A0A096N6H3_PAPAN Loading...

Interleukin-1 receptor-associated kinase-like 2

Binds to the IL-1 type I receptor following IL-1 engagement, triggering intracellular signaling cascades leading to transcriptional up-regulation and mRNA stabilization.

AlphaFold DB , UniProt , Accession A0A096N6H3, Species PAPAN (Papio anubis, Olive baboon), Gene IRAK2, Length 625 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M47.3Very low70.2Confident206 Ų20673.3 Ų73.3100%1.01537%0.365SS*.  0140.80-162.3-177.5-64.600106.9C3M1-C3 PolarHBondContact O-N 2.9Å
2A56.6Low71.1Confident52 Ų5267.2 Ų67.243%0.4334%0.335SS..PPolyproline II helixtrans-71128.5178.700000109.9Y4 T70A2-Y4 HydrophobicContact CB-CE2 4.41Å; A2-T70 HydrophobicContact CB-CG2 4.36Å
3C76.4Confident71.9Confident38 Ų3864.3 Ų64.326%0.25732%0.321SS..PPolyproline II helixtrans-93.3128.6172.2-169.30000108.9M1 T70 V71M1-C3 PolarHBondContact O-N 2.9Å; C3-T70 CarbonylContact O-C 3.32Å; C3-T70 VanDerWaalsContact O-CA 3.28Å; C3-T70 WeakPolarHBondContact O-CA 3.45Å; C3-T70 WeakPolarHBondContact O-CB 3.4Å; C3-V71 HydrophobicContact CB-CB 4.27Å; C3-V71 HydrophobicContact CB-CG2 4.05Å; C3-V71 PolarHBondContact O-N 2.61Å; C3-V71 VanDerWaalsContact SG-CG2 3.58Å
4Y81Confident72.4Confident58 Ų5862.8 Ų62.823%0.22732%0.315CS..BIsolated β-bridgetrans-98.4152.8-178.7-63.3-81.7000112A2 Y6 Q7 Q68 T70 V71A2-Y4 HydrophobicContact CB-CE2 4.41Å; Y4-Y6 HydrophobicContact CD1-CE1 4.18Å; Y4-Y6 HydrophobicContact CD2-CE1 4.2Å; Y4-Y6 AromaticContact CD2-CZ 3.91Å; Y4-Y6 WeakPolarHBondContact CD2-OH 3.41Å; Y4-Y6 HydrophobicContact CG-CD1 4.48Å; Y4-Y6 AromaticContact CG-CE1 3.63Å; Y4-Y6 HydrophobicContact CG-CE1 3.63Å; Y4-Y6 AromaticContact CG-CZ 3.82Å; Y4-Y6 PolarHBondContact O-N 3.47Å; Y4-Y6 VanDerWaalsContact O-N 3.14Å; Y4-Q7 WeakPolarHBondContact O-CA 3.45Å; Y4-Q7 WeakPolarHBondContact O-CB 3.19Å; Y4-Q7 PolarHBondContact O-N 3.43Å; Y4-Q68 HydrophobicContact CD1-CB 4.28Å; Y4-Q68 VanDerWaalsContact CD1-O 3.29Å; Y4-Q68 WeakPolarHBondContact CD1-O 3.45Å; Y4-Q68 HydrophobicContact CE1-CB 3.96Å; Y4-Q68 VanDerWaalsContact CE1-O 3.29Å; Y4-Q68 WeakPolarHBondContact CE1-O 3.2Å; Y4-T70 HydrophobicContact CD1-CG2 4.1Å; Y4-T70 HydrophobicContact CE1-CG2 4.11Å; Y4-V71 WeakPolarHBondContact O-CG2 3.3Å
5I79.4Confident73Confident4 Ų463 Ų632%0.02132%0.317CS..G310 helixtrans-56.3-36.2-177.1-62.9175.8000111.7Q7 L8 L13 L61 W64 A69 L74I5-Q7 PolarHBondContact O-N 3.14Å; I5-L8 WeakPolarHBondContact O-CB 3.43Å; I5-L8 PolarHBondContact O-N 3.16Å; I5-L13 HydrophobicContact CG2-CD2 4.49Å; I5-L61 HydrophobicContact CG2-CB 4.3Å; I5-W64 HydrophobicContact CD1-CB 4.27Å; I5-W64 HydrophobicContact CD1-CD2 3.78Å; I5-W64 HydrophobicContact CD1-CE3 3.4Å; I5-W64 VanDerWaalsContact CD1-CE3 3.4Å; I5-W64 HydrophobicContact CD1-CG 4.18Å; I5-W64 HydrophobicContact CD1-CZ3 4.03Å; I5-A69 HydrophobicContact CD1-CB 3.66Å; I5-A69 HydrophobicContact CG1-CB 4.35Å; I5-A69 PolarHBondContact N-O 3.46Å; I5-L74 HydrophobicContact CD1-CB 3.92Å; I5-L74 HydrophobicContact CD1-CD2 4.13Å; I5-L74 HydrophobicContact CG1-CB 4.15Å; I5-L74 HydrophobicContact CG1-CD2 4.05Å; I5-L74 HydrophobicContact CG2-CD2 4.27Å
6Y73Confident73.9Confident111 Ų11159.1 Ų59.144%0.43530%0.298SS..G310 helixtrans-70.7-6.5176.966.5-100.1000114.8Y4 G65Y4-Y6 HydrophobicContact CD1-CE1 4.18Å; Y4-Y6 HydrophobicContact CD2-CE1 4.2Å; Y4-Y6 AromaticContact CD2-CZ 3.91Å; Y4-Y6 WeakPolarHBondContact CD2-OH 3.41Å; Y4-Y6 HydrophobicContact CG-CD1 4.48Å; Y4-Y6 AromaticContact CG-CE1 3.63Å; Y4-Y6 HydrophobicContact CG-CE1 3.63Å; Y4-Y6 AromaticContact CG-CZ 3.82Å; Y4-Y6 PolarHBondContact O-N 3.47Å; Y4-Y6 VanDerWaalsContact O-N 3.14Å; Y6-G65 WeakPolarHBondContact CD1-O 3.44Å
7Q73.1Confident74.8Confident92 Ų9255.9 Ų55.943%0.4328%0.282SS..G310 helixtrans-96.6-7.9175.8-60.4176-37.800112.7Y4 I5Y4-Q7 WeakPolarHBondContact O-CA 3.45Å; Y4-Q7 WeakPolarHBondContact O-CB 3.19Å; Y4-Q7 PolarHBondContact O-N 3.43Å; I5-Q7 PolarHBondContact O-N 3.14Å
8L73.9Confident75.4Confident9 Ų962.1 Ų62.15%0.04730%0.301CS..SBendtrans-62.8138.2174.1-72.8171.7000110.6I5 V12 L13 V71 L74 I90 W93I5-L8 WeakPolarHBondContact O-CB 3.43Å; I5-L8 PolarHBondContact O-N 3.16Å; L8-V12 HydrophobicContact CD2-CG1 4.39Å; L8-L13 HydrophobicContact CB-CD1 4.02Å; L8-L13 HydrophobicContact CB-CD2 4.13Å; L8-L13 HydrophobicContact CB-CG 3.77Å; L8-L13 HydrophobicContact CD1-CD2 3.86Å; L8-L13 HydrophobicContact CD1-CG 4.39Å; L8-V71 HydrophobicContact CD1-CG2 4.06Å; L8-V71 HydrophobicContact CD2-CG1 3.94Å; L8-V71 HydrophobicContact CD2-CG2 3.77Å; L8-V71 HydrophobicContact CG-CG2 3.68Å; L8-L74 HydrophobicContact CD1-CD2 4.1Å; L8-I90 HydrophobicContact CD2-CG2 4.25Å; L8-W93 HydrophobicContact CD2-CD2 4.4Å; L8-W93 HydrophobicContact CD2-CE3 3.75Å; L8-W93 HydrophobicContact CD2-CZ3 3.82Å
9P73.7Confident76.1Confident34 Ų3460.7 Ų60.722%0.22130%0.295CS..  trans-58.7144.9174.4-21.631.3000111.6W11 V12 L13 W93P9-W11 HydrophobicContact CB-CG 4.38Å; P9-W11 PolarHBondContact O-N 2.76Å; P9-W11 VanDerWaalsContact O-N 3.13Å; P9-V12 HydrophobicContact CB-CG2 4.08Å; P9-V12 HydrophobicContact CG-CG2 4.02Å; P9-V12 WeakPolarHBondContact O-CB 3.44Å; P9-V12 PolarHBondContact O-N 3.32Å; P9-L13 PolarHBondContact O-N 3.24Å; P9-L13 VanDerWaalsContact O-N 3.11Å; P9-W93 HydrophobicContact CG-CG 4.5Å; P9-W93 HydrophobicContact CG-CZ2 4.34Å
10S66.4Low76.8Confident53 Ų5357.8 Ų57.837%0.37128%0.281SS..Hα-helixtrans-57.5-34-176.364.80000113.2L13 D14S10-L13 PolarHBondContact O-N 3.15Å; S10-D14 VanDerWaalsContact O-CB 3.29Å; S10-D14 WeakPolarHBondContact O-CB 3.46Å; S10-D14 PolarHBondContact O-N 2.93Å
11W71.6Confident77.4Confident149 Ų14957.9 Ų57.956%0.56428%0.283SS*.Hα-helixtrans-68.1-37.9177.463.6-94.2000112.9P9 L13 D14 D15P9-W11 HydrophobicContact CB-CG 4.38Å; P9-W11 PolarHBondContact O-N 2.76Å; P9-W11 VanDerWaalsContact O-N 3.13Å; W11-L13 VanDerWaalsContact C-N 3.34Å; W11-D14 PolarHBondContact O-N 3.45Å; W11-D15 PolarHBondContact O-N 3.44Å
12V81.4Confident79.2Confident0 Ų053.2 Ų53.20%027%0.266CS..Hα-helixtrans-63.6-43.6173.8-176.70000109.7L8 P9 L16 I89 W93L8-V12 HydrophobicContact CD2-CG1 4.39Å; P9-V12 HydrophobicContact CB-CG2 4.08Å; P9-V12 HydrophobicContact CG-CG2 4.02Å; P9-V12 WeakPolarHBondContact O-CB 3.44Å; P9-V12 PolarHBondContact O-N 3.32Å; V12-L16 WeakPolarHBondContact O-CB 3.31Å; V12-L16 PolarHBondContact O-N 2.9Å; V12-I89 HydrophobicContact CG1-CG2 4.17Å; V12-W93 HydrophobicContact CG1-CB 4.46Å; V12-W93 HydrophobicContact CG2-CB 3.9Å; V12-W93 HydrophobicContact CG2-CG 4.02Å
13L81Confident80.7Confident30 Ų3053 Ų5316%0.15726%0.257CS..Hα-helixtrans-67.3-39.3175.7-74.6170.3000112.7I5 L8 P9 S10 W11 L16 C17 L61I5-L13 HydrophobicContact CG2-CD2 4.49Å; L8-L13 HydrophobicContact CB-CD1 4.02Å; L8-L13 HydrophobicContact CB-CD2 4.13Å; L8-L13 HydrophobicContact CB-CG 3.77Å; L8-L13 HydrophobicContact CD1-CD2 3.86Å; L8-L13 HydrophobicContact CD1-CG 4.39Å; P9-L13 PolarHBondContact O-N 3.24Å; P9-L13 VanDerWaalsContact O-N 3.11Å; S10-L13 PolarHBondContact O-N 3.15Å; W11-L13 VanDerWaalsContact C-N 3.34Å; L13-L16 HydrophobicContact CD2-CD2 4.44Å; L13-C17 VanDerWaalsContact O-CB 3.23Å; L13-C17 WeakPolarHBondContact O-CB 3.28Å; L13-C17 PolarHBondContact O-N 3.43Å; L13-C17 PolarHBondContact O-SG 3.37Å; L13-L61 HydrophobicContact CD2-CD1 4.26Å
14D78.9Confident81.3Confident43 Ų4353.6 Ų53.623%0.2326%0.262CS..Hα-helixtrans-67.3-43.3-179.7-69.3-25000110.9S10 W11 R18 R58S10-D14 VanDerWaalsContact O-CB 3.29Å; S10-D14 WeakPolarHBondContact O-CB 3.46Å; S10-D14 PolarHBondContact O-N 2.93Å; W11-D14 PolarHBondContact O-N 3.45Å; D14-R18 WeakPolarHBondContact O-CB 3.44Å; D14-R18 WeakPolarHBondContact O-CD 3.25Å; D14-R18 WeakPolarHBondContact O-CG 3.23Å; D14-R18 PolarHBondContact O-N 3.07Å; D14-R58 IonicContact OD1-CZ 3.77Å; D14-R58 VanDerWaalsContact OD1-CZ 3.23Å; D14-R58 IonicContact OD1-NH1 2.65Å; D14-R58 PolarHBondContact OD1-NH1 2.92Å; D14-R58 IonicContact OD1-NH2 3.69Å; D14-R58 PolarHBondContact OD1-NH2 3.31Å
15D81.6Confident81.4Confident66 Ų6657 Ų5735%0.35328%0.281SS..Hα-helixtrans-73.2-36.1176.5-71.3-27.1000112.5W11 R18 N19 I89W11-D15 PolarHBondContact O-N 3.44Å; D15-R18 PolarHBondContact O-N 3.21Å; D15-R18 IonicContact OD1-CZ 2.62Å; D15-R18 IonicContact OD1-NH1 2.77Å; D15-R18 PolarHBondContact OD1-NH1 3.01Å; D15-N19 PolarHBondContact O-N 3.42Å; D15-I89 HydrophobicContact CB-CG2 4.26Å
16L87.6Confident81.7Confident1 Ų166.8 Ų66.81%0.00532%0.317CS..Hα-helixtrans-59.6-50.3169.9174.767.3000111V12 L13 R18 N19 M20 L61 L74 L78 A86 I89 I90V12-L16 WeakPolarHBondContact O-CB 3.31Å; V12-L16 PolarHBondContact O-N 2.9Å; L13-L16 HydrophobicContact CD2-CD2 4.44Å; L16-R18 PolarHBondContact O-N 3.43Å; L16-N19 PolarHBondContact O-N 3.38Å; L16-N19 VanDerWaalsContact O-N 3.14Å; L16-M20 HydrophobicContact CD1-CG 4Å; L16-M20 HydrophobicContact CG-CG 4.32Å; L16-M20 WeakPolarHBondContact O-CB 3.35Å; L16-M20 VanDerWaalsContact O-CG 3.24Å; L16-M20 WeakPolarHBondContact O-CG 3.42Å; L16-M20 PolarHBondContact O-N 3.41Å; L16-L61 HydrophobicContact CD2-CD1 3.66Å; L16-L61 HydrophobicContact CG-CD1 4.4Å; L16-L74 HydrophobicContact CD2-CD2 4.09Å; L16-L78 HydrophobicContact CD1-CD1 4.12Å; L16-A86 HydrophobicContact CD1-CB 3.53Å; L16-I89 HydrophobicContact CB-CG2 4.22Å; L16-I90 HydrophobicContact CD1-CD1 4.24Å; L16-I90 HydrophobicContact CD1-CG1 4.38Å; L16-I90 HydrophobicContact CD2-CD1 3.9Å; L16-I90 HydrophobicContact CD2-CG1 4.19Å
17C88Confident82.4Confident4 Ų464.7 Ų64.73%0.02731%0.314CS..Hα-helixtrans-62.4-42179.3-69.80000111.3L13 N19 M20 D21 S55L13-C17 VanDerWaalsContact O-CB 3.23Å; L13-C17 WeakPolarHBondContact O-CB 3.28Å; L13-C17 PolarHBondContact O-N 3.43Å; L13-C17 PolarHBondContact O-SG 3.37Å; C17-N19 VanDerWaalsContact C-N 3.28Å; C17-N19 PolarHBondContact O-N 3.43Å; C17-M20 PolarHBondContact O-N 3.01Å; C17-D21 VanDerWaalsContact O-CB 3.25Å; C17-D21 WeakPolarHBondContact O-CB 3.41Å; C17-D21 PolarHBondContact O-N 3.23Å; C17-S55 WeakPolarHBondContact CB-OG 3.47Å
18R86Confident83.3Confident168 Ų16860.7 Ų60.763%0.63429%0.294SS*.Hα-helixtrans-58.7-36.6173.2-76.4163.7175.1174.7-3.5113.2D14 D15 L16 T22D14-R18 WeakPolarHBondContact O-CB 3.44Å; D14-R18 WeakPolarHBondContact O-CD 3.25Å; D14-R18 WeakPolarHBondContact O-CG 3.23Å; D14-R18 PolarHBondContact O-N 3.07Å; D15-R18 PolarHBondContact O-N 3.21Å; D15-R18 IonicContact OD1-CZ 2.62Å; D15-R18 IonicContact OD1-NH1 2.77Å; D15-R18 PolarHBondContact OD1-NH1 3.01Å; L16-R18 PolarHBondContact O-N 3.43Å; R18-T22 WeakPolarHBondContact O-CG2 3.35Å; R18-T22 PolarHBondContact O-OG1 3.49Å
19N89.3Confident83.9Confident35 Ų3563 Ų6319%0.18731%0.306CS..Hα-helixtrans-73.4-45.1176.6-179.8-143.6000111.4D15 L16 C17 T22 R85 A86 I89D15-N19 PolarHBondContact O-N 3.42Å; L16-N19 PolarHBondContact O-N 3.38Å; L16-N19 VanDerWaalsContact O-N 3.14Å; C17-N19 VanDerWaalsContact C-N 3.28Å; C17-N19 PolarHBondContact O-N 3.43Å; N19-T22 PolarHBondContact O-N 2.78Å; N19-T22 PolarHBondContact O-OG1 2.94Å; N19-R85 WeakPolarHBondContact OD1-CB 3.39Å; N19-A86 WeakPolarHBondContact OD1-CA 3.44Å; N19-A86 PolarHBondContact OD1-N 2.85Å; N19-A86 VanDerWaalsContact OD1-N 3.14Å; N19-I89 HydrophobicContact CB-CD1 3.85Å
20M90.2Very high84.6Confident2 Ų266.2 Ų66.21%0.0132%0.318CS..Hα-helixtrans-69.5-38.1-178.1-66.1-67.6-64.700113.3L16 C17 T22 L23 F31 T57 L78 L83 A86L16-M20 HydrophobicContact CD1-CG 4Å; L16-M20 HydrophobicContact CG-CG 4.32Å; L16-M20 WeakPolarHBondContact O-CB 3.35Å; L16-M20 VanDerWaalsContact O-CG 3.24Å; L16-M20 WeakPolarHBondContact O-CG 3.42Å; L16-M20 PolarHBondContact O-N 3.41Å; C17-M20 PolarHBondContact O-N 3.01Å; M20-T22 PolarHBondContact O-N 2.81Å; M20-T22 VanDerWaalsContact O-N 3.13Å; M20-L23 HydrophobicContact CE-CD1 3.75Å; M20-L23 WeakPolarHBondContact O-CB 3.41Å; M20-L23 VanDerWaalsContact O-CG 3.32Å; M20-L23 WeakPolarHBondContact O-CG 3.4Å; M20-L23 PolarHBondContact O-N 2.96Å; M20-L23 VanDerWaalsContact O-N 3.14Å; M20-L23 HydrophobicContact SD-CD1 3.79Å; M20-F31 HydrophobicContact CE-CB 4.17Å; M20-F31 HydrophobicContact CE-CD1 3.35Å; M20-F31 HydrophobicContact CE-CD2 3.77Å; M20-F31 HydrophobicContact CE-CE1 3.55Å; M20-F31 HydrophobicContact CE-CE2 3.95Å; M20-F31 HydrophobicContact CE-CG 3.48Å; M20-F31 VanDerWaalsContact CE-CG 3.48Å; M20-F31 HydrophobicContact CE-CZ 3.85Å; M20-T57 HydrophobicContact CB-CG2 3.5Å; M20-T57 VanDerWaalsContact CB-OG1 3.23Å; M20-T57 WeakPolarHBondContact CB-OG1 3.26Å; M20-T57 HydrophobicContact CG-CG2 3.88Å; M20-L78 HydrophobicContact CE-CD2 3.86Å; M20-L78 HydrophobicContact SD-CD2 3.69Å; M20-L83 HydrophobicContact CE-CD1 3.76Å; M20-L83 HydrophobicContact SD-CD1 4Å; M20-A86 HydrophobicContact CG-CB 4.19Å; M20-A86 HydrophobicContact SD-CB 3.54Å; M20-A86 VanDerWaalsContact SD-CB 3.54Å
