44.4177.3170.40000110.6T928 A929 D930 A936T928-V932 VanDerWaalsContact O-CG2 3.3Å; T928-V932 WeakPolarHBondContact O-CG2 3.42Å; T928-V932 PolarHBondContact O-N 3.3Å; T928-V932 VanDerWaalsContact O-N 3.14Å; A929-V932 PolarHBondContact O-N 3.33Å; D930-V932 PolarHBondContact O-N 2.97Å; V932-A936 WeakPolarHBondContact O-CB 2.99Å; V932-A936 PolarHBondContact O-N 3.38Å
933F89.3Confident84.4Confident32 Ų3260.8 Ų60.814%0.1434%0.34CS..Hα-helixtrans-61.5-50.1175.4170-145.4000111.2F846 S853 L854 W857 A929 D930 R935 A936 A937F846-F933 HydrophobicContact CD2-CE2 4.38Å; F846-F933 AromaticContact CD2-CZ 3.81Å; F846-F933 HydrophobicContact CD2-CZ 3.81Å; F846-F933 AromaticContact CE2-CE1 3.83Å; F846-F933 HydrophobicContact CE2-CE1 3.83Å; F846-F933 AromaticContact CE2-CE2 3.68Å; F846-F933 HydrophobicContact CE2-CE2 3.68Å; F846-F933 AromaticContact CE2-CZ 3.27Å; F846-F933 HydrophobicContact CE2-CZ 3.27Å; F846-F933 HydrophobicContact CZ-CE1 4.06Å; F846-F933 AromaticContact CZ-CZ 3.97Å; F846-F933 HydrophobicContact CZ-CZ 3.97Å; S853-F933 VanDerWaalsContact C-CZ 3.49Å; L854-F933 HydrophobicContact CB-CD2 3.87Å; L854-F933 HydrophobicContact CB-CE2 4.01Å; W857-F933 HydrophobicContact CB-CZ 4.47Å; A929-F933 PolarHBondContact O-N 3.3Å; D930-F933 PolarHBondContact O-N 3.5Å; F933-R935 PolarHBondContact O-N 2.88Å; F933-A936 PolarHBondContact O-N 2.99Å; F933-A937 HydrophobicContact CE2-CB 4.22Å; F933-A937 PolarHBondContact O-N 2.9Å
934Q89.5Confident85.3Confident5 Ų553.5 Ų53.52%0.02331%0.306CS..Hα-helixtrans-56.3-49.6178.3-178.4179.510.900111.4C922 D930 A936 A937 V938 R983 L986C922-Q934 PolarHBondContact O-NE2 3Å; D930-Q934 WeakPolarHBondContact O-CB 3.25Å; D930-Q934 PolarHBondContact O-N 3.23Å; Q934-A936 VanDerWaalsContact C-N 3.29Å; Q934-A936 PolarHBondContact O-N 3.22Å; Q934-A937 PolarHBondContact O-N 3.26Å; Q934-V938 HydrophobicContact CG-CG2 4.38Å; Q934-V938 WeakPolarHBondContact O-CG2 3.39Å; Q934-V938 PolarHBondContact O-N 3.48Å; Q934-R983 VanDerWaalsContact NE2-NH1 3.12Å; Q934-L986 HydrophobicContact CG-CD2 4.09Å
935R90.2Very high86.6Confident72 Ų7252.1 Ų52.127%0.27230%0.296SS..Hα-helixtrans-59.1-42.5179.6-169.8-179.9-63.9115.55.2111.3E931 F933 V938 Q939 L986 C987E931-R935 VanDerWaalsContact O-CB 3.27Å; E931-R935 WeakPolarHBondContact O-CB 3.48Å; E931-R935 PolarHBondContact O-N 2.5Å; F933-R935 PolarHBondContact O-N 2.88Å; R935-V938 PolarHBondContact O-N 2.9Å; R935-Q939 VanDerWaalsContact O-CG 3.31Å; R935-Q939 WeakPolarHBondContact O-CG 3.31Å; R935-Q939 PolarHBondContact O-N 3.48Å; R935-L986 PolarHBondContact NE-O 3.31Å; R935-L986 VanDerWaalsContact NE-O 3.13Å; R935-C987 HydrophobicContact CG-CB 4.48Å
936A90.2Very high88.1Confident25 Ų2546.7 Ų46.721%0.20728%0.275CS..Hα-helixtrans-67.7-38.8178.700000112.4L854 V932 F933 Q934 Q939 V940L854-A936 HydrophobicContact CD1-CB 4.47Å; L854-A936 HydrophobicContact CD2-CB 3.94Å; V932-A936 WeakPolarHBondContact O-CB 2.99Å; V932-A936 PolarHBondContact O-N 3.38Å; F933-A936 PolarHBondContact O-N 2.99Å; Q934-A936 VanDerWaalsContact C-N 3.29Å; Q934-A936 PolarHBondContact O-N 3.22Å; A936-Q939 PolarHBondContact O-N 2.76Å; A936-V940 WeakPolarHBondContact O-CG2 3.34Å; A936-V940 PolarHBondContact O-N 3.47Å; A936-V940 VanDerWaalsContact O-N 3.15Å
937A93.7Very high89.7Confident0 Ų043.1 Ų43.10%024%0.241CC..Hα-helixtrans-64.9-44175.100000111.6F846 L854 W857 V919 F933 Q934 Q939 V940 I941F846-A937 HydrophobicContact CD2-CB 4.44Å; F846-A937 HydrophobicContact CE2-CB 3.64Å; F846-A937 HydrophobicContact CZ-CB 4.37Å; L854-A937 HydrophobicContact CD1-CB 4.36Å; W857-A937 HydrophobicContact CE3-CB 4.41Å; W857-A937 HydrophobicContact CH2-CB 4.48Å; W857-A937 HydrophobicContact CZ3-CB 4.01Å; V919-A937 HydrophobicContact CG1-CB 3.86Å; F933-A937 HydrophobicContact CE2-CB 4.22Å; F933-A937 PolarHBondContact O-N 2.9Å; Q934-A937 PolarHBondContact O-N 3.26Å; A937-Q939 VanDerWaalsContact C-N 3.32Å; A937-Q939 PolarHBondContact O-N 2.92Å; A937-V940 WeakPolarHBondContact O-CB 3.33Å; A937-V940 PolarHBondContact O-N 3.23Å; A937-V940 VanDerWaalsContact O-N 3.14Å; A937-I941 PolarHBondContact O-N 2.9Å
938V94.7Very high90.7Very high0 Ų038.3 Ų38.30%022%0.215CC..Hα-helixtrans-59.4-41.7174.5170.40000111.3V919 Q934 R935 V940 I941 F942 R983 C987V919-V938 HydrophobicContact CG1-CG2 3.89Å; Q934-V938 HydrophobicContact CG-CG2 4.38Å; Q934-V938 WeakPolarHBondContact O-CG2 3.39Å; Q934-V938 PolarHBondContact O-N 3.48Å; R935-V938 PolarHBondContact O-N 2.9Å; V938-V940 VanDerWaalsContact C-N 3.31Å; V938-V940 PolarHBondContact O-N 3.38Å; V938-I941 WeakPolarHBondContact O-CB 3.28Å; V938-I941 PolarHBondContact O-N 3.48Å; V938-I941 VanDerWaalsContact O-N 3.16Å; V938-F942 HydrophobicContact CG1-CD2 3.64Å; V938-F942 HydrophobicContact CG1-CE2 3.27Å; V938-F942 HydrophobicContact CG1-CZ 3.98Å; V938-F942 WeakPolarHBondContact O-CD2 3.17Å; V938-F942 PolarHBondContact O-N 2.84Å; V938-R983 HydrophobicContact CG1-CB 3.88Å; V938-R983 HydrophobicContact CG2-CB 4.31Å; V938-C987 WeakPolarHBondContact CG1-SG 3.18Å
939Q93.3Very high91.5Very high104 Ų10436.5 Ų36.549%0.48620%0.199SC..Hα-helixtrans-61.8-36.7175.8-75.5174.9-1500112.9R935 A936 A937 F942 S943R935-Q939 VanDerWaalsContact O-CG 3.31Å; R935-Q939 WeakPolarHBondContact O-CG 3.31Å; R935-Q939 PolarHBondContact O-N 3.48Å; A936-Q939 PolarHBondContact O-N 2.76Å; A937-Q939 VanDerWaalsContact C-N 3.32Å; A937-Q939 PolarHBondContact O-N 2.92Å; Q939-F942 PolarHBondContact O-N 2.95Å; Q939-S943 PolarHBondContact O-N 3.25Å
940V94.6Very high92.2Very high12 Ų1239 Ų397%0.07320%0.197CC..Hα-helixtrans-67.2-40.9173.4173.70000111.2L854 W857 L858 L896 A936 A937 V938 F942 S943 V944L854-V940 HydrophobicContact CD1-CG2 4.25Å; W857-V940 HydrophobicContact CZ3-CG1 4.48Å; L858-V940 HydrophobicContact CD2-CG1 4.28Å; L896-V940 HydrophobicContact CD2-CG1 3.68Å; A936-V940 WeakPolarHBondContact O-CG2 3.34Å; A936-V940 PolarHBondContact O-N 3.47Å; A936-V940 VanDerWaalsContact O-N 3.15Å; A937-V940 WeakPolarHBondContact O-CB 3.33Å; A937-V940 PolarHBondContact O-N 3.23Å; A937-V940 VanDerWaalsContact O-N 3.14Å; V938-V940 VanDerWaalsContact C-N 3.31Å; V938-V940 PolarHBondContact O-N 3.38Å; V940-F942 VanDerWaalsContact C-N 3.34Å; V940-F942 PolarHBondContact O-N 3.16Å; V940-S943 PolarHBondContact O-N 2.98Å; V940-S943 PolarHBondContact O-OG 2.94Å; V940-V944 WeakPolarHBondContact O-CG2 3.43Å; V940-V944 PolarHBondContact O-N 3.4Å; V940-V944 VanDerWaalsContact O-N 3.14Å
941I96.2Very high92.8Very high2 Ų235.7 Ų35.71%0.0118%0.179CC..Hα-helixtrans-60.3-47.8174-64.5-46.3000110.1W857 W861 V916 V919 A937 V938 S943 V944 L945W857-I941 HydrophobicContact CH2-CD1 3.92Å; W857-I941 HydrophobicContact CZ2-CD1 4.43Å; W861-I941 HydrophobicContact CH2-CD1 3.85Å; W861-I941 HydrophobicContact CZ3-CD1 4.01Å; V916-I941 HydrophobicContact CG1-CG2 3.91Å; V916-I941 HydrophobicContact CG2-CD1 3.99Å; V916-I941 HydrophobicContact CG2-CG2 4.48Å; V919-I941 HydrophobicContact CB-CG1 4.22Å; V919-I941 HydrophobicContact CG1-CG1 3.96Å; V919-I941 HydrophobicContact CG2-CG1 4.36Å; A937-I941 PolarHBondContact O-N 2.9Å; V938-I941 WeakPolarHBondContact O-CB 3.28Å; V938-I941 PolarHBondContact O-N 3.48Å; V938-I941 VanDerWaalsContact O-N 3.16Å; I941-S943 VanDerWaalsContact C-N 3.33Å; I941-S943 PolarHBondContact O-N 3.34Å; I941-V944 WeakPolarHBondContact O-CB 3.5Å; I941-V944 PolarHBondContact O-N 2.91Å; I941-V944 VanDerWaalsContact O-N 3.13Å; I941-L945 HydrophobicContact CG2-CD1 3.97Å; I941-L945 HydrophobicContact CG2-CG 4.18Å; I941-L945 WeakPolarHBondContact O-CG 3.09Å; I941-L945 PolarHBondContact O-N 3.3Å
942F96.2Very high93.2Very high1 Ų132.2 Ų32.20%0.00416%0.163CC..Hα-helixtrans-62.6-36.5178.6-75-40.4000113.5V938 Q939 V940 V944 L945 D946 L980 R983 A984 Y996V938-F942 HydrophobicContact CG1-CD2 3.64Å; V938-F942 HydrophobicContact CG1-CE2 3.27Å; V938-F942 HydrophobicContact CG1-CZ 3.98Å; V938-F942 WeakPolarHBondContact O-CD2 3.17Å; V938-F942 PolarHBondContact O-N 2.84Å; Q939-F942 PolarHBondContact O-N 2.95Å; V940-F942 VanDerWaalsContact C-N 3.34Å; V940-F942 PolarHBondContact O-N 3.16Å; F942-V944 VanDerWaalsContact C-N 3.29Å; F942-V944 PolarHBondContact O-N 3.44Å; F942-L945 HydrophobicContact CD1-CD1 4.25Å; F942-L945 PolarHBondContact O-N 2.83Å; F942-D946 WeakPolarHBondContact O-CB 3.03Å; F942-D946 PolarHBondContact O-N 3.34Å; F942-L980 HydrophobicContact CE1-CD2 3.85Å; F942-L980 WeakPolarHBondContact CZ-O 3.42Å; F942-R983 HydrophobicContact CZ-CB 4.33Å; F942-A984 HydrophobicContact CE2-CB 4.03Å; F942-A984 HydrophobicContact CZ-CB 3.79Å; F942-Y996 HydrophobicContact CD1-CE2 4.37Å; F942-Y996 AromaticContact CE1-CE2 3.83Å; F942-Y996 HydrophobicContact CE1-CE2 3.83Å
943S93.5Very high93.5Very high47 Ų4732.3 Ų32.333%0.32916%0.161SC..Hα-helixtrans-64.8-35.4175.3720000112.4Q939 V940 I941 F947Q939-S943 PolarHBondContact O-N 3.25Å; V940-S943 PolarHBondContact O-N 2.98Å; V940-S943 PolarHBondContact O-OG 2.94Å; I941-S943 VanDerWaalsContact C-N 3.33Å; I941-S943 PolarHBondContact O-N 3.34Å; S943-F947 WeakPolarHBondContact O-CB 3.21Å; S943-F947 PolarHBondContact O-N 2.94Å; S943-F947 VanDerWaalsContact O-N 3.14Å
944V96.2Very high93.4Very high5 Ų532.2 Ų32.23%0.0317%0.165CC..Hα-helixtrans-64.7-51171.8171.90000110.5L896 P897 I900 V940 I941 F942 D946 F947 L948L896-V944 HydrophobicContact CD2-CG2 4.02Å; L896-V944 HydrophobicContact CG-CG2 4.09Å; P897-V944 HydrophobicContact CB-CG2 4.39Å; P897-V944 HydrophobicContact CG-CG2 3.91Å; I900-V944 HydrophobicContact CB-CG1 4.18Å; I900-V944 HydrophobicContact CD1-CB 4.48Å; I900-V944 HydrophobicContact CD1-CG1 3.66Å; I900-V944 HydrophobicContact CD1-CG2 4.06Å; I900-V944 HydrophobicContact CG2-CG1 3.95Å; V940-V944 WeakPolarHBondContact O-CG2 3.43Å; V940-V944 PolarHBondContact O-N 3.4Å; V940-V944 VanDerWaalsContact O-N 3.14Å; I941-V944 WeakPolarHBondContact O-CB 3.5Å; I941-V944 PolarHBondContact O-N 2.91Å; I941-V944 VanDerWaalsContact O-N 3.13Å; F942-V944 VanDerWaalsContact C-N 3.29Å; F942-V944 PolarHBondContact O-N 3.44Å; V944-D946 PolarHBondContact O-N 3.28Å; V944-F947 WeakPolarHBondContact O-CB 3.37Å; V944-F947 PolarHBondContact O-N 3.39Å; V944-F947 VanDerWaalsContact O-N 3.15Å; V944-L948 HydrophobicContact CG1-CD1 4.03Å; V944-L948 HydrophobicContact CG1-CG 4.34Å; V944-L948 WeakPolarHBondContact O-CG 3.22Å; V944-L948 PolarHBondContact O-N 3.48Å
945L96.4Very high93.4Very high4 Ų432 Ų322%0.02117%0.165CC..Hα-helixtrans-61.7-43.3-178.3-62.6-179.1000111.8I941 F942 F947 L948 Q949 F971 L972 L975 L980I941-L945 HydrophobicContact CG2-CD1 3.97Å; I941-L945 HydrophobicContact CG2-CG 4.18Å; I941-L945 WeakPolarHBondContact O-CG 3.09Å; I941-L945 PolarHBondContact O-N 3.3Å; F942-L945 HydrophobicContact CD1-CD1 4.25Å; F942-L945 PolarHBondContact O-N 2.83Å; L945-F947 VanDerWaalsContact C-N 3.3Å; L945-F947 PolarHBondContact O-N 2.86Å; L945-L948 PolarHBondContact O-N 3.21Å; L945-Q949 WeakPolarHBondContact O-CB 3.38Å; L945-Q949 PolarHBondContact O-N 2.89Å; L945-F971 HydrophobicContact CD2-CE1 4.2Å; L945-L972 HydrophobicContact CB-CD2 4.46Å; L945-L972 HydrophobicContact CD2-CD2 3.71Å; L945-L975 HydrophobicContact CD1-CD1 4.11Å; L945-L975 HydrophobicContact CD2-CD1 3.51Å; L945-L975 HydrophobicContact CG-CD1 4.47Å; L945-L980 HydrophobicContact CD1-CD2 3.69Å
946D93.8Very high93.1Very high54 Ų5437 Ų3729%0.28918%0.184SC..Hα-helixtrans-59.2-42.3175-71.9-7.4000111.4F942 V944 K950 R992F942-D946 WeakPolarHBondContact O-CB 3.03Å; F942-D946 PolarHBondContact O-N 3.34Å; V944-D946 PolarHBondContact O-N 3.28Å; D946-K950 VanDerWaalsContact O-CB 3.24Å; D946-K950 WeakPolarHBondContact O-CB 3.42Å; D946-K950 WeakPolarHBondContact O-CD 3.26Å; D946-K950 WeakPolarHBondContact O-CG 3.49Å; D946-K950 PolarHBondContact O-N 3.22Å; D946-R992 IonicContact OD1-CZ 3.56Å; D946-R992 IonicContact OD1-NE 2.81Å; D946-R992 IonicContact OD1-NH2 3.54Å; D946-R992 PolarHBondContact OD1-NH2 3.16Å; D946-R992 IonicContact OD2-CZ 2.81Å; D946-R992 IonicContact OD2-NH2 3.94Å; D946-R992 PolarHBondContact OD2-NH2 3.47Å
947F94.5Very high92.9Very high27 Ų2742 Ų4212%0.11821%0.207CC..Hα-helixtrans-64.1-46.5178.1176-96.2000111.3P897 H898 L901 S943 V944 L945 K950 W951P897-F947 HydrophobicContact CB-CB 3.88Å; P897-F947 HydrophobicContact CB-CD1 3.47Å; P897-F947 VanDerWaalsContact CB-CD1 3.47Å; P897-F947 HydrophobicContact CB-CD2 4.42Å; P897-F947 HydrophobicContact CB-CE1 4.1Å; P897-F947 HydrophobicContact CB-CG 3.66Å; H898-F947 AromaticContact CE1-CE2 3.72Å; H898-F947 AromaticContact CE1-CZ 3.52Å; H898-F947 AromaticContact ND1-CZ 3.43Å; H898-F947 WeakPolarHBondContact ND1-CZ 3.29Å; L901-F947 HydrophobicContact CB-CE1 4.14Å; L901-F947 HydrophobicContact CD2-CE1 3.83Å; L901-F947 HydrophobicContact CD2-CZ 4.26Å; L901-F947 HydrophobicContact CG-CE1 4.49Å; S943-F947 WeakPolarHBondContact O-CB 3.21Å; S943-F947 PolarHBondContact O-N 2.94Å; S943-F947 VanDerWaalsContact O-N 3.14Å; V944-F947 WeakPolarHBondContact O-CB 3.37Å; V944-F947 PolarHBondContact O-N 3.39Å; V944-F947 VanDerWaalsContact O-N 3.15Å; L945-F947 VanDerWaalsContact C-N 3.3Å; L945-F947 PolarHBondContact O-N 2.86Å; F947-K950 PolarHBondContact O-N 3.13Å; F947-W951 WeakPolarHBondContact O-CB 3.28Å; F947-W951 PolarHBondContact O-N 3.09Å
948L95.8Very high92.6Very high0 Ų044.9 Ų44.90%022%0.218CC..Hα-helixtrans-63.7-43.6178-65.9179.2000111.9I900 L901 V944 L945 W951 A952 V968 F971 L972I900-L948 HydrophobicContact CG2-CD1 3.98Å; L901-L948 HydrophobicContact CB-CD2 3.83Å; L901-L948 HydrophobicContact CD1-CD2 3.67Å; L901-L948 HydrophobicContact CG-CD2 4.37Å; V944-L948 HydrophobicContact CG1-CD1 4.03Å; V944-L948 HydrophobicContact CG1-CG 4.34Å; V944-L948 WeakPolarHBondContact O-CG 3.22Å; V944-L948 PolarHBondContact O-N 3.48Å; L945-L948 PolarHBondContact O-N 3.21Å; L948-W951 PolarHBondContact O-N 3.39Å; L948-A952 WeakPolarHBondContact O-CB 3.48Å; L948-A952 PolarHBondContact O-N 3.32Å; L948-V968 HydrophobicContact CB-CG1 4.04Å; L948-V968 HydrophobicContact CD2-CG1 4.47Å; L948-F971 HydrophobicContact CD1-CD1 3.8Å; L948-F971 HydrophobicContact CD1-CE1 3.61Å; L948-L972 HydrophobicContact CB-CD1 4.31Å; L948-L972 HydrophobicContact CB-CD2 4.13Å; L948-L972 HydrophobicContact CD1-CD2 4.35Å
949Q94.5Very high92.1Very high77 Ų7750.3 Ų50.336%0.3625%0.253SS..Hα-helixtrans-63.6-45.7177.6-174.765.160.900111.3L945 W951 A952 N953 L972L945-Q949 WeakPolarHBondContact O-CB 3.38Å; L945-Q949 PolarHBondContact O-N 2.89Å; Q949-W951 VanDerWaalsContact C-N 3.3Å; Q949-W951 PolarHBondContact O-N 2.95Å; Q949-A952 PolarHBondContact O-N 3.18Å; Q949-N953 PolarHBondContact NE2-OD1 3.26Å; Q949-N953 WeakPolarHBondContact O-CB 3.1Å; Q949-N953 PolarHBondContact O-N 3.05Å; Q949-N953 PolarHBondContact O-ND2 2.71Å; Q949-N953 PolarHBondContact O-OD1 3.04Å; Q949-L972 HydrophobicContact CB-CD1 4.32Å
950K93Very high91.9Very high120 Ų12051.8 Ų51.852%0.52226%0.258SS..Hα-helixtrans-60-42.7175.5-76.1172.8-175.7169.30110.9L746 D946 F947 N953 A954L746-K950 HydrophobicContact CD1-CB 3.52Å; L746-K950 WeakPolarHBondContact CD1-O 3.44Å; L746-K950 HydrophobicContact CD2-CB 3.97Å; L746-K950 HydrophobicContact CD2-CD 4.26Å; L746-K950 HydrophobicContact CG-CB 4.38Å; D946-K950 VanDerWaalsContact O-CB 3.24Å; D946-K950 WeakPolarHBondContact O-CB 3.42Å; D946-K950 WeakPolarHBondContact O-CD 3.26Å; D946-K950 WeakPolarHBondContact O-CG 3.49Å; D946-K950 PolarHBondContact O-N 3.22Å; F947-K950 PolarHBondContact O-N 3.13Å; K950-N953 PolarHBondContact O-N 3.41Å; K950-A954 PolarHBondContact O-N 3.21Å
951W93.7Very high91.6Very high0 Ų051.5 Ų51.50%026%0.256CS..Hα-helixtrans-64.3-45.8177179.691.3000111.4F748 L901 F905 F947 L948 Q949 N953 A954 A955 W958 F961 Q964 R965 V968F748-W951 AromaticContact CD1-CD1 3.73Å; F748-W951 AromaticContact CD1-NE1 3.58Å; F748-W951 AromaticContact CD2-NE1 3.49Å; F748-W951 AromaticContact CE1-NE1 3.72Å; F748-W951 AromaticContact CE2-NE1 3.61Å; F748-W951 AromaticContact CG-CD1 3.73Å; F748-W951 AromaticContact CG-NE1 3.48Å; F748-W951 AromaticContact CZ-NE1 3.72Å; L901-W951 HydrophobicContact CD1-CD2 3.71Å; L901-W951 HydrophobicContact CD1-CE3 3.81Å; L901-W951 HydrophobicContact CD1-CG 4.02Å; L901-W951 HydrophobicContact CD1-CZ3 4.35Å; L901-W951 HydrophobicContact CD2-CD2 4.42Å; L901-W951 HydrophobicContact CD2-CG 4.17Å; F905-W951 HydrophobicContact CD1-CH2 4.35Å; F905-W951 HydrophobicContact CE1-CD2 4.43Å; F905-W951 AromaticContact CE1-CE2 3.88Å; F905-W951 HydrophobicContact CE1-CE3 4.39Å; F905-W951 AromaticContact CE1-CH2 3.33Å; F905-W951 HydrophobicContact CE1-CH2 3.33Å; F905-W951 AromaticContact CE1-CZ2 3.33Å; F905-W951 HydrophobicContact CE1-CZ2 3.33Å; F905-W951 AromaticContact CE1-CZ3 3.87Å; F905-W951 HydrophobicContact CE1-CZ3 3.87Å; F905-W951 AromaticContact CZ-CE2 3.74Å; F905-W951 AromaticContact CZ-CH2 3.81Å; F905-W951 HydrophobicContact CZ-CH2 3.81Å; F905-W951 AromaticContact CZ-CZ2 3.29Å; F905-W951 HydrophobicContact CZ-CZ2 3.29Å; F947-W951 WeakPolarHBondContact O-CB 3.28Å; F947-W951 PolarHBondContact O-N 3.09Å; L948-W951 PolarHBondContact O-N 3.39Å; Q949-W951 VanDerWaalsContact C-N 3.3Å; Q949-W951 PolarHBondContact O-N 2.95Å; W951-N953 VanDerWaalsContact C-N 3.28Å; W951-N953 PolarHBondContact O-N 3.15Å; W951-A954 PolarHBondContact O-N 3.5Å; W951-A955 HydrophobicContact CD2-CB 4.41Å; W951-A955 HydrophobicContact CE3-CB 4.36Å; W951-A955 HydrophobicContact CH2-CB 3.98Å; W951-A955 HydrophobicContact CZ2-CB 4.04Å; W951-A955 HydrophobicContact CZ3-CB 4.16Å; W951-A955 VanDerWaalsContact O-CB 3.24Å; W951-A955 WeakPolarHBondContact O-CB 3.41Å; W951-A955 PolarHBondContact O-N 3.49Å; W951-W958 AromaticContact NE1-CZ3 3.89Å; W951-F961 HydrophobicContact CH2-CB 4.15Å; W951-F961 HydrophobicContact CZ2-CB 4.11Å; W951-F961 HydrophobicContact CZ2-CD1 4.38Å; W951-F961 HydrophobicContact CZ2-CG 4.13Å; W951-Q964 HydrophobicContact CH2-CB 4.02Å; W951-R965 HydrophobicContact CH2-CB 4.38Å; W951-R965 HydrophobicContact CZ3-CB 4.26Å; W951-V968 HydrophobicContact CE3-CB 4.29Å; W951-V968 HydrophobicContact CE3-CG1 4.21Å; W951-V968 HydrophobicContact CE3-CG2 3.98Å; W951-V968 HydrophobicContact CZ3-CB 3.99Å; W951-V968 HydrophobicContact CZ3-CG1 4.41Å; W951-V968 HydrophobicContact CZ3-CG2 3.62Å
952A92.6Very high91.4Very high0 Ų054.3 Ų54.30%028%0.28CS..Hα-helixtrans-63-34.4178.600000112.4L948 Q949 R965 V968 L969L948-A952 WeakPolarHBondContact O-CB 3.48Å; L948-A952 PolarHBondContact O-N 3.32Å; Q949-A952 PolarHBondContact O-N 3.18Å; A952-R965 WeakPolarHBondContact O-CD 3.48Å; A952-R965 PolarHBondContact O-NE 2.87Å; A952-V968 HydrophobicContact CB-CG1 4.15Å; A952-L969 HydrophobicContact CB-CD2 3.95Å; A952-L969 HydrophobicContact CB-CG 4.28Å
953N91.8Very high91.3Very high92 Ų9260 Ų6049%0.49231%0.306SS..Hα-helixtrans-69.4-45.6174.6-68.2-9000111.4Q949 K950 W951 A955 W956Q949-N953 PolarHBondContact NE2-OD1 3.26Å; Q949-N953 WeakPolarHBondContact O-CB 3.1Å; Q949-N953 PolarHBondContact O-N 3.05Å; Q949-N953 PolarHBondContact O-ND2 2.71Å; Q949-N953 PolarHBondContact O-OD1 3.04Å; K950-N953 PolarHBondContact O-N 3.41Å; W951-N953 VanDerWaalsContact C-N 3.28Å; W951-N953 PolarHBondContact O-N 3.15Å; N953-A955 VanDerWaalsContact C-N 3.34Å; N953-W956 VanDerWaalsContact O-CB 3.22Å; N953-W956 WeakPolarHBondContact O-CB 3.42Å; N953-W956 PolarHBondContact O-N 3.36Å
954A87.9Confident91.3Very high29 Ų2959.4 Ų59.424%0.2430%0.298CS..Hα-helixtrans-66.5-35.8176.900000112.6L746 K950 W951 W956 D957 W958L746-A954 HydrophobicContact CD1-CB 4.09Å; K950-A954 PolarHBondContact O-N 3.21Å; W951-A954 PolarHBondContact O-N 3.5Å; A954-W956 PolarHBondContact O-N 3.11Å; A954-W956 VanDerWaalsContact O-N 3.14Å; A954-D957 PolarHBondContact O-N 3.36Å; A954-W958 HydrophobicContact CB-CH2 3.84Å; A954-W958 HydrophobicContact CB-CZ2 4.16Å; A954-W958 HydrophobicContact CB-CZ3 4.3Å
955A88Confident91.2Very high2 Ų261.5 Ų61.52%0.01731%0.305CS..G310 helixtrans-66.8-9.2177.500000113.7W951 N953 D957 W958 R965W951-A955 HydrophobicContact CD2-CB 4.41Å; W951-A955 HydrophobicContact CE3-CB 4.36Å; W951-A955 HydrophobicContact CH2-CB 3.98Å; W951-A955 HydrophobicContact CZ2-CB 4.04Å; W951-A955 HydrophobicContact CZ3-CB 4.16Å; W951-A955 VanDerWaalsContact O-CB 3.24Å; W951-A955 WeakPolarHBondContact O-CB 3.41Å; W951-A955 PolarHBondContact O-N 3.49Å; N953-A955 VanDerWaalsContact C-N 3.34Å; A955-D957 PolarHBondContact O-N 3.39Å; A955-W958 VanDerWaalsContact CA-CE3 3.48Å; A955-W958 HydrophobicContact CB-CE3 3.81Å; A955-W958 HydrophobicContact CB-CZ3 4.28Å; A955-W958 PolarHBondContact O-N 3.28Å; A955-R965 HydrophobicContact CB-CB 4.34Å; A955-R965 HydrophobicContact CB-CG 4.34Å
956W85Confident91.2Very high176 Ų17664.1 Ų64.167%0.66733%0.328SS*.G310 helixtrans-55.3-37.9169.6-170.3-82.9000111.6N953 A954 W958 R965N953-W956 VanDerWaalsContact O-CB 3.22Å; N953-W956 WeakPolarHBondContact O-CB 3.42Å; N953-W956 PolarHBondContact O-N 3.36Å; A954-W956 PolarHBondContact O-N 3.11Å; A954-W956 VanDerWaalsContact O-N 3.14Å; W956-W958 VanDerWaalsContact C-N 3.27Å; W956-W958 PolarHBondContact O-N 3.34Å; W956-R965 VanDerWaalsContact CZ3-NH1 3.27Å; W956-R965 VanDerWaalsContact CZ3-NH2 3.25Å
957D85.7Confident91.3Very high129 Ų12963.8 Ų63.869%0.6932%0.324SS*.G310 helixtrans-84.82.2-179.6-63.1-31.7000113A954 A955 P959A954-D957 PolarHBondContact O-N 3.36Å; A955-D957 PolarHBondContact O-N 3.39Å; D957-P959 WeakPolarHBondContact O-CD 3.35Å
958W86.5Confident91.4Very high62 Ų6262.5 Ų62.524%0.23532%0.318CS..  trans-11984.5-175.6-54.7-24.8000111.3F748 W951 A954 A955 W956 K960 F961F748-W958 HydrophobicContact CD1-CH2 4.27Å; F748-W958 HydrophobicContact CD1-CZ3 4.14Å; F748-W958 HydrophobicContact CE1-CE3 4.09Å; F748-W958 AromaticContact CE1-CH2 3.56Å; F748-W958 HydrophobicContact CE1-CH2 3.56Å; F748-W958 AromaticContact CE1-CZ3 3.29Å; F748-W958 HydrophobicContact CE1-CZ3 3.29Å; F748-W958 HydrophobicContact CZ-CE3 4.13Å; F748-W958 HydrophobicContact CZ-CH2 4.39Å; F748-W958 AromaticContact CZ-CZ3 3.75Å; F748-W958 HydrophobicContact CZ-CZ3 3.75Å; W951-W958 AromaticContact NE1-CZ3 3.89Å; A954-W958 HydrophobicContact CB-CH2 3.84Å; A954-W958 HydrophobicContact CB-CZ2 4.16Å; A954-W958 HydrophobicContact CB-CZ3 4.3Å; A955-W958 VanDerWaalsContact CA-CE3 3.48Å; A955-W958 HydrophobicContact CB-CE3 3.81Å; A955-W958 HydrophobicContact CB-CZ3 4.28Å; A955-W958 PolarHBondContact O-N 3.28Å; W956-W958 VanDerWaalsContact C-N 3.27Å; W956-W958 PolarHBondContact O-N 3.34Å; W958-K960 PolarHBondContact O-N 2.87Å; W958-F961 HydrophobicContact CB-CD2 3.86Å; W958-F961 HydrophobicContact CD2-CD2 4.37Å; W958-F961 AromaticContact CE3-CD2 3.84Å; W958-F961 HydrophobicContact CE3-CD2 3.84Å; W958-F961 HydrophobicContact CE3-CE2 4.23Å; W958-F961 HydrophobicContact CG-CD2 4.43Å; W958-F961 PolarHBondContact O-N 3.26Å
959P85.4Confident91.4Very high114 Ų11464.3 Ų64.374%0.7433%0.327SS*.G310 helixtrans-53.7-30.1-177.7-27.333.6000114.2D957 F961 A962D957-P959 WeakPolarHBondContact O-CD 3.35Å; P959-F961 PolarHBondContact O-N 3.14Å; P959-A962 WeakPolarHBondContact O-CB 3.43Å; P959-A962 PolarHBondContact O-N 2.81Å
960K88.3Confident91.4Very high135 Ų13562 Ų6259%0.58732%0.324SS*.G310 helixtrans-61.7-21.7177.264160.2173.8155.90114.5D750 W958D750-K960 IonicContact OD2-NZ 3.54Å; D750-K960 PolarHBondContact OD2-NZ 3.02Å; W958-K960 PolarHBondContact O-N 2.87Å
961F88.9Confident91.5Very high6 Ų656.3 Ų56.33%0.02630%0.3CS..G310 helixtrans-106.916.2179.9-66.1-63.8000113.1F748 D750 F905 W951 W958 P959 E963 Q964 R965F748-F961 HydrophobicContact CE2-CE1 4.22Å; F748-F961 AromaticContact CE2-CE2 3.85Å; F748-F961 HydrophobicContact CE2-CE2 3.85Å; F748-F961 AromaticContact CE2-CZ 3.58Å; F748-F961 HydrophobicContact CE2-CZ 3.58Å; F748-F961 HydrophobicContact CZ-CD2 4.26Å; F748-F961 AromaticContact CZ-CE2 3.45Å; F748-F961 HydrophobicContact CZ-CE2 3.45Å; F748-F961 VanDerWaalsContact CZ-CE2 3.45Å; F748-F961 AromaticContact CZ-CZ 3.67Å; F748-F961 HydrophobicContact CZ-CZ 3.67Å; D750-F961 HydrophobicContact CB-CZ 3.99Å; D750-F961 WeakPolarHBondContact OD2-CZ 3.45Å; F905-F961 HydrophobicContact CE2-CE1 4.5Å; W951-F961 HydrophobicContact CH2-CB 4.15Å; W951-F961 HydrophobicContact CZ2-CB 4.11Å; W951-F961 HydrophobicContact CZ2-CD1 4.38Å; W951-F961 HydrophobicContact CZ2-CG 4.13Å; W958-F961 HydrophobicContact CB-CD2 3.86Å; W958-F961 HydrophobicContact CD2-CD2 4.37Å; W958-F961 AromaticContact CE3-CD2 3.84Å; W958-F961 HydrophobicContact CE3-CD2 3.84Å; W958-F961 HydrophobicContact CE3-CE2 4.23Å; W958-F961 HydrophobicContact CG-CD2 4.43Å; W958-F961 PolarHBondContact O-N 3.26Å; P959-F961 PolarHBondContact O-N 3.14Å; F961-E963 VanDerWaalsContact C-N 3.29Å; F961-E963 PolarHBondContact O-N 3.4Å; F961-Q964 VanDerWaalsContact CA-OE1 3.28Å; F961-Q964 HydrophobicContact CD1-CG 4.49Å; F961-Q964 PolarHBondContact O-N 3.18Å; F961-R965 WeakPolarHBondContact O-CB 3.31Å; F961-R965 PolarHBondContact O-N 2.99Å
962A91.8Very high91.6Very high61 Ų6157.3 Ų57.350%0.50431%0.305SS..Hα-helixtrans-57.5-41-175.900000112.9P959 A966P959-A962 WeakPolarHBondContact O-CB 3.43Å; P959-A962 PolarHBondContact O-N 2.81Å; A962-A966 PolarHBondContact O-N 3.43Å
963E93.6Very high91.7Very high121 Ų12162.3 Ų62.357%0.56533%0.332SS*.Hα-helixtrans-68.6-49.6177.8-177179.9-153.600111.6F961 R965 A966 F967F961-E963 VanDerWaalsContact C-N 3.29Å; F961-E963 PolarHBondContact O-N 3.4Å; E963-R965 PolarHBondContact O-N 2.86Å; E963-A966 WeakPolarHBondContact O-CB 3.47Å; E963-A966 PolarHBondContact O-N 2.9Å; E963-F967 HydrophobicContact CG-CD2 4.41Å; E963-F967 HydrophobicContact CG-CE1 4.09Å; E963-F967 HydrophobicContact CG-CE2 3.61Å; E963-F967 HydrophobicContact CG-CZ 3.41Å; E963-F967 VanDerWaalsContact CG-CZ 3.41Å; E963-F967 WeakPolarHBondContact O-CG 3.17Å; E963-F967 PolarHBondContact O-N 2.93Å; E963-F967 WeakPolarHBondContact OE1-CZ 3.42Å
964Q93.9Very high91.7Very high33 Ų3360.9 Ų60.915%0.15433%0.328CS..Hα-helixtrans-61.8-36.1177.8-65.877.812.500111.5F905 W951 F961 F967 V968F905-Q964 HydrophobicContact CB-CG 4.05Å; F905-Q964 HydrophobicContact CD1-CB 3.62Å; F905-Q964 HydrophobicContact CD1-CG 3.91Å; F905-Q964 HydrophobicContact CD2-CG 4.29Å; F905-Q964 HydrophobicContact CE1-CB 3.87Å; F905-Q964 HydrophobicContact CE1-CG 4.41Å; F905-Q964 HydrophobicContact CG-CB 4.09Å; F905-Q964 HydrophobicContact CG-CG 3.83Å; W951-Q964 HydrophobicContact CH2-CB 4.02Å; F961-Q964 VanDerWaalsContact CA-OE1 3.28Å; F961-Q964 HydrophobicContact CD1-CG 4.49Å; F961-Q964 PolarHBondContact O-N 3.18Å; Q964-F967 PolarHBondContact O-N 3.12Å; Q964-V968 WeakPolarHBondContact O-CG2 3.35Å; Q964-V968 PolarHBondContact O-N 3.36Å
965R94.4Very high92.1Very high49 Ų4959.7 Ų59.719%0.18532%0.318CS..Hα-helixtrans-62-43.2173-178.1178.7174.8-93.3-24.7111.5W951 A952 A955 W956 F961 E963 F967 V968 L969W951-R965 HydrophobicContact CH2-CB 4.38Å; W951-R965 HydrophobicContact CZ3-CB 4.26Å; A952-R965 WeakPolarHBondContact O-CD 3.48Å; A952-R965 PolarHBondContact O-NE 2.87Å; A955-R965 HydrophobicContact CB-CB 4.34Å; A955-R965 HydrophobicContact CB-CG 4.34Å; W956-R965 VanDerWaalsContact CZ3-NH1 3.27Å; W956-R965 VanDerWaalsContact CZ3-NH2 3.25Å; F961-R965 WeakPolarHBondContact O-CB 3.31Å; F961-R965 PolarHBondContact O-N 2.99Å; E963-R965 PolarHBondContact O-N 2.86Å; R965-F967 VanDerWaalsContact C-N 3.33Å; R965-F967 PolarHBondContact O-N 3.25Å; R965-V968 PolarHBondContact O-N 2.8Å; R965-L969 HydrophobicContact CG-CD1 4.08Å; R965-L969 WeakPolarHBondContact O-CB 3.34Å; R965-L969 VanDerWaalsContact O-CG 3.31Å; R965-L969 WeakPolarHBondContact O-CG 3.37Å; R965-L969 PolarHBondContact O-N 3.04Å
966A95.7Very high92.4Very high59 Ų5961.3 Ų61.349%0.48833%0.329SS..Hα-helixtrans-62.2-40174.500000111.9A962 E963 G970A962-A966 PolarHBondContact O-N 3.43Å; E963-A966 WeakPolarHBondContact O-CB 3.47Å; E963-A966 PolarHBondContact O-N 2.9Å; A966-G970 PolarHBondContact O-N 2.91Å
967F96.2Very high92.8Very high47 Ų4754.7 Ų54.721%0.20630%0.304CS..Hα-helixtrans-65.9-42175.4-57.9-26.7000112.9A904 N907 E963 Q964 R965 G970 F971A904-F967 VanDerWaalsContact O-CB 3.29Å; A904-F967 WeakPolarHBondContact O-CB 3.23Å; N907-F967 HydrophobicContact CB-CD1 4.13Å; N907-F967 HydrophobicContact CB-CD2 3.88Å; N907-F967 HydrophobicContact CB-CE1 4.31Å; N907-F967 HydrophobicContact CB-CE2 4.06Å; N907-F967 HydrophobicContact CB-CG 3.93Å; N907-F967 HydrophobicContact CB-CZ 4.27Å; E963-F967 HydrophobicContact CG-CD2 4.41Å; E963-F967 HydrophobicContact CG-CE1 4.09Å; E963-F967 HydrophobicContact CG-CE2 3.61Å; E963-F967 HydrophobicContact CG-CZ 3.41Å; E963-F967 VanDerWaalsContact CG-CZ 3.41Å; E963-F967 WeakPolarHBondContact O-CG 3.17Å; E963-F967 PolarHBondContact O-N 2.93Å; E963-F967 WeakPolarHBondContact OE1-CZ 3.42Å; Q964-F967 PolarHBondContact O-N 3.12Å; R965-F967 VanDerWaalsContact C-N 3.33Å; R965-F967 PolarHBondContact O-N 3.25Å; F967-G970 PolarHBondContact O-N 3.39Å; F967-F971 PolarHBondContact O-N 3.23Å
968V95.9Very high93.2Very high0 Ų051.7 Ų51.70%029%0.288CS..Hα-helixtrans-64.5-45176.81720000111.1L901 A904 F905 L948 W951 A952 Q964 R965 F971 L972L901-V968 HydrophobicContact CD1-CG2 3.96Å; A904-V968 HydrophobicContact CB-CG2 3.76Å; F905-V968 HydrophobicContact CD1-CG2 4.35Å; F905-V968 HydrophobicContact CE1-CG2 4.38Å; L948-V968 HydrophobicContact CB-CG1 4.04Å; L948-V968 HydrophobicContact CD2-CG1 4.47Å; W951-V968 HydrophobicContact CE3-CB 4.29Å; W951-V968 HydrophobicContact CE3-CG1 4.21Å; W951-V968 HydrophobicContact CE3-CG2 3.98Å; W951-V968 HydrophobicContact CZ3-CB 3.99Å; W951-V968 HydrophobicContact CZ3-CG1 4.41Å; W951-V968 HydrophobicContact CZ3-CG2 3.62Å; A952-V968 HydrophobicContact CB-CG1 4.15Å; Q964-V968 WeakPolarHBondContact O-CG2 3.35Å; Q964-V968 PolarHBondContact O-N 3.36Å; R965-V968 PolarHBondContact O-N 2.8Å; V968-F971 PolarHBondContact O-N 3.35Å; V968-L972 HydrophobicContact CG1-CD1 4.14Å; V968-L972 WeakPolarHBondContact O-CG 3.32Å; V968-L972 PolarHBondContact O-N 3.41Å
969L95.9Very high93.6Very high38 Ų3849.6 Ų49.620%0.19928%0.282CS..Hα-helixtrans-62.9-44.2175.1-70.2170.9000111.2A952 R965 F971 L972 D973A952-L969 HydrophobicContact CB-CD2 3.95Å; A952-L969 HydrophobicContact CB-CG 4.28Å; R965-L969 HydrophobicContact CG-CD1 4.08Å; R965-L969 WeakPolarHBondContact O-CB 3.34Å; R965-L969 VanDerWaalsContact O-CG 3.31Å; R965-L969 WeakPolarHBondContact O-CG 3.37Å; R965-L969 PolarHBondContact O-N 3.04Å; L969-F971 VanDerWaalsContact C-N 3.27Å; L969-F971 PolarHBondContact O-N 3.44Å; L969-L972 PolarHBondContact O-N 3.38Å; L969-L972 VanDerWaalsContact O-N 3.07Å; L969-D973 WeakPolarHBondContact O-CB 3.12Å; L969-D973 VanDerWaalsContact O-CG 3.23Å; L969-D973 PolarHBondContact O-N 2.62Å
970G95Very high94.1Very high28 Ų2844.3 Ų44.329%0.28925%0.247SC..Hα-helixtrans-58.9-35.8175.600000113.4A966 F967 S974A966-G970 PolarHBondContact O-N 2.91Å; F967-G970 PolarHBondContact O-N 3.39Å; G970-S974 WeakPolarHBondContact O-CB 3.42Å; G970-S974 PolarHBondContact O-N 3.11Å; G970-S974 VanDerWaalsContact O-N 3.15Å
971F95.9Very high94.4Very high2 Ų237.9 Ų37.91%0.00922%0.219CC..Hα-helixtrans-66.7-49170.7169.4-110.7000112.1Y909 I912 S913 L945 L948 F967 V968 L969 D973 S974 L975Y909-F971 HydrophobicContact CD1-CB 3.96Å; Y909-F971 HydrophobicContact CD1-CD2 4.45Å; Y909-F971 HydrophobicContact CD1-CG 4.5Å; Y909-F971 HydrophobicContact CD2-CB 4.08Å; Y909-F971 AromaticContact CD2-CD2 3.49Å; Y909-F971 HydrophobicContact CD2-CD2 3.49Å; Y909-F971 VanDerWaalsContact CD2-CD2 3.49Å; Y909-F971 HydrophobicContact CD2-CE2 4.4Å; Y909-F971 HydrophobicContact CD2-CG 4.21Å; Y909-F971 HydrophobicContact CE1-CB 4Å; Y909-F971 HydrophobicContact CE2-CB 4.13Å; Y909-F971 HydrophobicContact CE2-CD2 4.19Å; Y909-F971 HydrophobicContact CG-CB 3.98Å; Y909-F971 AromaticContact CG-CD2 3.64Å; Y909-F971 HydrophobicContact CG-CD2 3.64Å; Y909-F971 HydrophobicContact CG-CG 4.1Å; I912-F971 HydrophobicContact CG2-CE2 4.08Å; I912-F971 HydrophobicContact CG2-CZ 3.86Å; S913-F971 WeakPolarHBondContact OG-CE2 3.43Å; L945-F971 HydrophobicContact CD2-CE1 4.2Å; L948-F971 HydrophobicContact CD1-CD1 3.8Å; L948-F971 HydrophobicContact CD1-CE1 3.61Å; F967-F971 PolarHBondContact O-N 3.23Å; V968-F971 PolarHBondContact O-N 3.35Å; L969-F971 VanDerWaalsContact C-N 3.27Å; L969-F971 PolarHBondContact O-N 3.44Å; F971-D973 VanDerWaalsContact C-N 3.33Å; F971-D973 PolarHBondContact O-N 3.21Å; F971-S974 WeakPolarHBondContact O-CB 3.27Å; F971-S974 PolarHBondContact O-N 2.68Å; F971-S974 VanDerWaalsContact O-N 3.16Å; F971-S974 PolarHBondContact O-OG 2.92Å; F971-L975 HydrophobicContact CZ-CD1 4.32Å
972L95.5Very high94.6Very high20 Ų2041.9 Ų41.911%0.10524%0.238CC..Hα-helixtrans-60.5-43179.9-68.5172.1000111.8L945 L948 Q949 V968 L969 S974 L975L945-L972 HydrophobicContact CB-CD2 4.46Å; L945-L972 HydrophobicContact CD2-CD2 3.71Å; L948-L972 HydrophobicContact CB-CD1 4.31Å; L948-L972 HydrophobicContact CB-CD2 4.13Å; L948-L972 HydrophobicContact CD1-CD2 4.35Å; Q949-L972 HydrophobicContact CB-CD1 4.32Å; V968-L972 HydrophobicContact CG1-CD1 4.14Å; V968-L972 WeakPolarHBondContact O-CG 3.32Å; V968-L972 PolarHBondContact O-N 3.41Å; L969-L972 PolarHBondContact O-N 3.38Å; L969-L972 VanDerWaalsContact O-N 3.07Å; L972-S974 VanDerWaalsContact C-N 3.27Å; L972-S974 PolarHBondContact O-N 3.17Å; L972-L975 PolarHBondContact O-N 2.68Å
973D93.5Very high94.7Very high106 Ų10639.6 Ų39.657%0.56722%0.216SC*.Hα-helixtrans-70.6-21.6178.7-65.5-26.4000112.4L969 F971 L975L969-D973 WeakPolarHBondContact O-CB 3.12Å; L969-D973 VanDerWaalsContact O-CG 3.23Å; L969-D973 PolarHBondContact O-N 2.62Å; F971-D973 VanDerWaalsContact C-N 3.33Å; F971-D973 PolarHBondContact O-N 3.21Å; D973-L975 PolarHBondContact O-N 2.69Å
974S92.9Very high94.7Very high61 Ų6133.9 Ų33.943%0.42719%0.19SC..THydrogen-bonded Turntrans-72.4-13.8176.1770000113.9G970 F971 L972G970-S974 WeakPolarHBondContact O-CB 3.42Å; G970-S974 PolarHBondContact O-N 3.11Å; G970-S974 VanDerWaalsContact O-N 3.15Å; F971-S974 WeakPolarHBondContact O-CB 3.27Å; F971-S974 PolarHBondContact O-N 2.68Å; F971-S974 VanDerWaalsContact O-N 3.16Å; F971-S974 PolarHBondContact O-OG 2.92Å; L972-S974 VanDerWaalsContact C-N 3.27Å; L972-S974 PolarHBondContact O-N 3.17Å
975L95.1Very high94.6Very high5 Ų533.9 Ų33.93%0.02619%0.192CC..SBendtrans-87.9134.9-176.1-61.4176000111.4V916 L945 F971 L972 D973 K977 L980V916-L975 HydrophobicContact CB-CD2 4.43Å; V916-L975 HydrophobicContact CG1-CD1 4.25Å; V916-L975 HydrophobicContact CG1-CD2 3.81Å; L945-L975 HydrophobicContact CD1-CD1 4.11Å; L945-L975 HydrophobicContact CD2-CD1 3.51Å; L945-L975 HydrophobicContact CG-CD1 4.47Å; F971-L975 HydrophobicContact CZ-CD1 4.32Å; L972-L975 PolarHBondContact O-N 2.68Å; D973-L975 PolarHBondContact O-N 2.69Å; L975-K977 PolarHBondContact O-N 3.04Å; L975-K977 VanDerWaalsContact O-N 3.17Å; L975-L980 HydrophobicContact CB-CD1 4.04Å
976P94.9Very high94.3Very high36 Ų3633.9 Ų33.923%0.23420%0.195CC..  trans-66.3113.9-179.225.1-32.8000111.7L917 D978 L979 L980L917-P976 HydrophobicContact CD2-CG 3.62Å; P976-D978 WeakPolarHBondContact CB-OD1 3.21Å; P976-L979 HydrophobicContact CB-CB 4.07Å; P976-L979 HydrophobicContact CG-CB 3.92Å; P976-L979 HydrophobicContact CG-CD2 3.96Å; P976-L979 PolarHBondContact O-N 2.88Å; P976-L980 WeakPolarHBondContact O-CG 3.4Å; P976-L980 PolarHBondContact O-N 3.35Å
977K94.7Very high94Very high36 Ų3632 Ų3216%0.15718%0.178CC..Hα-helixtrans-69.6-34.9-174.8-61.8-176.1-166.4174.70113.4L975 L979 L980 A981 A999 E1003L975-K977 PolarHBondContact O-N 3.04Å; L975-K977 VanDerWaalsContact O-N 3.17Å; K977-L979 VanDerWaalsContact C-N 3.33Å; K977-L979 PolarHBondContact O-N 2.78Å; K977-L980 PolarHBondContact O-N 3.39Å; K977-A981 WeakPolarHBondContact O-CB 3.43Å; K977-A981 PolarHBondContact O-N 3.18Å; K977-A999 HydrophobicContact CD-CB 3.83Å; K977-E1003 WeakPolarHBondContact CD-OE2 3.43Å; K977-E1003 VanDerWaalsContact CE-OE1 3.31Å; K977-E1003 WeakPolarHBondContact CE-OE1 3.46Å; K977-E1003 VanDerWaalsContact CE-OE2 3.28Å; K977-E1003 WeakPolarHBondContact CE-OE2 3.08Å; K977-E1003 IonicContact NZ-OE1 2.91Å; K977-E1003 PolarHBondContact NZ-OE1 2.9Å; K977-E1003 IonicContact NZ-OE2 3.05Å; K977-E1003 PolarHBondContact NZ-OE2 3.48Å; K977-E1003 VanDerWaalsContact NZ-OE2 3.15Å
978D93.4Very high93.7Very high66 Ų6639 Ų3935%0.35320%0.203SC..Hα-helixtrans-57.4-46.4171.962.3-42.9000111.4P976 A981 E982 Y1000P976-D978 WeakPolarHBondContact CB-OD1 3.21Å; D978-A981 WeakPolarHBondContact O-CB 3.46Å; D978-A981 PolarHBondContact O-N 3.49Å; D978-E982 PolarHBondContact O-N 3.19Å; D978-Y1000 HydrophobicContact CB-CD1 3.98Å; D978-Y1000 HydrophobicContact CB-CD2 3.96Å; D978-Y1000 HydrophobicContact CB-CE1 3.88Å; D978-Y1000 HydrophobicContact CB-CE2 3.85Å; D978-Y1000 HydrophobicContact CB-CG 4.01Å
979L94.3Very high93.5Very high18 Ų1841.3 Ų41.39%0.09422%0.216CC..Hα-helixtrans-68.8-41.2178.7-171.564.3000111.2L920 R921 P976 K977 A981 E982 R983L920-L979 HydrophobicContact CB-CD2 3.42Å; L920-L979 VanDerWaalsContact CB-CD2 3.42Å; L920-L979 HydrophobicContact CB-CG 3.82Å; L920-L979 HydrophobicContact CD1-CD2 4.35Å; R921-L979 HydrophobicContact CG-CD2 3.74Å; P976-L979 HydrophobicContact CB-CB 4.07Å; P976-L979 HydrophobicContact CG-CB 3.92Å; P976-L979 HydrophobicContact CG-CD2 3.96Å; P976-L979 PolarHBondContact O-N 2.88Å; K977-L979 VanDerWaalsContact C-N 3.33Å; K977-L979 PolarHBondContact O-N 2.78Å; L979-A981 VanDerWaalsContact C-N 3.29Å; L979-A981 PolarHBondContact O-N 2.96Å; L979-E982 PolarHBondContact O-N 2.94Å; L979-R983 VanDerWaalsContact O-CG 3.28Å; L979-R983 WeakPolarHBondContact O-CG 3.39Å; L979-R983 PolarHBondContact O-N 2.9Å
980L96.1Very high93.4Very high4 Ų442.6 Ų42.62%0.02122%0.219CC..Hα-helixtrans-58.5-42.3173.5-71.2169.3000111.5L920 F942 L945 L975 P976 K977 R983 A984 Y996L920-L980 HydrophobicContact CD1-CD2 3.7Å; L920-L980 HydrophobicContact CD1-CG 4.28Å; L920-L980 HydrophobicContact CD2-CD2 3.97Å; F942-L980 HydrophobicContact CE1-CD2 3.85Å; F942-L980 WeakPolarHBondContact CZ-O 3.42Å; L945-L980 HydrophobicContact CD1-CD2 3.69Å; L975-L980 HydrophobicContact CB-CD1 4.04Å; P976-L980 WeakPolarHBondContact O-CG 3.4Å; P976-L980 PolarHBondContact O-N 3.35Å; K977-L980 PolarHBondContact O-N 3.39Å; L980-R983 PolarHBondContact O-N 3.43Å; L980-A984 WeakPolarHBondContact O-CB 3.42Å; L980-A984 PolarHBondContact O-N 3.26Å; L980-Y996 HydrophobicContact CB-CD1 4.18Å; L980-Y996 HydrophobicContact CB-CD2 3.73Å; L980-Y996 HydrophobicContact CB-CE1 4.43Å; L980-Y996 HydrophobicContact CB-CE2 3.99Å; L980-Y996 HydrophobicContact CB-CG 3.84Å; L980-Y996 HydrophobicContact CD1-CD1 4.03Å; L980-Y996 HydrophobicContact CD1-CE1 3.78Å