21D88.4Confident85.8Confident61 Ų6163.7 Ų63.733%0.32630%0.3SS..THydrogen-bonded Turntrans-71.51.6174.6-62-27.1000112.8C17 S55 I56 T57C17-D21 VanDerWaalsContact O-CB 3.25Å; C17-D21 WeakPolarHBondContact O-CB 3.41Å; C17-D21 PolarHBondContact O-N 3.23Å; D21-S55 PolarHBondContact OD1-OG 3.1Å; D21-S55 WeakPolarHBondContact OD2-CA 3.46Å; D21-S55 WeakPolarHBondContact OD2-CB 3.43Å; D21-S55 PolarHBondContact OD2-OG 3.22Å; D21-I56 WeakPolarHBondContact OD1-CG1 3.24Å; D21-T57 WeakPolarHBondContact OD1-CB 3.5Å; D21-T57 PolarHBondContact OD1-N 2.91Å; D21-T57 PolarHBondContact OD1-OG1 3.46Å
22T86.4Confident86.6Confident107 Ų10756.6 Ų56.666%0.65627%0.273SS*.THydrogen-bonded Turntrans-109.87.9170.359.50000114R18 N19 M20R18-T22 WeakPolarHBondContact O-CG2 3.35Å; R18-T22 PolarHBondContact O-OG1 3.49Å; N19-T22 PolarHBondContact O-N 2.78Å; N19-T22 PolarHBondContact O-OG1 2.94Å; M20-T22 PolarHBondContact O-N 2.81Å; M20-T22 VanDerWaalsContact O-N 3.13Å
23L87.6Confident86.8Confident47 Ų4759.4 Ų59.425%0.24629%0.293CS..SBendtrans-70.6167.5169.5-64.3175.7000111.2M20 D27 W28 L83M20-L23 HydrophobicContact CE-CD1 3.75Å; M20-L23 WeakPolarHBondContact O-CB 3.41Å; M20-L23 VanDerWaalsContact O-CG 3.32Å; M20-L23 WeakPolarHBondContact O-CG 3.4Å; M20-L23 PolarHBondContact O-N 2.96Å; M20-L23 VanDerWaalsContact O-N 3.14Å; M20-L23 HydrophobicContact SD-CD1 3.79Å; L23-D27 HydrophobicContact CB-CB 4.27Å; L23-D27 HydrophobicContact CD1-CB 4.48Å; L23-W28 HydrophobicContact CB-CB 4.36Å; L23-L83 HydrophobicContact CD1-CD1 3.96Å; L23-L83 HydrophobicContact CD1-CD2 3.89Å; L23-L83 HydrophobicContact CD2-CD2 3.82Å
24S88.1Confident87Confident52 Ų5263.6 Ų63.636%0.36431%0.307SS..  trans-70.2162170.6810000110.9W26 D27 W28S24-W26 PolarHBondContact O-N 3.15Å; S24-W26 VanDerWaalsContact O-N 3.12Å; S24-W26 PolarHBondContact OG-N 2.9Å; S24-D27 WeakPolarHBondContact CA-OD2 3.5Å; S24-D27 WeakPolarHBondContact CB-OD2 3.32Å; S24-D27 PolarHBondContact N-OD2 2.92Å; S24-D27 PolarHBondContact O-N 2.81Å; S24-D27 PolarHBondContact OG-N 2.79Å; S24-D27 PolarHBondContact OG-OD1 3.46Å; S24-D27 PolarHBondContact OG-OD2 3.34Å; S24-W28 WeakPolarHBondContact O-CB 3.48Å; S24-W28 PolarHBondContact O-N 2.72Å
25E84.8Confident87.2Confident130 Ų13061.9 Ų61.961%0.60730%0.298SS*.Hα-helixtrans-55.7-29.7175.5-169.2-178.816900112.1M29 K46E25-M29 WeakPolarHBondContact O-CB 3.16Å; E25-M29 WeakPolarHBondContact O-CG 3.45Å; E25-M29 PolarHBondContact O-N 2.82Å; E25-K46 VanDerWaalsContact CD-NZ 3.3Å; E25-K46 WeakPolarHBondContact OE1-CE 2.98Å; E25-K46 IonicContact OE1-NZ 3.02Å; E25-K46 PolarHBondContact OE1-NZ 3.26Å
26W85.9Confident87.1Confident209 Ų20959.3 Ų59.379%0.79229%0.285SS*.Hα-helixtrans-76-56.9178.9-66.3100.8000112S24 W28 M29 E30S24-W26 PolarHBondContact O-N 3.15Å; S24-W26 VanDerWaalsContact O-N 3.12Å; S24-W26 PolarHBondContact OG-N 2.9Å; W26-W28 PolarHBondContact O-N 3.1Å; W26-M29 PolarHBondContact O-N 2.7Å; W26-M29 VanDerWaalsContact O-N 3.07Å; W26-E30 PolarHBondContact O-N 3.32Å
27D87.5Confident86.2Confident67 Ų6765 Ų6536%0.35832%0.319SS..Hα-helixtrans-60.9-36.6-178-22.5-59.1000111.2L23 S24 F31L23-D27 HydrophobicContact CB-CB 4.27Å; L23-D27 HydrophobicContact CD1-CB 4.48Å; S24-D27 WeakPolarHBondContact CA-OD2 3.5Å; S24-D27 WeakPolarHBondContact CB-OD2 3.32Å; S24-D27 PolarHBondContact N-OD2 2.92Å; S24-D27 PolarHBondContact O-N 2.81Å; S24-D27 PolarHBondContact OG-N 2.79Å; S24-D27 PolarHBondContact OG-OD1 3.46Å; S24-D27 PolarHBondContact OG-OD2 3.34Å; D27-F31 WeakPolarHBondContact O-CB 2.87Å; D27-F31 PolarHBondContact O-N 3.39Å
28W91.5Very high85.6Confident7 Ų767.8 Ų67.83%0.02733%0.334CS..Hα-helixtrans-68.3-42.2175.4-168.292000112.4L23 S24 W26 E30 A32 L42 I45 I56 T57 L60L23-W28 HydrophobicContact CB-CB 4.36Å; S24-W28 WeakPolarHBondContact O-CB 3.48Å; S24-W28 PolarHBondContact O-N 2.72Å; W26-W28 PolarHBondContact O-N 3.1Å; W28-E30 VanDerWaalsContact C-N 3.35Å; W28-A32 HydrophobicContact CE3-CB 3.99Å; W28-A32 HydrophobicContact CH2-CB 3.88Å; W28-A32 HydrophobicContact CZ2-CB 4.41Å; W28-A32 HydrophobicContact CZ3-CB 3.66Å; W28-A32 VanDerWaalsContact O-CB 3.23Å; W28-A32 WeakPolarHBondContact O-CB 3.38Å; W28-A32 PolarHBondContact O-N 2.85Å; W28-L42 HydrophobicContact CH2-CD1 4.3Å; W28-L42 HydrophobicContact CZ3-CD1 3.96Å; W28-I45 HydrophobicContact CH2-CG2 4.02Å; W28-I56 HydrophobicContact CD2-CD1 3.76Å; W28-I56 HydrophobicContact CD2-CG1 4.34Å; W28-I56 HydrophobicContact CE3-CD1 4.08Å; W28-I56 HydrophobicContact CG-CD1 4.3Å; W28-I56 HydrophobicContact CH2-CB 4.09Å; W28-I56 HydrophobicContact CH2-CD1 4.19Å; W28-I56 HydrophobicContact CH2-CG1 4.33Å; W28-I56 HydrophobicContact CZ2-CB 3.69Å; W28-I56 HydrophobicContact CZ2-CD1 3.85Å; W28-I56 HydrophobicContact CZ2-CG1 3.67Å; W28-I56 HydrophobicContact CZ3-CD1 4.29Å; W28-T57 PolarHBondContact NE1-OG1 3.45Å; W28-L60 HydrophobicContact CH2-CD2 4.07Å; W28-L60 HydrophobicContact CZ2-CB 4.19Å; W28-L60 HydrophobicContact CZ2-CD2 3.61Å; W28-L60 HydrophobicContact CZ2-CG 4.49Å
29M87.3Confident84.9Confident58 Ų5865.4 Ų65.429%0.28633%0.333SS..Hα-helixtrans-66.7-36.1176.4-79.7-71.3-59.100112.3E25 W26 A32 S33 L42 K46E25-M29 WeakPolarHBondContact O-CB 3.16Å; E25-M29 WeakPolarHBondContact O-CG 3.45Å; E25-M29 PolarHBondContact O-N 2.82Å; W26-M29 PolarHBondContact O-N 2.7Å; W26-M29 VanDerWaalsContact O-N 3.07Å; M29-A32 PolarHBondContact O-N 3.15Å; M29-S33 WeakPolarHBondContact O-CB 3.17Å; M29-S33 PolarHBondContact O-N 3.36Å; M29-L42 HydrophobicContact CE-CD2 3.73Å; M29-L42 HydrophobicContact CE-CG 4.21Å; M29-L42 HydrophobicContact SD-CD1 4.28Å; M29-L42 HydrophobicContact SD-CD2 4.32Å; M29-L42 HydrophobicContact SD-CG 4.32Å; M29-K46 VanDerWaalsContact CG-NZ 3.3Å; M29-K46 HydrophobicContact SD-CD 3.71Å; M29-K46 PolarHBondContact SD-NZ 3.39Å; M29-K46 VanDerWaalsContact SD-NZ 3.4Å
30E87.6Confident84Confident101 Ų10167.8 Ų67.847%0.47235%0.349SS..Hα-helixtrans-61.9-56.3173.7-175.4166.1-146.300109.8W26 W28 A32 S33 Y34 L81W26-E30 PolarHBondContact O-N 3.32Å; W28-E30 VanDerWaalsContact C-N 3.35Å; E30-A32 VanDerWaalsContact C-N 3.27Å; E30-A32 PolarHBondContact O-N 2.97Å; E30-S33 WeakPolarHBondContact O-CB 3.43Å; E30-S33 PolarHBondContact O-N 3.31Å; E30-S33 PolarHBondContact O-OG 2.93Å; E30-Y34 HydrophobicContact CG-CE2 4.07Å; E30-Y34 VanDerWaalsContact O-CD2 3.3Å; E30-Y34 WeakPolarHBondContact O-CD2 3.48Å; E30-L81 HydrophobicContact CG-CD2 3.95Å
31F91.5Very high82.9Confident1 Ų170.1 Ų70.10%0.00436%0.36CS..Hα-helixtrans-50.5-45.9173.2174.1-102.9000112.6M20 D27 S33 Y34 V35 L60 L61 L74 L77 L78 L81 L83M20-F31 HydrophobicContact CE-CB 4.17Å; M20-F31 HydrophobicContact CE-CD1 3.35Å; M20-F31 HydrophobicContact CE-CD2 3.77Å; M20-F31 HydrophobicContact CE-CE1 3.55Å; M20-F31 HydrophobicContact CE-CE2 3.95Å; M20-F31 HydrophobicContact CE-CG 3.48Å; M20-F31 VanDerWaalsContact CE-CG 3.48Å; M20-F31 HydrophobicContact CE-CZ 3.85Å; D27-F31 WeakPolarHBondContact O-CB 2.87Å; D27-F31 PolarHBondContact O-N 3.39Å; F31-S33 VanDerWaalsContact C-N 3.31Å; F31-S33 PolarHBondContact O-N 3.4Å; F31-Y34 PolarHBondContact O-N 3.4Å; F31-V35 HydrophobicContact CE1-CG2 4.43Å; F31-V35 HydrophobicContact CE2-CG2 4.45Å; F31-V35 HydrophobicContact CZ-CG2 4.23Å; F31-V35 WeakPolarHBondContact O-CG2 3.21Å; F31-L60 HydrophobicContact CD1-CD2 3.59Å; F31-L60 HydrophobicContact CE1-CD2 3.53Å; F31-L60 HydrophobicContact CE1-CG 4.42Å; F31-L61 HydrophobicContact CE1-CD2 4.48Å; F31-L61 HydrophobicContact CZ-CD2 4.04Å; F31-L74 HydrophobicContact CE2-CD1 4.24Å; F31-L74 HydrophobicContact CZ-CD1 4.02Å; F31-L77 HydrophobicContact CD2-CD2 3.91Å; F31-L77 HydrophobicContact CD2-CG 4.16Å; F31-L77 HydrophobicContact CE2-CD2 3.72Å; F31-L77 HydrophobicContact CE2-CG 4.15Å; F31-L78 HydrophobicContact CD2-CD2 3.98Å; F31-L78 HydrophobicContact CE2-CD2 3.6Å; F31-L78 HydrophobicContact CE2-CG 4.19Å; F31-L78 HydrophobicContact CZ-CD2 4.32Å; F31-L81 HydrophobicContact CB-CD1 3.95Å; F31-L81 HydrophobicContact CD2-CD1 4.02Å; F31-L83 HydrophobicContact CB-CD1 4.33Å; F31-L83 HydrophobicContact CD2-CD1 4.26Å; F31-L83 HydrophobicContact CG-CD1 4.5Å
32A88.2Confident82.3Confident0 Ų067.6 Ų67.60%035%0.347CS..Hα-helixtrans-66.9-28.4-179.100000113.9W28 M29 E30 V35 I36 L42 L60W28-A32 HydrophobicContact CE3-CB 3.99Å; W28-A32 HydrophobicContact CH2-CB 3.88Å; W28-A32 HydrophobicContact CZ2-CB 4.41Å; W28-A32 HydrophobicContact CZ3-CB 3.66Å; W28-A32 VanDerWaalsContact O-CB 3.23Å; W28-A32 WeakPolarHBondContact O-CB 3.38Å; W28-A32 PolarHBondContact O-N 2.85Å; M29-A32 PolarHBondContact O-N 3.15Å; E30-A32 VanDerWaalsContact C-N 3.27Å; E30-A32 PolarHBondContact O-N 2.97Å; A32-V35 PolarHBondContact O-N 3.04Å; A32-I36 PolarHBondContact O-N 3.36Å; A32-L42 HydrophobicContact CB-CD1 3.5Å; A32-L42 VanDerWaalsContact CB-CD1 3.5Å; A32-L60 HydrophobicContact CB-CD1 4.02Å; A32-L60 HydrophobicContact CB-CD2 3.58Å; A32-L60 HydrophobicContact CB-CG 4.47Å
33S86.6Confident81.7Confident58 Ų5870.7 Ų70.741%0.40635%0.346SS..Hα-helixtrans-68.3-35.617976.30000113.3M29 E30 F31 V35M29-S33 WeakPolarHBondContact O-CB 3.17Å; M29-S33 PolarHBondContact O-N 3.36Å; E30-S33 WeakPolarHBondContact O-CB 3.43Å; E30-S33 PolarHBondContact O-N 3.31Å; E30-S33 PolarHBondContact O-OG 2.93Å; F31-S33 VanDerWaalsContact C-N 3.31Å; F31-S33 PolarHBondContact O-N 3.4Å; S33-V35 VanDerWaalsContact C-N 3.26Å; S33-V35 PolarHBondContact O-N 3.19Å
34Y84.4Confident80.9Confident119 Ų11973.2 Ų73.247%0.46736%0.355SS..Hα-helixtrans-70.2-24.2173.6-71.9-87.5000112.6E30 F31 L77 L81E30-Y34 HydrophobicContact CG-CE2 4.07Å; E30-Y34 VanDerWaalsContact O-CD2 3.3Å; E30-Y34 WeakPolarHBondContact O-CD2 3.48Å; F31-Y34 PolarHBondContact O-N 3.4Å; Y34-L77 HydrophobicContact CD1-CD1 4.11Å; Y34-L77 HydrophobicContact CD2-CD1 4.09Å; Y34-L77 HydrophobicContact CG-CD1 3.7Å; Y34-L81 HydrophobicContact CD2-CD1 4.17Å; Y34-L81 HydrophobicContact CD2-CD2 4.34Å; Y34-L81 HydrophobicContact CE2-CD1 4.48Å; Y34-L81 HydrophobicContact CE2-CD2 3.83Å
35V82.5Confident80.3Confident6 Ų670.8 Ų70.84%0.03634%0.338CS..Hα-helixtrans-94.6-37-174.9176.70000112.4F31 A32 S33 L60 W64 L77F31-V35 HydrophobicContact CE1-CG2 4.43Å; F31-V35 HydrophobicContact CE2-CG2 4.45Å; F31-V35 HydrophobicContact CZ-CG2 4.23Å; F31-V35 WeakPolarHBondContact O-CG2 3.21Å; A32-V35 PolarHBondContact O-N 3.04Å; S33-V35 VanDerWaalsContact C-N 3.26Å; S33-V35 PolarHBondContact O-N 3.19Å; V35-L60 HydrophobicContact CB-CD1 3.87Å; V35-L60 HydrophobicContact CB-CG 4.23Å; V35-L60 HydrophobicContact CG1-CD1 3.62Å; V35-L60 HydrophobicContact CG1-CG 3.86Å; V35-W64 HydrophobicContact CB-CD2 4.37Å; V35-W64 HydrophobicContact CG1-CB 3.59Å; V35-W64 HydrophobicContact CG1-CD2 3.75Å; V35-W64 HydrophobicContact CG1-CE3 4.02Å; V35-W64 HydrophobicContact CG1-CG 3.56Å; V35-W64 HydrophobicContact CG2-CD2 3.93Å; V35-W64 HydrophobicContact CG2-CE3 3.68Å; V35-W64 HydrophobicContact CG2-CH2 4.19Å; V35-W64 HydrophobicContact CG2-CZ2 4.39Å; V35-W64 HydrophobicContact CG2-CZ3 3.81Å; V35-L77 HydrophobicContact CG2-CD2 3.65Å
36I79.1Confident80Confident13 Ų1366.4 Ų66.47%0.06732%0.317CS..  trans-129.8111.4179.3-70.4179.4000110.8A32 D38 Q41 L42 I45 L60 W63A32-I36 PolarHBondContact O-N 3.36Å; I36-D38 HydrophobicContact CG2-CB 4.41Å; I36-D38 WeakPolarHBondContact CG2-O 3.49Å; I36-Q41 HydrophobicContact CG2-CB 3.94Å; I36-L42 HydrophobicContact CG2-CB 4.28Å; I36-I45 HydrophobicContact CD1-CD1 3.32Å; I36-L60 HydrophobicContact CB-CD1 4.34Å; I36-L60 HydrophobicContact CD1-CD1 3.57Å; I36-L60 HydrophobicContact CG1-CD1 3.8Å; I36-W63 HydrophobicContact CD1-CB 3.99Å; I36-W63 HydrophobicContact CD1-CG 4.24Å
37T69.4Low79.4Confident119 Ų11959.5 Ų59.573%0.7330%0.301SS*.  trans-80-11.3175.654.70000114.3
38D76.4Confident78.5Confident64 Ų6457.9 Ų57.934%0.34229%0.291SS..  trans-91.9103.8175.3-179.16000111I36 T40 Q41 L42I36-D38 HydrophobicContact CG2-CB 4.41Å; I36-D38 WeakPolarHBondContact CG2-O 3.49Å; D38-T40 PolarHBondContact O-N 3.5Å; D38-T40 WeakPolarHBondContact OD1-CA 3.44Å; D38-T40 WeakPolarHBondContact OD1-CB 3.4Å; D38-T40 PolarHBondContact OD1-N 2.83Å; D38-T40 PolarHBondContact OD1-OG1 3.02Å; D38-Q41 HydrophobicContact CB-CB 4.45Å; D38-Q41 HydrophobicContact CB-CG 4.14Å; D38-Q41 PolarHBondContact O-N 2.95Å; D38-Q41 WeakPolarHBondContact OD2-CG 3.36Å; D38-L42 PolarHBondContact O-N 3.02Å
39L71.1Confident77.7Confident117 Ų11763 Ų6361%0.61332%0.316SS*.Hα-helixtrans-53.6-17173.5-68.6166.8000113.8R43L39-R43 WeakPolarHBondContact O-CB 3.11Å; L39-R43 WeakPolarHBondContact O-CG 3.19Å; L39-R43 PolarHBondContact O-N 2.87Å; L39-R43 PolarHBondContact O-NE 3.34Å
40T69.9Low76.2Confident86 Ų8670.9 Ų70.953%0.52834%0.342SS..Hα-helixtrans-81.8-46.7175.2-36.80000111.5D38 K44D38-T40 PolarHBondContact O-N 3.5Å; D38-T40 WeakPolarHBondContact OD1-CA 3.44Å; D38-T40 WeakPolarHBondContact OD1-CB 3.4Å; D38-T40 PolarHBondContact OD1-N 2.83Å; D38-T40 PolarHBondContact OD1-OG1 3.02Å; T40-K44 WeakPolarHBondContact O-CB 3.48Å; T40-K44 PolarHBondContact O-N 3.42Å
41Q66.3Low75Confident51 Ų5169.8 Ų69.824%0.23834%0.342CS..Hα-helixtrans-66.3-39173-57.6-50.1-3000111.2I36 D38 K44 I45I36-Q41 HydrophobicContact CG2-CB 3.94Å; D38-Q41 HydrophobicContact CB-CB 4.45Å; D38-Q41 HydrophobicContact CB-CG 4.14Å; D38-Q41 PolarHBondContact O-N 2.95Å; D38-Q41 WeakPolarHBondContact OD2-CG 3.36Å; Q41-K44 WeakPolarHBondContact O-CB 2.81Å; Q41-K44 PolarHBondContact O-N 2.93Å; Q41-K44 VanDerWaalsContact O-N 3.13Å; Q41-I45 WeakPolarHBondContact O-CG1 3.47Å; Q41-I45 PolarHBondContact O-N 2.96Å