981A94.7Very high93.3Very high0 Ų045.6 Ų45.60%023%0.231CC..Hα-helixtrans-61.8-48.1175.900000111.7K977 D978 L979 R983 A984 V985 A993 Y997K977-A981 WeakPolarHBondContact O-CB 3.43Å; K977-A981 PolarHBondContact O-N 3.18Å; D978-A981 WeakPolarHBondContact O-CB 3.46Å; D978-A981 PolarHBondContact O-N 3.49Å; L979-A981 VanDerWaalsContact C-N 3.29Å; L979-A981 PolarHBondContact O-N 2.96Å; A981-R983 VanDerWaalsContact C-N 3.33Å; A981-R983 PolarHBondContact O-N 3.06Å; A981-A984 WeakPolarHBondContact O-CB 3.47Å; A981-A984 PolarHBondContact O-N 3.24Å; A981-A984 VanDerWaalsContact O-N 3.16Å; A981-V985 WeakPolarHBondContact O-CG2 3.5Å; A981-V985 PolarHBondContact O-N 2.68Å; A981-A993 WeakPolarHBondContact CB-O 3.19Å; A981-A993 WeakPolarHBondContact O-CB 3.25Å; A981-Y997 HydrophobicContact CB-CD2 3.83Å; A981-Y997 HydrophobicContact CB-CG 4.35Å
982E93Very high93.3Very high89 Ų8947.7 Ų47.742%0.41624%0.239SC..Hα-helixtrans-59-43.7177.8-166.9-162.6173.800111.8D978 L979 A984 V985 L986D978-E982 PolarHBondContact O-N 3.19Å; L979-E982 PolarHBondContact O-N 2.94Å; E982-A984 VanDerWaalsContact C-N 3.35Å; E982-A984 PolarHBondContact O-N 3.18Å; E982-V985 WeakPolarHBondContact O-CB 3.45Å; E982-V985 PolarHBondContact O-N 3.41Å; E982-L986 PolarHBondContact O-N 3.29Å; E982-L986 VanDerWaalsContact O-N 3.1Å
983R93.9Very high93.3Very high14 Ų1446.7 Ų46.75%0.05323%0.234CC..Hα-helixtrans-71.3-28.5178.1-60.4-51.3125.5165.86.7113.1L920 C922 Q934 V938 F942 L979 L980 A981 L986 C987L920-R983 HydrophobicContact CB-CG 4.27Å; L920-R983 HydrophobicContact CD2-CB 4.01Å; L920-R983 HydrophobicContact CD2-CG 3.69Å; L920-R983 WeakPolarHBondContact O-CD 3.48Å; L920-R983 PolarHBondContact O-NE 2.85Å; C922-R983 PolarHBondContact O-NH1 3.06Å; Q934-R983 VanDerWaalsContact NE2-NH1 3.12Å; V938-R983 HydrophobicContact CG1-CB 3.88Å; V938-R983 HydrophobicContact CG2-CB 4.31Å; F942-R983 HydrophobicContact CZ-CB 4.33Å; L979-R983 VanDerWaalsContact O-CG 3.28Å; L979-R983 WeakPolarHBondContact O-CG 3.39Å; L979-R983 PolarHBondContact O-N 2.9Å; L980-R983 PolarHBondContact O-N 3.43Å; A981-R983 VanDerWaalsContact C-N 3.33Å; A981-R983 PolarHBondContact O-N 3.06Å; R983-L986 WeakPolarHBondContact O-CB 3.38Å; R983-L986 PolarHBondContact O-N 3.23Å; R983-C987 PolarHBondContact O-N 2.94Å; R983-C987 PolarHBondContact O-SG 3.01Å; R983-C987 VanDerWaalsContact O-SG 3.36Å
984A94.5Very high93.4Very high0 Ų042.5 Ų42.50%021%0.211CC..Hα-helixtrans-66.8-39.7171.100000111.3F942 L980 A981 E982 L986 C987 R988 D989 R992 A993F942-A984 HydrophobicContact CE2-CB 4.03Å; F942-A984 HydrophobicContact CZ-CB 3.79Å; L980-A984 WeakPolarHBondContact O-CB 3.42Å; L980-A984 PolarHBondContact O-N 3.26Å; A981-A984 WeakPolarHBondContact O-CB 3.47Å; A981-A984 PolarHBondContact O-N 3.24Å; A981-A984 VanDerWaalsContact O-N 3.16Å; E982-A984 VanDerWaalsContact C-N 3.35Å; E982-A984 PolarHBondContact O-N 3.18Å; A984-L986 VanDerWaalsContact C-N 3.34Å; A984-L986 PolarHBondContact O-N 3.5Å; A984-C987 CarbonylContact O-C 3.47Å; A984-C987 WeakPolarHBondContact O-CA 3.33Å; A984-C987 PolarHBondContact O-N 2.93Å; A984-C987 VanDerWaalsContact O-N 3.08Å; A984-R988 PolarHBondContact O-N 3.14Å; A984-R988 VanDerWaalsContact O-N 3.14Å; A984-D989 PolarHBondContact O-N 2.99Å; A984-R992 HydrophobicContact CB-CB 4.2Å; A984-R992 HydrophobicContact CB-CG 3.96Å; A984-A993 HydrophobicContact CB-CB 3.73Å
985V91.7Very high93.4Very high34 Ų3443.6 Ų43.621%0.20622%0.215CC..Hα-helixtrans-60.8-42.1171.8176.80000111.6A981 E982 C987 R988 Y990 A993 Y1017 L1021A981-V985 WeakPolarHBondContact O-CG2 3.5Å; A981-V985 PolarHBondContact O-N 2.68Å; E982-V985 WeakPolarHBondContact O-CB 3.45Å; E982-V985 PolarHBondContact O-N 3.41Å; V985-C987 PolarHBondContact O-N 2.82Å; V985-R988 WeakPolarHBondContact O-CA 3.31Å; V985-R988 PolarHBondContact O-N 2.86Å; V985-Y990 HydrophobicContact CG1-CE1 4.35Å; V985-A993 HydrophobicContact CG2-CB 3.59Å; V985-Y1017 WeakPolarHBondContact CG2-OH 3.45Å; V985-L1021 HydrophobicContact CG2-CD2 3.55Å
986L87.9Confident93.5Very high49 Ų4945.6 Ų45.626%0.25722%0.223SC..Hα-helixtrans-58.1-33.1174.6-179.968.2000112.6Q934 R935 E982 R983 A984 R988Q934-L986 HydrophobicContact CG-CD2 4.09Å; R935-L986 PolarHBondContact NE-O 3.31Å; R935-L986 VanDerWaalsContact NE-O 3.13Å; E982-L986 PolarHBondContact O-N 3.29Å; E982-L986 VanDerWaalsContact O-N 3.1Å; R983-L986 WeakPolarHBondContact O-CB 3.38Å; R983-L986 PolarHBondContact O-N 3.23Å; A984-L986 VanDerWaalsContact C-N 3.34Å; A984-L986 PolarHBondContact O-N 3.5Å; L986-R988 VanDerWaalsContact C-N 3.3Å
987C89.5Confident93.5Very high19 Ų1944.7 Ų44.713%0.12822%0.215CC..THydrogen-bonded Turntrans-84.3-0.8175.4-640000113.9R935 V938 R983 A984 V985 D989R935-C987 HydrophobicContact CG-CB 4.48Å; V938-C987 WeakPolarHBondContact CG1-SG 3.18Å; R983-C987 PolarHBondContact O-N 2.94Å; R983-C987 PolarHBondContact O-SG 3.01Å; R983-C987 VanDerWaalsContact O-SG 3.36Å; A984-C987 CarbonylContact O-C 3.47Å; A984-C987 WeakPolarHBondContact O-CA 3.33Å; A984-C987 PolarHBondContact O-N 2.93Å; A984-C987 VanDerWaalsContact O-N 3.08Å; V985-C987 PolarHBondContact O-N 2.82Å; C987-D989 PolarHBondContact O-N 3.14Å
988R89.4Confident93.4Very high193 Ų19346.4 Ų46.473%0.72822%0.223SC*.THydrogen-bonded Turntrans57.330.4-171.7-54.4-173.6178-169-1.9113.6A984 V985 L986 Y990A984-R988 PolarHBondContact O-N 3.14Å; A984-R988 VanDerWaalsContact O-N 3.14Å; V985-R988 WeakPolarHBondContact O-CA 3.31Å; V985-R988 PolarHBondContact O-N 2.86Å; L986-R988 VanDerWaalsContact C-N 3.3Å; R988-Y990 HydrophobicContact CB-CE2 4.15Å
989D92Very high93.3Very high49 Ų4944.9 Ų44.926%0.26222%0.22SC..  trans-100.276.2174.5-171-9.7000109.4A984 C987 T991 R992 A993A984-D989 PolarHBondContact O-N 2.99Å; C987-D989 PolarHBondContact O-N 3.14Å; D989-T991 PolarHBondContact O-N 2.86Å; D989-R992 HydrophobicContact CB-CB 4.24Å; D989-R992 PolarHBondContact O-N 2.67Å; D989-R992 WeakPolarHBondContact OD1-CB 3.45Å; D989-R992 PolarHBondContact OD1-N 3.02Å; D989-R992 WeakPolarHBondContact OD2-CB 3.27Å; D989-R992 IonicContact OD2-CZ 3.19Å; D989-R992 IonicContact OD2-NE 3.2Å; D989-R992 IonicContact OD2-NH1 2.78Å; D989-R992 PolarHBondContact OD2-NH1 2.94Å; D989-A993 WeakPolarHBondContact O-CB 3.34Å; D989-A993 PolarHBondContact O-N 3.32Å
990Y94.3Very high93.3Very high66 Ų6646.4 Ų46.426%0.25923%0.225SC..Hα-helixtrans-69.4-32.1-170.7-52.8-64.4000112.9V985 R988 A993 L994 Y1024V985-Y990 HydrophobicContact CG1-CE1 4.35Å; R988-Y990 HydrophobicContact CB-CE2 4.15Å; Y990-A993 PolarHBondContact O-N 3.41Å; Y990-L994 WeakPolarHBondContact O-CB 3.49Å; Y990-L994 PolarHBondContact O-N 3.4Å; Y990-Y1024 AromaticContact CD1-CD2 3.65Å; Y990-Y1024 HydrophobicContact CD1-CD2 3.65Å; Y990-Y1024 HydrophobicContact CD1-CE2 4.46Å; Y990-Y1024 AromaticContact CD1-CG 3.76Å; Y990-Y1024 HydrophobicContact CD1-CG 3.76Å; Y990-Y1024 HydrophobicContact CE1-CD1 4.33Å; Y990-Y1024 AromaticContact CE1-CD2 3.81Å; Y990-Y1024 HydrophobicContact CE1-CD2 3.81Å; Y990-Y1024 HydrophobicContact CE1-CE2 4.28Å; Y990-Y1024 AromaticContact CE1-CG 3.85Å; Y990-Y1024 HydrophobicContact CE1-CG 3.85Å; Y990-Y1024 HydrophobicContact CG-CD2 4.44Å; Y990-Y1024 HydrophobicContact CG-CG 4.21Å
991T93.2Very high93Very high90 Ų9046.8 Ų46.855%0.55223%0.227SC*.Hα-helixtrans-64.1-46.4175.2-50.20000110.8D989 A993 L994 V995D989-T991 PolarHBondContact O-N 2.86Å; T991-A993 VanDerWaalsContact C-N 3.34Å; T991-L994 PolarHBondContact O-N 3.31Å; T991-V995 WeakPolarHBondContact O-CG2 3.27Å; T991-V995 PolarHBondContact O-N 3.21Å; T991-V995 VanDerWaalsContact O-N 3.08Å
992R95Very high92.8Very high46 Ų4650.1 Ų50.117%0.17425%0.247CC..Hα-helixtrans-63.3-42.1174.2177.2-177.4-80.6146.9-10.4111.7D946 A984 D989 L994 V995 Y996D946-R992 IonicContact OD1-CZ 3.56Å; D946-R992 IonicContact OD1-NE 2.81Å; D946-R992 IonicContact OD1-NH2 3.54Å; D946-R992 PolarHBondContact OD1-NH2 3.16Å; D946-R992 IonicContact OD2-CZ 2.81Å; D946-R992 IonicContact OD2-NH2 3.94Å; D946-R992 PolarHBondContact OD2-NH2 3.47Å; A984-R992 HydrophobicContact CB-CB 4.2Å; A984-R992 HydrophobicContact CB-CG 3.96Å; D989-R992 HydrophobicContact CB-CB 4.24Å; D989-R992 PolarHBondContact O-N 2.67Å; D989-R992 WeakPolarHBondContact OD1-CB 3.45Å; D989-R992 PolarHBondContact OD1-N 3.02Å; D989-R992 WeakPolarHBondContact OD2-CB 3.27Å; D989-R992 IonicContact OD2-CZ 3.19Å; D989-R992 IonicContact OD2-NE 3.2Å; D989-R992 IonicContact OD2-NH1 2.78Å; D989-R992 PolarHBondContact OD2-NH1 2.94Å; R992-L994 VanDerWaalsContact C-N 3.29Å; R992-L994 PolarHBondContact O-N 2.94Å; R992-V995 PolarHBondContact O-N 3.22Å; R992-Y996 HydrophobicContact CG-CD2 3.65Å; R992-Y996 HydrophobicContact CG-CE2 3.38Å; R992-Y996 VanDerWaalsContact O-CD2 3.3Å; R992-Y996 WeakPolarHBondContact O-CD2 3.25Å; R992-Y996 PolarHBondContact O-N 3.21Å; R992-Y996 VanDerWaalsContact O-N 3.11Å
993A95.6Very high92.6Very high0 Ų050.4 Ų50.40%025%0.249CC..Hα-helixtrans-58.1-45177.600000111.6A981 A984 V985 D989 Y990 T991 Y996 Y997 L1021A981-A993 WeakPolarHBondContact CB-O 3.19Å; A981-A993 WeakPolarHBondContact O-CB 3.25Å; A984-A993 HydrophobicContact CB-CB 3.73Å; V985-A993 HydrophobicContact CG2-CB 3.59Å; D989-A993 WeakPolarHBondContact O-CB 3.34Å; D989-A993 PolarHBondContact O-N 3.32Å; Y990-A993 PolarHBondContact O-N 3.41Å; T991-A993 VanDerWaalsContact C-N 3.34Å; A993-Y996 PolarHBondContact O-N 3.24Å; A993-Y997 WeakPolarHBondContact O-CB 3.49Å; A993-Y997 PolarHBondContact O-N 3.18Å; A993-L1021 HydrophobicContact CB-CD2 3.89Å
994L95.1Very high92.3Very high17 Ų1751.5 Ų51.59%0.08926%0.255CS..Hα-helixtrans-61-49.1177.4-178.763000111.7Y990 T991 R992 Y996 Y997 E998 L1018 L1021 Y1022 V1025Y990-L994 WeakPolarHBondContact O-CB 3.49Å; Y990-L994 PolarHBondContact O-N 3.4Å; T991-L994 PolarHBondContact O-N 3.31Å; R992-L994 VanDerWaalsContact C-N 3.29Å; R992-L994 PolarHBondContact O-N 2.94Å; L994-Y996 PolarHBondContact O-N 3.39Å; L994-Y997 PolarHBondContact O-N 3.49Å; L994-Y997 VanDerWaalsContact O-N 3.15Å; L994-E998 HydrophobicContact CD1-CG 3.99Å; L994-E998 HydrophobicContact CG-CG 4.32Å; L994-E998 WeakPolarHBondContact O-CB 3.35Å; L994-E998 WeakPolarHBondContact O-CG 3.33Å; L994-E998 PolarHBondContact O-N 3.16Å; L994-L1018 HydrophobicContact CD1-CD1 3.73Å; L994-L1021 HydrophobicContact CD1-CB 4.06Å; L994-Y1022 HydrophobicContact CD1-CD1 3.86Å; L994-Y1022 HydrophobicContact CD1-CE1 3.59Å; L994-Y1022 HydrophobicContact CD1-CE2 4.41Å; L994-Y1022 HydrophobicContact CD1-CG 4.34Å; L994-Y1022 HydrophobicContact CD2-CD1 3.77Å; L994-Y1022 HydrophobicContact CD2-CE1 3.66Å; L994-Y1022 HydrophobicContact CG-CD1 4.48Å; L994-Y1022 HydrophobicContact CG-CE1 4.17Å; L994-V1025 HydrophobicContact CD2-CG2 4.26Å
995V94.1Very high91.7Very high84 Ų8456.6 Ų56.651%0.50928%0.279SS..Hα-helixtrans-57.3-46.1179.6170.80000111.9T991 R992 A999T991-V995 WeakPolarHBondContact O-CG2 3.27Å; T991-V995 PolarHBondContact O-N 3.21Å; T991-V995 VanDerWaalsContact O-N 3.08Å; R992-V995 PolarHBondContact O-N 3.22Å; V995-A999 WeakPolarHBondContact O-CB 3.39Å; V995-A999 PolarHBondContact O-N 3.23Å
996Y95.4Very high91.3Very high47 Ų4761.2 Ų61.218%0.18430%0.302CS..Hα-helixtrans-67.6-38.8178.1-74.6-54.5000112.4F942 L980 R992 A993 L994 A999 Y1000F942-Y996 HydrophobicContact CD1-CE2 4.37Å; F942-Y996 AromaticContact CE1-CE2 3.83Å; F942-Y996 HydrophobicContact CE1-CE2 3.83Å; L980-Y996 HydrophobicContact CB-CD1 4.18Å; L980-Y996 HydrophobicContact CB-CD2 3.73Å; L980-Y996 HydrophobicContact CB-CE1 4.43Å; L980-Y996 HydrophobicContact CB-CE2 3.99Å; L980-Y996 HydrophobicContact CB-CG 3.84Å; L980-Y996 HydrophobicContact CD1-CD1 4.03Å; L980-Y996 HydrophobicContact CD1-CE1 3.78Å; R992-Y996 HydrophobicContact CG-CD2 3.65Å; R992-Y996 HydrophobicContact CG-CE2 3.38Å; R992-Y996 VanDerWaalsContact O-CD2 3.3Å; R992-Y996 WeakPolarHBondContact O-CD2 3.25Å; R992-Y996 PolarHBondContact O-N 3.21Å; R992-Y996 VanDerWaalsContact O-N 3.11Å; A993-Y996 PolarHBondContact O-N 3.24Å; L994-Y996 PolarHBondContact O-N 3.39Å; Y996-A999 PolarHBondContact O-N 3.17Å; Y996-Y1000 WeakPolarHBondContact O-CB 3.28Å; Y996-Y1000 PolarHBondContact O-N 3.23Å
997Y94.8Very high91Very high18 Ų1861.7 Ų61.77%0.07132%0.319CS..Hα-helixtrans-72.8-37.6-178-153.4-106.8000112.8A981 A993 L994 Y1000 I1001 H1014 Y1017 L1018 L1021A981-Y997 HydrophobicContact CB-CD2 3.83Å; A981-Y997 HydrophobicContact CB-CG 4.35Å; A993-Y997 WeakPolarHBondContact O-CB 3.49Å; A993-Y997 PolarHBondContact O-N 3.18Å; L994-Y997 PolarHBondContact O-N 3.49Å; L994-Y997 VanDerWaalsContact O-N 3.15Å; Y997-Y1000 HydrophobicContact CD2-CD1 4.42Å; Y997-Y1000 HydrophobicContact CE2-CD1 4.2Å; Y997-Y1000 WeakPolarHBondContact O-CB 3.37Å; Y997-Y1000 PolarHBondContact O-N 3.37Å; Y997-I1001 HydrophobicContact CD1-CD1 3.61Å; Y997-I1001 HydrophobicContact CD1-CG1 4.21Å; Y997-I1001 HydrophobicContact CE1-CD1 3.59Å; Y997-I1001 HydrophobicContact CE1-CG1 4.15Å; Y997-I1001 WeakPolarHBondContact O-CG1 3.05Å; Y997-I1001 PolarHBondContact O-N 2.89Å; Y997-H1014 HydrophobicContact CE1-CB 4.13Å; Y997-H1014 AromaticContact CZ-ND1 3.87Å; Y997-H1014 PolarHBondContact OH-ND1 2.94Å; Y997-Y1017 AromaticContact CD1-CD1 3.89Å; Y997-Y1017 HydrophobicContact CD1-CD1 3.89Å; Y997-Y1017 HydrophobicContact CD1-CE1 4.48Å; Y997-Y1017 AromaticContact CD2-CD1 3.86Å; Y997-Y1017 HydrophobicContact CD2-CD1 3.86Å; Y997-Y1017 AromaticContact CD2-CE1 3.81Å; Y997-Y1017 HydrophobicContact CD2-CE1 3.81Å; Y997-Y1017 AromaticContact CE1-CD1 3.49Å; Y997-Y1017 HydrophobicContact CE1-CD1 3.49Å; Y997-Y1017 VanDerWaalsContact CE1-CD1 3.49Å; Y997-Y1017 HydrophobicContact CE1-CE1 4.39Å; Y997-Y1017 HydrophobicContact CE1-CG 4.28Å; Y997-Y1017 AromaticContact CE2-CD1 3.47Å; Y997-Y1017 HydrophobicContact CE2-CD1 3.47Å; Y997-Y1017 VanDerWaalsContact CE2-CD1 3.47Å; Y997-Y1017 AromaticContact CE2-CE1 3.71Å; Y997-Y1017 HydrophobicContact CE2-CE1 3.71Å; Y997-Y1017 HydrophobicContact CE2-CG 4.46Å; Y997-Y1017 HydrophobicContact CG-CD1 4.05Å; Y997-Y1017 HydrophobicContact CG-CE1 4.2Å; Y997-Y1017 AromaticContact CZ-CD1 3.26Å; Y997-Y1017 AromaticContact CZ-CG 3.99Å; Y997-L1018 HydrophobicContact CD1-CB 4.22Å; Y997-L1018 HydrophobicContact CD1-CD1 4.03Å; Y997-L1018 HydrophobicContact CE1-CB 4.22Å; Y997-L1021 HydrophobicContact CD1-CD1 3.95Å; Y997-L1021 HydrophobicContact CG-CD1 3.78Å
998E93.3Very high90.4Very high72 Ų7272 Ų7234%0.33636%0.356SS..Hα-helixtrans-59.7-48.5171.4-75.3179.5162.500110.4L994 Y1000 I1001 T1002 L1018 Y1022L994-E998 HydrophobicContact CD1-CG 3.99Å; L994-E998 HydrophobicContact CG-CG 4.32Å; L994-E998 WeakPolarHBondContact O-CB 3.35Å; L994-E998 WeakPolarHBondContact O-CG 3.33Å; L994-E998 PolarHBondContact O-N 3.16Å; E998-Y1000 VanDerWaalsContact C-N 3.29Å; E998-Y1000 PolarHBondContact O-N 3.18Å; E998-I1001 PolarHBondContact O-N 3.42Å; E998-T1002 PolarHBondContact O-N 3.5Å; E998-T1002 PolarHBondContact O-OG1 3.27Å; E998-L1018 HydrophobicContact CG-CD1 4.18Å; E998-Y1022 PolarHBondContact OE1-OH 2.65Å
999A92.4Very high89.8Confident34 Ų3465 Ų6528%0.28134%0.339SS..Hα-helixtrans-60.9-37.8177.400000112.6K977 V995 Y996 E1003K977-A999 HydrophobicContact CD-CB 3.83Å; V995-A999 WeakPolarHBondContact O-CB 3.39Å; V995-A999 PolarHBondContact O-N 3.23Å; Y996-A999 PolarHBondContact O-N 3.17Å; A999-E1003 WeakPolarHBondContact O-CG 3.46Å; A999-E1003 PolarHBondContact O-N 3.14Å; A999-E1003 VanDerWaalsContact O-N 3.17Å
1000Y93.2Very high89.1Confident50 Ų5067.8 Ų67.820%0.19635%0.354CS..Hα-helixtrans-63.9-46.2174.2175.4-112.5000112.2D978 Y996 Y997 E998 T1002 E1003 L1004 H1014D978-Y1000 HydrophobicContact CB-CD1 3.98Å; D978-Y1000 HydrophobicContact CB-CD2 3.96Å; D978-Y1000 HydrophobicContact CB-CE1 3.88Å; D978-Y1000 HydrophobicContact CB-CE2 3.85Å; D978-Y1000 HydrophobicContact CB-CG 4.01Å; Y996-Y1000 WeakPolarHBondContact O-CB 3.28Å; Y996-Y1000 PolarHBondContact O-N 3.23Å; Y997-Y1000 HydrophobicContact CD2-CD1 4.42Å; Y997-Y1000 HydrophobicContact CE2-CD1 4.2Å; Y997-Y1000 WeakPolarHBondContact O-CB 3.37Å; Y997-Y1000 PolarHBondContact O-N 3.37Å; E998-Y1000 VanDerWaalsContact C-N 3.29Å; E998-Y1000 PolarHBondContact O-N 3.18Å; Y1000-T1002 VanDerWaalsContact C-N 3.34Å; Y1000-T1002 PolarHBondContact O-N 3.5Å; Y1000-E1003 PolarHBondContact O-N 3.34Å; Y1000-L1004 HydrophobicContact CD1-CD1 4.02Å; Y1000-L1004 HydrophobicContact CE1-CD1 3.43Å; Y1000-L1004 VanDerWaalsContact CE1-CD1 3.43Å; Y1000-L1004 HydrophobicContact CE1-CG 4.27Å; Y1000-L1004 HydrophobicContact CE2-CD1 4.26Å; Y1000-L1004 HydrophobicContact CE2-CD2 4.48Å; Y1000-L1004 HydrophobicContact CE2-CG 4.27Å; Y1000-L1004 PolarHBondContact O-N 3.22Å; Y1000-H1014 AromaticContact CE1-CE1 3.78Å
1001I90.5Very high88.4Confident11 Ų1165.2 Ų65.26%0.05635%0.345CS..Hα-helixtrans-64-41.1178.1-70.1172.4000110.8Y997 E998 E1003 L1004 Q1005 T1011 H1014 L1018Y997-I1001 HydrophobicContact CD1-CD1 3.61Å; Y997-I1001 HydrophobicContact CD1-CG1 4.21Å; Y997-I1001 HydrophobicContact CE1-CD1 3.59Å; Y997-I1001 HydrophobicContact CE1-CG1 4.15Å; Y997-I1001 WeakPolarHBondContact O-CG1 3.05Å; Y997-I1001 PolarHBondContact O-N 2.89Å; E998-I1001 PolarHBondContact O-N 3.42Å; I1001-E1003 VanDerWaalsContact C-N 3.3Å; I1001-E1003 PolarHBondContact O-N 2.98Å; I1001-L1004 WeakPolarHBondContact O-CB 3.25Å; I1001-L1004 PolarHBondContact O-N 3.4Å; I1001-Q1005 HydrophobicContact CG2-CG 4.38Å; I1001-Q1005 WeakPolarHBondContact O-CG 3.27Å; I1001-Q1005 PolarHBondContact O-N 2.85Å; I1001-T1011 HydrophobicContact CG2-CG2 4.06Å; I1001-H1014 HydrophobicContact CD1-CB 4.08Å; I1001-H1014 HydrophobicContact CG1-CB 4.19Å; I1001-L1018 HydrophobicContact CD1-CB 4.12Å; I1001-L1018 HydrophobicContact CD1-CD1 4.2Å; I1001-L1018 HydrophobicContact CD1-CD2 3.81Å; I1001-L1018 HydrophobicContact CD1-CG 4.26Å
1002T89.9Confident87.7Confident71 Ų7163.2 Ų63.244%0.43633%0.331SS..Hα-helixtrans-58.9-43176.1-55.40000111.3E998 Y1000 L1004 Q1005 D1006E998-T1002 PolarHBondContact O-N 3.5Å; E998-T1002 PolarHBondContact O-OG1 3.27Å; Y1000-T1002 VanDerWaalsContact C-N 3.34Å; Y1000-T1002 PolarHBondContact O-N 3.5Å; T1002-L1004 PolarHBondContact O-N 2.81Å; T1002-Q1005 PolarHBondContact O-N 3.23Å; T1002-D1006 PolarHBondContact O-N 3.38Å
1003E88.6Confident87.1Confident95 Ų9568.3 Ų68.344%0.44436%0.357SS..Hα-helixtrans-64.3-37.6175.9-74178.4156.100113.1K977 A999 Y1000 I1001 G1007K977-E1003 WeakPolarHBondContact CD-OE2 3.43Å; K977-E1003 VanDerWaalsContact CE-OE1 3.31Å; K977-E1003 WeakPolarHBondContact CE-OE1 3.46Å; K977-E1003 VanDerWaalsContact CE-OE2 3.28Å; K977-E1003 WeakPolarHBondContact CE-OE2 3.08Å; K977-E1003 IonicContact NZ-OE1 2.91Å; K977-E1003 PolarHBondContact NZ-OE1 2.9Å; K977-E1003 IonicContact NZ-OE2 3.05Å; K977-E1003 PolarHBondContact NZ-OE2 3.48Å; K977-E1003 VanDerWaalsContact NZ-OE2 3.15Å; A999-E1003 WeakPolarHBondContact O-CG 3.46Å; A999-E1003 PolarHBondContact O-N 3.14Å; A999-E1003 VanDerWaalsContact O-N 3.17Å; Y1000-E1003 PolarHBondContact O-N 3.34Å; I1001-E1003 VanDerWaalsContact C-N 3.3Å; I1001-E1003 PolarHBondContact O-N 2.98Å; E1003-G1007 PolarHBondContact O-N 3.23Å
1004L87.9Confident86.6Confident37 Ų3769.5 Ų69.519%0.19436%0.363CS..Hα-helixtrans-65.1-40.2173.9-73.2177.7000112.2Y1000 I1001 T1002 G1007 R1008 A1009 T1011 H1014Y1000-L1004 HydrophobicContact CD1-CD1 4.02Å; Y1000-L1004 HydrophobicContact CE1-CD1 3.43Å; Y1000-L1004 VanDerWaalsContact CE1-CD1 3.43Å; Y1000-L1004 HydrophobicContact CE1-CG 4.27Å; Y1000-L1004 HydrophobicContact CE2-CD1 4.26Å; Y1000-L1004 HydrophobicContact CE2-CD2 4.48Å; Y1000-L1004 HydrophobicContact CE2-CG 4.27Å; Y1000-L1004 PolarHBondContact O-N 3.22Å; I1001-L1004 WeakPolarHBondContact O-CB 3.25Å; I1001-L1004 PolarHBondContact O-N 3.4Å; T1002-L1004 PolarHBondContact O-N 2.81Å; L1004-G1007 CarbonylContact O-C 3.49Å; L1004-G1007 WeakPolarHBondContact O-CA 3.27Å; L1004-G1007 PolarHBondContact O-N 3.06Å; L1004-R1008 PolarHBondContact O-N 3.42Å; L1004-A1009 HydrophobicContact CB-CB 4.21Å; L1004-A1009 HydrophobicContact CD2-CB 4.09Å; L1004-A1009 WeakPolarHBondContact O-CB 3.45Å; L1004-A1009 PolarHBondContact O-N 3.36Å; L1004-T1011 HydrophobicContact CB-CG2 4.47Å; L1004-H1014 WeakPolarHBondContact CD1-NE2 3.35Å
1005Q82.6Confident86.1Confident106 Ų10670.3 Ų70.350%0.49536%0.364SS..Hα-helixtrans-64.2-44.4176.8-72.2-179.3-16.800111.7I1001 T1002 G1007 R1008 T1011I1001-Q1005 HydrophobicContact CG2-CG 4.38Å; I1001-Q1005 WeakPolarHBondContact O-CG 3.27Å; I1001-Q1005 PolarHBondContact O-N 2.85Å; T1002-Q1005 PolarHBondContact O-N 3.23Å; Q1005-G1007 PolarHBondContact O-N 2.9Å; Q1005-R1008 PolarHBondContact O-N 3.07Å; Q1005-T1011 HydrophobicContact CG-CG2 3.44Å; Q1005-T1011 VanDerWaalsContact CG-CG2 3.44Å
1006D82.6Confident85.7Confident131 Ų13168.1 Ų68.170%0.70135%0.348SS*.Hα-helixtrans-60.2-35.2174.4-72.5-21.7000111.3T1002 R1008T1002-D1006 PolarHBondContact O-N 3.38Å; D1006-R1008 PolarHBondContact O-N 3.33Å
1007G81.8Confident85.4Confident59 Ų5969 Ų6961%0.60835%0.351SS*.THydrogen-bonded Turntrans-73.5-2.9172.700000115.8E1003 L1004 Q1005 A1009E1003-G1007 PolarHBondContact O-N 3.23Å; L1004-G1007 CarbonylContact O-C 3.49Å; L1004-G1007 WeakPolarHBondContact O-CA 3.27Å; L1004-G1007 PolarHBondContact O-N 3.06Å; Q1005-G1007 PolarHBondContact O-N 2.9Å; G1007-A1009 PolarHBondContact O-N 3.28Å
1008R76.2Confident85.2Confident236 Ų23668.8 Ų68.889%0.89135%0.352SS*.THydrogen-bonded Turntrans59.127.1-173-52.6-178.5179.6-176.7-0.7114.3L1004 Q1005 D1006L1004-R1008 PolarHBondContact O-N 3.42Å; Q1005-R1008 PolarHBondContact O-N 3.07Å; D1006-R1008 PolarHBondContact O-N 3.33Å
1009A77.5Confident84.9Confident47 Ų4765.4 Ų65.439%0.38834%0.336SS..  trans-76153.7171.400000110.7L1004 G1007 T1011L1004-A1009 HydrophobicContact CB-CB 4.21Å; L1004-A1009 HydrophobicContact CD2-CB 4.09Å; L1004-A1009 WeakPolarHBondContact O-CB 3.45Å; L1004-A1009 PolarHBondContact O-N 3.36Å; G1007-A1009 PolarHBondContact O-N 3.28Å; A1009-T1011 PolarHBondContact O-N 3.16Å
1010D77.2Confident84.8Confident106 Ų10667 Ų6757%0.56734%0.336SS*.  trans-70.2125.5172.7-172.6-4.4000109.5D1012D1010-D1012 VanDerWaalsContact OD1-CB 3.25Å; D1010-D1012 WeakPolarHBondContact OD1-CB 3.29Å; D1010-D1012 PolarHBondContact OD1-N 2.85Å
1011T80.1Confident84.7Confident13 Ų1364.7 Ų64.78%0.0833%0.327CS..  trans-97.9-5.4-179.260.60000113.6I1001 L1004 Q1005 A1009 E1013 H1014 W1015I1001-T1011 HydrophobicContact CG2-CG2 4.06Å; L1004-T1011 HydrophobicContact CB-CG2 4.47Å; Q1005-T1011 HydrophobicContact CG-CG2 3.44Å; Q1005-T1011 VanDerWaalsContact CG-CG2 3.44Å; A1009-T1011 PolarHBondContact O-N 3.16Å; T1011-E1013 PolarHBondContact O-N 2.93Å; T1011-H1014 WeakPolarHBondContact O-CB 3.37Å; T1011-H1014 PolarHBondContact O-N 3.5Å; T1011-W1015 PolarHBondContact O-N 3.35Å; T1011-W1015 PolarHBondContact O-NE1 3Å; T1011-W1015 PolarHBondContact OG1-NE1 2.91Å
1012D78.5Confident84.8Confident48 Ų4866 Ų6626%0.25733%0.332SS..THydrogen-bonded Turntrans-60.9-35.4-168.6-67.64.6000111.7D1010 H1014 W1015 R1038 V1041D1010-D1012 VanDerWaalsContact OD1-CB 3.25Å; D1010-D1012 WeakPolarHBondContact OD1-CB 3.29Å; D1010-D1012 PolarHBondContact OD1-N 2.85Å; D1012-H1014 VanDerWaalsContact C-N 3.29Å; D1012-H1014 PolarHBondContact O-N 3.03Å; D1012-W1015 HydrophobicContact CB-CZ3 4.47Å; D1012-W1015 PolarHBondContact O-N 3.34Å; D1012-W1015 WeakPolarHBondContact OD1-CH2 3.44Å; D1012-W1015 WeakPolarHBondContact OD1-CZ2 3.39Å; D1012-R1038 PolarHBondContact O-NH2 3.14Å; D1012-V1041 VanDerWaalsContact OD2-CG1 3.27Å; D1012-V1041 WeakPolarHBondContact OD2-CG1 3.42Å
1013E80.9Confident84.7Confident153 Ų15363.1 Ų63.172%0.71532%0.316SS*.THydrogen-bonded Turntrans-64-31.6177.365.1177.9176.300113.3T1011T1011-E1013 PolarHBondContact O-N 2.93Å
1014H85.9Confident84.7Confident25 Ų2564 Ų6412%0.11632%0.317CS..THydrogen-bonded Turntrans-82.3-21.2-176.7-64.2-65.3000113.6Y997 Y1000 I1001 L1004 T1011 D1012 F1016 Y1017 L1018Y997-H1014 HydrophobicContact CE1-CB 4.13Å; Y997-H1014 AromaticContact CZ-ND1 3.87Å; Y997-H1014 PolarHBondContact OH-ND1 2.94Å; Y1000-H1014 AromaticContact CE1-CE1 3.78Å; I1001-H1014 HydrophobicContact CD1-CB 4.08Å; I1001-H1014 HydrophobicContact CG1-CB 4.19Å; L1004-H1014 WeakPolarHBondContact CD1-NE2 3.35Å; T1011-H1014 WeakPolarHBondContact O-CB 3.37Å; T1011-H1014 PolarHBondContact O-N 3.5Å; D1012-H1014 VanDerWaalsContact C-N 3.29Å; D1012-H1014 PolarHBondContact O-N 3.03Å; H1014-F1016 PolarHBondContact O-N 3.06Å; H1014-F1016 VanDerWaalsContact O-N 3.09Å; H1014-Y1017 PolarHBondContact O-N 3.33Å; H1014-Y1017 VanDerWaalsContact O-N 3.11Å; H1014-L1018 PolarHBondContact O-N 3.42Å
1015W85.3Confident84.8Confident34 Ų3464.3 Ų64.313%0.12932%0.32CS..Hα-helixtrans-60.9-26.9-172.7-58.9-13.5000113.9T1011 D1012 Q1019 L1034 L1037 R1038 V1041T1011-W1015 PolarHBondContact O-N 3.35Å; T1011-W1015 PolarHBondContact O-NE1 3Å; T1011-W1015 PolarHBondContact OG1-NE1 2.91Å; D1012-W1015 HydrophobicContact CB-CZ3 4.47Å; D1012-W1015 PolarHBondContact O-N 3.34Å; D1012-W1015 WeakPolarHBondContact OD1-CH2 3.44Å; D1012-W1015 WeakPolarHBondContact OD1-CZ2 3.39Å; W1015-Q1019 VanDerWaalsContact O-CB 3.28Å; W1015-Q1019 WeakPolarHBondContact O-CB 3.36Å; W1015-Q1019 PolarHBondContact O-N 2.74Å; W1015-L1034 HydrophobicContact CB-CD2 4.25Å; W1015-L1034 HydrophobicContact CG-CD2 4.41Å; W1015-L1037 HydrophobicContact CZ3-CB 4.31Å; W1015-R1038 VanDerWaalsContact CB-NE 3.34Å; W1015-R1038 HydrophobicContact CE3-CG 3.63Å; W1015-R1038 HydrophobicContact CZ3-CG 4.25Å; W1015-V1041 HydrophobicContact CH2-CG2 3.7Å; W1015-V1041 HydrophobicContact CZ3-CB 4.24Å; W1015-V1041 HydrophobicContact CZ3-CG2 3.6Å
1016F84.9Confident85Confident38 Ų3867.1 Ų67.117%0.16733%0.333CS..Hα-helixtrans-75.2-40.6179.4178.9-138.9000110.7H1014 L1018 Q1019 K1020 R1038 Q1047 Q1048 L1051H1014-F1016 PolarHBondContact O-N 3.06Å; H1014-F1016 VanDerWaalsContact O-N 3.09Å; F1016-L1018 VanDerWaalsContact C-N 3.32Å; F1016-Q1019 WeakPolarHBondContact O-CB 3.45Å; F1016-Q1019 PolarHBondContact O-N 3.39Å; F1016-K1020 HydrophobicContact CD2-CG 4.5Å; F1016-K1020 HydrophobicContact CE1-CD 4.47Å; F1016-K1020 HydrophobicContact CE2-CG 4.25Å; F1016-K1020 HydrophobicContact CZ-CD 4.4Å; F1016-K1020 WeakPolarHBondContact O-CG 3.49Å; F1016-K1020 PolarHBondContact O-N 3.28Å; F1016-R1038 VanDerWaalsContact N-CZ 3.3Å; F1016-Q1047 HydrophobicContact CZ-CB 4.26Å; F1016-Q1048 HydrophobicContact CD2-CG 3.29Å; F1016-Q1048 HydrophobicContact CE2-CB 4.31Å; F1016-Q1048 HydrophobicContact CE2-CG 3.21Å; F1016-Q1048 HydrophobicContact CG-CG 4.15Å; F1016-Q1048 HydrophobicContact CZ-CG 4Å; F1016-L1051 HydrophobicContact CE2-CD2 4.46Å
1017Y88.8Confident85.3Confident65 Ų6565.7 Ų65.726%0.25532%0.322SS..Hα-helixtrans-65.9-41.1174.8-169.6-98.2000110.4V985 Y997 H1014 Q1019 K1020 L1021V985-Y1017 WeakPolarHBondContact CG2-OH 3.45Å; Y997-Y1017 AromaticContact CD1-CD1 3.89Å; Y997-Y1017 HydrophobicContact CD1-CD1 3.89Å; Y997-Y1017 HydrophobicContact CD1-CE1 4.48Å; Y997-Y1017 AromaticContact CD2-CD1 3.86Å; Y997-Y1017 HydrophobicContact CD2-CD1 3.86Å; Y997-Y1017 AromaticContact CD2-CE1 3.81Å; Y997-Y1017 HydrophobicContact CD2-CE1 3.81Å; Y997-Y1017 AromaticContact CE1-CD1 3.49Å; Y997-Y1017 HydrophobicContact CE1-CD1 3.49Å; Y997-Y1017 VanDerWaalsContact CE1-CD1 3.49Å; Y997-Y1017 HydrophobicContact CE1-CE1 4.39Å; Y997-Y1017 HydrophobicContact CE1-CG 4.28Å; Y997-Y1017 AromaticContact CE2-CD1 3.47Å; Y997-Y1017 HydrophobicContact CE2-CD1 3.47Å; Y997-Y1017 VanDerWaalsContact CE2-CD1 3.47Å; Y997-Y1017 AromaticContact CE2-CE1 3.71Å; Y997-Y1017 HydrophobicContact CE2-CE1 3.71Å; Y997-Y1017 HydrophobicContact CE2-CG 4.46Å; Y997-Y1017 HydrophobicContact CG-CD1 4.05Å; Y997-Y1017 HydrophobicContact CG-CE1 4.2Å; Y997-Y1017 AromaticContact CZ-CD1 3.26Å; Y997-Y1017 AromaticContact CZ-CG 3.99Å; H1014-Y1017 PolarHBondContact O-N 3.33Å; H1014-Y1017 VanDerWaalsContact O-N 3.11Å; Y1017-Q1019 VanDerWaalsContact C-N 3.34Å; Y1017-Q1019 PolarHBondContact O-N 2.91Å; Y1017-K1020 WeakPolarHBondContact O-CB 3.43Å; Y1017-K1020 PolarHBondContact O-N 3.37Å; Y1017-K1020 VanDerWaalsContact O-N 3.15Å; Y1017-L1021 HydrophobicContact CD1-CD1 3.92Å; Y1017-L1021 HydrophobicContact CD1-CG 4.15Å; Y1017-L1021 HydrophobicContact CE1-CD1 3.74Å; Y1017-L1021 HydrophobicContact CE1-CD2 4.2Å; Y1017-L1021 HydrophobicContact CE1-CG 4.01Å; Y1017-L1021 WeakPolarHBondContact O-CG 3.37Å; Y1017-L1021 PolarHBondContact O-N 3.38Å
1018L90.3Very high85.5Confident14 Ų1465.7 Ų65.77%0.07331%0.313CS..Hα-helixtrans-61.2-41.9172.7-172.767.2000111.9L994 Y997 E998 I1001 H1014 F1016 K1020 L1021 Y1022 L1034L994-L1018 HydrophobicContact CD1-CD1 3.73Å; Y997-L1018 HydrophobicContact CD1-CB 4.22Å; Y997-L1018 HydrophobicContact CD1-CD1 4.03Å; Y997-L1018 HydrophobicContact CE1-CB 4.22Å; E998-L1018 HydrophobicContact CG-CD1 4.18Å; I1001-L1018 HydrophobicContact CD1-CB 4.12Å; I1001-L1018 HydrophobicContact CD1-CD1 4.2Å; I1001-L1018 HydrophobicContact CD1-CD2 3.81Å; I1001-L1018 HydrophobicContact CD1-CG 4.26Å; H1014-L1018 PolarHBondContact O-N 3.42Å; F1016-L1018 VanDerWaalsContact C-N 3.32Å; L1018-K1020 VanDerWaalsContact C-N 3.3Å; L1018-K1020 PolarHBondContact O-N 3.13Å; L1018-L1021 PolarHBondContact O-N 3.14Å; L1018-L1021 VanDerWaalsContact O-N 3.15Å; L1018-Y1022 HydrophobicContact CD1-CD2 4.32Å; L1018-Y1022 HydrophobicContact CD1-CE2 3.79Å; L1018-Y1022 HydrophobicContact CD2-CE2 3.82Å; L1018-Y1022 HydrophobicContact CG-CD2 3.91Å; L1018-Y1022 HydrophobicContact CG-CE2 3.5Å; L1018-Y1022 VanDerWaalsContact CG-CE2 3.5Å; L1018-Y1022 VanDerWaalsContact O-CD2 3.3Å; L1018-Y1022 WeakPolarHBondContact O-CD2 3.34Å; L1018-Y1022 PolarHBondContact O-N 3.32Å; L1018-L1034 HydrophobicContact CB-CD1 4.22Å; L1018-L1034 HydrophobicContact CD2-CD1 4.05Å; L1018-L1034 HydrophobicContact CD2-CD2 4.15Å; L1018-L1034 HydrophobicContact CG-CD1 3.97Å
1019Q88.3Confident86.1Confident0 Ų060.5 Ų60.50%030%0.302CS..Hα-helixtrans-58.8-41.7173.8-168.2-169.38.200111.4W1015 F1016 Y1017 G1023 V1031 L1034 Q1048 L1051W1015-Q1019 VanDerWaalsContact O-CB 3.28Å; W1015-Q1019 WeakPolarHBondContact O-CB 3.36Å; W1015-Q1019 PolarHBondContact O-N 2.74Å; F1016-Q1019 WeakPolarHBondContact O-CB 3.45Å; F1016-Q1019 PolarHBondContact O-N 3.39Å; Y1017-Q1019 VanDerWaalsContact C-N 3.34Å; Y1017-Q1019 PolarHBondContact O-N 2.91Å; Q1019-G1023 PolarHBondContact O-N 2.98Å; Q1019-V1031 HydrophobicContact CG-CB 4.5Å; Q1019-V1031 HydrophobicContact CG-CG1 3.84Å; Q1019-L1034 HydrophobicContact CB-CB 4.45Å; Q1019-L1034 HydrophobicContact CB-CD1 3.96Å; Q1019-L1034 HydrophobicContact CG-CB 4.49Å; Q1019-Q1048 PolarHBondContact NE2-O 3.12Å; Q1019-L1051 HydrophobicContact CB-CD2 4.32Å; Q1019-L1051 HydrophobicContact CG-CD2 3.83Å
1020K89.8Confident86.6Confident68 Ų6859.6 Ų59.630%0.29630%0.295SS..Hα-helixtrans-61.5-45173.9-73.4-179.9179.6-177.40111.9F1016 Y1017 L1018 G1023 Y1024 L1051F1016-K1020 HydrophobicContact CD2-CG 4.5Å; F1016-K1020 HydrophobicContact CE1-CD 4.47Å; F1016-K1020 HydrophobicContact CE2-CG 4.25Å; F1016-K1020 HydrophobicContact CZ-CD 4.4Å; F1016-K1020 WeakPolarHBondContact O-CG 3.49Å; F1016-K1020 PolarHBondContact O-N 3.28Å; Y1017-K1020 WeakPolarHBondContact O-CB 3.43Å; Y1017-K1020 PolarHBondContact O-N 3.37Å; Y1017-K1020 VanDerWaalsContact O-N 3.15Å; L1018-K1020 VanDerWaalsContact C-N 3.3Å; L1018-K1020 PolarHBondContact O-N 3.13Å; K1020-G1023 PolarHBondContact O-N 3.31Å; K1020-Y1024 HydrophobicContact CB-CE2 4.32Å; K1020-Y1024 VanDerWaalsContact O-CD2 3.25Å; K1020-Y1024 WeakPolarHBondContact O-CD2 3.45Å; K1020-Y1024 PolarHBondContact O-N 3.27Å; K1020-L1051 HydrophobicContact CB-CD2 4.38Å; K1020-L1051 HydrophobicContact CG-CD2 3.84Å
1021L91.6Very high87.2Confident1 Ų154.6 Ų54.61%0.00527%0.268CS..Hα-helixtrans-62.1-47.5178.9-67.7-180000111.9V985 A993 L994 Y997 Y1017 L1018 G1023 Y1024 V1025V985-L1021 HydrophobicContact CG2-CD2 3.55Å; A993-L1021 HydrophobicContact CB-CD2 3.89Å; L994-L1021 HydrophobicContact CD1-CB 4.06Å; Y997-L1021 HydrophobicContact CD1-CD1 3.95Å; Y997-L1021 HydrophobicContact CG-CD1 3.78Å; Y1017-L1021 HydrophobicContact CD1-CD1 3.92Å; Y1017-L1021 HydrophobicContact CD1-CG 4.15Å; Y1017-L1021 HydrophobicContact CE1-CD1 3.74Å; Y1017-L1021 HydrophobicContact CE1-CD2 4.2Å; Y1017-L1021 HydrophobicContact CE1-CG 4.01Å; Y1017-L1021 WeakPolarHBondContact O-CG 3.37Å; Y1017-L1021 PolarHBondContact O-N 3.38Å; L1018-L1021 PolarHBondContact O-N 3.14Å; L1018-L1021 VanDerWaalsContact O-N 3.15Å; L1021-G1023 VanDerWaalsContact C-N 3.26Å; L1021-G1023 PolarHBondContact O-N 2.86Å; L1021-Y1024 HydrophobicContact CD2-CD2 4.29Å; L1021-Y1024 PolarHBondContact O-N 2.88Å; L1021-Y1024 VanDerWaalsContact O-N 3.12Å; L1021-V1025 WeakPolarHBondContact O-CG2 3.46Å; L1021-V1025 PolarHBondContact O-N 3.07Å; L1021-V1025 VanDerWaalsContact O-N 3.12Å
1022Y93Very high87.4Confident39 Ų3959.7 Ų59.715%0.15329%0.289CS..Hα-helixtrans-60.7-37.9173.6-73.4-57.3000112.2L994 E998 L1018 Y1024 V1025 E1026 E1027 A1030 L1034L994-Y1022 HydrophobicContact CD1-CD1 3.86Å; L994-Y1022 HydrophobicContact CD1-CE1 3.59Å; L994-Y1022 HydrophobicContact CD1-CE2 4.41Å; L994-Y1022 HydrophobicContact CD1-CG 4.34Å; L994-Y1022 HydrophobicContact CD2-CD1 3.77Å; L994-Y1022 HydrophobicContact CD2-CE1 3.66Å; L994-Y1022 HydrophobicContact CG-CD1 4.48Å; L994-Y1022 HydrophobicContact CG-CE1 4.17Å; E998-Y1022 PolarHBondContact OE1-OH 2.65Å; L1018-Y1022 HydrophobicContact CD1-CD2 4.32Å; L1018-Y1022 HydrophobicContact CD1-CE2 3.79Å; L1018-Y1022 HydrophobicContact CD2-CE2 3.82Å; L1018-Y1022 HydrophobicContact CG-CD2 3.91Å; L1018-Y1022 HydrophobicContact CG-CE2 3.5Å; L1018-Y1022 VanDerWaalsContact CG-CE2 3.5Å; L1018-Y1022 VanDerWaalsContact O-CD2 3.3Å; L1018-Y1022 WeakPolarHBondContact O-CD2 3.34Å; L1018-Y1022 PolarHBondContact O-N 3.32Å; Y1022-Y1024 VanDerWaalsContact C-N 3.34Å; Y1022-Y1024 PolarHBondContact O-N 2.92Å; Y1022-V1025 CarbonylContact O-C 3.56Å; Y1022-V1025 PolarHBondContact O-N 3.39Å; Y1022-E1026 PolarHBondContact O-N 3.42Å; Y1022-E1027 HydrophobicContact CD1-CB 4.07Å; Y1022-E1027 PolarHBondContact O-N 3.38Å; Y1022-A1030 HydrophobicContact CD1-CB 3.57Å; Y1022-A1030 HydrophobicContact CD2-CB 3.68Å; Y1022-A1030 HydrophobicContact CE1-CB 3.79Å; Y1022-A1030 HydrophobicContact CE2-CB 3.85Å; Y1022-A1030 HydrophobicContact CG-CB 3.53Å; Y1022-L1034 HydrophobicContact CD2-CD1 3.57Å; Y1022-L1034 HydrophobicContact CE2-CD1 3.81Å
1023G87.9Confident87.8Confident11 Ų1159 Ų5911%0.11329%0.293CS..Hα-helixtrans-60.8-40.1173.600000113.2Q1019 K1020 L1021 V1025 E1026Q1019-G1023 PolarHBondContact O-N 2.98Å; K1020-G1023 PolarHBondContact O-N 3.31Å; L1021-G1023 VanDerWaalsContact C-N 3.26Å; L1021-G1023 PolarHBondContact O-N 2.86Å; G1023-V1025 VanDerWaalsContact C-N 3.31Å; G1023-V1025 PolarHBondContact O-N 2.74Å; G1023-E1026 PolarHBondContact O-N 3.26Å
1024Y88.8Confident88.1Confident114 Ų11452.4 Ų52.445%0.44726%0.263SS..Hα-helixtrans-68.6-26.5175.2-64.9-44.8000114Y990 K1020 L1021 Y1022 E1026Y990-Y1024 AromaticContact CD1-CD2 3.65Å; Y990-Y1024 HydrophobicContact CD1-CD2 3.65Å; Y990-Y1024 HydrophobicContact CD1-CE2 4.46Å; Y990-Y1024 AromaticContact CD1-CG 3.76Å; Y990-Y1024 HydrophobicContact CD1-CG 3.76Å; Y990-Y1024 HydrophobicContact CE1-CD1 4.33Å; Y990-Y1024 AromaticContact CE1-CD2 3.81Å; Y990-Y1024 HydrophobicContact CE1-CD2 3.81Å; Y990-Y1024 HydrophobicContact CE1-CE2 4.28Å; Y990-Y1024 AromaticContact CE1-CG 3.85Å; Y990-Y1024 HydrophobicContact CE1-CG 3.85Å; Y990-Y1024 HydrophobicContact CG-CD2 4.44Å; Y990-Y1024 HydrophobicContact CG-CG 4.21Å; K1020-Y1024 HydrophobicContact CB-CE2 4.32Å; K1020-Y1024 VanDerWaalsContact O-CD2 3.25Å; K1020-Y1024 WeakPolarHBondContact O-CD2 3.45Å; K1020-Y1024 PolarHBondContact O-N 3.27Å; L1021-Y1024 HydrophobicContact CD2-CD2 4.29Å; L1021-Y1024 PolarHBondContact O-N 2.88Å; L1021-Y1024 VanDerWaalsContact O-N 3.12Å; Y1022-Y1024 VanDerWaalsContact C-N 3.34Å; Y1022-Y1024 PolarHBondContact O-N 2.92Å; Y1024-E1026 VanDerWaalsContact C-N 3.31Å
1025V89.5Confident88Confident42 Ų4251.4 Ų51.426%0.25526%0.258SS..THydrogen-bonded Turntrans-88.7-2175-173.80000111.6L994 L1021 Y1022 G1023 E1027L994-V1025 HydrophobicContact CD2-CG2 4.26Å; L1021-V1025 WeakPolarHBondContact O-CG2 3.46Å; L1021-V1025 PolarHBondContact O-N 3.07Å; L1021-V1025 VanDerWaalsContact O-N 3.12Å; Y1022-V1025 CarbonylContact O-C 3.56Å; Y1022-V1025 PolarHBondContact O-N 3.39Å; G1023-V1025 VanDerWaalsContact C-N 3.31Å; G1023-V1025 PolarHBondContact O-N 2.74Å; V1025-E1027 VanDerWaalsContact C-N 3.28Å; V1025-E1027 HydrophobicContact CB-CG 4.38Å; V1025-E1027 HydrophobicContact CG1-CG 4.04Å; V1025-E1027 PolarHBondContact O-N 3.26Å
1026E86.2Confident87.9Confident166 Ų16652.7 Ų52.778%0.77627%0.27SS*.THydrogen-bonded Turntrans64.225.7-178.4-53.5-177.3162.500114.2Y1022 G1023 Y1024 S1028Y1022-E1026 PolarHBondContact O-N 3.42Å; G1023-E1026 PolarHBondContact O-N 3.26Å; Y1024-E1026 VanDerWaalsContact C-N 3.31Å; E1026-S1028 PolarHBondContact O-N 3.25Å
1027E88.8Confident87.8Confident101 Ų10155.2 Ų55.247%0.47229%0.285SS..  trans-82.880.6178.3-73.5-64155.100111.6Y1022 V1025 D1029 A1030 V1031Y1022-E1027 HydrophobicContact CD1-CB 4.07Å; Y1022-E1027 PolarHBondContact O-N 3.38Å; V1025-E1027 VanDerWaalsContact C-N 3.28Å; V1025-E1027 HydrophobicContact CB-CG 4.38Å; V1025-E1027 HydrophobicContact CG1-CG 4.04Å; V1025-E1027 PolarHBondContact O-N 3.26Å; E1027-D1029 VanDerWaalsContact C-N 3.32Å; E1027-D1029 PolarHBondContact O-N 3.41Å; E1027-A1030 HydrophobicContact CB-CB 4.28Å; E1027-A1030 PolarHBondContact O-N 3.04Å; E1027-V1031 WeakPolarHBondContact O-CG2 3.47Å; E1027-V1031 PolarHBondContact O-N 3.01Å
1028S86.1Confident87.3Confident59 Ų5953.9 Ų53.941%0.41328%0.279SS..Hα-helixtrans-58.8-35.5-173.460.20000114.6E1026 K1032E1026-S1028 PolarHBondContact O-N 3.25Å; S1028-K1032 WeakPolarHBondContact O-CB 3.34Å; S1028-K1032 PolarHBondContact O-N 2.87Å; S1028-K1032 VanDerWaalsContact O-N 3.1Å
1029D88.9Confident86.8Confident126 Ų12659.3 Ų59.367%0.67430%0.299SS*.Hα-helixtrans-68.6-43.9-179.2-165.930.6000111.7E1027 V1031 K1032 G1033E1027-D1029 VanDerWaalsContact C-N 3.32Å; E1027-D1029 PolarHBondContact O-N 3.41Å; D1029-V1031 PolarHBondContact O-N 2.99Å; D1029-K1032 WeakPolarHBondContact O-CB 3.17Å; D1029-K1032 PolarHBondContact O-N 2.73Å; D1029-K1032 VanDerWaalsContact O-N 3.14Å; D1029-G1033 PolarHBondContact O-N 2.96Å