42L77.4Confident73.4Confident8 Ų879 Ų794%0.04239%0.385CS..Hα-helixtrans-60.1-48.2177.2-178.253.9000111.6W28 M29 A32 I36 D38 K44 I45 K46W28-L42 HydrophobicContact CH2-CD1 4.3Å; W28-L42 HydrophobicContact CZ3-CD1 3.96Å; M29-L42 HydrophobicContact CE-CD2 3.73Å; M29-L42 HydrophobicContact CE-CG 4.21Å; M29-L42 HydrophobicContact SD-CD1 4.28Å; M29-L42 HydrophobicContact SD-CD2 4.32Å; M29-L42 HydrophobicContact SD-CG 4.32Å; A32-L42 HydrophobicContact CB-CD1 3.5Å; A32-L42 VanDerWaalsContact CB-CD1 3.5Å; I36-L42 HydrophobicContact CG2-CB 4.28Å; D38-L42 PolarHBondContact O-N 3.02Å; L42-K44 VanDerWaalsContact C-N 3.3Å; L42-K44 PolarHBondContact O-N 3.42Å; L42-I45 PolarHBondContact O-N 3.39Å; L42-K46 WeakPolarHBondContact O-CB 3.39Å; L42-K46 PolarHBondContact O-N 3.08Å
43R73.4Confident72Confident171 Ų17182 Ų8265%0.64542%0.416SS*.Hα-helixtrans-62.3-34.7173-79.9179.6-73.7-177.9-2.8112.8L39 S47L39-R43 WeakPolarHBondContact O-CB 3.11Å; L39-R43 WeakPolarHBondContact O-CG 3.19Å; L39-R43 PolarHBondContact O-N 2.87Å; L39-R43 PolarHBondContact O-NE 3.34Å; R43-S47 WeakPolarHBondContact O-CB 3.46Å; R43-S47 PolarHBondContact O-N 3.47Å
44K70.6Confident71.1Confident100 Ų10080.7 Ų80.744%0.43541%0.405SS..Hα-helixtrans-66.6-46.8176.2-176.3-178175.2-174.50111.8T40 Q41 L42 S47 M48T40-K44 WeakPolarHBondContact O-CB 3.48Å; T40-K44 PolarHBondContact O-N 3.42Å; Q41-K44 WeakPolarHBondContact O-CB 2.81Å; Q41-K44 PolarHBondContact O-N 2.93Å; Q41-K44 VanDerWaalsContact O-N 3.13Å; L42-K44 VanDerWaalsContact C-N 3.3Å; L42-K44 PolarHBondContact O-N 3.42Å; K44-S47 WeakPolarHBondContact O-CB 3.37Å; K44-S47 PolarHBondContact O-N 3.08Å; K44-S47 PolarHBondContact O-OG 3.33Å; K44-M48 HydrophobicContact CG-CE 4.39Å
45I75.2Confident71Confident1 Ų176 Ų761%0.00539%0.39CS..Hα-helixtrans-62.3-48.8176.3-68.9163.9000110.1W28 I36 Q41 L42 S47 M48 I56 E59W28-I45 HydrophobicContact CH2-CG2 4.02Å; I36-I45 HydrophobicContact CD1-CD1 3.32Å; Q41-I45 WeakPolarHBondContact O-CG1 3.47Å; Q41-I45 PolarHBondContact O-N 2.96Å; L42-I45 PolarHBondContact O-N 3.39Å; I45-S47 PolarHBondContact O-N 2.91Å; I45-M48 VanDerWaalsContact O-CB 3.24Å; I45-M48 WeakPolarHBondContact O-CB 3.33Å; I45-M48 WeakPolarHBondContact O-CG 3.34Å; I45-M48 PolarHBondContact O-N 3.38Å; I45-I56 HydrophobicContact CG2-CB 4.19Å; I45-I56 HydrophobicContact CG2-CG2 4.49Å; I45-E59 HydrophobicContact CG1-CB 4.24Å; I45-E59 HydrophobicContact CG2-CB 3.99Å
46K77.9Confident71.2Confident38 Ų3876.5 Ų76.517%0.16539%0.392CS..Hα-helixtrans-59.9-33.2177-166.2164.5-174.2170.10112.8E25 M29 L42 M48 E49E25-K46 VanDerWaalsContact CD-NZ 3.3Å; E25-K46 WeakPolarHBondContact OE1-CE 2.98Å; E25-K46 IonicContact OE1-NZ 3.02Å; E25-K46 PolarHBondContact OE1-NZ 3.26Å; M29-K46 VanDerWaalsContact CG-NZ 3.3Å; M29-K46 HydrophobicContact SD-CD 3.71Å; M29-K46 PolarHBondContact SD-NZ 3.39Å; M29-K46 VanDerWaalsContact SD-NZ 3.4Å; L42-K46 WeakPolarHBondContact O-CB 3.39Å; L42-K46 PolarHBondContact O-N 3.08Å; K46-M48 PolarHBondContact O-N 3.06Å; K46-M48 VanDerWaalsContact O-N 3.15Å; K46-E49 WeakPolarHBondContact O-CB 3.44Å; K46-E49 PolarHBondContact O-N 2.88Å; K46-E49 VanDerWaalsContact O-N 3.14Å
47S73.5Confident71.6Confident64 Ų6475.9 Ų75.945%0.44839%0.389SS..Hα-helixtrans-62.5-19.6173.181.20000114.4R43 K44 I45 E49R43-S47 WeakPolarHBondContact O-CB 3.46Å; R43-S47 PolarHBondContact O-N 3.47Å; K44-S47 WeakPolarHBondContact O-CB 3.37Å; K44-S47 PolarHBondContact O-N 3.08Å; K44-S47 PolarHBondContact O-OG 3.33Å; I45-S47 PolarHBondContact O-N 2.91Å; S47-E49 VanDerWaalsContact C-N 3.34Å
48M68.8Low72.3Confident33 Ų3375.2 Ų75.216%0.16337%0.373CS..G310 helixtrans-78.3-15.3176.8-51.5-167.6-168.500113.6K44 I45 K46 R50 V51 V54 E59K44-M48 HydrophobicContact CG-CE 4.39Å; I45-M48 VanDerWaalsContact O-CB 3.24Å; I45-M48 WeakPolarHBondContact O-CB 3.33Å; I45-M48 WeakPolarHBondContact O-CG 3.34Å; I45-M48 PolarHBondContact O-N 3.38Å; K46-M48 PolarHBondContact O-N 3.06Å; K46-M48 VanDerWaalsContact O-N 3.15Å; M48-R50 PolarHBondContact O-N 2.93Å; M48-R50 VanDerWaalsContact O-N 3.17Å; M48-V51 WeakPolarHBondContact O-CA 3.45Å; M48-V51 VanDerWaalsContact O-CB 3.3Å; M48-V51 WeakPolarHBondContact O-CB 3.38Å; M48-V51 PolarHBondContact O-N 3.27Å; M48-V54 HydrophobicContact CB-CG1 4Å; M48-V54 HydrophobicContact SD-CG1 4.44Å; M48-E59 HydrophobicContact SD-CG 3.9Å
49E74.6Confident72.4Confident115 Ų11572.6 Ų72.654%0.53736%0.359SS..G310 helixtrans-53.1-33.2171.2-174.7180-157.800112K46 S47 V51 I56K46-E49 WeakPolarHBondContact O-CB 3.44Å; K46-E49 PolarHBondContact O-N 2.88Å; K46-E49 VanDerWaalsContact O-N 3.14Å; S47-E49 VanDerWaalsContact C-N 3.34Å; E49-V51 PolarHBondContact O-N 2.79Å; E49-I56 HydrophobicContact CB-CG2 3.96Å
50R55.6Low73Confident224 Ų22467 Ų6785%0.84533%0.329SS*.G310 helixtrans-72.6-4.7176.3-57.9177.9-176.6172.2-0.2113.6M48M48-R50 PolarHBondContact O-N 2.93Å; M48-R50 VanDerWaalsContact O-N 3.17Å
51V63.5Low73.7Confident77 Ų7763.1 Ų63.147%0.46731%0.306SS..SBendtrans-102.9100.4178.8-173.10000108.7M48 E49 G53 V54M48-V51 WeakPolarHBondContact O-CA 3.45Å; M48-V51 VanDerWaalsContact O-CB 3.3Å; M48-V51 WeakPolarHBondContact O-CB 3.38Å; M48-V51 PolarHBondContact O-N 3.27Å; E49-V51 PolarHBondContact O-N 2.79Å; V51-G53 PolarHBondContact O-N 2.81Å; V51-G53 VanDerWaalsContact O-N 3.11Å; V51-V54 HydrophobicContact CB-CB 4.48Å; V51-V54 HydrophobicContact CB-CG2 3.91Å; V51-V54 HydrophobicContact CG1-CG2 3.76Å; V51-V54 PolarHBondContact O-N 3.38Å
52Q56.4Low74Confident196 Ų19664.1 Ų64.192%0.91631%0.307SS*.THydrogen-bonded Turntrans-57.3117-170.8-160.8170.523.100112.5
53G59.4Low73.6Confident62 Ų6267.3 Ų67.364%0.63932%0.319SS*.THydrogen-bonded Turntrans98.94.3-178.200000115.8V51V51-G53 PolarHBondContact O-N 2.81Å; V51-G53 VanDerWaalsContact O-N 3.11Å
54V67.9Low73.9Confident31 Ų3160.9 Ų60.919%0.18829%0.294CS..  trans-91.2134.8167.6-178.10000109.8M48 V51 E59M48-V54 HydrophobicContact CB-CG1 4Å; M48-V54 HydrophobicContact SD-CG1 4.44Å; V51-V54 HydrophobicContact CB-CB 4.48Å; V51-V54 HydrophobicContact CB-CG2 3.91Å; V51-V54 HydrophobicContact CG1-CG2 3.76Å; V51-V54 PolarHBondContact O-N 3.38Å; V54-E59 HydrophobicContact CG1-CG 4.39Å
55S82.6Confident74.1Confident19 Ų1956.3 Ų56.313%0.13328%0.275CS..  trans-92.8120.2172.9166.60000109.8C17 D21 R58 E59C17-S55 WeakPolarHBondContact CB-OG 3.47Å; D21-S55 PolarHBondContact OD1-OG 3.1Å; D21-S55 WeakPolarHBondContact OD2-CA 3.46Å; D21-S55 WeakPolarHBondContact OD2-CB 3.43Å; D21-S55 PolarHBondContact OD2-OG 3.22Å; S55-R58 PolarHBondContact O-N 2.95Å; S55-R58 WeakPolarHBondContact OG-CB 3.42Å; S55-R58 PolarHBondContact OG-N 3.24Å; S55-E59 PolarHBondContact O-N 3.43Å
56I85.4Confident73.7Confident17 Ų1761.1 Ų61.19%0.08730%0.299CS..Hα-helixtrans-69.5-36.1177.654.6174.5000111.2D21 W28 I45 E49 R58 E59 L60D21-I56 WeakPolarHBondContact OD1-CG1 3.24Å; W28-I56 HydrophobicContact CD2-CD1 3.76Å; W28-I56 HydrophobicContact CD2-CG1 4.34Å; W28-I56 HydrophobicContact CE3-CD1 4.08Å; W28-I56 HydrophobicContact CG-CD1 4.3Å; W28-I56 HydrophobicContact CH2-CB 4.09Å; W28-I56 HydrophobicContact CH2-CD1 4.19Å; W28-I56 HydrophobicContact CH2-CG1 4.33Å; W28-I56 HydrophobicContact CZ2-CB 3.69Å; W28-I56 HydrophobicContact CZ2-CD1 3.85Å; W28-I56 HydrophobicContact CZ2-CG1 3.67Å; W28-I56 HydrophobicContact CZ3-CD1 4.29Å; I45-I56 HydrophobicContact CG2-CB 4.19Å; I45-I56 HydrophobicContact CG2-CG2 4.49Å; E49-I56 HydrophobicContact CB-CG2 3.96Å; I56-R58 VanDerWaalsContact C-N 3.33Å; I56-R58 PolarHBondContact O-N 2.94Å; I56-E59 PolarHBondContact O-N 3.35Å; I56-L60 WeakPolarHBondContact O-CB 3.26Å; I56-L60 PolarHBondContact O-N 3.21Å; I56-L60 VanDerWaalsContact O-N 3.11Å
57T88.3Confident73.4Confident0 Ų067.3 Ų67.30%032%0.321CS..Hα-helixtrans-62.6-39.4173-530000111.6M20 D21 W28 E59 L60 L61M20-T57 HydrophobicContact CB-CG2 3.5Å; M20-T57 VanDerWaalsContact CB-OG1 3.23Å; M20-T57 WeakPolarHBondContact CB-OG1 3.26Å; M20-T57 HydrophobicContact CG-CG2 3.88Å; D21-T57 WeakPolarHBondContact OD1-CB 3.5Å; D21-T57 PolarHBondContact OD1-N 2.91Å; D21-T57 PolarHBondContact OD1-OG1 3.46Å; W28-T57 PolarHBondContact NE1-OG1 3.45Å; T57-E59 PolarHBondContact O-N 2.88Å; T57-L60 WeakPolarHBondContact O-CB 3.31Å; T57-L60 PolarHBondContact O-N 2.94Å; T57-L61 HydrophobicContact CG2-CD1 3.81Å; T57-L61 HydrophobicContact CG2-CG 4.05Å; T57-L61 WeakPolarHBondContact O-CB 3.49Å; T57-L61 WeakPolarHBondContact O-CG 3.4Å; T57-L61 PolarHBondContact O-N 3.23Å
58R84.4Confident73.3Confident106 Ų10670.5 Ų70.540%0.433%0.329SS..Hα-helixtrans-62.6-45.4-179.8-165.6-166.8-15296.49.4112.2D14 S55 I56 W62D14-R58 IonicContact OD1-CZ 3.77Å; D14-R58 VanDerWaalsContact OD1-CZ 3.23Å; D14-R58 IonicContact OD1-NH1 2.65Å; D14-R58 PolarHBondContact OD1-NH1 2.92Å; D14-R58 IonicContact OD1-NH2 3.69Å; D14-R58 PolarHBondContact OD1-NH2 3.31Å; S55-R58 PolarHBondContact O-N 2.95Å; S55-R58 WeakPolarHBondContact OG-CB 3.42Å; S55-R58 PolarHBondContact OG-N 3.24Å; I56-R58 VanDerWaalsContact C-N 3.33Å; I56-R58 PolarHBondContact O-N 2.94Å; R58-W62 VanDerWaalsContact O-CB 3.3Å; R58-W62 WeakPolarHBondContact O-CB 3.41Å; R58-W62 PolarHBondContact O-N 3.19Å
59E77.9Confident73.8Confident8 Ų869.1 Ų69.14%0.03732%0.323CS..Hα-helixtrans-61.3-46.9175.4-71.7-75.3140.900110.6I45 M48 V54 S55 I56 T57 L61 W62 W63 R388I45-E59 HydrophobicContact CG1-CB 4.24Å; I45-E59 HydrophobicContact CG2-CB 3.99Å; M48-E59 HydrophobicContact SD-CG 3.9Å; V54-E59 HydrophobicContact CG1-CG 4.39Å; S55-E59 PolarHBondContact O-N 3.43Å; I56-E59 PolarHBondContact O-N 3.35Å; T57-E59 PolarHBondContact O-N 2.88Å; E59-L61 PolarHBondContact O-N 3.48Å; E59-W62 WeakPolarHBondContact O-CB 3.36Å; E59-W62 PolarHBondContact O-N 2.91Å; E59-W63 VanDerWaalsContact O-CD1 3.24Å; E59-W63 PolarHBondContact O-N 3.41Å; E59-R388 WeakPolarHBondContact OE2-CD 3.38Å; E59-R388 WeakPolarHBondContact OE2-CG 3.48Å
60L84Confident74.4Confident0 Ų064.9 Ų64.90%031%0.305CS..Hα-helixtrans-57.6-49178.1-179.666000112.6W28 F31 A32 V35 I36 I56 T57 W63 W64W28-L60 HydrophobicContact CH2-CD2 4.07Å; W28-L60 HydrophobicContact CZ2-CB 4.19Å; W28-L60 HydrophobicContact CZ2-CD2 3.61Å; W28-L60 HydrophobicContact CZ2-CG 4.49Å; F31-L60 HydrophobicContact CD1-CD2 3.59Å; F31-L60 HydrophobicContact CE1-CD2 3.53Å; F31-L60 HydrophobicContact CE1-CG 4.42Å; A32-L60 HydrophobicContact CB-CD1 4.02Å; A32-L60 HydrophobicContact CB-CD2 3.58Å; A32-L60 HydrophobicContact CB-CG 4.47Å; V35-L60 HydrophobicContact CB-CD1 3.87Å; V35-L60 HydrophobicContact CB-CG 4.23Å; V35-L60 HydrophobicContact CG1-CD1 3.62Å; V35-L60 HydrophobicContact CG1-CG 3.86Å; I36-L60 HydrophobicContact CB-CD1 4.34Å; I36-L60 HydrophobicContact CD1-CD1 3.57Å; I36-L60 HydrophobicContact CG1-CD1 3.8Å; I56-L60 WeakPolarHBondContact O-CB 3.26Å; I56-L60 PolarHBondContact O-N 3.21Å; I56-L60 VanDerWaalsContact O-N 3.11Å; T57-L60 WeakPolarHBondContact O-CB 3.31Å; T57-L60 PolarHBondContact O-N 2.94Å; L60-W63 PolarHBondContact O-N 3.14Å; L60-W64 PolarHBondContact O-N 3.48Å; L60-W64 VanDerWaalsContact O-N 3.12Å
61L83.8Confident75.8Confident5 Ų554.9 Ų54.93%0.02627%0.269CS..Hα-helixtrans-67.2-33.3177.2-70.3178.5000112.7I5 L13 L16 F31 T57 E59 W64 G65 L74I5-L61 HydrophobicContact CG2-CB 4.3Å; L13-L61 HydrophobicContact CD2-CD1 4.26Å; L16-L61 HydrophobicContact CD2-CD1 3.66Å; L16-L61 HydrophobicContact CG-CD1 4.4Å; F31-L61 HydrophobicContact CE1-CD2 4.48Å; F31-L61 HydrophobicContact CZ-CD2 4.04Å; T57-L61 HydrophobicContact CG2-CD1 3.81Å; T57-L61 HydrophobicContact CG2-CG 4.05Å; T57-L61 WeakPolarHBondContact O-CB 3.49Å; T57-L61 WeakPolarHBondContact O-CG 3.4Å; T57-L61 PolarHBondContact O-N 3.23Å; E59-L61 PolarHBondContact O-N 3.48Å; L61-W64 HydrophobicContact CD2-CE3 4.18Å; L61-W64 PolarHBondContact O-N 3.16Å; L61-G65 PolarHBondContact O-N 3.48Å; L61-L74 HydrophobicContact CD2-CD1 3.63Å; L61-L74 HydrophobicContact CD2-CD2 4.14Å
62W73.4Confident76.9Confident72 Ų7256.8 Ų56.827%0.27327%0.272SS..Hα-helixtrans-64-47174-179.197.3000111.1R58 E59 W64 G65 M66R58-W62 VanDerWaalsContact O-CB 3.3Å; R58-W62 WeakPolarHBondContact O-CB 3.41Å; R58-W62 PolarHBondContact O-N 3.19Å; E59-W62 WeakPolarHBondContact O-CB 3.36Å; E59-W62 PolarHBondContact O-N 2.91Å; W62-W64 VanDerWaalsContact C-N 3.27Å; W62-W64 PolarHBondContact O-N 3.27Å; W62-G65 PolarHBondContact O-N 3.28Å; W62-M66 HydrophobicContact CD2-CG 4.14Å; W62-M66 HydrophobicContact CE3-CG 4.33Å; W62-M66 HydrophobicContact CH2-CG 4.23Å; W62-M66 HydrophobicContact CZ2-CE 4.08Å; W62-M66 HydrophobicContact CZ2-CG 4.06Å; W62-M66 HydrophobicContact CZ3-CG 4.37Å; W62-M66 WeakPolarHBondContact O-CG 3.25Å; W62-M66 PolarHBondContact O-N 3.28Å
63W69.4Low78.5Confident74 Ų7451.9 Ų51.928%0.2825%0.25SC..Hα-helixtrans-59.5-37174.9-85.998.8000112.2I36 E59 L60 R67I36-W63 HydrophobicContact CD1-CB 3.99Å; I36-W63 HydrophobicContact CD1-CG 4.24Å; E59-W63 VanDerWaalsContact O-CD1 3.24Å; E59-W63 PolarHBondContact O-N 3.41Å; L60-W63 PolarHBondContact O-N 3.14Å; W63-R67 WeakPolarHBondContact O-CG 3.36Å