1030A88.4Confident86.1Confident29 Ų2966.7 Ų66.724%0.2433%0.333CS..Hα-helixtrans-63.5-40.817800000112Y1022 E1027 K1032 G1033 L1034Y1022-A1030 HydrophobicContact CD1-CB 3.57Å; Y1022-A1030 HydrophobicContact CD2-CB 3.68Å; Y1022-A1030 HydrophobicContact CE1-CB 3.79Å; Y1022-A1030 HydrophobicContact CE2-CB 3.85Å; Y1022-A1030 HydrophobicContact CG-CB 3.53Å; E1027-A1030 HydrophobicContact CB-CB 4.28Å; E1027-A1030 PolarHBondContact O-N 3.04Å; A1030-K1032 VanDerWaalsContact C-N 3.3Å; A1030-K1032 PolarHBondContact O-N 3.25Å; A1030-G1033 PolarHBondContact O-N 3.27Å; A1030-L1034 WeakPolarHBondContact O-CG 3.39Å; A1030-L1034 PolarHBondContact O-N 3.47Å
1031V88.4Confident85.4Confident0 Ų067.7 Ų67.70%035%0.345CS..Hα-helixtrans-60.8-40.8174.41760000111.2Q1019 E1027 D1029 L1034 L1035 A1052 T1055 Y1056Q1019-V1031 HydrophobicContact CG-CB 4.5Å; Q1019-V1031 HydrophobicContact CG-CG1 3.84Å; E1027-V1031 WeakPolarHBondContact O-CG2 3.47Å; E1027-V1031 PolarHBondContact O-N 3.01Å; D1029-V1031 PolarHBondContact O-N 2.99Å; V1031-L1034 PolarHBondContact O-N 3.49Å; V1031-L1035 WeakPolarHBondContact O-CB 3.27Å; V1031-L1035 PolarHBondContact O-N 3.08Å; V1031-A1052 HydrophobicContact CG1-CB 4.08Å; V1031-T1055 WeakPolarHBondContact CG1-OG1 3.28Å; V1031-T1055 HydrophobicContact CG2-CG2 4.4Å; V1031-Y1056 HydrophobicContact CG1-CE1 4.42Å
1032K85.7Confident84.6Confident120 Ų12069.6 Ų69.652%0.52237%0.365SS..Hα-helixtrans-66.8-41.6177-170.5178.9177.3-1760112.9S1028 D1029 A1030 L1035 T1036 Y1056S1028-K1032 WeakPolarHBondContact O-CB 3.34Å; S1028-K1032 PolarHBondContact O-N 2.87Å; S1028-K1032 VanDerWaalsContact O-N 3.1Å; D1029-K1032 WeakPolarHBondContact O-CB 3.17Å; D1029-K1032 PolarHBondContact O-N 2.73Å; D1029-K1032 VanDerWaalsContact O-N 3.14Å; A1030-K1032 VanDerWaalsContact C-N 3.3Å; A1030-K1032 PolarHBondContact O-N 3.25Å; K1032-L1035 PolarHBondContact O-N 2.92Å; K1032-T1036 WeakPolarHBondContact O-CB 3.39Å; K1032-T1036 PolarHBondContact O-N 3.41Å; K1032-T1036 PolarHBondContact O-OG1 3.47Å; K1032-Y1056 WeakPolarHBondContact CA-OH 3.26Å; K1032-Y1056 HydrophobicContact CB-CE1 3.77Å; K1032-Y1056 WeakPolarHBondContact CB-OH 3.48Å; K1032-Y1056 HydrophobicContact CG-CE1 4.37Å
1033G87Confident83.8Confident33 Ų3376.5 Ų76.534%0.3440%0.399SS..Hα-helixtrans-56.9-50.9173.400000111.7D1029 A1030 L1035 T1036 L1037D1029-G1033 PolarHBondContact O-N 2.96Å; A1030-G1033 PolarHBondContact O-N 3.27Å; G1033-L1035 PolarHBondContact O-N 3.12Å; G1033-T1036 WeakPolarHBondContact O-CB 3.43Å; G1033-T1036 PolarHBondContact O-N 3.27Å; G1033-T1036 VanDerWaalsContact O-N 3.15Å; G1033-L1037 WeakPolarHBondContact O-CG 3.47Å; G1033-L1037 PolarHBondContact O-N 3.03Å
1034L85.7Confident83.5Confident15 Ų1576.5 Ų76.58%0.07940%0.397CS..Hα-helixtrans-65.5-38.4-179.7-71.6172.3000113.5W1015 L1018 Q1019 Y1022 A1030 V1031 T1036 L1037 R1038W1015-L1034 HydrophobicContact CB-CD2 4.25Å; W1015-L1034 HydrophobicContact CG-CD2 4.41Å; L1018-L1034 HydrophobicContact CB-CD1 4.22Å; L1018-L1034 HydrophobicContact CD2-CD1 4.05Å; L1018-L1034 HydrophobicContact CD2-CD2 4.15Å; L1018-L1034 HydrophobicContact CG-CD1 3.97Å; Q1019-L1034 HydrophobicContact CB-CB 4.45Å; Q1019-L1034 HydrophobicContact CB-CD1 3.96Å; Q1019-L1034 HydrophobicContact CG-CB 4.49Å; Y1022-L1034 HydrophobicContact CD2-CD1 3.57Å; Y1022-L1034 HydrophobicContact CE2-CD1 3.81Å; A1030-L1034 WeakPolarHBondContact O-CG 3.39Å; A1030-L1034 PolarHBondContact O-N 3.47Å; V1031-L1034 PolarHBondContact O-N 3.49Å; L1034-T1036 VanDerWaalsContact C-N 3.27Å; L1034-T1036 PolarHBondContact O-N 3.09Å; L1034-L1037 HydrophobicContact CD2-CD1 4.43Å; L1034-L1037 PolarHBondContact O-N 3.09Å; L1034-R1038 WeakPolarHBondContact O-CB 3.42Å; L1034-R1038 WeakPolarHBondContact O-CG 3.43Å; L1034-R1038 PolarHBondContact O-N 3.25Å
1035L84.2Confident83.2Confident4 Ų474.3 Ų74.32%0.02140%0.395CS..Hα-helixtrans-63.2-38.5174.3-175.368.3000111.1V1031 K1032 G1033 R1038 R1039 P1044 A1052V1031-L1035 WeakPolarHBondContact O-CB 3.27Å; V1031-L1035 PolarHBondContact O-N 3.08Å; K1032-L1035 PolarHBondContact O-N 2.92Å; G1033-L1035 PolarHBondContact O-N 3.12Å; L1035-R1038 PolarHBondContact O-N 2.8Å; L1035-R1039 WeakPolarHBondContact O-CG 3.28Å; L1035-R1039 PolarHBondContact O-N 3.34Å; L1035-R1039 VanDerWaalsContact O-N 3.11Å; L1035-P1044 HydrophobicContact CD1-CB 3.88Å; L1035-P1044 HydrophobicContact CD1-CG 3.89Å; L1035-A1052 HydrophobicContact CD2-CB 3.71Å
1036T84.6Confident83Confident61 Ų6175.6 Ų75.637%0.37440%0.4SS..Hα-helixtrans-67.7-46.5178.4-53.60000111.1K1032 G1033 L1034 R1038 R1039 H1040K1032-T1036 WeakPolarHBondContact O-CB 3.39Å; K1032-T1036 PolarHBondContact O-N 3.41Å; K1032-T1036 PolarHBondContact O-OG1 3.47Å; G1033-T1036 WeakPolarHBondContact O-CB 3.43Å; G1033-T1036 PolarHBondContact O-N 3.27Å; G1033-T1036 VanDerWaalsContact O-N 3.15Å; L1034-T1036 VanDerWaalsContact C-N 3.27Å; L1034-T1036 PolarHBondContact O-N 3.09Å; T1036-R1038 VanDerWaalsContact C-N 3.3Å; T1036-R1038 PolarHBondContact O-N 2.59Å; T1036-R1039 PolarHBondContact O-N 3.29Å; T1036-H1040 PolarHBondContact O-CD2 3.36Å; T1036-H1040 PolarHBondContact O-N 3.01Å
1037L82Confident82.8Confident91 Ų9173 Ų7348%0.47639%0.388SS..Hα-helixtrans-56.8-43.6174.3-71.2171.3000111.8W1015 G1033 L1034 R1039 H1040 V1041W1015-L1037 HydrophobicContact CZ3-CB 4.31Å; G1033-L1037 WeakPolarHBondContact O-CG 3.47Å; G1033-L1037 PolarHBondContact O-N 3.03Å; L1034-L1037 HydrophobicContact CD2-CD1 4.43Å; L1034-L1037 PolarHBondContact O-N 3.09Å; L1037-R1039 PolarHBondContact O-N 3.46Å; L1037-H1040 WeakPolarHBondContact O-CB 3.37Å; L1037-H1040 PolarHBondContact O-N 3.3Å; L1037-H1040 VanDerWaalsContact O-N 3.12Å; L1037-V1041 PolarHBondContact O-N 3.13Å
1038R78.9Confident82.5Confident37 Ų3768.7 Ų68.714%0.1437%0.368CS..Hα-helixtrans-63.4-39.8178.1-79.7178.1167.7-103.6-18.1113.4D1012 W1015 F1016 L1034 L1035 T1036 H1040 V1041 G1042D1012-R1038 PolarHBondContact O-NH2 3.14Å; W1015-R1038 VanDerWaalsContact CB-NE 3.34Å; W1015-R1038 HydrophobicContact CE3-CG 3.63Å; W1015-R1038 HydrophobicContact CZ3-CG 4.25Å; F1016-R1038 VanDerWaalsContact N-CZ 3.3Å; L1034-R1038 WeakPolarHBondContact O-CB 3.42Å; L1034-R1038 WeakPolarHBondContact O-CG 3.43Å; L1034-R1038 PolarHBondContact O-N 3.25Å; L1035-R1038 PolarHBondContact O-N 2.8Å; T1036-R1038 VanDerWaalsContact C-N 3.3Å; T1036-R1038 PolarHBondContact O-N 2.59Å; R1038-H1040 PolarHBondContact O-N 3.22Å; R1038-H1040 VanDerWaalsContact O-N 3.17Å; R1038-V1041 PolarHBondContact O-N 3.03Å; R1038-G1042 PolarHBondContact O-N 3.39Å
1039R78.6Confident82.5Confident128 Ų12867.9 Ų67.948%0.48336%0.356SS..Hα-helixtrans-58.7-26.4175.7-73.5173-177.7-176.22.7112.8L1035 T1036 L1037 G1042 P1044L1035-R1039 WeakPolarHBondContact O-CG 3.28Å; L1035-R1039 PolarHBondContact O-N 3.34Å; L1035-R1039 VanDerWaalsContact O-N 3.11Å; T1036-R1039 PolarHBondContact O-N 3.29Å; L1037-R1039 PolarHBondContact O-N 3.46Å; R1039-G1042 WeakPolarHBondContact CA-O 3.47Å; R1039-P1044 HydrophobicContact CG-CG 3.88Å
1040H75.2Confident82.3Confident155 Ų15562.4 Ų62.472%0.71833%0.327SS*.Hα-helixtrans-78-28.2175.6-69.1-65.4000113.2T1036 L1037 R1038T1036-H1040 PolarHBondContact O-CD2 3.36Å; T1036-H1040 PolarHBondContact O-N 3.01Å; L1037-H1040 WeakPolarHBondContact O-CB 3.37Å; L1037-H1040 PolarHBondContact O-N 3.3Å; L1037-H1040 VanDerWaalsContact O-N 3.12Å; R1038-H1040 PolarHBondContact O-N 3.22Å; R1038-H1040 VanDerWaalsContact O-N 3.17Å
1041V73.3Confident82.2Confident89 Ų8962.5 Ų62.554%0.53932%0.323SS..Hα-helixtrans-92.6-34.7-179.2178.20000112.4D1012 W1015 L1037 R1038D1012-V1041 VanDerWaalsContact OD2-CG1 3.27Å; D1012-V1041 WeakPolarHBondContact OD2-CG1 3.42Å; W1015-V1041 HydrophobicContact CH2-CG2 3.7Å; W1015-V1041 HydrophobicContact CZ3-CB 4.24Å; W1015-V1041 HydrophobicContact CZ3-CG2 3.6Å; L1037-V1041 PolarHBondContact O-N 3.13Å; R1038-V1041 PolarHBondContact O-N 3.03Å
1042G76.3Confident82Confident42 Ų4262.5 Ų62.543%0.43332%0.323SS..SBendtrans-174-173.6-178.100000114.1R1038 R1039 P1044R1038-G1042 PolarHBondContact O-N 3.39Å; R1039-G1042 WeakPolarHBondContact CA-O 3.47Å; G1042-P1044 WeakPolarHBondContact O-CD 3.38Å
1043Q75.2Confident82.1Confident184 Ų18458.8 Ų58.886%0.8631%0.306SS*.PPolyproline II helixtrans-83.1121178.2-170.6172.54.600110.6
1044P80.9Confident82Confident11 Ų1159.9 Ų59.97%0.07130%0.302CS..PPolyproline II helixtrans-63148.3175.6-19.931.2000112.2L1035 R1039 G1042 Q1048 Y1049L1035-P1044 HydrophobicContact CD1-CB 3.88Å; L1035-P1044 HydrophobicContact CD1-CG 3.89Å; R1039-P1044 HydrophobicContact CG-CG 3.88Å; G1042-P1044 WeakPolarHBondContact O-CD 3.38Å; P1044-Q1048 HydrophobicContact CB-CB 4.17Å; P1044-Y1049 HydrophobicContact CB-CD2 4.22Å; P1044-Y1049 HydrophobicContact CB-CE2 3.72Å; P1044-Y1049 HydrophobicContact CG-CE2 4.18Å; P1044-Y1049 WeakPolarHBondContact O-CE2 3.13Å
1045T83.3Confident81.9Confident68 Ų6860.8 Ų60.842%0.41731%0.308SS..PPolyproline II helixtrans-74.9159.9177.768.20000111.8Q1047 Q1048 Y1049T1045-Q1047 PolarHBondContact O-N 3.16Å; T1045-Q1048 WeakPolarHBondContact O-CB 3.37Å; T1045-Q1048 PolarHBondContact O-N 3.17Å; T1045-Q1048 VanDerWaalsContact OG1-CG 3.3Å; T1045-Q1048 WeakPolarHBondContact OG1-CG 3.42Å; T1045-Q1048 PolarHBondContact OG1-N 2.82Å; T1045-Q1048 PolarHBondContact OG1-NE2 3.19Å; T1045-Y1049 WeakPolarHBondContact O-CD2 3.42Å; T1045-Y1049 PolarHBondContact O-N 3.38Å; T1045-Y1049 VanDerWaalsContact O-N 3.17Å
1046L84.3Confident81.9Confident68 Ų6864.3 Ų64.336%0.35632%0.322SS..Hα-helixtrans-55.1-40.6176.9-59.6174.9000111.9Q1048 Y1049 I1050 F1065 I1069L1046-Q1048 VanDerWaalsContact C-N 3.29Å; L1046-Q1048 PolarHBondContact O-N 2.88Å; L1046-Y1049 PolarHBondContact O-N 3.17Å; L1046-I1050 WeakPolarHBondContact O-CG1 3.45Å; L1046-I1050 PolarHBondContact O-N 2.92Å; L1046-F1065 HydrophobicContact CD2-CD1 3.71Å; L1046-F1065 HydrophobicContact CD2-CE1 4.29Å; L1046-I1069 HydrophobicContact CB-CD1 3.98Å; L1046-I1069 HydrophobicContact CB-CG1 4.03Å; L1046-I1069 HydrophobicContact CD1-CG1 3.98Å
1047Q82.1Confident81.8Confident112 Ų11263.5 Ų63.552%0.52333%0.326SS..Hα-helixtrans-62.6-33.2176.5-68.5-179.4-8.400113.1F1016 T1045 L1051 I1069F1016-Q1047 HydrophobicContact CZ-CB 4.26Å; T1045-Q1047 PolarHBondContact O-N 3.16Å; Q1047-L1051 WeakPolarHBondContact O-CB 3.29Å; Q1047-L1051 PolarHBondContact O-N 2.9Å; Q1047-I1069 HydrophobicContact CG-CD1 4.05Å
1048Q82.9Confident82.1Confident10 Ų1062 Ų625%0.04732%0.319CS..Hα-helixtrans-72.1-38.9177.8-72.9160.4900111.9F1016 Q1019 P1044 T1045 L1046 A1052F1016-Q1048 HydrophobicContact CD2-CG 3.29Å; F1016-Q1048 HydrophobicContact CE2-CB 4.31Å; F1016-Q1048 HydrophobicContact CE2-CG 3.21Å; F1016-Q1048 HydrophobicContact CG-CG 4.15Å; F1016-Q1048 HydrophobicContact CZ-CG 4Å; Q1019-Q1048 PolarHBondContact NE2-O 3.12Å; P1044-Q1048 HydrophobicContact CB-CB 4.17Å; T1045-Q1048 WeakPolarHBondContact O-CB 3.37Å; T1045-Q1048 PolarHBondContact O-N 3.17Å; T1045-Q1048 VanDerWaalsContact OG1-CG 3.3Å; T1045-Q1048 WeakPolarHBondContact OG1-CG 3.42Å; T1045-Q1048 PolarHBondContact OG1-N 2.82Å; T1045-Q1048 PolarHBondContact OG1-NE2 3.19Å; L1046-Q1048 VanDerWaalsContact C-N 3.29Å; L1046-Q1048 PolarHBondContact O-N 2.88Å; Q1048-A1052 WeakPolarHBondContact O-CB 3.46Å; Q1048-A1052 PolarHBondContact O-N 3.06Å; Q1048-A1052 VanDerWaalsContact O-N 3.07Å
1049Y85.9Confident82.5Confident42 Ų4262.9 Ų62.917%0.16532%0.322CS..Hα-helixtrans-63.4-45.5171.7-77.4-69.5000111.2P1044 T1045 L1046 A1052 Y1053 F1065P1044-Y1049 HydrophobicContact CB-CD2 4.22Å; P1044-Y1049 HydrophobicContact CB-CE2 3.72Å; P1044-Y1049 HydrophobicContact CG-CE2 4.18Å; P1044-Y1049 WeakPolarHBondContact O-CE2 3.13Å; T1045-Y1049 WeakPolarHBondContact O-CD2 3.42Å; T1045-Y1049 PolarHBondContact O-N 3.38Å; T1045-Y1049 VanDerWaalsContact O-N 3.17Å; L1046-Y1049 PolarHBondContact O-N 3.17Å; Y1049-A1052 PolarHBondContact O-N 3.45Å; Y1049-Y1053 AromaticContact CD1-CE2 3.86Å; Y1049-Y1053 HydrophobicContact CD1-CE2 3.86Å; Y1049-Y1053 HydrophobicContact CG-CE2 4.42Å; Y1049-Y1053 WeakPolarHBondContact O-CD2 3.22Å; Y1049-Y1053 PolarHBondContact O-N 3.02Å; Y1049-F1065 HydrophobicContact CD1-CZ 4.43Å; Y1049-F1065 HydrophobicContact CD2-CE1 4.2Å; Y1049-F1065 HydrophobicContact CG-CE1 4.13Å; Y1049-F1065 HydrophobicContact CG-CZ 4.14Å
1050I86.5Confident82.9Confident12 Ų1261.6 Ų61.66%0.06233%0.325CS..Hα-helixtrans-56.4-55176.5-71.3167.3000110.7L1046 A1052 Y1053 E1054 F1065 H1066 I1069L1046-I1050 WeakPolarHBondContact O-CG1 3.45Å; L1046-I1050 PolarHBondContact O-N 2.92Å; I1050-A1052 VanDerWaalsContact C-N 3.27Å; I1050-A1052 PolarHBondContact O-N 3.4Å; I1050-Y1053 PolarHBondContact O-N 3.05Å; I1050-E1054 HydrophobicContact CG2-CG 4.12Å; I1050-E1054 WeakPolarHBondContact CG2-OE1 3.44Å; I1050-E1054 WeakPolarHBondContact O-CB 3.42Å; I1050-E1054 VanDerWaalsContact O-CG 3.29Å; I1050-E1054 WeakPolarHBondContact O-CG 3.3Å; I1050-E1054 PolarHBondContact O-N 3.2Å; I1050-F1065 HydrophobicContact CD1-CB 3.87Å; I1050-F1065 HydrophobicContact CG1-CB 3.48Å; I1050-F1065 VanDerWaalsContact CG1-CB 3.48Å; I1050-F1065 HydrophobicContact CG1-CG 4.44Å; I1050-H1066 VanDerWaalsContact CG2-NE2 3.31Å; I1050-H1066 WeakPolarHBondContact CG2-NE2 3.47Å; I1050-I1069 HydrophobicContact CD1-CD1 3.3Å; I1050-I1069 HydrophobicContact CD1-CG1 4.3Å
1051L85.4Confident83.6Confident30 Ų3057.7 Ų57.716%0.15731%0.31CS..Hα-helixtrans-55.6-43.6179.9176.765.6000112F1016 Q1019 K1020 Q1047 T1055F1016-L1051 HydrophobicContact CE2-CD2 4.46Å; Q1019-L1051 HydrophobicContact CB-CD2 4.32Å; Q1019-L1051 HydrophobicContact CG-CD2 3.83Å; K1020-L1051 HydrophobicContact CB-CD2 4.38Å; K1020-L1051 HydrophobicContact CG-CD2 3.84Å; Q1047-L1051 WeakPolarHBondContact O-CB 3.29Å; Q1047-L1051 PolarHBondContact O-N 2.9Å; L1051-T1055 HydrophobicContact CD1-CG2 4.12Å; L1051-T1055 WeakPolarHBondContact O-CB 3.38Å; L1051-T1055 WeakPolarHBondContact O-CG2 3.5Å; L1051-T1055 PolarHBondContact O-N 2.94Å; L1051-T1055 PolarHBondContact O-OG1 3.46Å
1052A84.1Confident84.3Confident0 Ų053.5 Ų53.50%028%0.284CS..Hα-helixtrans-64.2-50.7177.700000112.2V1031 L1035 Q1048 Y1049 I1050 E1054 T1055 Y1056V1031-A1052 HydrophobicContact CG1-CB 4.08Å; L1035-A1052 HydrophobicContact CD2-CB 3.71Å; Q1048-A1052 WeakPolarHBondContact O-CB 3.46Å; Q1048-A1052 PolarHBondContact O-N 3.06Å; Q1048-A1052 VanDerWaalsContact O-N 3.07Å; Y1049-A1052 PolarHBondContact O-N 3.45Å; I1050-A1052 VanDerWaalsContact C-N 3.27Å; I1050-A1052 PolarHBondContact O-N 3.4Å; A1052-E1054 VanDerWaalsContact C-N 3.34Å; A1052-E1054 PolarHBondContact O-N 2.98Å; A1052-T1055 WeakPolarHBondContact CA-OG1 3.45Å; A1052-T1055 PolarHBondContact O-N 2.9Å; A1052-T1055 PolarHBondContact O-OG1 3.21Å; A1052-Y1056 HydrophobicContact CB-CE2 3.92Å; A1052-Y1056 VanDerWaalsContact O-CD1 3.23Å; A1052-Y1056 WeakPolarHBondContact O-CD1 3.49Å; A1052-Y1056 WeakPolarHBondContact O-CD2 3.49Å; A1052-Y1056 WeakPolarHBondContact O-CE2 3.24Å; A1052-Y1056 PolarHBondContact O-N 3.04Å
1053Y87Confident84.9Confident43 Ų4352.6 Ų52.617%0.16927%0.269CS..Hα-helixtrans-66.5-35.8-179.1-71.2-55.7000112.7Y1049 I1050 Y1056 G1057 N1058 D1061 F1065Y1049-Y1053 AromaticContact CD1-CE2 3.86Å; Y1049-Y1053 HydrophobicContact CD1-CE2 3.86Å; Y1049-Y1053 HydrophobicContact CG-CE2 4.42Å; Y1049-Y1053 WeakPolarHBondContact O-CD2 3.22Å; Y1049-Y1053 PolarHBondContact O-N 3.02Å; I1050-Y1053 PolarHBondContact O-N 3.05Å; Y1053-Y1056 HydrophobicContact CD1-CD2 4.02Å; Y1053-Y1056 HydrophobicContact CD1-CE2 4.34Å; Y1053-Y1056 PolarHBondContact O-N 3.42Å; Y1053-G1057 PolarHBondContact O-N 3.45Å; Y1053-N1058 CarbonylContact O-C 3.59Å; Y1053-N1058 PolarHBondContact O-N 3.45Å; Y1053-D1061 HydrophobicContact CD1-CB 3.67Å; Y1053-D1061 HydrophobicContact CD2-CB 4.2Å; Y1053-D1061 HydrophobicContact CE1-CB 3.86Å; Y1053-D1061 HydrophobicContact CE2-CB 4.37Å; Y1053-D1061 HydrophobicContact CG-CB 3.88Å; Y1053-F1065 HydrophobicContact CD2-CD2 4.08Å; Y1053-F1065 AromaticContact CD2-CE2 3.75Å; Y1053-F1065 HydrophobicContact CD2-CE2 3.75Å; Y1053-F1065 HydrophobicContact CE2-CD2 4.17Å; Y1053-F1065 AromaticContact CE2-CE2 3.39Å; Y1053-F1065 HydrophobicContact CE2-CE2 3.39Å; Y1053-F1065 HydrophobicContact CE2-CZ 4Å
1054E85.7Confident85.6Confident56 Ų5647.3 Ų47.326%0.26225%0.251SS..Hα-helixtrans-65.8-42.4174.2-72.6-178164.800112.2I1050 A1052 Y1056 G1057 Y1059 A1062 H1066I1050-E1054 HydrophobicContact CG2-CG 4.12Å; I1050-E1054 WeakPolarHBondContact CG2-OE1 3.44Å; I1050-E1054 WeakPolarHBondContact O-CB 3.42Å; I1050-E1054 VanDerWaalsContact O-CG 3.29Å; I1050-E1054 WeakPolarHBondContact O-CG 3.3Å; I1050-E1054 PolarHBondContact O-N 3.2Å; A1052-E1054 VanDerWaalsContact C-N 3.34Å; A1052-E1054 PolarHBondContact O-N 2.98Å; E1054-Y1056 VanDerWaalsContact C-N 3.32Å; E1054-Y1056 PolarHBondContact O-N 3.34Å; E1054-G1057 PolarHBondContact O-N 2.9Å; E1054-Y1059 HydrophobicContact CB-CE1 4.18Å; E1054-Y1059 HydrophobicContact CG-CD1 4.11Å; E1054-Y1059 HydrophobicContact CG-CE1 3.98Å; E1054-A1062 HydrophobicContact CG-CB 4.17Å; E1054-H1066 IonicContact OE1-CD2 3.1Å; E1054-H1066 IonicContact OE1-CE1 3.85Å; E1054-H1066 PolarHBondContact OE1-CE1 3.03Å; E1054-H1066 IonicContact OE1-NE2 2.86Å; E1054-H1066 PolarHBondContact OE1-NE2 2.84Å
1055T83.3Confident85.9Confident33 Ų3349.1 Ų49.120%0.20226%0.257CS..Hα-helixtrans-70.3-27.2177.151.60000112.8V1031 L1051 A1052 G1057V1031-T1055 WeakPolarHBondContact CG1-OG1 3.28Å; V1031-T1055 HydrophobicContact CG2-CG2 4.4Å; L1051-T1055 HydrophobicContact CD1-CG2 4.12Å; L1051-T1055 WeakPolarHBondContact O-CB 3.38Å; L1051-T1055 WeakPolarHBondContact O-CG2 3.5Å; L1051-T1055 PolarHBondContact O-N 2.94Å; L1051-T1055 PolarHBondContact O-OG1 3.46Å; A1052-T1055 WeakPolarHBondContact CA-OG1 3.45Å; A1052-T1055 PolarHBondContact O-N 2.9Å; A1052-T1055 PolarHBondContact O-OG1 3.21Å; T1055-G1057 PolarHBondContact O-N 3.4Å
1056Y85Confident86.2Confident78 Ų7846.2 Ų46.231%0.30624%0.239SC..THydrogen-bonded Turntrans-74.3-10.5169-53.1-24.4000113.3V1031 K1032 A1052 Y1053 E1054 N1058V1031-Y1056 HydrophobicContact CG1-CE1 4.42Å; K1032-Y1056 WeakPolarHBondContact CA-OH 3.26Å; K1032-Y1056 HydrophobicContact CB-CE1 3.77Å; K1032-Y1056 WeakPolarHBondContact CB-OH 3.48Å; K1032-Y1056 HydrophobicContact CG-CE1 4.37Å; A1052-Y1056 HydrophobicContact CB-CE2 3.92Å; A1052-Y1056 VanDerWaalsContact O-CD1 3.23Å; A1052-Y1056 WeakPolarHBondContact O-CD1 3.49Å; A1052-Y1056 WeakPolarHBondContact O-CD2 3.49Å; A1052-Y1056 WeakPolarHBondContact O-CE2 3.24Å; A1052-Y1056 PolarHBondContact O-N 3.04Å; Y1053-Y1056 HydrophobicContact CD1-CD2 4.02Å; Y1053-Y1056 HydrophobicContact CD1-CE2 4.34Å; Y1053-Y1056 PolarHBondContact O-N 3.42Å; E1054-Y1056 VanDerWaalsContact C-N 3.32Å; E1054-Y1056 PolarHBondContact O-N 3.34Å; Y1056-N1058 PolarHBondContact O-N 2.84Å
1057G82.5Confident86.4Confident45 Ų4547.5 Ų47.546%0.46424%0.243SC..THydrogen-bonded Turntrans73.712-170.700000114.1Y1053 E1054 T1055 Y1059Y1053-G1057 PolarHBondContact O-N 3.45Å; E1054-G1057 PolarHBondContact O-N 2.9Å; T1055-G1057 PolarHBondContact O-N 3.4Å; G1057-Y1059 WeakPolarHBondContact O-CD2 3.35Å; G1057-Y1059 PolarHBondContact O-N 3.29Å
1058N87.7Confident86.7Confident59 Ų5944.9 Ų44.932%0.31624%0.237SC..  trans-95.268.4-178.6-165.3-3000111.6Y1053 Y1056 N1060 D1061 A1062Y1053-N1058 CarbonylContact O-C 3.59Å; Y1053-N1058 PolarHBondContact O-N 3.45Å; Y1056-N1058 PolarHBondContact O-N 2.84Å; N1058-N1060 PolarHBondContact O-N 3.45Å; N1058-D1061 PolarHBondContact ND2-OD2 3.2Å; N1058-D1061 PolarHBondContact O-N 2.88Å; N1058-A1062 PolarHBondContact O-N 2.89Å
1059Y87Confident86.9Confident55 Ų5545.2 Ų45.222%0.21624%0.239CC..Hα-helixtrans-65.6-23.4-177.1-61.4-77.6000113.9E1054 G1057 D1061 A1062 L1063 K1089E1054-Y1059 HydrophobicContact CB-CE1 4.18Å; E1054-Y1059 HydrophobicContact CG-CD1 4.11Å; E1054-Y1059 HydrophobicContact CG-CE1 3.98Å; G1057-Y1059 WeakPolarHBondContact O-CD2 3.35Å; G1057-Y1059 PolarHBondContact O-N 3.29Å; Y1059-D1061 VanDerWaalsContact C-N 3.31Å; Y1059-D1061 PolarHBondContact O-N 2.91Å; Y1059-A1062 PolarHBondContact O-N 2.86Å; Y1059-L1063 WeakPolarHBondContact O-CB 3.14Å; Y1059-L1063 PolarHBondContact O-N 3.39Å; Y1059-K1089 HydrophobicContact CD1-CB 3.9Å; Y1059-K1089 HydrophobicContact CD1-CG 4.4Å; Y1059-K1089 HydrophobicContact CD2-CB 3.97Å; Y1059-K1089 HydrophobicContact CE1-CB 3.81Å; Y1059-K1089 HydrophobicContact CE1-CG 3.88Å; Y1059-K1089 HydrophobicContact CE2-CB 3.86Å; Y1059-K1089 HydrophobicContact CE2-CD 4.5Å; Y1059-K1089 HydrophobicContact CE2-CG 4.39Å; Y1059-K1089 HydrophobicContact CG-CB 3.98Å
1060N88Confident87Confident102 Ų10243.6 Ų43.655%0.54523%0.234SC..Hα-helixtrans-63.9-39.8175.6-72.5-50.8000111.2N1058 P1064 L1090N1058-N1060 PolarHBondContact O-N 3.45Å; N1060-P1064 VanDerWaalsContact O-CD 3.29Å; N1060-P1064 WeakPolarHBondContact O-CD 3.4Å; N1060-L1090 VanDerWaalsContact OD1-CD2 3.3Å; N1060-L1090 WeakPolarHBondContact OD1-CD2 3.31Å
1061D88.7Confident87Confident73 Ų7346.7 Ų46.739%0.3926%0.261SS..Hα-helixtrans-77.4-26.3176.9-70.7-12000111.8Y1053 N1058 Y1059 P1064 F1065Y1053-D1061 HydrophobicContact CD1-CB 3.67Å; Y1053-D1061 HydrophobicContact CD2-CB 4.2Å; Y1053-D1061 HydrophobicContact CE1-CB 3.86Å; Y1053-D1061 HydrophobicContact CE2-CB 4.37Å; Y1053-D1061 HydrophobicContact CG-CB 3.88Å; N1058-D1061 PolarHBondContact ND2-OD2 3.2Å; N1058-D1061 PolarHBondContact O-N 2.88Å; Y1059-D1061 VanDerWaalsContact C-N 3.31Å; Y1059-D1061 PolarHBondContact O-N 2.91Å; D1061-P1064 WeakPolarHBondContact O-CD 3.49Å; D1061-F1065 WeakPolarHBondContact O-CD2 3.49Å; D1061-F1065 WeakPolarHBondContact O-CE2 3.4Å
1062A88.4Confident87Confident0 Ų048.6 Ų48.60%028%0.277CS..Hα-helixtrans-72.9-32.517500000113E1054 N1058 Y1059 F1065 H1066E1054-A1062 HydrophobicContact CG-CB 4.17Å; N1058-A1062 PolarHBondContact O-N 2.89Å; Y1059-A1062 PolarHBondContact O-N 2.86Å; A1062-F1065 WeakPolarHBondContact O-CB 3.49Å; A1062-F1065 PolarHBondContact O-N 2.87Å; A1062-F1065 VanDerWaalsContact O-N 3.13Å; A1062-H1066 PolarHBondContact O-N 3.28Å; A1062-H1066 VanDerWaalsContact O-N 3.16Å
1063L89.5Confident87.1Confident24 Ų2452.3 Ų52.313%0.12630%0.297CS..Hα-helixtrans-56.4-47.7-171.9-171.571000114Y1059 F1065 H1066 E1067 F1083 L1087 L1090Y1059-L1063 WeakPolarHBondContact O-CB 3.14Å; Y1059-L1063 PolarHBondContact O-N 3.39Å; L1063-F1065 PolarHBondContact O-N 3.11Å; L1063-H1066 WeakPolarHBondContact O-CB 3.32Å; L1063-H1066 PolarHBondContact O-N 3.36Å; L1063-H1066 VanDerWaalsContact O-N 3.11Å; L1063-E1067 WeakPolarHBondContact O-CG 3.39Å; L1063-E1067 PolarHBondContact O-N 3.1Å; L1063-F1083 HydrophobicContact CD1-CD2 3.84Å; L1063-F1083 HydrophobicContact CD1-CE2 3.39Å; L1063-F1083 HydrophobicContact CD1-CZ 4.28Å; L1063-F1083 HydrophobicContact CG-CE2 4.21Å; L1063-L1087 HydrophobicContact CD1-CD2 3.76Å; L1063-L1087 HydrophobicContact CD1-CG 4.23Å; L1063-L1087 HydrophobicContact CD2-CD2 4.41Å; L1063-L1090 HydrophobicContact CB-CD1 4.32Å; L1063-L1090 HydrophobicContact CD1-CD1 4.26Å; L1063-L1090 HydrophobicContact CD2-CD1 4.02Å; L1063-L1090 HydrophobicContact CG-CD1 4.46Å
1064P89.3Confident86.7Confident72 Ų7253.8 Ų53.847%0.46831%0.312SS..Hα-helixtrans-61.5-31178.6-22.734000113.4N1060 D1061 S1068N1060-P1064 VanDerWaalsContact O-CD 3.29Å; N1060-P1064 WeakPolarHBondContact O-CD 3.4Å; D1061-P1064 WeakPolarHBondContact O-CD 3.49Å; P1064-S1068 WeakPolarHBondContact O-CB 3.21Å; P1064-S1068 PolarHBondContact O-N 3.25Å
1065F88.5Confident86.7Confident49 Ų4956.6 Ų56.622%0.21533%0.328CS..Hα-helixtrans-71.8-40.4176.4-60.9-75.5000111.1L1046 Y1049 I1050 Y1053 D1061 A1062 L1063 E1067 S1068 I1069L1046-F1065 HydrophobicContact CD2-CD1 3.71Å; L1046-F1065 HydrophobicContact CD2-CE1 4.29Å; Y1049-F1065 HydrophobicContact CD1-CZ 4.43Å; Y1049-F1065 HydrophobicContact CD2-CE1 4.2Å; Y1049-F1065 HydrophobicContact CG-CE1 4.13Å; Y1049-F1065 HydrophobicContact CG-CZ 4.14Å; I1050-F1065 HydrophobicContact CD1-CB 3.87Å; I1050-F1065 HydrophobicContact CG1-CB 3.48Å; I1050-F1065 VanDerWaalsContact CG1-CB 3.48Å; I1050-F1065 HydrophobicContact CG1-CG 4.44Å; Y1053-F1065 HydrophobicContact CD2-CD2 4.08Å; Y1053-F1065 AromaticContact CD2-CE2 3.75Å; Y1053-F1065 HydrophobicContact CD2-CE2 3.75Å; Y1053-F1065 HydrophobicContact CE2-CD2 4.17Å; Y1053-F1065 AromaticContact CE2-CE2 3.39Å; Y1053-F1065 HydrophobicContact CE2-CE2 3.39Å; Y1053-F1065 HydrophobicContact CE2-CZ 4Å; D1061-F1065 WeakPolarHBondContact O-CD2 3.49Å; D1061-F1065 WeakPolarHBondContact O-CE2 3.4Å; A1062-F1065 WeakPolarHBondContact O-CB 3.49Å; A1062-F1065 PolarHBondContact O-N 2.87Å; A1062-F1065 VanDerWaalsContact O-N 3.13Å; L1063-F1065 PolarHBondContact O-N 3.11Å; F1065-E1067 VanDerWaalsContact C-N 3.35Å; F1065-S1068 PolarHBondContact O-N 3.38Å; F1065-I1069 WeakPolarHBondContact O-CG1 3.23Å; F1065-I1069 PolarHBondContact O-N 3.35Å
1066H88.3Confident86.8Confident8 Ų858.1 Ų58.14%0.03734%0.335CS..Hα-helixtrans-62.4-41172.1-79.4-69.6000112.1I1050 E1054 A1062 L1063 I1069 T1070 F1083I1050-H1066 VanDerWaalsContact CG2-NE2 3.31Å; I1050-H1066 WeakPolarHBondContact CG2-NE2 3.47Å; E1054-H1066 IonicContact OE1-CD2 3.1Å; E1054-H1066 IonicContact OE1-CE1 3.85Å; E1054-H1066 PolarHBondContact OE1-CE1 3.03Å; E1054-H1066 IonicContact OE1-NE2 2.86Å; E1054-H1066 PolarHBondContact OE1-NE2 2.84Å; A1062-H1066 PolarHBondContact O-N 3.28Å; A1062-H1066 VanDerWaalsContact O-N 3.16Å; L1063-H1066 WeakPolarHBondContact O-CB 3.32Å; L1063-H1066 PolarHBondContact O-N 3.36Å; L1063-H1066 VanDerWaalsContact O-N 3.11Å; H1066-I1069 PolarHBondContact O-N 3.12Å; H1066-T1070 WeakPolarHBondContact O-CB 3.48Å; H1066-T1070 WeakPolarHBondContact O-CG2 3.15Å; H1066-T1070 PolarHBondContact O-N 3.05Å; H1066-T1070 PolarHBondContact O-OG1 2.84Å; H1066-F1083 HydrophobicContact CB-CB 4.22Å; H1066-F1083 HydrophobicContact CB-CD2 3.76Å; H1066-F1083 HydrophobicContact CB-CG 4.49Å
1067E88.5Confident86.9Confident95 Ų9555.4 Ų55.444%0.44433%0.327SS..Hα-helixtrans-60.6-44.8173.6-69.9179.317300111.5L1063 F1065 I1069 T1070 A1071 F1083L1063-E1067 WeakPolarHBondContact O-CG 3.39Å; L1063-E1067 PolarHBondContact O-N 3.1Å; F1065-E1067 VanDerWaalsContact C-N 3.35Å; E1067-I1069 VanDerWaalsContact C-N 3.34Å; E1067-I1069 PolarHBondContact O-N 3.24Å; E1067-T1070 WeakPolarHBondContact CA-OG1 3.27Å; E1067-T1070 PolarHBondContact O-N 3.15Å; E1067-T1070 PolarHBondContact O-OG1 2.62Å; E1067-A1071 VanDerWaalsContact O-CB 3.25Å; E1067-A1071 WeakPolarHBondContact O-CB 3.49Å; E1067-A1071 PolarHBondContact O-N 2.9Å; E1067-F1083 HydrophobicContact CG-CD2 4.21Å; E1067-F1083 HydrophobicContact CG-CE2 3.47Å; E1067-F1083 VanDerWaalsContact CG-CE2 3.47Å; E1067-F1083 HydrophobicContact CG-CZ 4.12Å
1068S88.7Confident87.1Confident57 Ų5755 Ų5540%0.39932%0.322SS..Hα-helixtrans-61.6-40.4175.8-175.30000112.3P1064 F1065 S1072P1064-S1068 WeakPolarHBondContact O-CB 3.21Å; P1064-S1068 PolarHBondContact O-N 3.25Å; F1065-S1068 PolarHBondContact O-N 3.38Å; S1068-S1072 WeakPolarHBondContact O-CB 3.35Å; S1068-S1072 PolarHBondContact O-N 2.95Å; S1068-S1072 PolarHBondContact O-OG 2.87Å
1069I88.1Confident87Confident17 Ų1752.9 Ų52.99%0.08731%0.312CS..Hα-helixtrans-68.5-46.7178.8-69.1-178.8000110.6L1046 Q1047 I1050 F1065 H1066 E1067 A1071 S1072 N1073 S1079L1046-I1069 HydrophobicContact CB-CD1 3.98Å; L1046-I1069 HydrophobicContact CB-CG1 4.03Å; L1046-I1069 HydrophobicContact CD1-CG1 3.98Å; Q1047-I1069 HydrophobicContact CG-CD1 4.05Å; I1050-I1069 HydrophobicContact CD1-CD1 3.3Å; I1050-I1069 HydrophobicContact CD1-CG1 4.3Å; F1065-I1069 WeakPolarHBondContact O-CG1 3.23Å; F1065-I1069 PolarHBondContact O-N 3.35Å; H1066-I1069 PolarHBondContact O-N 3.12Å; E1067-I1069 VanDerWaalsContact C-N 3.34Å; E1067-I1069 PolarHBondContact O-N 3.24Å; I1069-A1071 VanDerWaalsContact C-N 3.29Å; I1069-A1071 PolarHBondContact O-N 3.39Å; I1069-S1072 WeakPolarHBondContact CA-OG 3.44Å; I1069-S1072 PolarHBondContact O-N 3.03Å; I1069-S1072 VanDerWaalsContact O-N 3.11Å; I1069-S1072 PolarHBondContact O-OG 3.31Å; I1069-N1073 PolarHBondContact O-N 2.67Å; I1069-S1079 WeakPolarHBondContact CG2-OG 3.3Å
1070T86.9Confident87.1Confident8 Ų852.5 Ų52.55%0.04931%0.311CS..Hα-helixtrans-65.8-30.5179.1520000112.9H1066 E1067 N1073 S1079 R1080 F1083H1066-T1070 WeakPolarHBondContact O-CB 3.48Å; H1066-T1070 WeakPolarHBondContact O-CG2 3.15Å; H1066-T1070 PolarHBondContact O-N 3.05Å; H1066-T1070 PolarHBondContact O-OG1 2.84Å; E1067-T1070 WeakPolarHBondContact CA-OG1 3.27Å; E1067-T1070 PolarHBondContact O-N 3.15Å; E1067-T1070 PolarHBondContact O-OG1 2.62Å; T1070-N1073 CarbonylContact O-C 3.47Å; T1070-S1079 WeakPolarHBondContact CG2-O 3.36Å; T1070-R1080 HydrophobicContact CG2-CG 4.48Å; T1070-R1080 PolarHBondContact O-NH2 3.48Å; T1070-F1083 HydrophobicContact CG2-CB 3.93Å
1071A87.1Confident87.1Confident76 Ų7649.1 Ų49.163%0.62829%0.292SS*.Hα-helixtrans-71.1-38.9170.500000112.2E1067 I1069E1067-A1071 VanDerWaalsContact O-CB 3.25Å; E1067-A1071 WeakPolarHBondContact O-CB 3.49Å; E1067-A1071 PolarHBondContact O-N 2.9Å; I1069-A1071 VanDerWaalsContact C-N 3.29Å; I1069-A1071 PolarHBondContact O-N 3.39Å
1072S86Confident87.1Confident70 Ų7047 Ų4749%0.4929%0.285SS..Hα-helixtrans-73-31.3179.467.80000113.6S1068 I1069 P1074S1068-S1072 WeakPolarHBondContact O-CB 3.35Å; S1068-S1072 PolarHBondContact O-N 2.95Å; S1068-S1072 PolarHBondContact O-OG 2.87Å; I1069-S1072 WeakPolarHBondContact CA-OG 3.44Å; I1069-S1072 PolarHBondContact O-N 3.03Å; I1069-S1072 VanDerWaalsContact O-N 3.11Å; I1069-S1072 PolarHBondContact O-OG 3.31Å; S1072-P1074 WeakPolarHBondContact O-CD 3.45Å
1073N84.8Confident87.2Confident79 Ų7947.7 Ų47.742%0.42229%0.288SS..  trans-122.878-178.5-65.4-31.4000110.5I1069 T1070 D1075 D1076I1069-N1073 PolarHBondContact O-N 2.67Å; T1070-N1073 CarbonylContact O-C 3.47Å; N1073-D1075 VanDerWaalsContact C-N 3.31Å; N1073-D1075 PolarHBondContact O-N 3.46Å; N1073-D1076 HydrophobicContact CB-CB 4.01Å; N1073-D1076 PolarHBondContact O-N 3.08Å
1074P79.9Confident87.2Confident74 Ų7446.6 Ų46.648%0.48128%0.282SS..THydrogen-bonded Turntrans-66.4-29.2-175.124.1-32.7000113.8S1072 W1110S1072-P1074 WeakPolarHBondContact O-CD 3.45Å; P1074-W1110 WeakPolarHBondContact O-CH2 3.39Å
1075D84.6Confident87.2Confident114 Ų11447.8 Ų47.861%0.6128%0.281SS*.THydrogen-bonded Turntrans-88-3.8-178.8-72.9-57.1000114.5N1073 V1077 R1107 W1110N1073-D1075 VanDerWaalsContact C-N 3.31Å; N1073-D1075 PolarHBondContact O-N 3.46Å; D1075-V1077 PolarHBondContact O-N 3.32Å; D1075-R1107 IonicContact OD1-CZ 4Å; D1075-R1107 IonicContact OD1-NH1 3.58Å; D1075-R1107 IonicContact OD1-NH2 2.91Å; D1075-R1107 PolarHBondContact OD1-NH2 3.36Å; D1075-W1110 WeakPolarHBondContact O-CZ2 3.43Å
1076D86.3Confident87.3Confident65 Ų6545.5 Ų45.535%0.34827%0.271SS..  trans-89.699.9179.5179.827.8000111.9N1073 G1078 S1079 R1080N1073-D1076 HydrophobicContact CB-CB 4.01Å; N1073-D1076 PolarHBondContact O-N 3.08Å; D1076-G1078 PolarHBondContact O-N 3.42Å; D1076-G1078 PolarHBondContact OD1-N 3.22Å; D1076-S1079 PolarHBondContact O-N 2.95Å; D1076-S1079 VanDerWaalsContact OD2-CB 3.27Å; D1076-S1079 WeakPolarHBondContact OD2-CB 3.43Å; D1076-S1079 PolarHBondContact OD2-N 3.42Å; D1076-S1079 PolarHBondContact OD2-OG 3.4Å; D1076-R1080 WeakPolarHBondContact O-CG 3.33Å; D1076-R1080 PolarHBondContact O-N 3.39Å
1077V86.1Confident87.5Confident22 Ų2245.2 Ų45.213%0.13327%0.27CS..Hα-helixtrans-57.8-31172.5670000113D1075 R1080 I1081 W1110 Q1113 L1114D1075-V1077 PolarHBondContact O-N 3.32Å; V1077-R1080 WeakPolarHBondContact O-CB 3.27Å; V1077-R1080 PolarHBondContact O-N 3.48Å; V1077-I1081 HydrophobicContact CG2-CD1 4.14Å; V1077-I1081 HydrophobicContact CG2-CG1 4.48Å; V1077-I1081 WeakPolarHBondContact O-CG1 3.42Å; V1077-I1081 PolarHBondContact O-N 2.83Å; V1077-W1110 HydrophobicContact CB-CD2 4.08Å; V1077-W1110 HydrophobicContact CB-CE3 4.47Å; V1077-W1110 HydrophobicContact CB-CG 4.31Å; V1077-W1110 HydrophobicContact CG2-CB 4.13Å; V1077-W1110 HydrophobicContact CG2-CD2 3.99Å; V1077-W1110 HydrophobicContact CG2-CE3 4.25Å; V1077-W1110 HydrophobicContact CG2-CG 3.96Å; V1077-Q1113 HydrophobicContact CG2-CB 4.22Å; V1077-L1114 HydrophobicContact CG2-CD2 4.47Å; V1077-L1114 HydrophobicContact CG2-CG 4.48Å
1078G86.5Confident87.5Confident35 Ų3540.9 Ų40.936%0.36125%0.25SC..Hα-helixtrans-65.1-45.9-179.400000111.9D1076 R1080 I1081 A1082D1076-G1078 PolarHBondContact O-N 3.42Å; D1076-G1078 PolarHBondContact OD1-N 3.22Å; G1078-R1080 VanDerWaalsContact C-N 3.28Å; G1078-R1080 PolarHBondContact O-N 3.07Å; G1078-I1081 PolarHBondContact O-N 2.97Å; G1078-A1082 PolarHBondContact O-N 3Å
1079S85.9Confident87.5Confident16 Ų1644.1 Ų44.111%0.11226%0.257CS..Hα-helixtrans-59.6-38172.2-66.90000112.4I1069 T1070 D1076 A1082 F1083I1069-S1079 WeakPolarHBondContact CG2-OG 3.3Å; T1070-S1079 WeakPolarHBondContact CG2-O 3.36Å; D1076-S1079 PolarHBondContact O-N 2.95Å; D1076-S1079 VanDerWaalsContact OD2-CB 3.27Å; D1076-S1079 WeakPolarHBondContact OD2-CB 3.43Å; D1076-S1079 PolarHBondContact OD2-N 3.42Å; D1076-S1079 PolarHBondContact OD2-OG 3.4Å; S1079-A1082 PolarHBondContact O-N 2.95Å; S1079-F1083 PolarHBondContact O-N 3.01Å
1080R88.3Confident87.6Confident47 Ų4745.1 Ų45.118%0.17726%0.262CS..Hα-helixtrans-67.9-40.3176.7-61.3-72.6179.7162.42.1111.8T1070 D1076 V1077 G1078 F1083 V1084 Y1099 L1103 W1110T1070-R1080 HydrophobicContact CG2-CG 4.48Å; T1070-R1080 PolarHBondContact O-NH2 3.48Å; D1076-R1080 WeakPolarHBondContact O-CG 3.33Å; D1076-R1080 PolarHBondContact O-N 3.39Å; V1077-R1080 WeakPolarHBondContact O-CB 3.27Å; V1077-R1080 PolarHBondContact O-N 3.48Å; G1078-R1080 VanDerWaalsContact C-N 3.28Å; G1078-R1080 PolarHBondContact O-N 3.07Å; R1080-F1083 PolarHBondContact O-N 3.4Å; R1080-V1084 WeakPolarHBondContact O-CG2 3.44Å; R1080-V1084 PolarHBondContact O-N 2.89Å; R1080-Y1099 WeakPolarHBondContact CD-OH 3.35Å; R1080-Y1099 PolarHBondContact NH1-OH 2.9Å; R1080-L1103 HydrophobicContact CB-CD1 4.06Å; R1080-W1110 HydrophobicContact CG-CZ3 4.34Å
1081I89.7Confident87.6Confident31 Ų3150 Ų5016%0.15929%0.288CS..Hα-helixtrans-61.5-46.1173.8-72.5167000110.4V1077 G1078 F1083 V1084 Q1085 Q1113 L1114V1077-I1081 HydrophobicContact CG2-CD1 4.14Å; V1077-I1081 HydrophobicContact CG2-CG1 4.48Å; V1077-I1081 WeakPolarHBondContact O-CG1 3.42Å; V1077-I1081 PolarHBondContact O-N 2.83Å; G1078-I1081 PolarHBondContact O-N 2.97Å; I1081-F1083 VanDerWaalsContact C-N 3.33Å; I1081-F1083 PolarHBondContact O-N 3.01Å; I1081-V1084 PolarHBondContact O-N 3.23Å; I1081-V1084 VanDerWaalsContact O-N 3.16Å; I1081-Q1085 HydrophobicContact CG2-CG 4.37Å; I1081-Q1085 WeakPolarHBondContact O-CG 3.47Å; I1081-Q1085 PolarHBondContact O-N 2.92Å; I1081-Q1113 HydrophobicContact CD1-CB 4.41Å; I1081-L1114 HydrophobicContact CG1-CD2 3.84Å
1082A87.2Confident87.8Confident28 Ų2849.7 Ų49.723%0.23127%0.273CS..Hα-helixtrans-60.8-4117800000112.1G1078 S1079 Q1085 C1086G1078-A1082 PolarHBondContact O-N 3Å; S1079-A1082 PolarHBondContact O-N 2.95Å; A1082-Q1085 WeakPolarHBondContact O-CB 3.44Å; A1082-Q1085 PolarHBondContact O-N 3.19Å; A1082-C1086 PolarHBondContact O-N 3.14Å
1083F91Very high88Confident15 Ų1547.4 Ų47.47%0.06626%0.256CS..Hα-helixtrans-61.9-44.9172.7176.6-106.6000112.4L1063 H1066 E1067 T1070 S1079 R1080 I1081 Q1085 C1086 L1087 Y1099L1063-F1083 HydrophobicContact CD1-CD2 3.84Å; L1063-F1083 HydrophobicContact CD1-CE2 3.39Å; L1063-F1083 HydrophobicContact CD1-CZ 4.28Å; L1063-F1083 HydrophobicContact CG-CE2 4.21Å; H1066-F1083 HydrophobicContact CB-CB 4.22Å; H1066-F1083 HydrophobicContact CB-CD2 3.76Å; H1066-F1083 HydrophobicContact CB-CG 4.49Å; E1067-F1083 HydrophobicContact CG-CD2 4.21Å; E1067-F1083 HydrophobicContact CG-CE2 3.47Å; E1067-F1083 VanDerWaalsContact CG-CE2 3.47Å; E1067-F1083 HydrophobicContact CG-CZ 4.12Å; T1070-F1083 HydrophobicContact CG2-CB 3.93Å; S1079-F1083 PolarHBondContact O-N 3.01Å; R1080-F1083 PolarHBondContact O-N 3.4Å; I1081-F1083 VanDerWaalsContact C-N 3.33Å; I1081-F1083 PolarHBondContact O-N 3.01Å; F1083-Q1085 VanDerWaalsContact C-N 3.32Å; F1083-Q1085 PolarHBondContact O-N 3.5Å; F1083-C1086 WeakPolarHBondContact O-CB 3.31Å; F1083-C1086 PolarHBondContact O-N 3.49Å; F1083-L1087 HydrophobicContact CD1-CD1 3.91Å; F1083-L1087 HydrophobicContact CD1-CG 4.47Å; F1083-L1087 HydrophobicContact CE1-CD1 3.42Å; F1083-L1087 VanDerWaalsContact CE1-CD1 3.42Å; F1083-L1087 HydrophobicContact CE1-CG 4.15Å; F1083-L1087 HydrophobicContact CE2-CD1 4.49Å; F1083-L1087 HydrophobicContact CE2-CG 4.39Å; F1083-L1087 HydrophobicContact CZ-CD1 3.77Å; F1083-L1087 HydrophobicContact CZ-CD2 4.28Å; F1083-L1087 HydrophobicContact CZ-CG 4.11Å; F1083-L1087 WeakPolarHBondContact O-CG 3.48Å; F1083-L1087 PolarHBondContact O-N 3.37Å; F1083-Y1099 HydrophobicContact CD1-CD1 4.11Å; F1083-Y1099 AromaticContact CD1-CE1 3.46Å; F1083-Y1099 HydrophobicContact CD1-CE1 3.46Å; F1083-Y1099 VanDerWaalsContact CD1-CE1 3.46Å; F1083-Y1099 HydrophobicContact CD1-CE2 4.17Å; F1083-Y1099 AromaticContact CD1-CZ 3.48Å; F1083-Y1099 VanDerWaalsContact CD1-CZ 3.48Å; F1083-Y1099 WeakPolarHBondContact CD1-OH 3.36Å; F1083-Y1099 HydrophobicContact CE1-CD1 4.2Å; F1083-Y1099 HydrophobicContact CE1-CD2 4.13Å; F1083-Y1099 AromaticContact CE1-CE1 3.84Å; F1083-Y1099 HydrophobicContact CE1-CE1 3.84Å; F1083-Y1099 AromaticContact CE1-CE2 3.79Å; F1083-Y1099 HydrophobicContact CE1-CE2 3.79Å; F1083-Y1099 HydrophobicContact CE1-CG 4.3Å; F1083-Y1099 AromaticContact CE1-CZ 3.59Å
1084V90.4Very high88.3Confident0 Ų048.9 Ų48.90%026%0.264CS..Hα-helixtrans-62-40.5175.6173.20000111.3R1080 I1081 L1087 L1088 Y1099 V1100 C1117R1080-V1084 WeakPolarHBondContact O-CG2 3.44Å; R1080-V1084 PolarHBondContact O-N 2.89Å; I1081-V1084 PolarHBondContact O-N 3.23Å; I1081-V1084 VanDerWaalsContact O-N 3.16Å; V1084-L1087 PolarHBondContact O-N 3.45Å; V1084-L1088 HydrophobicContact CG1-CD1 4.03Å; V1084-L1088 HydrophobicContact CG1-CG 4.32Å; V1084-L1088 WeakPolarHBondContact O-CB 3.49Å; V1084-L1088 VanDerWaalsContact O-CG 3.3Å; V1084-L1088 WeakPolarHBondContact O-CG 3.21Å; V1084-L1088 PolarHBondContact O-N 3.19Å; V1084-Y1099 HydrophobicContact CG2-CD1 3.54Å; V1084-Y1099 HydrophobicContact CG2-CE1 3.77Å; V1084-V1100 HydrophobicContact CB-CG2 4.5Å; V1084-V1100 HydrophobicContact CG1-CG2 3.84Å; V1084-V1100 HydrophobicContact CG2-CG2 3.78Å; V1084-C1117 HydrophobicContact CG1-CB 3.87Å