64W79.5Confident79.9Confident37 Ų3749 Ų4914%0.1422%0.219CC..Hα-helixtrans-71-45.8176.5-153.120.1000112.3I5 V35 L60 L61 W62 M66 R67 A69 Q73 L74 L77I5-W64 HydrophobicContact CD1-CB 4.27Å; I5-W64 HydrophobicContact CD1-CD2 3.78Å; I5-W64 HydrophobicContact CD1-CE3 3.4Å; I5-W64 VanDerWaalsContact CD1-CE3 3.4Å; I5-W64 HydrophobicContact CD1-CG 4.18Å; I5-W64 HydrophobicContact CD1-CZ3 4.03Å; V35-W64 HydrophobicContact CB-CD2 4.37Å; V35-W64 HydrophobicContact CG1-CB 3.59Å; V35-W64 HydrophobicContact CG1-CD2 3.75Å; V35-W64 HydrophobicContact CG1-CE3 4.02Å; V35-W64 HydrophobicContact CG1-CG 3.56Å; V35-W64 HydrophobicContact CG2-CD2 3.93Å; V35-W64 HydrophobicContact CG2-CE3 3.68Å; V35-W64 HydrophobicContact CG2-CH2 4.19Å; V35-W64 HydrophobicContact CG2-CZ2 4.39Å; V35-W64 HydrophobicContact CG2-CZ3 3.81Å; L60-W64 PolarHBondContact O-N 3.48Å; L60-W64 VanDerWaalsContact O-N 3.12Å; L61-W64 HydrophobicContact CD2-CE3 4.18Å; L61-W64 PolarHBondContact O-N 3.16Å; W62-W64 VanDerWaalsContact C-N 3.27Å; W62-W64 PolarHBondContact O-N 3.27Å; W64-M66 VanDerWaalsContact C-N 3.32Å; W64-M66 PolarHBondContact O-N 2.97Å; W64-R67 CarbonylContact O-C 3.57Å; W64-R67 WeakPolarHBondContact O-CA 3.4Å; W64-R67 WeakPolarHBondContact O-CB 3.35Å; W64-R67 PolarHBondContact O-N 2.88Å; W64-A69 HydrophobicContact CB-CB 4.15Å; W64-A69 HydrophobicContact CD2-CB 3.69Å; W64-A69 HydrophobicContact CG-CB 3.45Å; W64-A69 VanDerWaalsContact CG-CB 3.45Å; W64-A69 VanDerWaalsContact O-CB 3.23Å; W64-A69 WeakPolarHBondContact O-CB 3.32Å; W64-A69 PolarHBondContact O-N 3.03Å; W64-Q73 HydrophobicContact CH2-CB 4.45Å; W64-Q73 HydrophobicContact CZ2-CB 4.29Å; W64-L74 HydrophobicContact CE3-CD1 4.35Å; W64-L74 HydrophobicContact CH2-CB 4.47Å; W64-L74 HydrophobicContact CZ3-CB 3.94Å; W64-L74 HydrophobicContact CZ3-CD1 3.73Å; W64-L74 HydrophobicContact CZ3-CG 4.42Å; W64-L77 HydrophobicContact CH2-CB 4.03Å; W64-L77 HydrophobicContact CH2-CD2 3.5Å; W64-L77 HydrophobicContact CH2-CG 4.42Å; W64-L77 HydrophobicContact CZ2-CD2 4.27Å; W64-L77 HydrophobicContact CZ3-CD2 3.89Å
65G75.1Confident81Confident3 Ų347.9 Ų47.93%0.03121%0.213CC..Hα-helixtrans-59.8-38.7177.900000113.1Y6 L61 W62 R67 Q68Y6-G65 WeakPolarHBondContact CD1-O 3.44Å; L61-G65 PolarHBondContact O-N 3.48Å; W62-G65 PolarHBondContact O-N 3.28Å; G65-R67 PolarHBondContact O-N 3.31Å; G65-Q68 WeakPolarHBondContact O-CA 3.38Å; G65-Q68 PolarHBondContact O-N 2.94Å
66M66.4Low81.4Confident102 Ų10250.9 Ų50.950%0.50223%0.228SC..Hα-helixtrans-68.7-17.9175.2-65.9-58.8165.100113.5W62 W64 Q68W62-M66 HydrophobicContact CD2-CG 4.14Å; W62-M66 HydrophobicContact CE3-CG 4.33Å; W62-M66 HydrophobicContact CH2-CG 4.23Å; W62-M66 HydrophobicContact CZ2-CE 4.08Å; W62-M66 HydrophobicContact CZ2-CG 4.06Å; W62-M66 HydrophobicContact CZ3-CG 4.37Å; W62-M66 WeakPolarHBondContact O-CG 3.25Å; W62-M66 PolarHBondContact O-N 3.28Å; W64-M66 VanDerWaalsContact C-N 3.32Å; W64-M66 PolarHBondContact O-N 2.97Å; M66-Q68 PolarHBondContact O-N 3.19Å
67R71.1Confident81.7Confident169 Ų16950.9 Ų50.964%0.63823%0.227SC*.THydrogen-bonded Turntrans-89.519.3168.7-61.6177.473.9176.14.3112.6W63 W64 G65 A69W63-R67 WeakPolarHBondContact O-CG 3.36Å; W64-R67 CarbonylContact O-C 3.57Å; W64-R67 WeakPolarHBondContact O-CA 3.4Å; W64-R67 WeakPolarHBondContact O-CB 3.35Å; W64-R67 PolarHBondContact O-N 2.88Å; G65-R67 PolarHBondContact O-N 3.31Å; R67-A69 VanDerWaalsContact C-N 3.29Å; R67-A69 PolarHBondContact O-N 3.47Å
68Q72.1Confident81.9Confident131 Ų13150.9 Ų50.961%0.61223%0.227SC*.THydrogen-bonded Turntrans60.330.2-179-53.3-17429.300114.6Y4 G65 M66Y4-Q68 HydrophobicContact CD1-CB 4.28Å; Y4-Q68 VanDerWaalsContact CD1-O 3.29Å; Y4-Q68 WeakPolarHBondContact CD1-O 3.45Å; Y4-Q68 HydrophobicContact CE1-CB 3.96Å; Y4-Q68 VanDerWaalsContact CE1-O 3.29Å; Y4-Q68 WeakPolarHBondContact CE1-O 3.2Å; G65-Q68 WeakPolarHBondContact O-CA 3.38Å; G65-Q68 PolarHBondContact O-N 2.94Å; M66-Q68 PolarHBondContact O-N 3.19Å
69A79.1Confident82.2Confident4 Ų448.1 Ų48.13%0.03322%0.224CC..  trans-65.4141.217300000112.2I5 W64 R67I5-A69 HydrophobicContact CD1-CB 3.66Å; I5-A69 HydrophobicContact CG1-CB 4.35Å; I5-A69 PolarHBondContact N-O 3.46Å; W64-A69 HydrophobicContact CB-CB 4.15Å; W64-A69 HydrophobicContact CD2-CB 3.69Å; W64-A69 HydrophobicContact CG-CB 3.45Å; W64-A69 VanDerWaalsContact CG-CB 3.45Å; W64-A69 VanDerWaalsContact O-CB 3.23Å; W64-A69 WeakPolarHBondContact O-CB 3.32Å; W64-A69 PolarHBondContact O-N 3.03Å; R67-A69 VanDerWaalsContact C-N 3.29Å; R67-A69 PolarHBondContact O-N 3.47Å
70T86.6Confident82.9Confident26 Ų2653.6 Ų53.616%0.1625%0.249CC..BIsolated β-bridgetrans-92.6155.2-177.362.80000112.9A2 C3 Y4 Q72 Q73 L74A2-T70 HydrophobicContact CB-CG2 4.36Å; C3-T70 CarbonylContact O-C 3.32Å; C3-T70 VanDerWaalsContact O-CA 3.28Å; C3-T70 WeakPolarHBondContact O-CA 3.45Å; C3-T70 WeakPolarHBondContact O-CB 3.4Å; Y4-T70 HydrophobicContact CD1-CG2 4.1Å; Y4-T70 HydrophobicContact CE1-CG2 4.11Å; T70-Q72 PolarHBondContact O-N 3.41Å; T70-Q73 PolarHBondContact O-N 3.4Å; T70-Q73 VanDerWaalsContact OG1-CG 3.29Å; T70-Q73 WeakPolarHBondContact OG1-CG 3.43Å; T70-Q73 PolarHBondContact OG1-N 2.99Å; T70-Q73 VanDerWaalsContact OG1-N 3.15Å; T70-Q73 PolarHBondContact OG1-OE1 3.43Å; T70-L74 PolarHBondContact O-N 3.28Å; T70-L74 VanDerWaalsContact O-N 3.08Å
71V86Confident83.3Confident13 Ų1354.9 Ų54.98%0.07926%0.256CS..Hα-helixtrans-59.5-33170.5179.70000110.9C3 Y4 L8 L74 V75 I90C3-V71 HydrophobicContact CB-CB 4.27Å; C3-V71 HydrophobicContact CB-CG2 4.05Å; C3-V71 PolarHBondContact O-N 2.61Å; C3-V71 VanDerWaalsContact SG-CG2 3.58Å; Y4-V71 WeakPolarHBondContact O-CG2 3.3Å; L8-V71 HydrophobicContact CD1-CG2 4.06Å; L8-V71 HydrophobicContact CD2-CG1 3.94Å; L8-V71 HydrophobicContact CD2-CG2 3.77Å; L8-V71 HydrophobicContact CG-CG2 3.68Å; V71-L74 PolarHBondContact O-N 2.83Å; V71-V75 WeakPolarHBondContact O-CG2 3.17Å; V71-V75 PolarHBondContact O-N 3.04Å; V71-I90 HydrophobicContact CG1-CG2 3.42Å; V71-I90 VanDerWaalsContact CG1-CG2 3.42Å
72Q86.3Confident83.7Confident117 Ų11761.3 Ų61.355%0.54729%0.286SS..Hα-helixtrans-64-51.1175-168.161.754.400111T70 L74 V75 D76T70-Q72 PolarHBondContact O-N 3.41Å; Q72-L74 PolarHBondContact O-N 3.12Å; Q72-V75 PolarHBondContact O-N 3.46Å; Q72-D76 PolarHBondContact NE2-OD1 3.12Å; Q72-D76 WeakPolarHBondContact O-CB 3.5Å; Q72-D76 PolarHBondContact O-N 3.22Å
73Q89.1Confident84.5Confident93 Ų9359 Ų5944%0.43528%0.279SS..Hα-helixtrans-58.4-34.4176.3-72.9161.7-57.100113W64 T70 L77W64-Q73 HydrophobicContact CH2-CB 4.45Å; W64-Q73 HydrophobicContact CZ2-CB 4.29Å; T70-Q73 PolarHBondContact O-N 3.4Å; T70-Q73 VanDerWaalsContact OG1-CG 3.29Å; T70-Q73 WeakPolarHBondContact OG1-CG 3.43Å; T70-Q73 PolarHBondContact OG1-N 2.99Å; T70-Q73 VanDerWaalsContact OG1-N 3.15Å; T70-Q73 PolarHBondContact OG1-OE1 3.43Å; Q73-L77 VanDerWaalsContact O-CB 3.31Å; Q73-L77 WeakPolarHBondContact O-CB 3.39Å; Q73-L77 PolarHBondContact O-N 3.45Å
74L90.2Very high85.5Confident1 Ų161.4 Ų61.41%0.00529%0.289CS..Hα-helixtrans-66.8-46.2173.2173.759.7000111.9I5 L8 L16 F31 L61 W64 T70 V71 Q72 L78 I90I5-L74 HydrophobicContact CD1-CB 3.92Å; I5-L74 HydrophobicContact CD1-CD2 4.13Å; I5-L74 HydrophobicContact CG1-CB 4.15Å; I5-L74 HydrophobicContact CG1-CD2 4.05Å; I5-L74 HydrophobicContact CG2-CD2 4.27Å; L8-L74 HydrophobicContact CD1-CD2 4.1Å; L16-L74 HydrophobicContact CD2-CD2 4.09Å; F31-L74 HydrophobicContact CE2-CD1 4.24Å; F31-L74 HydrophobicContact CZ-CD1 4.02Å; L61-L74 HydrophobicContact CD2-CD1 3.63Å; L61-L74 HydrophobicContact CD2-CD2 4.14Å; W64-L74 HydrophobicContact CE3-CD1 4.35Å; W64-L74 HydrophobicContact CH2-CB 4.47Å; W64-L74 HydrophobicContact CZ3-CB 3.94Å; W64-L74 HydrophobicContact CZ3-CD1 3.73Å; W64-L74 HydrophobicContact CZ3-CG 4.42Å; T70-L74 PolarHBondContact O-N 3.28Å; T70-L74 VanDerWaalsContact O-N 3.08Å; V71-L74 PolarHBondContact O-N 2.83Å; Q72-L74 PolarHBondContact O-N 3.12Å; L74-L78 HydrophobicContact CD1-CD1 3.73Å; L74-L78 HydrophobicContact CD1-CG 4.07Å; L74-L78 HydrophobicContact CG-CD1 3.98Å; L74-L78 WeakPolarHBondContact O-CB 3.44Å; L74-L78 WeakPolarHBondContact O-CD1 3.32Å; L74-L78 WeakPolarHBondContact O-CG 3.3Å; L74-L78 PolarHBondContact O-N 3Å; L74-I90 HydrophobicContact CD2-CD1 3.56Å; L74-I90 HydrophobicContact CG-CD1 3.62Å
75V89.9Confident85.8Confident9 Ų969.3 Ų69.36%0.05532%0.319CS..Hα-helixtrans-63.8-43.7175.4169.70000111.3V71 Q72 L77 L78 C79 I90 L91V71-V75 WeakPolarHBondContact O-CG2 3.17Å; V71-V75 PolarHBondContact O-N 3.04Å; Q72-V75 PolarHBondContact O-N 3.46Å; V75-L77 PolarHBondContact O-N 3.23Å; V75-L78 PolarHBondContact O-N 3.45Å; V75-C79 WeakPolarHBondContact O-CB 3.33Å; V75-C79 PolarHBondContact O-N 3.4Å; V75-C79 PolarHBondContact O-SG 2.91Å; V75-C79 VanDerWaalsContact O-SG 3.35Å; V75-I90 HydrophobicContact CG2-CB 3.96Å; V75-I90 HydrophobicContact CG2-CD1 4.15Å; V75-I90 HydrophobicContact CG2-CG2 3.62Å; V75-L91 HydrophobicContact CG1-CD1 4.25Å; V75-L91 HydrophobicContact CG1-CD2 4.11Å; V75-L91 HydrophobicContact CG1-CG 4.19Å
76D90.8Very high86.5Confident82 Ų8269.1 Ų69.144%0.43932%0.317SS..Hα-helixtrans-61-44.1179.3-61.1-22.6000110.8Q72 C79 H80Q72-D76 PolarHBondContact NE2-OD1 3.12Å; Q72-D76 WeakPolarHBondContact O-CB 3.5Å; Q72-D76 PolarHBondContact O-N 3.22Å; D76-C79 PolarHBondContact O-N 3.32Å; D76-H80 WeakPolarHBondContact O-CB 3.44Å; D76-H80 PolarHBondContact O-N 2.85Å
77L92.7Very high87.5Confident16 Ų1664.4 Ų64.48%0.08429%0.294CS..Hα-helixtrans-66.2-43.1176179.561.4000112.4F31 Y34 V35 W64 Q73 V75 C79 H80 L81F31-L77 HydrophobicContact CD2-CD2 3.91Å; F31-L77 HydrophobicContact CD2-CG 4.16Å; F31-L77 HydrophobicContact CE2-CD2 3.72Å; F31-L77 HydrophobicContact CE2-CG 4.15Å; Y34-L77 HydrophobicContact CD1-CD1 4.11Å; Y34-L77 HydrophobicContact CD2-CD1 4.09Å; Y34-L77 HydrophobicContact CG-CD1 3.7Å; V35-L77 HydrophobicContact CG2-CD2 3.65Å; W64-L77 HydrophobicContact CH2-CB 4.03Å; W64-L77 HydrophobicContact CH2-CD2 3.5Å; W64-L77 HydrophobicContact CH2-CG 4.42Å; W64-L77 HydrophobicContact CZ2-CD2 4.27Å; W64-L77 HydrophobicContact CZ3-CD2 3.89Å; Q73-L77 VanDerWaalsContact O-CB 3.31Å; Q73-L77 WeakPolarHBondContact O-CB 3.39Å; Q73-L77 PolarHBondContact O-N 3.45Å; V75-L77 PolarHBondContact O-N 3.23Å; L77-C79 VanDerWaalsContact C-N 3.31Å; L77-C79 PolarHBondContact O-N 3.11Å; L77-H80 PolarHBondContact O-N 3Å; L77-L81 HydrophobicContact CD1-CD1 3.76Å; L77-L81 HydrophobicContact CD1-CG 4.13Å; L77-L81 HydrophobicContact CG-CD1 4.09Å; L77-L81 WeakPolarHBondContact O-CG 3.24Å; L77-L81 PolarHBondContact O-N 3.32Å
78L92.1Very high88.3Confident0 Ų061.1 Ų61.10%029%0.286CS..Hα-helixtrans-65.6-35.3177.6-69.7168.7000111.8L16 M20 F31 L74 V75 E82 L83 A86 A87 I90L16-L78 HydrophobicContact CD1-CD1 4.12Å; M20-L78 HydrophobicContact CE-CD2 3.86Å; M20-L78 HydrophobicContact SD-CD2 3.69Å; F31-L78 HydrophobicContact CD2-CD2 3.98Å; F31-L78 HydrophobicContact CE2-CD2 3.6Å; F31-L78 HydrophobicContact CE2-CG 4.19Å; F31-L78 HydrophobicContact CZ-CD2 4.32Å; L74-L78 HydrophobicContact CD1-CD1 3.73Å; L74-L78 HydrophobicContact CD1-CG 4.07Å; L74-L78 HydrophobicContact CG-CD1 3.98Å; L74-L78 WeakPolarHBondContact O-CB 3.44Å; L74-L78 WeakPolarHBondContact O-CD1 3.32Å; L74-L78 WeakPolarHBondContact O-CG 3.3Å; L74-L78 PolarHBondContact O-N 3Å; V75-L78 PolarHBondContact O-N 3.45Å; L78-E82 PolarHBondContact O-N 2.89Å; L78-L83 HydrophobicContact CB-CB 4.35Å; L78-L83 HydrophobicContact CD2-CB 3.9Å; L78-L83 HydrophobicContact CD2-CD1 3.79Å; L78-L83 HydrophobicContact CD2-CG 4.49Å; L78-L83 WeakPolarHBondContact O-CA 3.47Å; L78-L83 WeakPolarHBondContact O-CB 3.35Å; L78-L83 PolarHBondContact O-N 2.81Å; L78-A86 HydrophobicContact CD1-CB 4.07Å; L78-A86 HydrophobicContact CD2-CB 3.91Å; L78-A86 HydrophobicContact CG-CB 4.49Å; L78-A87 HydrophobicContact CB-CB 3.98Å; L78-I90 HydrophobicContact CD1-CD1 3.61Å
79C90.6Very high89Confident49 Ų4957 Ų5733%0.33127%0.268SS..Hα-helixtrans-71.2-37.4171.9-72.20000112.4V75 D76 L77 L81 E82V75-C79 WeakPolarHBondContact O-CB 3.33Å; V75-C79 PolarHBondContact O-N 3.4Å; V75-C79 PolarHBondContact O-SG 2.91Å; V75-C79 VanDerWaalsContact O-SG 3.35Å; D76-C79 PolarHBondContact O-N 3.32Å; L77-C79 VanDerWaalsContact C-N 3.31Å; L77-C79 PolarHBondContact O-N 3.11Å; C79-L81 VanDerWaalsContact C-N 3.3Å; C79-L81 PolarHBondContact O-N 3.11Å; C79-E82 PolarHBondContact O-N 3.23Å
80H93.3Very high89.4Confident122 Ų12257 Ų5757%0.56527%0.267SS*.Hα-helixtrans-63.3-36177.4179.832.6000112.6D76 L77 E82D76-H80 WeakPolarHBondContact O-CB 3.44Å; D76-H80 PolarHBondContact O-N 2.85Å; L77-H80 PolarHBondContact O-N 3Å; H80-E82 VanDerWaalsContact C-N 3.33Å