1085Q89.1Confident88.9Confident98 Ų9848.8 Ų48.846%0.45826%0.261SS..Hα-helixtrans-61.9-43175.1-73.1174.3-8.800111.6I1081 A1082 F1083 L1088 K1089I1081-Q1085 HydrophobicContact CG2-CG 4.37Å; I1081-Q1085 WeakPolarHBondContact O-CG 3.47Å; I1081-Q1085 PolarHBondContact O-N 2.92Å; A1082-Q1085 WeakPolarHBondContact O-CB 3.44Å; A1082-Q1085 PolarHBondContact O-N 3.19Å; F1083-Q1085 VanDerWaalsContact C-N 3.32Å; F1083-Q1085 PolarHBondContact O-N 3.5Å; Q1085-L1088 WeakPolarHBondContact O-CB 3.47Å; Q1085-L1088 PolarHBondContact O-N 3.2Å; Q1085-K1089 VanDerWaalsContact O-CG 3.25Å; Q1085-K1089 WeakPolarHBondContact O-CG 3.43Å; Q1085-K1089 PolarHBondContact O-N 2.79Å
1086C90.2Very high89.2Confident1 Ų143.3 Ų43.31%0.00723%0.232CC..Hα-helixtrans-60.3-46174.1-1730000111.6A1082 F1083 L1088 K1089 L1090A1082-C1086 PolarHBondContact O-N 3.14Å; F1083-C1086 WeakPolarHBondContact O-CB 3.31Å; F1083-C1086 PolarHBondContact O-N 3.49Å; C1086-L1088 VanDerWaalsContact C-N 3.33Å; C1086-L1088 PolarHBondContact O-N 2.95Å; C1086-K1089 WeakPolarHBondContact O-CB 3.38Å; C1086-K1089 PolarHBondContact O-N 3.26Å; C1086-L1090 PolarHBondContact O-N 3Å
1087L91.6Very high89.4Confident2 Ų244.2 Ų44.21%0.0123%0.231CC..Hα-helixtrans-61.6-39175-69.8175.3000112.8L1063 F1083 V1084 K1089 L1090 N1091 Q1092 V1095 C1096L1063-L1087 HydrophobicContact CD1-CD2 3.76Å; L1063-L1087 HydrophobicContact CD1-CG 4.23Å; L1063-L1087 HydrophobicContact CD2-CD2 4.41Å; F1083-L1087 HydrophobicContact CD1-CD1 3.91Å; F1083-L1087 HydrophobicContact CD1-CG 4.47Å; F1083-L1087 HydrophobicContact CE1-CD1 3.42Å; F1083-L1087 VanDerWaalsContact CE1-CD1 3.42Å; F1083-L1087 HydrophobicContact CE1-CG 4.15Å; F1083-L1087 HydrophobicContact CE2-CD1 4.49Å; F1083-L1087 HydrophobicContact CE2-CG 4.39Å; F1083-L1087 HydrophobicContact CZ-CD1 3.77Å; F1083-L1087 HydrophobicContact CZ-CD2 4.28Å; F1083-L1087 HydrophobicContact CZ-CG 4.11Å; F1083-L1087 WeakPolarHBondContact O-CG 3.48Å; F1083-L1087 PolarHBondContact O-N 3.37Å; V1084-L1087 PolarHBondContact O-N 3.45Å; L1087-K1089 VanDerWaalsContact C-N 3.34Å; L1087-L1090 CarbonylContact O-C 3.55Å; L1087-L1090 PolarHBondContact O-N 3.4Å; L1087-N1091 PolarHBondContact O-N 2.89Å; L1087-N1091 VanDerWaalsContact O-N 3.14Å; L1087-Q1092 HydrophobicContact CD2-CB 4.25Å; L1087-Q1092 VanDerWaalsContact CD2-OE1 3.26Å; L1087-Q1092 PolarHBondContact O-N 3.3Å; L1087-V1095 HydrophobicContact CD1-CG1 4.06Å; L1087-V1095 HydrophobicContact CD2-CG1 4.42Å; L1087-C1096 WeakPolarHBondContact CB-SG 3.34Å
1088L89.7Confident89.7Confident3 Ų352.9 Ų52.92%0.01626%0.261CS..Hα-helixtrans-64.1-39.4175.6-77.1170.4000111.3V1084 Q1085 C1086 N1091 L1093 C1096 E1120 R1124V1084-L1088 HydrophobicContact CG1-CD1 4.03Å; V1084-L1088 HydrophobicContact CG1-CG 4.32Å; V1084-L1088 WeakPolarHBondContact O-CB 3.49Å; V1084-L1088 VanDerWaalsContact O-CG 3.3Å; V1084-L1088 WeakPolarHBondContact O-CG 3.21Å; V1084-L1088 PolarHBondContact O-N 3.19Å; Q1085-L1088 WeakPolarHBondContact O-CB 3.47Å; Q1085-L1088 PolarHBondContact O-N 3.2Å; C1086-L1088 VanDerWaalsContact C-N 3.33Å; C1086-L1088 PolarHBondContact O-N 2.95Å; L1088-N1091 PolarHBondContact O-N 3.47Å; L1088-N1091 VanDerWaalsContact O-N 3.13Å; L1088-L1093 HydrophobicContact CD2-CD2 3.83Å; L1088-C1096 HydrophobicContact CD2-CB 4.29Å; L1088-E1120 HydrophobicContact CD1-CB 4.49Å; L1088-E1120 HydrophobicContact CD1-CG 4.25Å; L1088-R1124 PolarHBondContact O-NH1 3.23Å
1089K87.5Confident89.9Confident126 Ų12653.6 Ų53.655%0.54825%0.253SS..Hα-helixtrans-67.8-33.7174.3-67-73.9-177.3173.20112.3Y1059 Q1085 C1086 L1087 N1091Y1059-K1089 HydrophobicContact CD1-CB 3.9Å; Y1059-K1089 HydrophobicContact CD1-CG 4.4Å; Y1059-K1089 HydrophobicContact CD2-CB 3.97Å; Y1059-K1089 HydrophobicContact CE1-CB 3.81Å; Y1059-K1089 HydrophobicContact CE1-CG 3.88Å; Y1059-K1089 HydrophobicContact CE2-CB 3.86Å; Y1059-K1089 HydrophobicContact CE2-CD 4.5Å; Y1059-K1089 HydrophobicContact CE2-CG 4.39Å; Y1059-K1089 HydrophobicContact CG-CB 3.98Å; Q1085-K1089 VanDerWaalsContact O-CG 3.25Å; Q1085-K1089 WeakPolarHBondContact O-CG 3.43Å; Q1085-K1089 PolarHBondContact O-N 2.79Å; C1086-K1089 WeakPolarHBondContact O-CB 3.38Å; C1086-K1089 PolarHBondContact O-N 3.26Å; L1087-K1089 VanDerWaalsContact C-N 3.34Å; K1089-N1091 PolarHBondContact O-N 3.06Å
1090L90.2Very high90.1Very high37 Ų3752.9 Ų52.919%0.19425%0.248CC..THydrogen-bonded Turntrans-75.4-0170.3-72.2172.1000114.1N1060 L1063 C1086 L1087 Q1092N1060-L1090 VanDerWaalsContact OD1-CD2 3.3Å; N1060-L1090 WeakPolarHBondContact OD1-CD2 3.31Å; L1063-L1090 HydrophobicContact CB-CD1 4.32Å; L1063-L1090 HydrophobicContact CD1-CD1 4.26Å; L1063-L1090 HydrophobicContact CD2-CD1 4.02Å; L1063-L1090 HydrophobicContact CG-CD1 4.46Å; C1086-L1090 PolarHBondContact O-N 3Å; L1087-L1090 CarbonylContact O-C 3.55Å; L1087-L1090 PolarHBondContact O-N 3.4Å; L1090-Q1092 HydrophobicContact CB-CG 4.01Å; L1090-Q1092 PolarHBondContact O-N 2.97Å
1091N88.1Confident90.2Very high111 Ų11153.1 Ų53.159%0.59425%0.253SS*.THydrogen-bonded Turntrans57.227.7-175.8-162.338.4000114.1L1087 L1088 K1089 L1093L1087-N1091 PolarHBondContact O-N 2.89Å; L1087-N1091 VanDerWaalsContact O-N 3.14Å; L1088-N1091 PolarHBondContact O-N 3.47Å; L1088-N1091 VanDerWaalsContact O-N 3.13Å; K1089-N1091 PolarHBondContact O-N 3.06Å; N1091-L1093 PolarHBondContact O-N 3.31Å; N1091-L1093 WeakPolarHBondContact OD1-CG 3.43Å
1092Q90.7Very high90.2Very high70 Ų7053 Ų5333%0.32726%0.26SS..  trans-84.553.2176.9-63.5-169.96.800111.6L1087 L1090 N1094 V1095 C1096L1087-Q1092 HydrophobicContact CD2-CB 4.25Å; L1087-Q1092 VanDerWaalsContact CD2-OE1 3.26Å; L1087-Q1092 PolarHBondContact O-N 3.3Å; L1090-Q1092 HydrophobicContact CB-CG 4.01Å; L1090-Q1092 PolarHBondContact O-N 2.97Å; Q1092-N1094 VanDerWaalsContact C-N 3.32Å; Q1092-N1094 PolarHBondContact O-N 2.88Å; Q1092-V1095 HydrophobicContact CB-CB 4.16Å; Q1092-V1095 HydrophobicContact CB-CG2 4.19Å; Q1092-V1095 WeakPolarHBondContact O-CA 3.22Å; Q1092-V1095 WeakPolarHBondContact O-CB 3.39Å; Q1092-V1095 PolarHBondContact O-N 3.45Å; Q1092-C1096 PolarHBondContact O-N 3.33Å; Q1092-C1096 PolarHBondContact O-SG 3.29Å; Q1092-C1096 VanDerWaalsContact O-SG 3.34Å
1093L90.3Very high90.3Very high22 Ų2252.5 Ų52.512%0.11525%0.252CS..Hα-helixtrans-58.9-37.2-166.9-55.4178.2000114.2L1088 N1091 V1095 C1096 R1097 R1124 L1125L1088-L1093 HydrophobicContact CD2-CD2 3.83Å; N1091-L1093 PolarHBondContact O-N 3.31Å; N1091-L1093 WeakPolarHBondContact OD1-CG 3.43Å; L1093-V1095 VanDerWaalsContact C-N 3.34Å; L1093-C1096 WeakPolarHBondContact O-CB 3.37Å; L1093-C1096 PolarHBondContact O-N 3.18Å; L1093-R1097 PolarHBondContact O-N 2.89Å; L1093-R1124 HydrophobicContact CD1-CB 3.8Å; L1093-R1124 HydrophobicContact CD2-CB 3.82Å; L1093-R1124 HydrophobicContact CG-CB 4.47Å; L1093-L1125 HydrophobicContact CB-CD2 3.53Å; L1093-L1125 HydrophobicContact CB-CG 3.89Å; L1093-L1125 HydrophobicContact CD1-CD2 4.04Å; L1093-L1125 HydrophobicContact CD1-CG 4.35Å; L1093-L1125 HydrophobicContact CG-CD2 4.45Å
1094N91.2Very high90.1Very high110 Ų11052.9 Ų52.959%0.58826%0.256SS*.Hα-helixtrans-68.8-34177.6-71.2-35.5000112.3Q1092 R1098Q1092-N1094 VanDerWaalsContact C-N 3.32Å; Q1092-N1094 PolarHBondContact O-N 2.88Å; N1094-R1098 WeakPolarHBondContact O-CG 3.38Å; N1094-R1098 PolarHBondContact O-N 3.47Å; N1094-R1098 VanDerWaalsContact O-N 3.14Å
1095V91.5Very high90Very high71 Ų7161.2 Ų61.243%0.4329%0.293SS..Hα-helixtrans-70.3-46174.9-175.70000108.9L1087 Q1092 L1093 R1097 R1098 Y1099L1087-V1095 HydrophobicContact CD1-CG1 4.06Å; L1087-V1095 HydrophobicContact CD2-CG1 4.42Å; Q1092-V1095 HydrophobicContact CB-CB 4.16Å; Q1092-V1095 HydrophobicContact CB-CG2 4.19Å; Q1092-V1095 WeakPolarHBondContact O-CA 3.22Å; Q1092-V1095 WeakPolarHBondContact O-CB 3.39Å; Q1092-V1095 PolarHBondContact O-N 3.45Å; L1093-V1095 VanDerWaalsContact C-N 3.34Å; V1095-R1097 VanDerWaalsContact C-N 3.34Å; V1095-R1097 PolarHBondContact O-N 2.84Å; V1095-R1098 PolarHBondContact O-N 2.98Å; V1095-Y1099 WeakPolarHBondContact O-CB 3.33Å; V1095-Y1099 PolarHBondContact O-N 2.98Å
1096C91.3Very high89.9Confident0 Ų062.2 Ų62.20%030%0.301CS..Hα-helixtrans-52.3-50.8172.9-60.90000111.5L1087 L1088 Q1092 L1093 Y1099 V1100 T1121L1087-C1096 WeakPolarHBondContact CB-SG 3.34Å; L1088-C1096 HydrophobicContact CD2-CB 4.29Å; Q1092-C1096 PolarHBondContact O-N 3.33Å; Q1092-C1096 PolarHBondContact O-SG 3.29Å; Q1092-C1096 VanDerWaalsContact O-SG 3.34Å; L1093-C1096 WeakPolarHBondContact O-CB 3.37Å; L1093-C1096 PolarHBondContact O-N 3.18Å; C1096-Y1099 PolarHBondContact O-N 3.3Å; C1096-V1100 WeakPolarHBondContact O-CB 3.39Å; C1096-V1100 VanDerWaalsContact O-CG2 3.27Å; C1096-V1100 WeakPolarHBondContact O-CG2 3.21Å; C1096-V1100 PolarHBondContact O-N 3.03Å; C1096-T1121 HydrophobicContact CB-CG2 3.81Å
1097R91Very high89.8Confident84 Ų8466.4 Ų66.432%0.31732%0.317SS..Hα-helixtrans-59.1-52.9-178.9179.7176.8-178.8159.59.2111.6L1093 V1095 Y1099 V1100 D1101 T1121 L1125 D1127L1093-R1097 PolarHBondContact O-N 2.89Å; V1095-R1097 VanDerWaalsContact C-N 3.34Å; V1095-R1097 PolarHBondContact O-N 2.84Å; R1097-Y1099 VanDerWaalsContact C-N 3.27Å; R1097-Y1099 PolarHBondContact O-N 3.5Å; R1097-V1100 PolarHBondContact O-N 3.26Å; R1097-D1101 WeakPolarHBondContact CG-OD2 3.3Å; R1097-D1101 IonicContact NE-OD2 3.26Å; R1097-D1101 VanDerWaalsContact O-CB 3.25Å; R1097-D1101 WeakPolarHBondContact O-CB 2.87Å; R1097-D1101 VanDerWaalsContact O-CG 3.28Å; R1097-D1101 PolarHBondContact O-N 2.99Å; R1097-T1121 HydrophobicContact CB-CG2 4.04Å; R1097-L1125 HydrophobicContact CB-CD1 3.99Å; R1097-L1125 HydrophobicContact CG-CD1 4.4Å; R1097-D1127 IonicContact CZ-OD2 2.69Å; R1097-D1127 VanDerWaalsContact CZ-OD2 3.26Å; R1097-D1127 IonicContact NH1-OD2 3.5Å; R1097-D1127 PolarHBondContact NH1-OD2 3.42Å; R1097-D1127 IonicContact NH2-OD2 2.73Å; R1097-D1127 PolarHBondContact NH2-OD2 2.83Å
1098R91.9Very high89.5Confident204 Ų20470.7 Ų70.777%0.7735%0.345SS*.Hα-helixtrans-60.5-39.9179.5-72.7179-179.1179.90.9112N1094 V1095 G1102N1094-R1098 WeakPolarHBondContact O-CG 3.38Å; N1094-R1098 PolarHBondContact O-N 3.47Å; N1094-R1098 VanDerWaalsContact O-N 3.14Å; V1095-R1098 PolarHBondContact O-N 2.98Å; R1098-G1102 PolarHBondContact O-N 3.47Å
1099Y91.7Very high89.3Confident50 Ų5075.4 Ų75.420%0.19637%0.37CS..Hα-helixtrans-68.8-48.3-179.8-172.7-101.2000111.8R1080 F1083 V1084 V1095 C1096 R1097 G1102 L1103R1080-Y1099 WeakPolarHBondContact CD-OH 3.35Å; R1080-Y1099 PolarHBondContact NH1-OH 2.9Å; F1083-Y1099 HydrophobicContact CD1-CD1 4.11Å; F1083-Y1099 AromaticContact CD1-CE1 3.46Å; F1083-Y1099 HydrophobicContact CD1-CE1 3.46Å; F1083-Y1099 VanDerWaalsContact CD1-CE1 3.46Å; F1083-Y1099 HydrophobicContact CD1-CE2 4.17Å; F1083-Y1099 AromaticContact CD1-CZ 3.48Å; F1083-Y1099 VanDerWaalsContact CD1-CZ 3.48Å; F1083-Y1099 WeakPolarHBondContact CD1-OH 3.36Å; F1083-Y1099 HydrophobicContact CE1-CD1 4.2Å; F1083-Y1099 HydrophobicContact CE1-CD2 4.13Å; F1083-Y1099 AromaticContact CE1-CE1 3.84Å; F1083-Y1099 HydrophobicContact CE1-CE1 3.84Å; F1083-Y1099 AromaticContact CE1-CE2 3.79Å; F1083-Y1099 HydrophobicContact CE1-CE2 3.79Å; F1083-Y1099 HydrophobicContact CE1-CG 4.3Å; F1083-Y1099 AromaticContact CE1-CZ 3.59Å; V1084-Y1099 HydrophobicContact CG2-CD1 3.54Å; V1084-Y1099 HydrophobicContact CG2-CE1 3.77Å; V1095-Y1099 WeakPolarHBondContact O-CB 3.33Å; V1095-Y1099 PolarHBondContact O-N 2.98Å; C1096-Y1099 PolarHBondContact O-N 3.3Å; R1097-Y1099 VanDerWaalsContact C-N 3.27Å; R1097-Y1099 PolarHBondContact O-N 3.5Å; Y1099-G1102 PolarHBondContact O-N 3.38Å; Y1099-L1103 HydrophobicContact CD1-CD1 3.71Å; Y1099-L1103 HydrophobicContact CD1-CG 4.28Å; Y1099-L1103 HydrophobicContact CE1-CD1 3.43Å; Y1099-L1103 VanDerWaalsContact CE1-CD1 3.43Å; Y1099-L1103 HydrophobicContact CE1-CG 4.16Å; Y1099-L1103 VanDerWaalsContact O-CG 3.29Å; Y1099-L1103 WeakPolarHBondContact O-CG 3.48Å; Y1099-L1103 PolarHBondContact O-N 2.91Å
1100V90.5Very high89.4Confident1 Ų170.3 Ų70.31%0.00635%0.348CS..Hα-helixtrans-65.4-44.4177.4174.20000111.3V1084 C1096 R1097 G1102 L1103 V1104 R1118V1084-V1100 HydrophobicContact CB-CG2 4.5Å; V1084-V1100 HydrophobicContact CG1-CG2 3.84Å; V1084-V1100 HydrophobicContact CG2-CG2 3.78Å; C1096-V1100 WeakPolarHBondContact O-CB 3.39Å; C1096-V1100 VanDerWaalsContact O-CG2 3.27Å; C1096-V1100 WeakPolarHBondContact O-CG2 3.21Å; C1096-V1100 PolarHBondContact O-N 3.03Å; R1097-V1100 PolarHBondContact O-N 3.26Å; V1100-G1102 VanDerWaalsContact C-N 3.29Å; V1100-G1102 PolarHBondContact O-N 3.3Å; V1100-L1103 PolarHBondContact O-N 3.44Å; V1100-V1104 HydrophobicContact CG1-CG2 4.43Å; V1100-V1104 WeakPolarHBondContact O-CG2 3.48Å; V1100-V1104 PolarHBondContact O-N 3.08Å; V1100-R1118 HydrophobicContact CG1-CB 3.96Å; V1100-R1118 HydrophobicContact CG1-CG 4.1Å
1101D89.1Confident89.1Confident52 Ų5270.3 Ų70.328%0.27835%0.35SS..Hα-helixtrans-62.3-38.6176.8-73.7-28000111.2R1097 F1105 R1118R1097-D1101 WeakPolarHBondContact CG-OD2 3.3Å; R1097-D1101 IonicContact NE-OD2 3.26Å; R1097-D1101 VanDerWaalsContact O-CB 3.25Å; R1097-D1101 WeakPolarHBondContact O-CB 2.87Å; R1097-D1101 VanDerWaalsContact O-CG 3.28Å; R1097-D1101 PolarHBondContact O-N 2.99Å; D1101-F1105 WeakPolarHBondContact O-CB 3.47Å; D1101-F1105 PolarHBondContact O-N 3.38Å; D1101-R1118 IonicContact OD1-CZ 3.97Å; D1101-R1118 IonicContact OD1-NE 2.69Å; D1101-R1118 PolarHBondContact OD1-NE 3.3Å; D1101-R1118 IonicContact OD1-NH2 2.69Å; D1101-R1118 PolarHBondContact OD1-NH2 3.29Å
1102G89.9Confident89Confident29 Ų2973.4 Ų73.430%0.29936%0.361SS..Hα-helixtrans-64.3-46.1172.900000112.7R1098 Y1099 V1100 V1104 F1105 D1106R1098-G1102 PolarHBondContact O-N 3.47Å; Y1099-G1102 PolarHBondContact O-N 3.38Å; V1100-G1102 VanDerWaalsContact C-N 3.29Å; V1100-G1102 PolarHBondContact O-N 3.3Å; G1102-V1104 VanDerWaalsContact C-N 3.35Å; G1102-V1104 PolarHBondContact O-N 3.12Å; G1102-F1105 WeakPolarHBondContact O-CB 3.49Å; G1102-F1105 PolarHBondContact O-N 3.39Å; G1102-D1106 WeakPolarHBondContact O-CB 3.38Å; G1102-D1106 PolarHBondContact O-N 2.81Å
1103L89.8Confident88.7Confident16 Ų1675 Ų758%0.08437%0.369CS..Hα-helixtrans-60.6-41.8176.7-73.5177.3000112.5R1080 Y1099 V1100 F1105 D1106 R1107 W1110 L1114R1080-L1103 HydrophobicContact CB-CD1 4.06Å; Y1099-L1103 HydrophobicContact CD1-CD1 3.71Å; Y1099-L1103 HydrophobicContact CD1-CG 4.28Å; Y1099-L1103 HydrophobicContact CE1-CD1 3.43Å; Y1099-L1103 VanDerWaalsContact CE1-CD1 3.43Å; Y1099-L1103 HydrophobicContact CE1-CG 4.16Å; Y1099-L1103 VanDerWaalsContact O-CG 3.29Å; Y1099-L1103 WeakPolarHBondContact O-CG 3.48Å; Y1099-L1103 PolarHBondContact O-N 2.91Å; V1100-L1103 PolarHBondContact O-N 3.44Å; L1103-F1105 VanDerWaalsContact C-N 3.34Å; L1103-D1106 PolarHBondContact O-N 3.25Å; L1103-R1107 WeakPolarHBondContact O-CA 3.42Å; L1103-R1107 PolarHBondContact O-N 3.01Å; L1103-W1110 HydrophobicContact CD2-CE3 4.48Å; L1103-W1110 HydrophobicContact CD2-CZ3 4.09Å; L1103-L1114 HydrophobicContact CB-CD1 3.74Å; L1103-L1114 HydrophobicContact CD1-CD1 4.22Å; L1103-L1114 HydrophobicContact CD1-CD2 4.35Å
1104V87.1Confident88.6Confident24 Ų2474 Ų7415%0.14536%0.364CS..Hα-helixtrans-68.9-34.6177.81730000111.4V1100 G1102 R1107 P1108 L1114V1100-V1104 HydrophobicContact CG1-CG2 4.43Å; V1100-V1104 WeakPolarHBondContact O-CG2 3.48Å; V1100-V1104 PolarHBondContact O-N 3.08Å; G1102-V1104 VanDerWaalsContact C-N 3.35Å; G1102-V1104 PolarHBondContact O-N 3.12Å; V1104-R1107 CarbonylContact O-C 3.59Å; V1104-P1108 WeakPolarHBondContact O-CA 3.17Å; V1104-L1114 HydrophobicContact CG2-CB 4.41Å; V1104-L1114 HydrophobicContact CG2-CD1 3.96Å
1105F88Confident88.4Confident175 Ų17570.5 Ų70.577%0.76834%0.343SS*.Hα-helixtrans-67-44.8174.4-178.9-94.5000111.8D1101 G1102 L1103D1101-F1105 WeakPolarHBondContact O-CB 3.47Å; D1101-F1105 PolarHBondContact O-N 3.38Å; G1102-F1105 WeakPolarHBondContact O-CB 3.49Å; G1102-F1105 PolarHBondContact O-N 3.39Å; L1103-F1105 VanDerWaalsContact C-N 3.34Å
1106D87.1Confident88.2Confident119 Ų11970.8 Ų70.864%0.63635%0.349SS*.Hα-helixtrans-75.1-35.7-178.4-68.7-20.4000112.6G1102 L1103G1102-D1106 WeakPolarHBondContact O-CB 3.38Å; G1102-D1106 PolarHBondContact O-N 2.81Å; L1103-D1106 PolarHBondContact O-N 3.25Å
1107R87.4Confident88.1Confident88 Ų8870.9 Ų70.933%0.33235%0.349SS..  trans-133.279.4-177.2-69.4-72.3-91.2-134.6-21.5110.7D1075 L1103 V1104 D1109 W1110D1075-R1107 IonicContact OD1-CZ 4Å; D1075-R1107 IonicContact OD1-NH1 3.58Å; D1075-R1107 IonicContact OD1-NH2 2.91Å; D1075-R1107 PolarHBondContact OD1-NH2 3.36Å; L1103-R1107 WeakPolarHBondContact O-CA 3.42Å; L1103-R1107 PolarHBondContact O-N 3.01Å; V1104-R1107 CarbonylContact O-C 3.59Å; R1107-D1109 VanDerWaalsContact C-OD1 3.25Å; R1107-D1109 VanDerWaalsContact CA-OD1 3.31Å; R1107-D1109 WeakPolarHBondContact CA-OD1 3.49Å; R1107-D1109 WeakPolarHBondContact CB-OD1 3.42Å; R1107-D1109 IonicContact NE-OD1 3.15Å; R1107-D1109 IonicContact NE-OD2 2.66Å; R1107-D1109 PolarHBondContact NE-OD2 3.19Å; R1107-D1109 PolarHBondContact O-N 3.09Å; R1107-W1110 HydrophobicContact CB-CB 4.28Å; R1107-W1110 HydrophobicContact CB-CD2 3.59Å; R1107-W1110 HydrophobicContact CB-CE3 3.71Å; R1107-W1110 HydrophobicContact CB-CG 3.85Å; R1107-W1110 HydrophobicContact CB-CZ3 4.3Å; R1107-W1110 HydrophobicContact CG-CD2 4.04Å; R1107-W1110 HydrophobicContact CG-CE3 4.03Å; R1107-W1110 HydrophobicContact CG-CH2 4.2Å; R1107-W1110 HydrophobicContact CG-CZ2 4.22Å; R1107-W1110 HydrophobicContact CG-CZ3 4.11Å; R1107-W1110 WeakPolarHBondContact O-CB 3.34Å; R1107-W1110 PolarHBondContact O-N 3.28Å
1108P85.7Confident88.1Confident93 Ų9368.8 Ų68.860%0.60434%0.341SS*.G310 helixtrans-63.1-21.9178.923.5-32.3000113.1V1104 W1110 S1111V1104-P1108 WeakPolarHBondContact O-CA 3.17Å; P1108-W1110 PolarHBondContact O-N 3.05Å; P1108-S1111 WeakPolarHBondContact O-CB 3.41Å; P1108-S1111 PolarHBondContact O-N 2.54Å
1109D86.3Confident88Confident101 Ų10160.6 Ų60.654%0.5431%0.314SS..G310 helixtrans-61.5-26.617155.4-55.7000113.3R1107 S1111R1107-D1109 VanDerWaalsContact C-OD1 3.25Å; R1107-D1109 VanDerWaalsContact CA-OD1 3.31Å; R1107-D1109 WeakPolarHBondContact CA-OD1 3.49Å; R1107-D1109 WeakPolarHBondContact CB-OD1 3.42Å; R1107-D1109 IonicContact NE-OD1 3.15Å; R1107-D1109 IonicContact NE-OD2 2.66Å; R1107-D1109 PolarHBondContact NE-OD2 3.19Å; R1107-D1109 PolarHBondContact O-N 3.09Å; D1109-S1111 VanDerWaalsContact C-N 3.32Å
1110W88.3Confident87.9Confident20 Ų2061.7 Ų61.78%0.07632%0.321CS..G310 helixtrans-85.9-4.7178.2-63.7-5.7000113.6P1074 D1075 V1077 R1080 L1103 R1107 P1108 E1112 Q1113 L1114P1074-W1110 WeakPolarHBondContact O-CH2 3.39Å; D1075-W1110 WeakPolarHBondContact O-CZ2 3.43Å; V1077-W1110 HydrophobicContact CB-CD2 4.08Å; V1077-W1110 HydrophobicContact CB-CE3 4.47Å; V1077-W1110 HydrophobicContact CB-CG 4.31Å; V1077-W1110 HydrophobicContact CG2-CB 4.13Å; V1077-W1110 HydrophobicContact CG2-CD2 3.99Å; V1077-W1110 HydrophobicContact CG2-CE3 4.25Å; V1077-W1110 HydrophobicContact CG2-CG 3.96Å; R1080-W1110 HydrophobicContact CG-CZ3 4.34Å; L1103-W1110 HydrophobicContact CD2-CE3 4.48Å; L1103-W1110 HydrophobicContact CD2-CZ3 4.09Å; R1107-W1110 HydrophobicContact CB-CB 4.28Å; R1107-W1110 HydrophobicContact CB-CD2 3.59Å; R1107-W1110 HydrophobicContact CB-CE3 3.71Å; R1107-W1110 HydrophobicContact CB-CG 3.85Å; R1107-W1110 HydrophobicContact CB-CZ3 4.3Å; R1107-W1110 HydrophobicContact CG-CD2 4.04Å; R1107-W1110 HydrophobicContact CG-CE3 4.03Å; R1107-W1110 HydrophobicContact CG-CH2 4.2Å; R1107-W1110 HydrophobicContact CG-CZ2 4.22Å; R1107-W1110 HydrophobicContact CG-CZ3 4.11Å; R1107-W1110 WeakPolarHBondContact O-CB 3.34Å; R1107-W1110 PolarHBondContact O-N 3.28Å; P1108-W1110 PolarHBondContact O-N 3.05Å; W1110-E1112 PolarHBondContact O-N 2.99Å; W1110-Q1113 PolarHBondContact O-N 3.2Å; W1110-Q1113 VanDerWaalsContact O-N 3.08Å; W1110-L1114 HydrophobicContact CB-CD1 3.93Å; W1110-L1114 HydrophobicContact CB-CG 4.33Å; W1110-L1114 WeakPolarHBondContact O-CG 3.3Å; W1110-L1114 PolarHBondContact O-N 3.43Å