81L91.6Very high89.3Confident28 Ų2860.2 Ų60.215%0.14728%0.283CS..THydrogen-bonded Turntrans-92.415.5178.4-62.2174.4000113.4E30 F31 Y34 L77 C79 L83E30-L81 HydrophobicContact CG-CD2 3.95Å; F31-L81 HydrophobicContact CB-CD1 3.95Å; F31-L81 HydrophobicContact CD2-CD1 4.02Å; Y34-L81 HydrophobicContact CD2-CD1 4.17Å; Y34-L81 HydrophobicContact CD2-CD2 4.34Å; Y34-L81 HydrophobicContact CE2-CD1 4.48Å; Y34-L81 HydrophobicContact CE2-CD2 3.83Å; L77-L81 HydrophobicContact CD1-CD1 3.76Å; L77-L81 HydrophobicContact CD1-CG 4.13Å; L77-L81 HydrophobicContact CG-CD1 4.09Å; L77-L81 WeakPolarHBondContact O-CG 3.24Å; L77-L81 PolarHBondContact O-N 3.32Å; C79-L81 VanDerWaalsContact C-N 3.3Å; C79-L81 PolarHBondContact O-N 3.11Å; L81-L83 HydrophobicContact CB-CD1 4.18Å; L81-L83 HydrophobicContact CB-CG 4.05Å; L81-L83 WeakPolarHBondContact O-CG 3.14Å; L81-L83 PolarHBondContact O-N 3.35Å
82E92.9Very high89.2Confident140 Ų14065.5 Ų65.565%0.65431%0.31SS*.THydrogen-bonded Turntrans56.717.1-179.3-52.7-156.9163.600115.5L78 C79 H80 Y84L78-E82 PolarHBondContact O-N 2.89Å; C79-E82 PolarHBondContact O-N 3.23Å; H80-E82 VanDerWaalsContact C-N 3.33Å; E82-Y84 HydrophobicContact CB-CD2 4.2Å; E82-Y84 HydrophobicContact CB-CE2 3.57Å; E82-Y84 HydrophobicContact CG-CE2 4.01Å; E82-Y84 WeakPolarHBondContact O-CD2 3.46Å; E82-Y84 PolarHBondContact O-N 3.11Å
83L90.8Very high88.8Confident24 Ų2462.1 Ų62.113%0.12629%0.293CS..  trans-77.847.6177.4-58.9179.6000111.5M20 L23 F31 L78 L81 R85 A86 A87M20-L83 HydrophobicContact CE-CD1 3.76Å; M20-L83 HydrophobicContact SD-CD1 4Å; L23-L83 HydrophobicContact CD1-CD1 3.96Å; L23-L83 HydrophobicContact CD1-CD2 3.89Å; L23-L83 HydrophobicContact CD2-CD2 3.82Å; F31-L83 HydrophobicContact CB-CD1 4.33Å; F31-L83 HydrophobicContact CD2-CD1 4.26Å; F31-L83 HydrophobicContact CG-CD1 4.5Å; L78-L83 HydrophobicContact CB-CB 4.35Å; L78-L83 HydrophobicContact CD2-CB 3.9Å; L78-L83 HydrophobicContact CD2-CD1 3.79Å; L78-L83 HydrophobicContact CD2-CG 4.49Å; L78-L83 WeakPolarHBondContact O-CA 3.47Å; L78-L83 WeakPolarHBondContact O-CB 3.35Å; L78-L83 PolarHBondContact O-N 2.81Å; L81-L83 HydrophobicContact CB-CD1 4.18Å; L81-L83 HydrophobicContact CB-CG 4.05Å; L81-L83 WeakPolarHBondContact O-CG 3.14Å; L81-L83 PolarHBondContact O-N 3.35Å; L83-R85 PolarHBondContact O-N 2.98Å; L83-R85 VanDerWaalsContact O-N 3.11Å; L83-A86 HydrophobicContact CB-CB 4.41Å; L83-A86 WeakPolarHBondContact O-CB 3.2Å; L83-A86 PolarHBondContact O-N 3.16Å; L83-A87 PolarHBondContact O-N 3.16Å; L83-A87 VanDerWaalsContact O-N 3.07Å
84Y89Confident87.4Confident124 Ų12466.1 Ų66.149%0.48631%0.309SS..Hα-helixtrans-57.6-30.7-171.6-58.6-65.8000113.5E82 A87 Q88E82-Y84 HydrophobicContact CB-CD2 4.2Å; E82-Y84 HydrophobicContact CB-CE2 3.57Å; E82-Y84 HydrophobicContact CG-CE2 4.01Å; E82-Y84 WeakPolarHBondContact O-CD2 3.46Å; E82-Y84 PolarHBondContact O-N 3.11Å; Y84-A87 PolarHBondContact O-N 3.42Å; Y84-Q88 WeakPolarHBondContact O-CB 3.09Å; Y84-Q88 WeakPolarHBondContact O-CG 3.36Å; Y84-Q88 PolarHBondContact O-N 3.37Å
85R86.5Confident85.7Confident202 Ų20270.1 Ų70.176%0.76234%0.335SS*.Hα-helixtrans-62.2-45.2174.4-71.1-175.5178179.71.3111.7N19 L83 Q88 I89N19-R85 WeakPolarHBondContact OD1-CB 3.39Å; L83-R85 PolarHBondContact O-N 2.98Å; L83-R85 VanDerWaalsContact O-N 3.11Å; R85-Q88 PolarHBondContact O-N 3.2Å; R85-I89 WeakPolarHBondContact O-CG1 3.27Å; R85-I89 PolarHBondContact O-N 3.49Å
86A89Confident83.5Confident0 Ų076 Ų760%037%0.37CS..Hα-helixtrans-68.2-42.5178.100000111L16 N19 M20 L78 L83 Q88 I89L16-A86 HydrophobicContact CD1-CB 3.53Å; N19-A86 WeakPolarHBondContact OD1-CA 3.44Å; N19-A86 PolarHBondContact OD1-N 2.85Å; N19-A86 VanDerWaalsContact OD1-N 3.14Å; M20-A86 HydrophobicContact CG-CB 4.19Å; M20-A86 HydrophobicContact SD-CB 3.54Å; M20-A86 VanDerWaalsContact SD-CB 3.54Å; L78-A86 HydrophobicContact CD1-CB 4.07Å; L78-A86 HydrophobicContact CD2-CB 3.91Å; L78-A86 HydrophobicContact CG-CB 4.49Å; L83-A86 HydrophobicContact CB-CB 4.41Å; L83-A86 WeakPolarHBondContact O-CB 3.2Å; L83-A86 PolarHBondContact O-N 3.16Å; A86-Q88 VanDerWaalsContact C-N 3.33Å; A86-Q88 PolarHBondContact O-N 2.78Å; A86-I89 PolarHBondContact O-N 2.78Å
87A89Confident81.1Confident2 Ų277.3 Ų77.32%0.01738%0.384CS..Hα-helixtrans-59.3-41.2173.700000112.3L78 L83 Y84 I89 I90 L91L78-A87 HydrophobicContact CB-CB 3.98Å; L83-A87 PolarHBondContact O-N 3.16Å; L83-A87 VanDerWaalsContact O-N 3.07Å; Y84-A87 PolarHBondContact O-N 3.42Å; A87-I89 PolarHBondContact O-N 3.2Å; A87-I90 PolarHBondContact O-N 3.41Å; A87-L91 WeakPolarHBondContact O-CG 3.23Å; A87-L91 PolarHBondContact O-N 3.48Å
88Q86.5Confident78.3Confident100 Ų10083.5 Ų83.547%0.46741%0.412SS..Hα-helixtrans-66.8-32.4178.4-74-66.2-24.500113.4Y84 R85 A86 I90 L91 N92Y84-Q88 WeakPolarHBondContact O-CB 3.09Å; Y84-Q88 WeakPolarHBondContact O-CG 3.36Å; Y84-Q88 PolarHBondContact O-N 3.37Å; R85-Q88 PolarHBondContact O-N 3.2Å; A86-Q88 VanDerWaalsContact C-N 3.33Å; A86-Q88 PolarHBondContact O-N 2.78Å; Q88-I90 PolarHBondContact O-N 3.31Å; Q88-L91 PolarHBondContact O-N 3.49Å; Q88-N92 WeakPolarHBondContact O-CB 3.39Å; Q88-N92 PolarHBondContact O-N 2.96Å; Q88-N92 PolarHBondContact O-ND2 3.5Å
89I87.8Confident75.5Confident45 Ų4590.9 Ų90.923%0.23145%0.45CS..Hα-helixtrans-59.1-38.7173.3-68165.7000110.6V12 D15 L16 N19 R85 A86 A87V12-I89 HydrophobicContact CG1-CG2 4.17Å; D15-I89 HydrophobicContact CB-CG2 4.26Å; L16-I89 HydrophobicContact CB-CG2 4.22Å; N19-I89 HydrophobicContact CB-CD1 3.85Å; R85-I89 WeakPolarHBondContact O-CG1 3.27Å; R85-I89 PolarHBondContact O-N 3.49Å; A86-I89 PolarHBondContact O-N 2.78Å; A87-I89 PolarHBondContact O-N 3.2Å
90I86.8Confident72.4Confident4 Ų498.8 Ų98.82%0.02147%0.473CS..Hα-helixtrans-77.2-45.1178.4-54.2172.5000111.4L8 L16 V71 L74 V75 L78 A87 Q88 N92 W93L8-I90 HydrophobicContact CD2-CG2 4.25Å; L16-I90 HydrophobicContact CD1-CD1 4.24Å; L16-I90 HydrophobicContact CD1-CG1 4.38Å; L16-I90 HydrophobicContact CD2-CD1 3.9Å; L16-I90 HydrophobicContact CD2-CG1 4.19Å; V71-I90 HydrophobicContact CG1-CG2 3.42Å; V71-I90 VanDerWaalsContact CG1-CG2 3.42Å; L74-I90 HydrophobicContact CD2-CD1 3.56Å; L74-I90 HydrophobicContact CG-CD1 3.62Å; V75-I90 HydrophobicContact CG2-CB 3.96Å; V75-I90 HydrophobicContact CG2-CD1 4.15Å; V75-I90 HydrophobicContact CG2-CG2 3.62Å; L78-I90 HydrophobicContact CD1-CD1 3.61Å; A87-I90 PolarHBondContact O-N 3.41Å; Q88-I90 PolarHBondContact O-N 3.31Å; I90-N92 VanDerWaalsContact C-N 3.29Å; I90-N92 PolarHBondContact O-N 3.37Å; I90-W93 WeakPolarHBondContact O-CB 3.31Å; I90-W93 PolarHBondContact O-N 3.35Å
91L85.1Confident69.2Low93 Ų9397.9 Ų97.949%0.48748%0.479SS..Hα-helixtrans-67.6-26-177.5-72.7168.9000113.7V75 A87 Q88 W93V75-L91 HydrophobicContact CG1-CD1 4.25Å; V75-L91 HydrophobicContact CG1-CD2 4.11Å; V75-L91 HydrophobicContact CG1-CG 4.19Å; A87-L91 WeakPolarHBondContact O-CG 3.23Å; A87-L91 PolarHBondContact O-N 3.48Å; Q88-L91 PolarHBondContact O-N 3.49Å; L91-W93 VanDerWaalsContact C-N 3.27Å
92N83.7Confident66.3Low124 Ų124102.2 Ų102.266%0.66351%0.509SS*.THydrogen-bonded Turntrans-74.9-15.5172.9-77-61.5000113.1Q88 I90Q88-N92 WeakPolarHBondContact O-CB 3.39Å; Q88-N92 PolarHBondContact O-N 2.96Å; Q88-N92 PolarHBondContact O-ND2 3.5Å; I90-N92 VanDerWaalsContact C-N 3.29Å; I90-N92 PolarHBondContact O-N 3.37Å
93W77.3Confident63.4Low47 Ų47102.7 Ų102.718%0.17851%0.514CS..  trans-79.5125169.6170.970.7000110.9L8 P9 V12 I90 L91 P95L8-W93 HydrophobicContact CD2-CD2 4.4Å; L8-W93 HydrophobicContact CD2-CE3 3.75Å; L8-W93 HydrophobicContact CD2-CZ3 3.82Å; P9-W93 HydrophobicContact CG-CG 4.5Å; P9-W93 HydrophobicContact CG-CZ2 4.34Å; V12-W93 HydrophobicContact CG1-CB 4.46Å; V12-W93 HydrophobicContact CG2-CB 3.9Å; V12-W93 HydrophobicContact CG2-CG 4.02Å; I90-W93 WeakPolarHBondContact O-CB 3.31Å; I90-W93 PolarHBondContact O-N 3.35Å; L91-W93 VanDerWaalsContact C-N 3.27Å; W93-P95 HydrophobicContact CH2-CB 3.82Å; W93-P95 HydrophobicContact CH2-CG 4.45Å; W93-P95 HydrophobicContact CZ2-CB 3.85Å; W93-P95 HydrophobicContact CZ3-CB 4.48Å
94K60.3Low60.6Low176 Ų176106.8 Ų106.877%0.76554%0.542SS*.  trans-104.2128168.9-66.8-176.5179.7179.10109.7V96K94-V96 PolarHBondContact O-N 2.95Å
95P55.1Low57.7Low86 Ų86105.3 Ų105.356%0.55856%0.556SS**PPolyproline II helixtrans-62.7130.7169.126.1-32.7000109.5W93W93-P95 HydrophobicContact CH2-CB 3.82Å; W93-P95 HydrophobicContact CH2-CG 4.45Å; W93-P95 HydrophobicContact CZ2-CB 3.85Å; W93-P95 HydrophobicContact CZ3-CB 4.48Å
96V43.8Very low55Low131 Ų131104.7 Ų104.779%0.79456%0.559SS**PPolyproline II helixtrans-67.2129.6171.5-179.60000107.8K94 E98K94-V96 PolarHBondContact O-N 2.95Å; V96-E98 PolarHBondContact O-N 2.95Å
97P38.7Very low52.4Low111 Ų111110.6 Ų110.672%0.72160%0.597SS**PPolyproline II helixtrans-58.8132176.5-24.334.3000111.4I99P97-I99 PolarHBondContact O-N 3.49Å; P97-I99 VanDerWaalsContact O-N 3.12Å
98E34.5Very low49.5Very low145 Ų145118.1 Ų118.168%0.67864%0.637SS**  trans-61.9114.6173-66-177.3143.800109.8V96 R100V96-E98 PolarHBondContact O-N 2.95Å; E98-R100 VanDerWaalsContact C-N 3.32Å; E98-R100 PolarHBondContact O-N 3.5Å
99I33.2Very low46.6Very low156 Ų156118.8 Ų118.880%0.865%0.652SS**  trans-69.396.7165.9-60177.3000106.8P97 C101P97-I99 PolarHBondContact O-N 3.49Å; P97-I99 VanDerWaalsContact O-N 3.12Å; I99-C101 VanDerWaalsContact C-N 3.29Å; I99-C101 PolarHBondContact O-N 2.82Å
100R26Very low43.7Very low215 Ų215123.3 Ų123.381%0.81168%0.681SS**  trans-65.789.2167.6-76.8-172.9172.8-166.3-2.4109.5E98 P102E98-R100 VanDerWaalsContact C-N 3.32Å; E98-R100 PolarHBondContact O-N 3.5Å; R100-P102 WeakPolarHBondContact O-CD 3.41Å
101C26.2Very low40.9Very low102 Ų102131.8 Ų131.869%0.68972%0.718SS**PPolyproline II helixtrans-58.5122.9154.9-67.10000107.8I99 I103I99-C101 VanDerWaalsContact C-N 3.29Å; I99-C101 PolarHBondContact O-N 2.82Å; C101-I103 PolarHBondContact O-N 3.32Å
102P29.7Very low38.3Very low119 Ų119133.1 Ų133.177%0.77373%0.732SS**PPolyproline II helixtrans-61.4127.4174-21.633.8000109.6R100 P104R100-P102 WeakPolarHBondContact O-CD 3.41Å; P102-P104 WeakPolarHBondContact O-CD 3.29Å
103I31.8Very low35.4Very low150 Ų150136.5 Ų136.577%0.76974%0.744SS**PPolyproline II helixtrans-69.7121.2168.8-59.7171.5000106.5C101 A105C101-I103 PolarHBondContact O-N 3.32Å; I103-A105 PolarHBondContact O-N 2.72Å
104P32.1Very low32.9Very low110 Ų110145.8 Ų145.871%0.71478%0.779SS**PPolyproline II helixtrans-63124.9169.5-17.531.8000108.3P102 F106P102-P104 WeakPolarHBondContact O-CD 3.29Å; P104-F106 PolarHBondContact O-N 2.87Å
105A28.4Very low32.2Very low94 Ų94142.7 Ų142.778%0.77778%0.777SS**PPolyproline II helixtrans-63.6125.4174.900000109.2I103I103-A105 PolarHBondContact O-N 2.72Å
106F31Very low30.8Very low188 Ų188146.9 Ų146.983%0.82579%0.794SS**PPolyproline II helixtrans-66.6127.5167.3-70.6-89.8000108.2P104P104-F106 PolarHBondContact O-N 2.87Å
107P34Very low29.8Very low124 Ų124144.5 Ų144.581%0.80579%0.787SS**PPolyproline II helixtrans-67.6142169.429-33.3000109.7
108D27.9Very low29.1Very low160 Ų160144.2 Ų144.286%0.85680%0.795SS**PPolyproline II helixtrans-65.1153-171.1-87.7-61.2000114.9V110D108-V110 PolarHBondContact O-N 3.22Å
109C25.8Very low28.6Very low115 Ų115142.2 Ų142.278%0.77780%0.796SS**  trans-74.3111.4-179.7-178.10000111.7
110V25.4Very low28.3Very low139 Ų139140.7 Ų140.784%0.84279%0.794SS**PPolyproline II helixtrans-102.5124167.6-176.40000109.3D108D108-V110 PolarHBondContact O-N 3.22Å
111K27.9Very low28.2Very low182 Ų182141.5 Ų141.579%0.79180%0.797SS**PPolyproline II helixtrans-81.5158.9-179.7-82.1-178.4176.91780112.2
112P31Very low28.1Very low122 Ų122145 Ų14579%0.79280%0.801SS**PPolyproline II helixtrans-88.3144.3-165.934-35.6000114.1
113E22.6Very low28Very low194 Ų194144.2 Ų144.291%0.90779%0.794SS**  trans-130.4158.2158.9-72.7-163.2141.700111.5
114R24.9Very low27.8Very low243 Ų243143.8 Ų143.892%0.91779%0.789SS**  trans-160161.8-177.4-98.4-172173.2-174.7-0107.4
115P46.3Very low27.5Very low110 Ų110145.8 Ų145.871%0.71479%0.794SS**  cis-133174.2-34.739.5-25.3000111.4
116L24.8Very low27.6Very low175 Ų175148.6 Ų148.692%0.91679%0.791SS**  trans171163157.5-92.3148.1000107.2
117A24.1Very low27.3Very low80 Ų80147.5 Ų147.566%0.66179%0.788SS**  -171.6147.6-5100000107.6
118A24Very low27Very low106 Ų106150.8 Ų150.888%0.87679%0.793SS**  trans62.6163.8176.200000115.8
119S24.3Very low26.9Very low102 Ų102153 Ų15371%0.71380%0.798SS**  cis-163.9131.1-16.6152.70000112.2
120V25.4Very low26.9Very low125 Ų125151.1 Ų151.176%0.75880%0.798SS**  trans38.7131.4141.7-161.20000122.4
121R25.2Very low26.9Very low231 Ų231153.4 Ų153.487%0.87280%0.8SS**  trans134.7132.1151.9-74.1170.2-169-159.21110
122K23.9Very low27.7Very low175 Ų175150 Ų15076%0.76180%0.797SS**  59131.960.1-78.3-153.5162.8-134.80111.9E124K122-E124 IonicContact NZ-OE1 3.17Å; K122-E124 PolarHBondContact NZ-OE1 2.87Å
123T26.5Very low27.4Very low104 Ų104150.7 Ų150.764%0.63880%0.798SS**  cis-144.1159.231.331.90000112.2
124E27.8Very low27.5Very low140 Ų140152.4 Ų152.465%0.65480%0.796SS**  52.413394.9-46.4151.2-164.700114.9K122K122-E124 IonicContact NZ-OE1 3.17Å; K122-E124 PolarHBondContact NZ-OE1 2.87Å
125D27.2Very low27.5Very low152 Ų152149 Ų14981%0.81379%0.793SS**  cis-152.7-137.9-18.1-130.9-117.1000110.9
126E29.1Very low26.6Very low154 Ų154148.1 Ų148.172%0.7280%0.795SS**  cis-153.1-104.59.3-160.1167.1-17600115.8
127Q25.7Very low26.4Very low164 Ų164146.4 Ų146.477%0.76679%0.792SS**  trans-130.1154.1-155.4-78.9158.23000119.9
128E27.1Very low26.7Very low193 Ų193152 Ų15290%0.90280%0.801SS**  trans-178.3102.4133.7-103.3-174.4176.900107.4
129E26.1Very low27.3Very low206 Ų206152.9 Ų152.996%0.96380%0.798SS**  69.8122.577.5-160.8168-120.600116.8
130G25.1Very low27.3Very low76 Ų76151 Ų15178%0.78480%0.795SS**  trans152.1104.217200000117.9
131Q26.5Very low27.9Very low187 Ų187151.6 Ų151.687%0.87480%0.801SS**  trans-156.9-179.1170.6-104.2-165.128.200108.9
132P43.8Very low27.9Very low112 Ų112144.2 Ų144.273%0.72780%0.797SS**  cis-100.4-134.64.13.421.8000114.6
133V25.6Very low27.9Very low135 Ų135141.7 Ų141.782%0.81880%0.802SS**  cis-151.9-177.417-159.40000112.3
134R25.1Very low27.9Very low230 Ų230142.2 Ų142.287%0.86881%0.809SS**  trans-112.3178-179.7-70.4173.7161.6166.6-6.3111
135M23.9Very low28.4Very low173 Ų173141.1 Ų141.185%0.85282%0.815SS**  cis-168.1148.346.6-72.2-176.1-76.900116.1
136A26.8Very low28.3Very low91 Ų91138.5 Ų138.575%0.75281%0.814SS**  trans58.7164.3138.600000120.7
137T22.3Very low28.1Very low139 Ų139142.7 Ų142.785%0.85382%0.823SS**  cis-149.8163.912-36.60000112.9
138F29.4Very low28.1Very low197 Ų197138.9 Ų138.986%0.86482%0.82SS**  trans-79164.6168.7-88.4-75.5000112.5
139P36.1Very low28.1Very low124 Ų124139.1 Ų139.181%0.80582%0.821SS**  -154.3179.662.642.8-20.7000119.4
140G25.9Very low28.1Very low64 Ų64138.2 Ų138.266%0.6682%0.816SS**  trans-91.7-167.9160.300000112.5
141P38Very low28.1Very low136 Ų136143.8 Ų143.888%0.88382%0.822SS**  -156.6173.458.542.6-22.1000119.5
142G23.9Very low27.9Very low76 Ų76138.7 Ų138.778%0.78481%0.811SS**  trans71.1169.3153.400000119.4
143S24.8Very low27Very low123 Ų123142.9 Ų142.986%0.8682%0.819SS**  cis-168.4155.6-24.548.30000111.3
144S25.7Very low26.9Very low114 Ų114144.5 Ų144.580%0.79782%0.822SS**  trans-74.2-172.8-179.3-41.50000113.9
145P38.8Very low27.1Very low118 Ų118142 Ų14277%0.76682%0.82SS**  cis-147.8176.26.245.3-25.2000119.9
146A24.7Very low27.7Very low96 Ų96139.5 Ų139.579%0.79382%0.817SS**  trans44.1123.3139.700000125.4
147R25.3Very low27.9Very low242 Ų242140.6 Ų140.691%0.91382%0.816SS**  trans-159.2126.5130.8-109175.7175.6167.4-1.1107.4
148A25.1Very low27.9Very low84 Ų84142.7 Ų142.769%0.69482%0.816SS**  cis88.893.829.600000114.9
149H27.3Very low27.8Very low199 Ų199142.1 Ų142.192%0.92182%0.816SS**  trans-138.2139.7151.8-85.8-63.7000109.3
150Q25.7Very low27.3Very low186 Ų186143.6 Ų143.687%0.86982%0.818SS**  trans-122.1139.6176.7-64.7170.9-56.600109.2
151Q24.7Very low27.3Very low194 Ų194144.3 Ų144.391%0.90782%0.817SS**  trans-167.9117.8144.3-104.5155.2-6.800106.1
152A23.8Very low27.1Very low79 Ų79143.3 Ų143.365%0.65381%0.81SS**  cis93.5108.638.300000112.7
153F23.6Very low27.2Very low201 Ų201147.6 Ų147.688%0.88281%0.81SS**  trans51.9130.4161.6-68.8-93.3000119.9
154L24.4Very low27.2Very low168 Ų168146.8 Ų146.888%0.8880%0.804SS**  175.3130.1112.8-91.5163.2000112.5
155Q28.3Very low27.2Very low178 Ų178149.8 Ų149.883%0.83281%0.81SS**  trans-76.5162.5143.3-72.1176.5-67.500107.4
156P35.9Very low26.5Very low120 Ų120154.9 Ų154.978%0.77981%0.814SS**  cis-149.6-146.246.144.4-20.5000111.4
157P31.8Very low26.4Very low115 Ų115155.6 Ų155.675%0.74781%0.809SS**  cis-132175-13.641.2-24.2000116.3
158E23.1Very low26.5Very low182 Ų182151.1 Ų151.185%0.8580%0.803SS**  trans-98.8-169.4154.8-69.7-164.8127.300110.3
159E26.6Very low26.6Very low186 Ų186154 Ų15487%0.86981%0.806SS**  trans72.3139.9-178.8-52.4-175.7149.600112.9
160D25.2Very low26.6Very low155 Ų155150.4 Ų150.483%0.82980%0.8SS**  cis-133.4163.324.5-123.6-39.8000114.5
161A27.1Very low26.6Very low78 Ų78147.3 Ų147.365%0.64579%0.794SS**  trans-96.5172.216800000111.4
162P32.6Very low26.7Very low115 Ų115143.2 Ų143.275%0.74779%0.787SS**  -149.3135.4109.932.3-13.8000117.4
163H25.7Very low26.9Very low167 Ų167143.9 Ų143.977%0.77379%0.787SS**  trans48.8102.7135-57.1-55.1000123.2
164S26Very low27.1Very low105 Ų105141.3 Ų141.373%0.73478%0.782SS**  57.8114108.4-52.10000121.5
165L26Very low27.2Very low178 Ų178138.2 Ų138.293%0.93277%0.774SS**  trans-138.8144.5134.5-83.9-175.8000111.5
166R24Very low27.1Very low225 Ų225138.7 Ų138.785%0.84977%0.774SS**  trans-75.5169.1162.5-63.2178.6170.1174.2-4.2108
167T23.2Very low26.7Very low110 Ų110139.8 Ų139.868%0.67577%0.773SS**  -176.8160.752.5-120000112.1
168N25.9Very low26.4Very low149 Ų149145.4 Ų145.480%0.79778%0.781SS**  trans73.6128.9148.7-62.2-13.8000121.9
169L27.1Very low26.6Very low145 Ų145142 Ų14276%0.75978%0.778SS**  trans-76.5165.9159.6-154.181.7000110.6
170P28.5Very low26.6Very low122 Ų122139.1 Ų139.179%0.79277%0.773SS**  trans-119.3148.3139.835.3-29.4000112.4
171T24.6Very low26.8Very low121 Ų121136.7 Ų136.774%0.74277%0.768SS**  trans-117.4136.8-172.7-37.80000112.2
172S26.6Very low27.1Very low109 Ų109139 Ų13976%0.76277%0.768SS**  trans-162.6121154.855.10000107.8
173S28.1Very low26.9Very low93 Ų93138.7 Ų138.765%0.6577%0.766SS**  56.3124.462.1-80.80000113.4
174D27.6Very low27.3Very low147 Ų147140.5 Ų140.579%0.78677%0.771SS**  cis-141.1175.9-5-68.2-50.1000107.5
175S27Very low28Very low102 Ų102141.6 Ų141.671%0.71377%0.765SS**  cis-172.6147.335.456.50000114.9
176K27.1Very low28.5Very low188 Ų188139.3 Ų139.382%0.81775%0.75SS**  trans54.991.9142.7-65.3-178.8179.7179.10120.2
177D26.3Very low28.7Very low143 Ų143137.6 Ų137.677%0.76575%0.748SS**  26.2125.7115.8-47.3-59.5000120
178Y26Very low29.3Very low234 Ų234138.2 Ų138.292%0.91875%0.747SS**  trans-131.9115.5131.5-117.6-89.6000108.5
179S27.1Very low29.9Very low111 Ų111137 Ų13778%0.77674%0.74SS**  trans-99123.6-176.5-177.40000111
180T28.2Very low30.1Very low124 Ų124134.6 Ų134.676%0.76174%0.735SS**  trans-124.380.6173.736.40000110.8
181S28.6Very low30.7Very low105 Ų105135.7 Ų135.773%0.73473%0.733SS**  trans18.1101.4157.259.80000117.9P183S181-P183 WeakPolarHBondContact O-CD 3.27Å
182I33.9Very low31.6Very low127 Ų127131.8 Ų131.865%0.65171%0.713SS**  trans-78.5123.5169.2-62.2169.1000110.1E186I182-E186 HydrophobicContact CG2-CG 4.32Å
183P28.3Very low32.2Very low107 Ų107130.1 Ų130.170%0.69571%0.714SS**  trans-93.5115.2174.5-8.228.7000113.4S181 Q185S181-P183 WeakPolarHBondContact O-CD 3.27Å; P183-Q185 PolarHBondContact O-N 3.38Å
184K33.3Very low33.2Very low205 Ų205133.5 Ų133.589%0.89172%0.724SS**SBendtrans62.7-7.1147.2-70-174.6173.9179.50122.2
185Q41.4Very low35Very low128 Ų128130.6 Ų130.660%0.59872%0.716SS**  trans-94.5-8.8-175.8-15759.418.500116.6P183 K187 L188P183-Q185 PolarHBondContact O-N 3.38Å; Q185-K187 PolarHBondContact O-N 3.19Å; Q185-K187 VanDerWaalsContact O-N 3.1Å; Q185-L188 PolarHBondContact O-N 3.47Å
186E35Very low37.7Very low130 Ų130128 Ų12861%0.60769%0.694SS**G310 helixtrans-58.7-28.3-178-63.2-17914400113.9I182 L188 L189 S190I182-E186 HydrophobicContact CG2-CG 4.32Å; E186-L188 PolarHBondContact O-N 2.97Å; E186-L189 PolarHBondContact O-N 2.83Å; E186-S190 PolarHBondContact O-N 3.16Å
187K29Very low40.7Very low189 Ų189124.7 Ų124.782%0.82268%0.679SS**G310 helixtrans-63.5-10.8-177.6-160.6175-178.5-178.30114.5Q185Q185-K187 PolarHBondContact O-N 3.19Å; Q185-K187 VanDerWaalsContact O-N 3.1Å
188L35.2Very low43.8Very low124 Ų124118.8 Ų118.865%0.64965%0.647SS**G310 helixtrans-98.3-13.3173.8-111.8171.1000114.2Q185 E186Q185-L188 PolarHBondContact O-N 3.47Å; E186-L188 PolarHBondContact O-N 2.97Å
189L38.7Very low46.9Very low123 Ų123109.4 Ų109.464%0.64462%0.615SS**THydrogen-bonded Turntrans-102.4-25.9-179.5-65.5175.7000112.6E186 L191 A192E186-L189 PolarHBondContact O-N 2.83Å; L189-L191 PolarHBondContact O-N 3.07Å; L189-A192 PolarHBondContact O-N 3.41Å; L189-A192 VanDerWaalsContact O-N 3.15Å
190S31.8Very low50.1Low95 Ų95106.9 Ų106.966%0.66459%0.591SS**THydrogen-bonded Turntrans-69.40.6177.764.40000115.5E186E186-S190 PolarHBondContact O-N 3.16Å
191L41.9Very low53.1Low144 Ų144104.2 Ų104.275%0.75458%0.581SS**THydrogen-bonded Turntrans-110-6.5174-111.470.4000113.5L189 G193L189-L191 PolarHBondContact O-N 3.07Å; L191-G193 PolarHBondContact O-N 3.37Å
192A41.7Very low56.2Low39 Ų39101.2 Ų101.232%0.32256%0.557SS.*  trans-9416.4-159.300000115.6L189L189-A192 PolarHBondContact O-N 3.41Å; L189-A192 VanDerWaalsContact O-N 3.15Å
193G39.6Very low59.1Low75 Ų7595.1 Ų95.177%0.77353%0.526SS*.SBendtrans-63.2-49.6177.700000113L191L191-G193 PolarHBondContact O-N 3.37Å
194D49.5Very low62.3Low163 Ų16392.2 Ų92.287%0.87251%0.506SS*.SBendtrans-108.6-1.2-172-59.7-54.8000114.1
195S65.3Low65.2Low86 Ų8690.5 Ų90.560%0.60150%0.501SS*.  trans-104.84.2-160.3-167.90000116.7
196L84.5Confident67.8Low49 Ų4984.9 Ų84.926%0.25748%0.477SS..SBendtrans-94-13.1177-72.9176.2000114.2L262 G274 F275L196-L262 HydrophobicContact CD1-CD2 3.71Å; L196-G274 CarbonylContact O-C 3.5Å; L196-G274 WeakPolarHBondContact O-CA 3.19Å; L196-F275 HydrophobicContact CB-CD1 4.22Å; L196-F275 HydrophobicContact CB-CE1 3.87Å; L196-F275 PolarHBondContact O-N 2.86Å
197F88.9Confident70.6Confident117 Ų11778.7 Ų78.751%0.51345%0.448SS..BIsolated β-bridgetrans-79.2132.7178.2-179-97.5000111.4F275F197-F275 HydrophobicContact CD2-CD2 4.4Å; F197-F275 HydrophobicContact CD2-CE2 4.03Å
198W91.7Very high73.8Confident20 Ų2074.3 Ų74.38%0.07643%0.433CS..  trans-113.5134.2172.9-76.147.6000109.5D202 V203 A206 R229 F234 F236 F275 C276 I285W198-D202 HydrophobicContact CE3-CB 4.22Å; W198-V203 HydrophobicContact CB-CG2 4.05Å; W198-V203 HydrophobicContact CE3-CG2 4.27Å; W198-A206 HydrophobicContact CZ3-CB 4.47Å; W198-R229 VanDerWaalsContact CE3-NH1 3.33Å; W198-R229 HydrophobicContact CH2-CB 4.03Å; W198-R229 HydrophobicContact CH2-CG 4.31Å; W198-R229 HydrophobicContact CZ3-CB 4.19Å; W198-R229 VanDerWaalsContact CZ3-CD 3.45Å; W198-R229 HydrophobicContact CZ3-CG 4.4Å; W198-F234 HydrophobicContact CH2-CD1 4.39Å; W198-F234 HydrophobicContact CH2-CD2 4.09Å; W198-F234 HydrophobicContact CH2-CE1 4.36Å; W198-F234 HydrophobicContact CH2-CE2 4.07Å; W198-F234 HydrophobicContact CH2-CG 4.26Å; W198-F234 HydrophobicContact CH2-CZ 4.21Å; W198-F234 HydrophobicContact CZ2-CE1 4.31Å; W198-F234 HydrophobicContact CZ2-CZ 4.35Å; W198-F236 HydrophobicContact CE3-CE1 4.08Å; W198-F236 HydrophobicContact CH2-CZ 4.4Å; W198-F236 AromaticContact CZ3-CE1 3.81Å; W198-F236 HydrophobicContact CZ3-CE1 3.81Å; W198-F236 AromaticContact CZ3-CZ 3.81Å; W198-F236 HydrophobicContact CZ3-CZ 3.81Å; W198-F275 PolarHBondContact N-O 3.31Å; W198-C276 HydrophobicContact CB-CB 4.48Å; W198-C276 WeakPolarHBondContact O-CB 2.99Å; W198-C276 PolarHBondContact O-SG 3.23Å; W198-I285 HydrophobicContact CB-CD1 3.99Å; W198-I285 HydrophobicContact CD2-CD1 4.01Å; W198-I285 HydrophobicContact CD2-CG1 3.96Å; W198-I285 HydrophobicContact CE3-CD1 4.42Å; W198-I285 HydrophobicContact CE3-CG1 4.09Å; W198-I285 HydrophobicContact CG-CD1 3.82Å; W198-I285 HydrophobicContact CG-CG1 4.31Å; W198-I285 HydrophobicContact CH2-CG2 4.01Å; W198-I285 HydrophobicContact CZ2-CG2 3.89Å; W198-I285 HydrophobicContact CZ3-CG1 4.46Å; W198-I285 HydrophobicContact CZ3-CG2 4.45Å
199S92Very high76.5Confident37 Ų3773.9 Ų73.926%0.25943%0.432SS..  trans-67.9157.7179.198.60000112A201 D202 V203S199-A201 PolarHBondContact O-N 2.89Å; S199-A201 PolarHBondContact OG-N 2.97Å; S199-D202 WeakPolarHBondContact CB-OD1 3.27Å; S199-D202 WeakPolarHBondContact O-CB 3.45Å; S199-D202 PolarHBondContact O-N 2.71Å; S199-D202 PolarHBondContact OG-N 3.42Å; S199-D202 PolarHBondContact OG-OD1 3.03Å; S199-V203 PolarHBondContact O-N 3.25Å
200E92.7Very high79.1Confident58 Ų5868.5 Ų68.527%0.27140%0.403SS..Hα-helixtrans-57.8-40.9174.9-166.6173.1166.800110.9V203 V204 A278 Q280 F281E200-V203 PolarHBondContact O-N 2.62Å; E200-V204 WeakPolarHBondContact O-CG2 3.45Å; E200-V204 PolarHBondContact O-N 2.76Å; E200-A278 HydrophobicContact CB-CB 3.93Å; E200-A278 HydrophobicContact CG-CB 3.72Å; E200-A278 WeakPolarHBondContact OE2-CB 3.33Å; E200-Q280 WeakPolarHBondContact OE1-CB 3.45Å; E200-Q280 WeakPolarHBondContact OE1-CG 3.43Å; E200-Q280 PolarHBondContact OE1-NE2 2.96Å; E200-F281 HydrophobicContact CG-CE1 3.66Å; E200-F281 HydrophobicContact CG-CZ 3.75Å
201A93.2Very high82Confident67 Ų6766.1 Ų66.155%0.55438%0.383SS*.Hα-helixtrans-67.7-38.4176.400000112.7S199 V203 V204 Q205S199-A201 PolarHBondContact O-N 2.89Å; S199-A201 PolarHBondContact OG-N 2.97Å; A201-V203 VanDerWaalsContact C-N 3.29Å; A201-V203 PolarHBondContact O-N 2.91Å; A201-V204 PolarHBondContact O-N 2.95Å; A201-Q205 VanDerWaalsContact O-CB 3.24Å; A201-Q205 WeakPolarHBondContact O-CB 3.23Å; A201-Q205 PolarHBondContact O-N 3.5Å
202D93Very high84.5Confident42 Ų4264.9 Ų64.923%0.22537%0.373CS..Hα-helixtrans-59.6-42.8177.3-65.520.5000110.7W198 S199 A206 R229W198-D202 HydrophobicContact CE3-CB 4.22Å; S199-D202 WeakPolarHBondContact CB-OD1 3.27Å; S199-D202 WeakPolarHBondContact O-CB 3.45Å; S199-D202 PolarHBondContact O-N 2.71Å; S199-D202 PolarHBondContact OG-N 3.42Å; S199-D202 PolarHBondContact OG-OD1 3.03Å; D202-A206 WeakPolarHBondContact O-CB 3.41Å; D202-A206 PolarHBondContact O-N 3.14Å; D202-R229 IonicContact OD2-CZ 3.77Å; D202-R229 IonicContact OD2-NH1 3.84Å; D202-R229 PolarHBondContact OD2-NH1 2.93Å; D202-R229 IonicContact OD2-NH2 2.71Å; D202-R229 PolarHBondContact OD2-NH2 3.13Å