1111S84.6Confident88Confident36 Ų3661.8 Ų61.825%0.25232%0.321SS..Hα-helixtrans-55.3-39.5-174.1-1710000112.5P1108 D1109 H1115P1108-S1111 WeakPolarHBondContact O-CB 3.41Å; P1108-S1111 PolarHBondContact O-N 2.54Å; D1109-S1111 VanDerWaalsContact C-N 3.32Å; S1111-H1115 PolarHBondContact O-N 3.36Å; S1111-H1115 VanDerWaalsContact O-N 3.14Å
1112E85.3Confident88.1Confident176 Ų17659.5 Ų59.582%0.82231%0.309SS*.Hα-helixtrans-65.5-41.3179.8-169.1-179.5174.100112.1W1110 H1115W1110-E1112 PolarHBondContact O-N 2.99Å; E1112-H1115 WeakPolarHBondContact O-CB 3.49Å
1113Q85.7Confident88Confident104 Ų10460.4 Ų60.449%0.48631%0.311SS..Hα-helixtrans-76.4-33.9-177.8-66.2171.2-1000112.2V1077 I1081 W1110 H1115V1077-Q1113 HydrophobicContact CG2-CB 4.22Å; I1081-Q1113 HydrophobicContact CD1-CB 4.41Å; W1110-Q1113 PolarHBondContact O-N 3.2Å; W1110-Q1113 VanDerWaalsContact O-N 3.08Å; Q1113-H1115 VanDerWaalsContact C-N 3.3Å
1114L87.6Confident88Confident1 Ų164.8 Ų64.81%0.00533%0.326CS..Hα-helixtrans-79.6-11.8177.7-68.6172.9000113.6V1077 I1081 L1103 V1104 W1110 S1116 C1117 R1118V1077-L1114 HydrophobicContact CG2-CD2 4.47Å; V1077-L1114 HydrophobicContact CG2-CG 4.48Å; I1081-L1114 HydrophobicContact CG1-CD2 3.84Å; L1103-L1114 HydrophobicContact CB-CD1 3.74Å; L1103-L1114 HydrophobicContact CD1-CD1 4.22Å; L1103-L1114 HydrophobicContact CD1-CD2 4.35Å; V1104-L1114 HydrophobicContact CG2-CB 4.41Å; V1104-L1114 HydrophobicContact CG2-CD1 3.96Å; W1110-L1114 HydrophobicContact CB-CD1 3.93Å; W1110-L1114 HydrophobicContact CB-CG 4.33Å; W1110-L1114 WeakPolarHBondContact O-CG 3.3Å; W1110-L1114 PolarHBondContact O-N 3.43Å; L1114-S1116 VanDerWaalsContact C-N 3.31Å; L1114-S1116 PolarHBondContact O-N 3.09Å; L1114-C1117 PolarHBondContact O-N 3.21Å; L1114-R1118 PolarHBondContact O-N 3.48Å
1115H87.4Confident88.2Confident36 Ų3665.9 Ų65.917%0.16733%0.331CS..Hα-helixtrans-55-44.6-175.3-175.673.4000112.7S1111 E1112 Q1113 C1117 R1118 V1119 E1134 V1138S1111-H1115 PolarHBondContact O-N 3.36Å; S1111-H1115 VanDerWaalsContact O-N 3.14Å; E1112-H1115 WeakPolarHBondContact O-CB 3.49Å; Q1113-H1115 VanDerWaalsContact C-N 3.3Å; H1115-C1117 PolarHBondContact O-N 3.08Å; H1115-R1118 PolarHBondContact O-N 3.25Å; H1115-R1118 VanDerWaalsContact O-N 3.17Å; H1115-V1119 WeakPolarHBondContact NE2-CG2 3.26Å; H1115-V1119 WeakPolarHBondContact O-CG2 3.34Å; H1115-V1119 PolarHBondContact O-N 2.96Å; H1115-E1134 PolarHBondContact CE1-O 3.18Å; H1115-E1134 VanDerWaalsContact CE1-O 3.31Å; H1115-E1134 IonicContact CE1-OE1 2.66Å; H1115-E1134 IonicContact CG-OE1 3.9Å; H1115-E1134 IonicContact ND1-OE1 3.38Å; H1115-E1134 PolarHBondContact ND1-OE1 3.15Å; H1115-V1138 WeakPolarHBondContact CE1-CG2 3.28Å; H1115-V1138 WeakPolarHBondContact NE2-CG2 3.49Å
1116S87.4Confident88.3Confident77 Ų7764.2 Ų64.254%0.53833%0.326SS..Hα-helixtrans-57.9-47.4178.461.50000112.6L1114 R1118 V1119 E1120L1114-S1116 VanDerWaalsContact C-N 3.31Å; L1114-S1116 PolarHBondContact O-N 3.09Å; S1116-R1118 VanDerWaalsContact C-N 3.34Å; S1116-R1118 PolarHBondContact O-N 3.43Å; S1116-V1119 PolarHBondContact O-N 2.89Å; S1116-E1120 PolarHBondContact O-N 2.92Å
1117C89Confident88.4Confident2 Ų260.6 Ų60.61%0.01431%0.306CS..Hα-helixtrans-64.4-38.3176.8-650000112V1084 L1114 H1115 T1121V1084-C1117 HydrophobicContact CG1-CB 3.87Å; L1114-C1117 PolarHBondContact O-N 3.21Å; H1115-C1117 PolarHBondContact O-N 3.08Å; C1117-T1121 WeakPolarHBondContact O-CB 3.4Å; C1117-T1121 PolarHBondContact O-N 2.85Å; C1117-T1121 PolarHBondContact O-OG1 3.27Å
1118R89.4Confident88.5Confident40 Ų4063.4 Ų63.415%0.15132%0.317CS..Hα-helixtrans-66.6-47.4178.9-164.2177.6-174.717617.9111.3V1100 D1101 L1114 H1115 S1116 E1120 T1121 L1122 E1134V1100-R1118 HydrophobicContact CG1-CB 3.96Å; V1100-R1118 HydrophobicContact CG1-CG 4.1Å; D1101-R1118 IonicContact OD1-CZ 3.97Å; D1101-R1118 IonicContact OD1-NE 2.69Å; D1101-R1118 PolarHBondContact OD1-NE 3.3Å; D1101-R1118 IonicContact OD1-NH2 2.69Å; D1101-R1118 PolarHBondContact OD1-NH2 3.29Å; L1114-R1118 PolarHBondContact O-N 3.48Å; H1115-R1118 PolarHBondContact O-N 3.25Å; H1115-R1118 VanDerWaalsContact O-N 3.17Å; S1116-R1118 VanDerWaalsContact C-N 3.34Å; S1116-R1118 PolarHBondContact O-N 3.43Å; R1118-E1120 VanDerWaalsContact C-N 3.35Å; R1118-E1120 PolarHBondContact O-N 3.32Å; R1118-T1121 PolarHBondContact O-N 3.43Å; R1118-L1122 HydrophobicContact CG-CD1 4.05Å; R1118-L1122 HydrophobicContact CG-CG 4.4Å; R1118-L1122 WeakPolarHBondContact O-CB 3.44Å; R1118-L1122 VanDerWaalsContact O-CG 3.25Å; R1118-L1122 WeakPolarHBondContact O-CG 3.36Å; R1118-L1122 PolarHBondContact O-N 3.45Å; R1118-E1134 HydrophobicContact CG-CG 4.35Å; R1118-E1134 IonicContact CZ-OE2 3.6Å; R1118-E1134 IonicContact NE-OE2 3.43Å; R1118-E1134 IonicContact NH1-OE1 3.77Å; R1118-E1134 IonicContact NH1-OE2 2.81Å; R1118-E1134 PolarHBondContact NH1-OE2 3.24Å
1119V89.9Confident88.7Confident32 Ų3267.2 Ų67.219%0.19432%0.324CS..Hα-helixtrans-56.5-48.8174.4165.90000110.6H1115 S1116 T1121 L1122 C1123 L1131 E1134 L1135H1115-V1119 WeakPolarHBondContact NE2-CG2 3.26Å; H1115-V1119 WeakPolarHBondContact O-CG2 3.34Å; H1115-V1119 PolarHBondContact O-N 2.96Å; S1116-V1119 PolarHBondContact O-N 2.89Å; V1119-T1121 VanDerWaalsContact C-N 3.34Å; V1119-T1121 PolarHBondContact O-N 3.45Å; V1119-L1122 PolarHBondContact O-N 3.41Å; V1119-C1123 VanDerWaalsContact O-CB 3.3Å; V1119-C1123 WeakPolarHBondContact O-CB 3.42Å; V1119-C1123 PolarHBondContact O-N 3.26Å; V1119-C1123 PolarHBondContact O-SG 2.86Å; V1119-L1131 HydrophobicContact CB-CD1 4.28Å; V1119-L1131 HydrophobicContact CG1-CD1 3.88Å; V1119-L1131 HydrophobicContact CG2-CD1 4.2Å; V1119-E1134 HydrophobicContact CG2-CG 4.29Å; V1119-L1135 HydrophobicContact CG2-CD2 4.43Å
1120E90.3Very high88.8Confident73 Ų7363.6 Ų63.634%0.34131%0.308SS..Hα-helixtrans-59.9-44.4177.3-175176.3174.600112L1088 S1116 R1118 C1123 R1124L1088-E1120 HydrophobicContact CD1-CB 4.49Å; L1088-E1120 HydrophobicContact CD1-CG 4.25Å; S1116-E1120 PolarHBondContact O-N 2.92Å; R1118-E1120 VanDerWaalsContact C-N 3.35Å; R1118-E1120 PolarHBondContact O-N 3.32Å; E1120-C1123 PolarHBondContact O-N 3.33Å; E1120-R1124 WeakPolarHBondContact O-CG 3.29Å; E1120-R1124 PolarHBondContact O-N 3.14Å; E1120-R1124 IonicContact OE1-CZ 2.92Å; E1120-R1124 IonicContact OE1-NE 3.76Å; E1120-R1124 PolarHBondContact OE1-NE 2.77Å; E1120-R1124 IonicContact OE1-NH1 2.76Å; E1120-R1124 IonicContact OE1-NH2 3.41Å; E1120-R1124 PolarHBondContact OE1-NH2 3.14Å
1121T91.8Very high88.9Confident3 Ų363.2 Ų63.22%0.01831%0.307CS..Hα-helixtrans-61.3-47.4178.5-55.70000111.4C1096 R1097 C1117 R1118 V1119 R1124 L1125C1096-T1121 HydrophobicContact CB-CG2 3.81Å; R1097-T1121 HydrophobicContact CB-CG2 4.04Å; C1117-T1121 WeakPolarHBondContact O-CB 3.4Å; C1117-T1121 PolarHBondContact O-N 2.85Å; C1117-T1121 PolarHBondContact O-OG1 3.27Å; R1118-T1121 PolarHBondContact O-N 3.43Å; V1119-T1121 VanDerWaalsContact C-N 3.34Å; V1119-T1121 PolarHBondContact O-N 3.45Å; T1121-R1124 PolarHBondContact O-N 3Å; T1121-L1125 HydrophobicContact CG2-CD1 4.01Å; T1121-L1125 WeakPolarHBondContact O-CB 3.41Å; T1121-L1125 WeakPolarHBondContact O-CG 3.44Å; T1121-L1125 PolarHBondContact O-N 3.48Å
1122L92Very high89Confident5 Ų566.1 Ų66.13%0.02632%0.32CS..Hα-helixtrans-67.4-40.4-179.5-67.2175000111.9R1118 V1119 L1125 Q1126 D1127 A1130 L1131 E1134R1118-L1122 HydrophobicContact CG-CD1 4.05Å; R1118-L1122 HydrophobicContact CG-CG 4.4Å; R1118-L1122 WeakPolarHBondContact O-CB 3.44Å; R1118-L1122 VanDerWaalsContact O-CG 3.25Å; R1118-L1122 WeakPolarHBondContact O-CG 3.36Å; R1118-L1122 PolarHBondContact O-N 3.45Å; V1119-L1122 PolarHBondContact O-N 3.41Å; L1122-L1125 CarbonylContact O-C 3.57Å; L1122-L1125 PolarHBondContact O-N 3.49Å; L1122-Q1126 PolarHBondContact O-N 3.06Å; L1122-D1127 HydrophobicContact CD2-CB 4.27Å; L1122-D1127 PolarHBondContact O-N 3.28Å; L1122-D1127 VanDerWaalsContact O-N 3.11Å; L1122-A1130 HydrophobicContact CD1-CB 4.1Å; L1122-A1130 HydrophobicContact CD2-CB 3.84Å; L1122-L1131 HydrophobicContact CB-CB 4.3Å; L1122-L1131 HydrophobicContact CB-CD1 4.4Å; L1122-E1134 HydrophobicContact CD1-CB 4.14Å; L1122-E1134 HydrophobicContact CD1-CG 4.4Å
1123C88.6Confident89.1Confident48 Ų4861.4 Ų61.432%0.32430%0.303SS..Hα-helixtrans-58.3-47.4172.8-78.20000111.5V1119 E1120 L1125 Q1126 L1131V1119-C1123 VanDerWaalsContact O-CB 3.3Å; V1119-C1123 WeakPolarHBondContact O-CB 3.42Å; V1119-C1123 PolarHBondContact O-N 3.26Å; V1119-C1123 PolarHBondContact O-SG 2.86Å; E1120-C1123 PolarHBondContact O-N 3.33Å; C1123-L1125 VanDerWaalsContact C-N 3.34Å; C1123-L1125 PolarHBondContact O-N 3.18Å; C1123-Q1126 PolarHBondContact O-N 3.43Å; C1123-Q1126 VanDerWaalsContact O-N 3.13Å; C1123-L1131 WeakPolarHBondContact SG-CD2 3.46Å
1124R89.6Confident89.1Confident107 Ų10756.6 Ų56.640%0.40428%0.281SS..Hα-helixtrans-68.9-30.6178.7-70.8-171.7-175.8-173.85.5113.2L1088 L1093 E1120 T1121 Q1126L1088-R1124 PolarHBondContact O-NH1 3.23Å; L1093-R1124 HydrophobicContact CD1-CB 3.8Å; L1093-R1124 HydrophobicContact CD2-CB 3.82Å; L1093-R1124 HydrophobicContact CG-CB 4.47Å; E1120-R1124 WeakPolarHBondContact O-CG 3.29Å; E1120-R1124 PolarHBondContact O-N 3.14Å; E1120-R1124 IonicContact OE1-CZ 2.92Å; E1120-R1124 IonicContact OE1-NE 3.76Å; E1120-R1124 PolarHBondContact OE1-NE 2.77Å; E1120-R1124 IonicContact OE1-NH1 2.76Å; E1120-R1124 IonicContact OE1-NH2 3.41Å; E1120-R1124 PolarHBondContact OE1-NH2 3.14Å; T1121-R1124 PolarHBondContact O-N 3Å; R1124-Q1126 VanDerWaalsContact C-N 3.25Å
1125L91Very high89Confident47 Ų4760.6 Ų60.625%0.24630%0.301CS..Hα-helixtrans-77.2-8.3172.4-74.7173.5000113.7L1093 R1097 T1121 L1122 C1123 D1127L1093-L1125 HydrophobicContact CB-CD2 3.53Å; L1093-L1125 HydrophobicContact CB-CG 3.89Å; L1093-L1125 HydrophobicContact CD1-CD2 4.04Å; L1093-L1125 HydrophobicContact CD1-CG 4.35Å; L1093-L1125 HydrophobicContact CG-CD2 4.45Å; R1097-L1125 HydrophobicContact CB-CD1 3.99Å; R1097-L1125 HydrophobicContact CG-CD1 4.4Å; T1121-L1125 HydrophobicContact CG2-CD1 4.01Å; T1121-L1125 WeakPolarHBondContact O-CB 3.41Å; T1121-L1125 WeakPolarHBondContact O-CG 3.44Å; T1121-L1125 PolarHBondContact O-N 3.48Å; L1122-L1125 CarbonylContact O-C 3.57Å; L1122-L1125 PolarHBondContact O-N 3.49Å; C1123-L1125 VanDerWaalsContact C-N 3.34Å; C1123-L1125 PolarHBondContact O-N 3.18Å; L1125-D1127 PolarHBondContact O-N 3.22Å
1126Q89.7Confident88.7Confident141 Ų14166.6 Ų66.666%0.65933%0.33SS*.THydrogen-bonded Turntrans56.229.8-173.8-54.21802.200113.2L1122 C1123 R1124 W1128L1122-Q1126 PolarHBondContact O-N 3.06Å; C1123-Q1126 PolarHBondContact O-N 3.43Å; C1123-Q1126 VanDerWaalsContact O-N 3.13Å; R1124-Q1126 VanDerWaalsContact C-N 3.25Å; Q1126-W1128 VanDerWaalsContact C-N 3.29Å; Q1126-W1128 HydrophobicContact CB-CZ2 4.28Å; Q1126-W1128 HydrophobicContact CG-CZ2 4.31Å; Q1126-W1128 VanDerWaalsContact O-CD1 3.27Å; Q1126-W1128 PolarHBondContact O-N 3.43Å; Q1126-W1128 VanDerWaalsContact O-N 3.1Å; Q1126-W1128 PolarHBondContact O-NE1 2.89Å
1127D89.9Confident88.1Confident42 Ų4270.3 Ų70.323%0.22533%0.332CS..  trans-87.170.9175.9-167.1-13.2000110R1097 L1122 L1125 K1129 A1130 L1131R1097-D1127 IonicContact CZ-OD2 2.69Å; R1097-D1127 VanDerWaalsContact CZ-OD2 3.26Å; R1097-D1127 IonicContact NH1-OD2 3.5Å; R1097-D1127 PolarHBondContact NH1-OD2 3.42Å; R1097-D1127 IonicContact NH2-OD2 2.73Å; R1097-D1127 PolarHBondContact NH2-OD2 2.83Å; L1122-D1127 HydrophobicContact CD2-CB 4.27Å; L1122-D1127 PolarHBondContact O-N 3.28Å; L1122-D1127 VanDerWaalsContact O-N 3.11Å; L1125-D1127 PolarHBondContact O-N 3.22Å; D1127-K1129 PolarHBondContact O-N 3.16Å; D1127-A1130 HydrophobicContact CB-CB 4.24Å; D1127-A1130 VanDerWaalsContact CG-CB 3.46Å; D1127-A1130 PolarHBondContact O-N 3.02Å; D1127-A1130 WeakPolarHBondContact OD1-CB 3.43Å; D1127-A1130 PolarHBondContact OD1-N 3.4Å; D1127-L1131 WeakPolarHBondContact O-CB 3.42Å; D1127-L1131 PolarHBondContact O-N 2.86Å
1128W89.6Confident86.8Confident148 Ų14877.2 Ų77.256%0.56137%0.374SS*.Hα-helixtrans-60-32.5-174.1-54111.2000113.2Q1126 L1131 D1132Q1126-W1128 VanDerWaalsContact C-N 3.29Å; Q1126-W1128 HydrophobicContact CB-CZ2 4.28Å; Q1126-W1128 HydrophobicContact CG-CZ2 4.31Å; Q1126-W1128 VanDerWaalsContact O-CD1 3.27Å; Q1126-W1128 PolarHBondContact O-N 3.43Å; Q1126-W1128 VanDerWaalsContact O-N 3.1Å; Q1126-W1128 PolarHBondContact O-NE1 2.89Å; W1128-L1131 HydrophobicContact CE3-CD2 3.73Å; W1128-L1131 HydrophobicContact CZ3-CD2 3.87Å; W1128-L1131 PolarHBondContact O-N 2.97Å; W1128-D1132 PolarHBondContact O-N 2.94Å
1129K90.4Very high86.7Confident172 Ų17279.1 Ų79.175%0.74839%0.385SS*.Hα-helixtrans-66.9-45.2177.6-69.1-177.6-180178.30111.5D1127 L1131 V1133D1127-K1129 PolarHBondContact O-N 3.16Å; K1129-L1131 VanDerWaalsContact C-N 3.32Å; K1129-V1133 WeakPolarHBondContact O-CG2 3.4Å; K1129-V1133 PolarHBondContact O-N 3.28Å
1130A87.7Confident86.5Confident25 Ų2581.6 Ų81.621%0.20740%0.395CS..Hα-helixtrans-68.3-36.3175.700000111.4L1122 D1127 V1133 E1134L1122-A1130 HydrophobicContact CD1-CB 4.1Å; L1122-A1130 HydrophobicContact CD2-CB 3.84Å; D1127-A1130 HydrophobicContact CB-CB 4.24Å; D1127-A1130 VanDerWaalsContact CG-CB 3.46Å; D1127-A1130 PolarHBondContact O-N 3.02Å; D1127-A1130 WeakPolarHBondContact OD1-CB 3.43Å; D1127-A1130 PolarHBondContact OD1-N 3.4Å; A1130-V1133 PolarHBondContact O-N 3.15Å; A1130-E1134 WeakPolarHBondContact O-CB 3.47Å; A1130-E1134 PolarHBondContact O-N 3.02Å
1131L89.5Confident86.3Confident13 Ų1382.1 Ų82.17%0.06840%0.398CS..Hα-helixtrans-61.7-45.9175.3-179.366000111.8V1119 L1122 C1123 D1127 W1128 K1129 V1133 E1134 L1135V1119-L1131 HydrophobicContact CB-CD1 4.28Å; V1119-L1131 HydrophobicContact CG1-CD1 3.88Å; V1119-L1131 HydrophobicContact CG2-CD1 4.2Å; L1122-L1131 HydrophobicContact CB-CB 4.3Å; L1122-L1131 HydrophobicContact CB-CD1 4.4Å; C1123-L1131 WeakPolarHBondContact SG-CD2 3.46Å; D1127-L1131 WeakPolarHBondContact O-CB 3.42Å; D1127-L1131 PolarHBondContact O-N 2.86Å; W1128-L1131 HydrophobicContact CE3-CD2 3.73Å; W1128-L1131 HydrophobicContact CZ3-CD2 3.87Å; W1128-L1131 PolarHBondContact O-N 2.97Å; K1129-L1131 VanDerWaalsContact C-N 3.32Å; L1131-V1133 VanDerWaalsContact C-N 3.31Å; L1131-V1133 PolarHBondContact O-N 3.05Å; L1131-E1134 PolarHBondContact O-N 3.15Å; L1131-E1134 VanDerWaalsContact O-N 3.11Å; L1131-L1135 HydrophobicContact CD1-CD1 4.27Å; L1131-L1135 HydrophobicContact CD1-CG 4.15Å; L1131-L1135 HydrophobicContact CD2-CD1 4.46Å; L1131-L1135 HydrophobicContact CG-CD1 3.95Å; L1131-L1135 HydrophobicContact CG-CG 4.26Å; L1131-L1135 WeakPolarHBondContact O-CG 3.08Å; L1131-L1135 PolarHBondContact O-N 3.3Å
1132D88.2Confident86Confident96 Ų9686.7 Ų86.751%0.51342%0.42SS..Hα-helixtrans-59.1-42.3177.4-78.9-23.6000111.7W1128 E1134 L1135 Q1136W1128-D1132 PolarHBondContact O-N 2.94Å; D1132-E1134 VanDerWaalsContact C-N 3.3Å; D1132-E1134 PolarHBondContact O-N 3.08Å; D1132-L1135 PolarHBondContact O-N 2.87Å; D1132-Q1136 VanDerWaalsContact O-CG 3.32Å; D1132-Q1136 WeakPolarHBondContact O-CG 3.48Å; D1132-Q1136 PolarHBondContact O-N 2.75Å; D1132-Q1136 VanDerWaalsContact O-N 3.09Å
1133V87.4Confident85.6Confident77 Ų7791.8 Ų91.847%0.46745%0.445SS..Hα-helixtrans-63.5-39.1175.9172.10000111.3K1129 A1130 L1131K1129-V1133 WeakPolarHBondContact O-CG2 3.4Å; K1129-V1133 PolarHBondContact O-N 3.28Å; A1130-V1133 PolarHBondContact O-N 3.15Å; L1131-V1133 VanDerWaalsContact C-N 3.31Å; L1131-V1133 PolarHBondContact O-N 3.05Å
1134E84.4Confident85.4Confident4 Ų494.7 Ų94.72%0.01945%0.453CS..Hα-helixtrans-72.1-41.7-179.9-165.353.9-159.600111.3H1115 R1118 V1119 L1122 A1130 L1131 D1132 Q1136 R1137H1115-E1134 PolarHBondContact CE1-O 3.18Å; H1115-E1134 VanDerWaalsContact CE1-O 3.31Å; H1115-E1134 IonicContact CE1-OE1 2.66Å; H1115-E1134 IonicContact CG-OE1 3.9Å; H1115-E1134 IonicContact ND1-OE1 3.38Å; H1115-E1134 PolarHBondContact ND1-OE1 3.15Å; R1118-E1134 HydrophobicContact CG-CG 4.35Å; R1118-E1134 IonicContact CZ-OE2 3.6Å; R1118-E1134 IonicContact NE-OE2 3.43Å; R1118-E1134 IonicContact NH1-OE1 3.77Å; R1118-E1134 IonicContact NH1-OE2 2.81Å; R1118-E1134 PolarHBondContact NH1-OE2 3.24Å; V1119-E1134 HydrophobicContact CG2-CG 4.29Å; L1122-E1134 HydrophobicContact CD1-CB 4.14Å; L1122-E1134 HydrophobicContact CD1-CG 4.4Å; A1130-E1134 WeakPolarHBondContact O-CB 3.47Å; A1130-E1134 PolarHBondContact O-N 3.02Å; L1131-E1134 PolarHBondContact O-N 3.15Å; L1131-E1134 VanDerWaalsContact O-N 3.11Å; D1132-E1134 VanDerWaalsContact C-N 3.3Å; D1132-E1134 PolarHBondContact O-N 3.08Å; E1134-Q1136 VanDerWaalsContact C-N 3.3Å; E1134-Q1136 PolarHBondContact O-N 2.7Å; E1134-R1137 WeakPolarHBondContact O-CB 3.27Å; E1134-R1137 PolarHBondContact O-N 3.41Å; E1134-R1137 VanDerWaalsContact O-N 3.11Å; E1134-R1137 IonicContact OE2-CZ 3.75Å; E1134-R1137 IonicContact OE2-NH1 3.61Å; E1134-R1137 PolarHBondContact OE2-NH1 3.31Å
1135L85.2Confident85.1Confident84 Ų8493.9 Ų93.944%0.4446%0.456SS..Hα-helixtrans-64.4-30.2175.8-71.2174.3000113.1V1119 L1131 D1132 R1137 V1138V1119-L1135 HydrophobicContact CG2-CD2 4.43Å; L1131-L1135 HydrophobicContact CD1-CD1 4.27Å; L1131-L1135 HydrophobicContact CD1-CG 4.15Å; L1131-L1135 HydrophobicContact CD2-CD1 4.46Å; L1131-L1135 HydrophobicContact CG-CD1 3.95Å; L1131-L1135 HydrophobicContact CG-CG 4.26Å; L1131-L1135 WeakPolarHBondContact O-CG 3.08Å; L1131-L1135 PolarHBondContact O-N 3.3Å; D1132-L1135 PolarHBondContact O-N 2.87Å; L1135-R1137 PolarHBondContact O-N 3.21Å; L1135-V1138 PolarHBondContact O-N 2.71Å
1136Q82.5Confident84.7Confident163 Ų16397.5 Ų97.576%0.76247%0.473SS*.THydrogen-bonded Turntrans-71.8-14.2174.5-76.5177.86.400114.1D1132 E1134D1132-Q1136 VanDerWaalsContact O-CG 3.32Å; D1132-Q1136 WeakPolarHBondContact O-CG 3.48Å; D1132-Q1136 PolarHBondContact O-N 2.75Å; D1132-Q1136 VanDerWaalsContact O-N 3.09Å; E1134-Q1136 VanDerWaalsContact C-N 3.3Å; E1134-Q1136 PolarHBondContact O-N 2.7Å
1137R74.7Confident84.2Confident155 Ų15593.8 Ų93.859%0.58546%0.457SS*.THydrogen-bonded Turntrans-83.8-16.3177.2-70.7172.9170.3168.4-5.8113.2E1134 L1135E1134-R1137 WeakPolarHBondContact O-CB 3.27Å; E1134-R1137 PolarHBondContact O-N 3.41Å; E1134-R1137 VanDerWaalsContact O-N 3.11Å; E1134-R1137 IonicContact OE2-CZ 3.75Å; E1134-R1137 IonicContact OE2-NH1 3.61Å; E1134-R1137 PolarHBondContact OE2-NH1 3.31Å; L1135-R1137 PolarHBondContact O-N 3.21Å
1138V61.4Low83.7Confident147 Ų14798.5 Ų98.589%0.89148%0.478SS*.  trans-86.10172.8-171.20000109.4H1115 L1135H1115-V1138 WeakPolarHBondContact CE1-CG2 3.28Å; H1115-V1138 WeakPolarHBondContact NE2-CG2 3.49Å; L1135-V1138 PolarHBondContact O-N 2.71Å

Retrieved 1,138 of 1,138 residues in 385.3 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).