203V94.5Very high87Confident0 Ų069.9 Ų69.90%040%0.395CS..Hα-helixtrans-74.1-43.1-179.2176.30000111.4W198 S199 E200 A201 A206 T207 F210 F236 C276 F281 I285W198-V203 HydrophobicContact CB-CG2 4.05Å; W198-V203 HydrophobicContact CE3-CG2 4.27Å; S199-V203 PolarHBondContact O-N 3.25Å; E200-V203 PolarHBondContact O-N 2.62Å; A201-V203 VanDerWaalsContact C-N 3.29Å; A201-V203 PolarHBondContact O-N 2.91Å; V203-A206 PolarHBondContact O-N 3.36Å; V203-T207 HydrophobicContact CG1-CG2 4.39Å; V203-T207 WeakPolarHBondContact O-CB 3.32Å; V203-T207 WeakPolarHBondContact O-CG2 3.5Å; V203-T207 PolarHBondContact O-N 2.99Å; V203-T207 PolarHBondContact O-OG1 3.47Å; V203-F210 HydrophobicContact CG1-CE1 3.93Å; V203-F210 HydrophobicContact CG1-CE2 4.41Å; V203-F210 HydrophobicContact CG1-CZ 3.55Å; V203-F236 HydrophobicContact CG1-CD1 3.8Å; V203-F236 HydrophobicContact CG1-CE1 4.17Å; V203-F236 HydrophobicContact CG2-CD1 4.39Å; V203-F236 HydrophobicContact CG2-CE1 4.22Å; V203-C276 HydrophobicContact CG2-CB 3.74Å; V203-F281 HydrophobicContact CB-CE2 4.07Å; V203-F281 HydrophobicContact CB-CZ 4.06Å; V203-F281 HydrophobicContact CG1-CE2 3.79Å; V203-F281 HydrophobicContact CG1-CZ 4.01Å; V203-I285 HydrophobicContact CG2-CD1 4.31Å
204V94.5Very high89.4Confident46 Ų4669.8 Ų69.828%0.27937%0.374SS..Hα-helixtrans-60.7-46.6175.4167.80000110.5E200 A201 T207 D208 D209 F210 F281E200-V204 WeakPolarHBondContact O-CG2 3.45Å; E200-V204 PolarHBondContact O-N 2.76Å; A201-V204 PolarHBondContact O-N 2.95Å; V204-T207 PolarHBondContact O-N 2.93Å; V204-T207 PolarHBondContact O-OG1 3.39Å; V204-D208 PolarHBondContact O-N 3.48Å; V204-D208 VanDerWaalsContact O-N 3.13Å; V204-D209 HydrophobicContact CG1-CB 4.09Å; V204-D209 PolarHBondContact O-N 2.94Å; V204-F210 HydrophobicContact CG2-CE2 4.27Å; V204-F281 HydrophobicContact CG2-CE1 3.98Å; V204-F281 HydrophobicContact CG2-CZ 4.17Å
205Q95.2Very high91.5Very high169 Ų16963.9 Ų63.979%0.7934%0.34SS*.Hα-helixtrans-63.7-45.1176.9-171.9-178.221.500112A201 T207 D208A201-Q205 VanDerWaalsContact O-CB 3.24Å; A201-Q205 WeakPolarHBondContact O-CB 3.23Å; A201-Q205 PolarHBondContact O-N 3.5Å; Q205-T207 VanDerWaalsContact C-N 3.27Å; Q205-T207 PolarHBondContact O-N 3.15Å; Q205-D208 PolarHBondContact O-N 3.24Å
206A95.3Very high92.6Very high10 Ų1064 Ų648%0.08333%0.334CS..Hα-helixtrans-70.5-21-177.500000113.9W198 D202 V203 G227 H228 R229 F236W198-A206 HydrophobicContact CZ3-CB 4.47Å; D202-A206 WeakPolarHBondContact O-CB 3.41Å; D202-A206 PolarHBondContact O-N 3.14Å; V203-A206 PolarHBondContact O-N 3.36Å; A206-G227 CarbonylContact O-C 3.53Å; A206-G227 WeakPolarHBondContact O-CA 3.48Å; A206-H228 VanDerWaalsContact CA-O 3.31Å; A206-H228 WeakPolarHBondContact CA-O 3.33Å; A206-H228 WeakPolarHBondContact CB-O 3.34Å; A206-H228 PolarHBondContact O-N 3.16Å; A206-R229 HydrophobicContact CB-CB 4.31Å; A206-F236 HydrophobicContact CB-CE1 4.28Å; A206-F236 HydrophobicContact CB-CE2 4.21Å; A206-F236 HydrophobicContact CB-CZ 3.59Å
207T95.1Very high92.6Very high0 Ų064.5 Ų64.50%034%0.341CS..Hα-helixtrans-103.5-1.4179.758.30000114.4V203 V204 Q205 F210 N211 F236V203-T207 HydrophobicContact CG1-CG2 4.39Å; V203-T207 WeakPolarHBondContact O-CB 3.32Å; V203-T207 WeakPolarHBondContact O-CG2 3.5Å; V203-T207 PolarHBondContact O-N 2.99Å; V203-T207 PolarHBondContact O-OG1 3.47Å; V204-T207 PolarHBondContact O-N 2.93Å; V204-T207 PolarHBondContact O-OG1 3.39Å; Q205-T207 VanDerWaalsContact C-N 3.27Å; Q205-T207 PolarHBondContact O-N 3.15Å; T207-F210 HydrophobicContact CG2-CD1 4.14Å; T207-F210 HydrophobicContact CG2-CE1 4.23Å; T207-F210 PolarHBondContact O-N 2.84Å; T207-F210 PolarHBondContact OG1-N 3.28Å; T207-N211 PolarHBondContact O-N 2.83Å; T207-N211 VanDerWaalsContact O-N 3.13Å; T207-F236 HydrophobicContact CG2-CB 3.82Å; T207-F236 HydrophobicContact CG2-CD1 3.89Å; T207-F236 HydrophobicContact CG2-CD2 3.41Å; T207-F236 VanDerWaalsContact CG2-CD2 3.41Å; T207-F236 HydrophobicContact CG2-CE1 4.31Å; T207-F236 HydrophobicContact CG2-CE2 3.89Å; T207-F236 HydrophobicContact CG2-CG 3.42Å; T207-F236 VanDerWaalsContact CG2-CG 3.42Å; T207-F236 HydrophobicContact CG2-CZ 4.31Å
208D94.7Very high92.3Very high97 Ų9765 Ų6552%0.51935%0.345SS..THydrogen-bonded Turntrans56.654.7-171.7-170.944.1000111.2V204 Q205 F210 N211V204-D208 PolarHBondContact O-N 3.48Å; V204-D208 VanDerWaalsContact O-N 3.13Å; Q205-D208 PolarHBondContact O-N 3.24Å; D208-F210 VanDerWaalsContact C-N 3.33Å; D208-F210 PolarHBondContact O-N 2.88Å; D208-N211 HydrophobicContact CB-CB 3.98Å; D208-N211 VanDerWaalsContact O-CB 3.32Å; D208-N211 WeakPolarHBondContact O-CB 3.1Å; D208-N211 PolarHBondContact O-N 3.48Å; D208-N211 PolarHBondContact OD2-ND2 2.88Å
209D93.6Very high91.3Very high115 Ų11565.5 Ų65.562%0.61536%0.356SS*.THydrogen-bonded Turntrans47.748.8-169.1-164.825.7000114V204 N211V204-D209 HydrophobicContact CG1-CB 4.09Å; V204-D209 PolarHBondContact O-N 2.94Å; D209-N211 VanDerWaalsContact C-N 3.28Å; D209-N211 PolarHBondContact O-N 2.86Å
210F93Very high90.1Very high10 Ų1067.2 Ų67.24%0.04437%0.365CS..THydrogen-bonded Turntrans53.343-175.5-56.4-87.6000113.1V203 V204 T207 D208 Q212 Y225 K238 F281V203-F210 HydrophobicContact CG1-CE1 3.93Å; V203-F210 HydrophobicContact CG1-CE2 4.41Å; V203-F210 HydrophobicContact CG1-CZ 3.55Å; V204-F210 HydrophobicContact CG2-CE2 4.27Å; T207-F210 HydrophobicContact CG2-CD1 4.14Å; T207-F210 HydrophobicContact CG2-CE1 4.23Å; T207-F210 PolarHBondContact O-N 2.84Å; T207-F210 PolarHBondContact OG1-N 3.28Å; D208-F210 VanDerWaalsContact C-N 3.33Å; D208-F210 PolarHBondContact O-N 2.88Å; F210-Q212 PolarHBondContact O-N 2.91Å; F210-Y225 HydrophobicContact CB-CD1 4.26Å; F210-Y225 HydrophobicContact CB-CD2 4.48Å; F210-Y225 HydrophobicContact CB-CE1 4Å; F210-Y225 HydrophobicContact CB-CE2 4.22Å; F210-Y225 HydrophobicContact CB-CG 4.49Å; F210-Y225 AromaticContact CD1-CD2 3.77Å; F210-Y225 HydrophobicContact CD1-CD2 3.77Å; F210-Y225 AromaticContact CD1-CE2 3.98Å; F210-Y225 HydrophobicContact CD1-CE2 3.98Å; F210-Y225 HydrophobicContact CD1-CG 4.2Å; F210-Y225 WeakPolarHBondContact O-CE1 3.49Å; F210-K238 HydrophobicContact CD1-CB 4.28Å; F210-K238 HydrophobicContact CD1-CD 3.7Å; F210-K238 HydrophobicContact CD1-CG 4.41Å; F210-K238 HydrophobicContact CD2-CD 4.21Å; F210-K238 HydrophobicContact CE1-CB 3.9Å; F210-K238 HydrophobicContact CE1-CD 3.62Å; F210-K238 HydrophobicContact CE1-CG 3.93Å; F210-K238 HydrophobicContact CE2-CD 4.13Å; F210-K238 HydrophobicContact CG-CD 3.97Å; F210-K238 HydrophobicContact CZ-CD 3.81Å; F210-K238 HydrophobicContact CZ-CG 4.19Å; F210-F281 AromaticContact CE2-CD1 3.98Å; F210-F281 HydrophobicContact CE2-CD1 3.98Å; F210-F281 AromaticContact CE2-CE1 3.7Å; F210-F281 HydrophobicContact CE2-CE1 3.7Å; F210-F281 HydrophobicContact CE2-CE2 4.29Å; F210-F281 HydrophobicContact CE2-CG 4.38Å; F210-F281 AromaticContact CE2-CZ 3.87Å; F210-F281 HydrophobicContact CE2-CZ 3.87Å; F210-F281 HydrophobicContact CZ-CD1 4.19Å; F210-F281 AromaticContact CZ-CD2 3.93Å; F210-F281 HydrophobicContact CZ-CD2 3.93Å; F210-F281 AromaticContact CZ-CE1 4Å; F210-F281 HydrophobicContact CZ-CE1 4Å; F210-F281 AromaticContact CZ-CE2 3.74Å; F210-F281 HydrophobicContact CZ-CE2 3.74Å; F210-F281 HydrophobicContact CZ-CG 4.16Å; F210-F281 AromaticContact CZ-CZ 3.76Å; F210-F281 HydrophobicContact CZ-CZ 3.76Å
211N93.3Very high89.1Confident44 Ų4466.6 Ų66.624%0.23536%0.362CS..  trans-46.7124.3-177.8-168.7-35.5000111.2T207 D208 D209 N213 H214T207-N211 PolarHBondContact O-N 2.83Å; T207-N211 VanDerWaalsContact O-N 3.13Å; D208-N211 HydrophobicContact CB-CB 3.98Å; D208-N211 VanDerWaalsContact O-CB 3.32Å; D208-N211 WeakPolarHBondContact O-CB 3.1Å; D208-N211 PolarHBondContact O-N 3.48Å; D208-N211 PolarHBondContact OD2-ND2 2.88Å; D209-N211 VanDerWaalsContact C-N 3.28Å; D209-N211 PolarHBondContact O-N 2.86Å; N211-N213 PolarHBondContact O-N 3.24Å; N211-N213 VanDerWaalsContact O-N 3.14Å; N211-N213 VanDerWaalsContact OD1-CB 3.31Å; N211-N213 WeakPolarHBondContact OD1-CB 3.43Å; N211-N213 PolarHBondContact OD1-N 2.78Å; N211-N213 PolarHBondContact OD1-ND2 3.37Å; N211-H214 WeakPolarHBondContact O-CA 3.45Å; N211-H214 WeakPolarHBondContact O-CB 3.39Å; N211-H214 PolarHBondContact O-N 3.04Å
212Q93.6Very high88.5Confident118 Ų11864 Ų6455%0.55134%0.34SS*.G310 helixtrans-60.8-25.9-177.2-170.172.1-1.600112.3F210 H214 K215F210-Q212 PolarHBondContact O-N 2.91Å; Q212-H214 PolarHBondContact O-N 2.78Å; Q212-K215 WeakPolarHBondContact O-CB 3.49Å; Q212-K215 PolarHBondContact O-N 2.97Å
213N93.6Very high88.3Confident145 Ų14562.7 Ų62.778%0.77533%0.333SS*.G310 helixtrans-68.7-21.4173.8-62.9-26.6000113.1N211N211-N213 PolarHBondContact O-N 3.24Å; N211-N213 VanDerWaalsContact O-N 3.14Å; N211-N213 VanDerWaalsContact OD1-CB 3.31Å; N211-N213 WeakPolarHBondContact OD1-CB 3.43Å; N211-N213 PolarHBondContact OD1-N 2.78Å; N211-N213 PolarHBondContact OD1-ND2 3.37Å
214H91.1Very high88.1Confident73 Ų7364.1 Ų64.134%0.33834%0.342SS..G310 helixtrans-95.15.2175.6-59.8148.2000112.9N211 Q212 I216 R226N211-H214 WeakPolarHBondContact O-CA 3.45Å; N211-H214 WeakPolarHBondContact O-CB 3.39Å; N211-H214 PolarHBondContact O-N 3.04Å; Q212-H214 PolarHBondContact O-N 2.78Å; H214-I216 PolarHBondContact O-N 2.8Å; H214-R226 HydrophobicContact CB-CB 4.48Å; H214-R226 WeakPolarHBondContact CB-O 3.26Å; H214-R226 PolarHBondContact O-N 3.49Å
215K93.3Very high88.1Confident38 Ų3862.7 Ų62.717%0.16533%0.331CS..EExtended strand (participates in β ladder)trans-73.6114.5-178.9-167.3169.1-170.7169.40111.5Q212 S217 D223 Y225Q212-K215 WeakPolarHBondContact O-CB 3.49Å; Q212-K215 PolarHBondContact O-N 2.97Å; K215-S217 VanDerWaalsContact CE-O 3.32Å; K215-S217 WeakPolarHBondContact CE-O 3.43Å; K215-D223 WeakPolarHBondContact CE-OD1 3.45Å; K215-D223 IonicContact NZ-OD1 3.34Å; K215-D223 PolarHBondContact NZ-OD1 3.34Å; K215-D223 IonicContact NZ-OD2 2.73Å; K215-D223 PolarHBondContact NZ-OD2 3.22Å; K215-D223 VanDerWaalsContact NZ-OD2 3.14Å; K215-Y225 HydrophobicContact CB-CD1 3.92Å; K215-Y225 HydrophobicContact CB-CE1 3.8Å; K215-Y225 HydrophobicContact CD-CE1 3.97Å; K215-Y225 HydrophobicContact CG-CD1 4.17Å; K215-Y225 HydrophobicContact CG-CE1 3.87Å
216I88.6Confident88.1Confident90 Ų9058.7 Ų58.746%0.46231%0.309SS..EExtended strand (participates in β ladder)trans-76.9-44.2177.3-58.6172.2000110.2H214 V224 R226 V235H214-I216 PolarHBondContact O-N 2.8Å; I216-V224 HydrophobicContact CB-CG1 4.31Å; I216-V224 HydrophobicContact CD1-CG1 4.37Å; I216-V224 PolarHBondContact N-O 2.82Å; I216-R226 HydrophobicContact CD1-CB 3.92Å; I216-R226 HydrophobicContact CG1-CB 4.03Å; I216-V235 HydrophobicContact CD1-CG1 4.32Å; I216-V235 HydrophobicContact CD1-CG2 3.91Å
217S83.6Confident88.1Confident58 Ų5858.3 Ų58.341%0.40631%0.306SS..EExtended strand (participates in β ladder)trans-154.6159179.572.20000113.8K215 V224K215-S217 VanDerWaalsContact CE-O 3.32Å; K215-S217 WeakPolarHBondContact CE-O 3.43Å; S217-V224 PolarHBondContact N-O 3.3Å; S217-V224 VanDerWaalsContact N-O 3.16Å; S217-V224 PolarHBondContact O-N 2.89Å; S217-V224 WeakPolarHBondContact OG-CB 3.46Å; S217-V224 WeakPolarHBondContact OG-CG2 3.31Å
218Q83.2Confident88.1Confident128 Ų12862.1 Ų62.160%0.59832%0.323SS*.EExtended strand (participates in β ladder)trans-118.1112.3176.4174.6151.6-50.400110.1D223 R240Q218-D223 WeakPolarHBondContact CA-OD1 3.31Å; Q218-D223 WeakPolarHBondContact CG-OD1 3.26Å; Q218-R240 VanDerWaalsContact CD-NH2 3.33Å
219G70.1Confident87.9Confident30 Ų3060.8 Ų60.831%0.30931%0.311SS..  trans-108.1173.5179.500000113.6A222 R240G219-A222 CarbonylContact C-O 3.57Å; G219-A222 WeakPolarHBondContact CA-O 3.31Å; G219-A222 PolarHBondContact N-O 3.1Å; G219-R240 WeakPolarHBondContact O-CD 3.21Å; G219-R240 PolarHBondContact O-NH1 3.07Å
220T68.1Low87.7Confident73 Ų7363.4 Ų63.445%0.44832%0.319SS..SBendtrans-70.3-44.8173.9-44.10000111.4
221F70.1Confident87.5Confident46 Ų4666 Ų6620%0.20235%0.35CS..SBendtrans-95.1-21.6-175.5-62.8-71000114.8R240 A243 M355 L374F221-R240 PolarHBondContact O-N 3.44Å; F221-A243 HydrophobicContact CD1-CB 3.64Å; F221-A243 HydrophobicContact CE1-CB 4.21Å; F221-M355 HydrophobicContact CE2-CE 3.81Å; F221-M355 HydrophobicContact CE2-SD 3.9Å; F221-M355 HydrophobicContact CZ-CE 4.17Å; F221-L374 HydrophobicContact CD2-CD2 4.24Å; F221-L374 HydrophobicContact CE2-CD1 3.48Å; F221-L374 VanDerWaalsContact CE2-CD1 3.48Å; F221-L374 HydrophobicContact CE2-CD2 3.66Å; F221-L374 HydrophobicContact CE2-CG 4.17Å; F221-L374 HydrophobicContact CZ-CD1 3.63Å; F221-L374 HydrophobicContact CZ-CD2 4.5Å
222A82.1Confident87.4Confident11 Ų1167.5 Ų67.59%0.09136%0.36CS..EExtended strand (participates in β ladder)trans-154.8152.9-174.900000110.6G219 K237 K238 L239G219-A222 CarbonylContact C-O 3.57Å; G219-A222 WeakPolarHBondContact CA-O 3.31Å; G219-A222 PolarHBondContact N-O 3.1Å; A222-K237 HydrophobicContact CB-CG 3.77Å; A222-K238 CarbonylContact C-O 3.58Å; A222-K238 WeakPolarHBondContact CA-O 3.35Å; A222-K238 WeakPolarHBondContact CB-O 3.34Å; A222-L239 HydrophobicContact CB-CD2 4.05Å
223D87.9Confident87.5Confident15 Ų1563.9 Ų63.98%0.0835%0.347CS..EExtended strand (participates in β ladder)trans-103.4144.5163.4-76.3-44.8000109.4K215 Q218 Y225 K237 K238 R240K215-D223 WeakPolarHBondContact CE-OD1 3.45Å; K215-D223 IonicContact NZ-OD1 3.34Å; K215-D223 PolarHBondContact NZ-OD1 3.34Å; K215-D223 IonicContact NZ-OD2 2.73Å; K215-D223 PolarHBondContact NZ-OD2 3.22Å; K215-D223 VanDerWaalsContact NZ-OD2 3.14Å; Q218-D223 WeakPolarHBondContact CA-OD1 3.31Å; Q218-D223 WeakPolarHBondContact CG-OD1 3.26Å; D223-Y225 HydrophobicContact CB-CD2 4.29Å; D223-Y225 HydrophobicContact CB-CE2 3.43Å; D223-Y225 VanDerWaalsContact CB-CE2 3.43Å; D223-K237 CarbonylContact O-C 3.55Å; D223-K237 WeakPolarHBondContact O-CA 3.16Å; D223-K238 PolarHBondContact N-O 2.96Å; D223-K238 PolarHBondContact O-N 3.13Å; D223-R240 VanDerWaalsContact CG-NH2 3.31Å; D223-R240 IonicContact OD1-CZ 3.71Å; D223-R240 IonicContact OD1-NE 3.23Å; D223-R240 PolarHBondContact OD1-NE 2.84Å; D223-R240 VanDerWaalsContact OD1-NE 3.16Å; D223-R240 IonicContact OD1-NH2 2.6Å; D223-R240 PolarHBondContact OD1-NH2 3.06Å; D223-R240 IonicContact OD2-CZ 3.14Å; D223-R240 IonicContact OD2-NE 3.37Å; D223-R240 PolarHBondContact OD2-NE 3.35Å; D223-R240 IonicContact OD2-NH2 2.71Å; D223-R240 PolarHBondContact OD2-NH2 3.19Å
224V91.1Very high87.6Confident31 Ų3158.3 Ų58.319%0.18832%0.316CS..EExtended strand (participates in β ladder)trans-117.3122.1-176.9-173.90000109.6I216 S217 V235 F236I216-V224 HydrophobicContact CB-CG1 4.31Å; I216-V224 HydrophobicContact CD1-CG1 4.37Å; I216-V224 PolarHBondContact N-O 2.82Å; S217-V224 PolarHBondContact N-O 3.3Å; S217-V224 VanDerWaalsContact N-O 3.16Å; S217-V224 PolarHBondContact O-N 2.89Å; S217-V224 WeakPolarHBondContact OG-CB 3.46Å; S217-V224 WeakPolarHBondContact OG-CG2 3.31Å; V224-V235 HydrophobicContact CG1-CG1 3.37Å; V224-F236 WeakPolarHBondContact CA-O 3.29Å
225Y94Very high87.8Confident15 Ų1555.8 Ų55.86%0.05931%0.305CS..EExtended strand (participates in β ladder)trans-117.7146-177.9-62-94.3000111F210 K215 D223 V235 F236 K238F210-Y225 HydrophobicContact CB-CD1 4.26Å; F210-Y225 HydrophobicContact CB-CD2 4.48Å; F210-Y225 HydrophobicContact CB-CE1 4Å; F210-Y225 HydrophobicContact CB-CE2 4.22Å; F210-Y225 HydrophobicContact CB-CG 4.49Å; F210-Y225 AromaticContact CD1-CD2 3.77Å; F210-Y225 HydrophobicContact CD1-CD2 3.77Å; F210-Y225 AromaticContact CD1-CE2 3.98Å; F210-Y225 HydrophobicContact CD1-CE2 3.98Å; F210-Y225 HydrophobicContact CD1-CG 4.2Å; F210-Y225 WeakPolarHBondContact O-CE1 3.49Å; K215-Y225 HydrophobicContact CB-CD1 3.92Å; K215-Y225 HydrophobicContact CB-CE1 3.8Å; K215-Y225 HydrophobicContact CD-CE1 3.97Å; K215-Y225 HydrophobicContact CG-CD1 4.17Å; K215-Y225 HydrophobicContact CG-CE1 3.87Å; D223-Y225 HydrophobicContact CB-CD2 4.29Å; D223-Y225 HydrophobicContact CB-CE2 3.43Å; D223-Y225 VanDerWaalsContact CB-CE2 3.43Å; Y225-V235 CarbonylContact O-C 3.59Å; Y225-V235 WeakPolarHBondContact O-CA 3.35Å; Y225-F236 PolarHBondContact N-O 3.28Å; Y225-F236 PolarHBondContact O-N 2.67Å; Y225-K238 HydrophobicContact CD2-CB 4.47Å; Y225-K238 HydrophobicContact CE2-CB 4.27Å
226R94.8Very high87.8Confident86 Ų8654 Ų5433%0.32530%0.298SS..EExtended strand (participates in β ladder)trans-80.3147.6162.3-165.9170.9179.2-111.6-4.4108.4H214 I216 H228 Y288H214-R226 HydrophobicContact CB-CB 4.48Å; H214-R226 WeakPolarHBondContact CB-O 3.26Å; H214-R226 PolarHBondContact O-N 3.49Å; I216-R226 HydrophobicContact CD1-CB 3.92Å; I216-R226 HydrophobicContact CG1-CB 4.03Å; R226-H228 PolarHBondContact NH1-CE1 3.36Å; R226-H228 PolarHBondContact NH2-NE2 3.3Å; R226-Y288 HydrophobicContact CG-CD2 4.32Å; R226-Y288 HydrophobicContact CG-CE2 4.34Å
227G95.3Very high87.9Confident1 Ų150.5 Ų50.51%0.0128%0.279CS..EExtended strand (participates in β ladder)trans-156.4176171.700000111.4A206 P233 F234A206-G227 CarbonylContact O-C 3.53Å; A206-G227 WeakPolarHBondContact O-CA 3.48Å; G227-P233 WeakPolarHBondContact O-CA 3.26Å; G227-F234 PolarHBondContact N-O 2.78Å; G227-F234 PolarHBondContact O-N 3.12Å
228H94.4Very high88.3Confident80 Ų8050.2 Ų50.237%0.3727%0.271SS..EExtended strand (participates in β ladder)trans-137.5138.4179.2-59.184.5000111A206 R226 T232A206-H228 VanDerWaalsContact CA-O 3.31Å; A206-H228 WeakPolarHBondContact CA-O 3.33Å; A206-H228 WeakPolarHBondContact CB-O 3.34Å; A206-H228 PolarHBondContact O-N 3.16Å; R226-H228 PolarHBondContact NH1-CE1 3.36Å; R226-H228 PolarHBondContact NH2-NE2 3.3Å; H228-T232 CarbonylContact C-O 3.59Å; H228-T232 VanDerWaalsContact CA-O 3.27Å; H228-T232 WeakPolarHBondContact CA-O 3.41Å
229R91.3Very high88.4Confident69 Ų6944.7 Ų44.726%0.2625%0.245SC..EExtended strand (participates in β ladder)trans-131126171.4-178.8-178.9-176147.613.7108.8W198 D202 A206 G231 T232 F234W198-R229 VanDerWaalsContact CE3-NH1 3.33Å; W198-R229 HydrophobicContact CH2-CB 4.03Å; W198-R229 HydrophobicContact CH2-CG 4.31Å; W198-R229 HydrophobicContact CZ3-CB 4.19Å; W198-R229 VanDerWaalsContact CZ3-CD 3.45Å; W198-R229 HydrophobicContact CZ3-CG 4.4Å; D202-R229 IonicContact OD2-CZ 3.77Å; D202-R229 IonicContact OD2-NH1 3.84Å; D202-R229 PolarHBondContact OD2-NH1 2.93Å; D202-R229 IonicContact OD2-NH2 2.71Å; D202-R229 PolarHBondContact OD2-NH2 3.13Å; A206-R229 HydrophobicContact CB-CB 4.31Å; R229-G231 PolarHBondContact O-N 2.75Å; R229-T232 PolarHBondContact N-O 3.28Å; R229-T232 WeakPolarHBondContact O-CB 3.4Å; R229-T232 PolarHBondContact O-N 2.88Å; R229-F234 HydrophobicContact CB-CD2 4.07Å; R229-F234 HydrophobicContact CB-CE2 3.88Å
230H89.6Confident88.8Confident170 Ų17046.2 Ų46.279%0.78724%0.241SC*.THydrogen-bonded Turntrans49.339.4-175.7-46.8-53.6000113.3T232H230-T232 PolarHBondContact O-N 3.39Å
231G88.4Confident88.7Confident66 Ų6650.1 Ų50.168%0.6826%0.255SS*.THydrogen-bonded Turntrans82.2-20.6-176.900000115.4R229R229-G231 PolarHBondContact O-N 2.75Å
232T92.1Very high88Confident75 Ų7554.1 Ų54.146%0.4628%0.283SS..EExtended strand (participates in β ladder)trans-76.7131.5178.6-55.30000111.5H228 R229 H230 F234H228-T232 CarbonylContact C-O 3.59Å; H228-T232 VanDerWaalsContact CA-O 3.27Å; H228-T232 WeakPolarHBondContact CA-O 3.41Å; R229-T232 PolarHBondContact N-O 3.28Å; R229-T232 WeakPolarHBondContact O-CB 3.4Å; R229-T232 PolarHBondContact O-N 2.88Å; H230-T232 PolarHBondContact O-N 3.39Å; T232-F234 HydrophobicContact CG2-CD2 4.38Å; T232-F234 HydrophobicContact CG2-CE2 3.68Å; T232-F234 HydrophobicContact CG2-CZ 3.77Å; T232-F234 VanDerWaalsContact O-CD2 3.23Å; T232-F234 WeakPolarHBondContact O-CD2 3.06Å; T232-F234 WeakPolarHBondContact O-CE2 3.44Å
233P94.4Very high86.5Confident42 Ų4254.2 Ų54.227%0.27328%0.284SS..EExtended strand (participates in β ladder)trans-80.9135.9177.731.9-34.5000112.7G227 Y288G227-P233 WeakPolarHBondContact O-CA 3.26Å; P233-Y288 HydrophobicContact CB-CD1 4.14Å; P233-Y288 HydrophobicContact CB-CG 4.1Å; P233-Y288 HydrophobicContact CG-CD1 4.17Å; P233-Y288 HydrophobicContact CG-CG 4.46Å; P233-Y288 WeakPolarHBondContact O-CB 3.45Å
234F95.5Very high84.6Confident27 Ų2754.8 Ų54.812%0.11829%0.289CS..EExtended strand (participates in β ladder)trans-130.9166.4179.4-67.9-84.9000111.6W198 G227 R229 T232 F236 L273 I285W198-F234 HydrophobicContact CH2-CD1 4.39Å; W198-F234 HydrophobicContact CH2-CD2 4.09Å; W198-F234 HydrophobicContact CH2-CE1 4.36Å; W198-F234 HydrophobicContact CH2-CE2 4.07Å; W198-F234 HydrophobicContact CH2-CG 4.26Å; W198-F234 HydrophobicContact CH2-CZ 4.21Å; W198-F234 HydrophobicContact CZ2-CE1 4.31Å; W198-F234 HydrophobicContact CZ2-CZ 4.35Å; G227-F234 PolarHBondContact N-O 2.78Å; G227-F234 PolarHBondContact O-N 3.12Å; R229-F234 HydrophobicContact CB-CD2 4.07Å; R229-F234 HydrophobicContact CB-CE2 3.88Å; T232-F234 HydrophobicContact CG2-CD2 4.38Å; T232-F234 HydrophobicContact CG2-CE2 3.68Å; T232-F234 HydrophobicContact CG2-CZ 3.77Å; T232-F234 VanDerWaalsContact O-CD2 3.23Å; T232-F234 WeakPolarHBondContact O-CD2 3.06Å; T232-F234 WeakPolarHBondContact O-CE2 3.44Å; F234-F236 HydrophobicContact CB-CD2 4.38Å; F234-F236 HydrophobicContact CB-CE2 3.59Å; F234-F236 HydrophobicContact CB-CZ 3.89Å; F234-L273 HydrophobicContact CD1-CD1 4.26Å; F234-L273 HydrophobicContact CE1-CD1 3.88Å; F234-I285 HydrophobicContact CB-CG2 4.12Å; F234-I285 HydrophobicContact CD1-CG2 3.73Å; F234-I285 HydrophobicContact CE1-CG2 4.49Å; F234-I285 HydrophobicContact CG-CG2 4.15Å
235V95.4Very high82.7Confident20 Ų2058.4 Ų58.412%0.12132%0.315CS..EExtended strand (participates in β ladder)trans-121.5128.2175.3172.80000109.7I216 V224 Y225 I285 Y286 Y288I216-V235 HydrophobicContact CD1-CG1 4.32Å; I216-V235 HydrophobicContact CD1-CG2 3.91Å; V224-V235 HydrophobicContact CG1-CG1 3.37Å; Y225-V235 CarbonylContact O-C 3.59Å; Y225-V235 WeakPolarHBondContact O-CA 3.35Å; V235-I285 WeakPolarHBondContact O-CA 3.36Å; V235-Y286 PolarHBondContact N-O 3.21Å; V235-Y286 PolarHBondContact O-N 2.84Å; V235-Y288 HydrophobicContact CG2-CD2 3.84Å
236F93.9Very high80.8Confident0 Ų060.6 Ų60.60%033%0.333CS..EExtended strand (participates in β ladder)trans-115.4112.3-173.9-62.5-96.3000110.3W198 V203 A206 T207 V224 Y225 F234 K238 I285W198-F236 HydrophobicContact CE3-CE1 4.08Å; W198-F236 HydrophobicContact CH2-CZ 4.4Å; W198-F236 AromaticContact CZ3-CE1 3.81Å; W198-F236 HydrophobicContact CZ3-CE1 3.81Å; W198-F236 AromaticContact CZ3-CZ 3.81Å; W198-F236 HydrophobicContact CZ3-CZ 3.81Å; V203-F236 HydrophobicContact CG1-CD1 3.8Å; V203-F236 HydrophobicContact CG1-CE1 4.17Å; V203-F236 HydrophobicContact CG2-CD1 4.39Å; V203-F236 HydrophobicContact CG2-CE1 4.22Å; A206-F236 HydrophobicContact CB-CE1 4.28Å; A206-F236 HydrophobicContact CB-CE2 4.21Å; A206-F236 HydrophobicContact CB-CZ 3.59Å; T207-F236 HydrophobicContact CG2-CB 3.82Å; T207-F236 HydrophobicContact CG2-CD1 3.89Å; T207-F236 HydrophobicContact CG2-CD2 3.41Å; T207-F236 VanDerWaalsContact CG2-CD2 3.41Å; T207-F236 HydrophobicContact CG2-CE1 4.31Å; T207-F236 HydrophobicContact CG2-CE2 3.89Å; T207-F236 HydrophobicContact CG2-CG 3.42Å; T207-F236 VanDerWaalsContact CG2-CG 3.42Å; T207-F236 HydrophobicContact CG2-CZ 4.31Å; V224-F236 WeakPolarHBondContact CA-O 3.29Å; Y225-F236 PolarHBondContact N-O 3.28Å; Y225-F236 PolarHBondContact O-N 2.67Å; F234-F236 HydrophobicContact CB-CD2 4.38Å; F234-F236 HydrophobicContact CB-CE2 3.59Å; F234-F236 HydrophobicContact CB-CZ 3.89Å; F236-K238 PolarHBondContact O-N 3.21Å; F236-I285 HydrophobicContact CD1-CG1 3.62Å; F236-I285 HydrophobicContact CE1-CB 4.5Å; F236-I285 HydrophobicContact CE1-CG1 3.52Å; F236-I285 HydrophobicContact CE1-CG2 4.21Å; F236-I285 HydrophobicContact CZ-CG2 4.46Å
237K91.7Very high79Confident18 Ų1862.2 Ų62.28%0.07836%0.355CS..EExtended strand (participates in β ladder)trans-93.888.4178.1178.3-174.5173-173.90109.1A222 D223 E257 S283 F284 Y286 H353A222-K237 HydrophobicContact CB-CG 3.77Å; D223-K237 CarbonylContact O-C 3.55Å; D223-K237 WeakPolarHBondContact O-CA 3.16Å; K237-E257 IonicContact NZ-OE1 3.16Å; K237-E257 PolarHBondContact NZ-OE1 2.69Å; K237-S283 WeakPolarHBondContact O-CA 3.45Å; K237-S283 PolarHBondContact O-OG 2.87Å; K237-F284 HydrophobicContact CB-CB 4.36Å; K237-F284 HydrophobicContact CD-CD2 4.42Å; K237-F284 PolarHBondContact N-O 3.06Å; K237-F284 PolarHBondContact O-N 2.91Å; K237-Y286 HydrophobicContact CB-CD2 4.31Å; K237-Y286 HydrophobicContact CB-CE2 3.76Å; K237-Y286 HydrophobicContact CD-CE2 3.66Å; K237-Y286 HydrophobicContact CG-CE2 4.4Å; K237-Y286 PolarHBondContact NZ-OH 2.6Å; K237-H353 PolarHBondContact NZ-O 3.05Å
238K90.8Very high77.5Confident52 Ų5263.9 Ų63.923%0.22637%0.372CS..EExtended strand (participates in β ladder)trans-77.3116.8178.3-169-177.1-164162.90109.5F210 A222 D223 Y225 F236 F281F210-K238 HydrophobicContact CD1-CB 4.28Å; F210-K238 HydrophobicContact CD1-CD 3.7Å; F210-K238 HydrophobicContact CD1-CG 4.41Å; F210-K238 HydrophobicContact CD2-CD 4.21Å; F210-K238 HydrophobicContact CE1-CB 3.9Å; F210-K238 HydrophobicContact CE1-CD 3.62Å; F210-K238 HydrophobicContact CE1-CG 3.93Å; F210-K238 HydrophobicContact CE2-CD 4.13Å; F210-K238 HydrophobicContact CG-CD 3.97Å; F210-K238 HydrophobicContact CZ-CD 3.81Å; F210-K238 HydrophobicContact CZ-CG 4.19Å; A222-K238 CarbonylContact C-O 3.58Å; A222-K238 WeakPolarHBondContact CA-O 3.35Å; A222-K238 WeakPolarHBondContact CB-O 3.34Å; D223-K238 PolarHBondContact N-O 2.96Å; D223-K238 PolarHBondContact O-N 3.13Å; Y225-K238 HydrophobicContact CD2-CB 4.47Å; Y225-K238 HydrophobicContact CE2-CB 4.27Å; F236-K238 PolarHBondContact O-N 3.21Å; K238-F281 HydrophobicContact CG-CB 4.17Å
239L85.6Confident76.2Confident12 Ų1261.9 Ų61.96%0.06337%0.367CS..EExtended strand (participates in β ladder)trans-69.6146.5179.1-60.2-171.4000111.8A222 I250 F253 F254 H282 F284A222-L239 HydrophobicContact CB-CD2 4.05Å; L239-I250 HydrophobicContact CB-CD1 3.84Å; L239-I250 HydrophobicContact CB-CG1 4.12Å; L239-I250 HydrophobicContact CD1-CG1 4.23Å; L239-F253 HydrophobicContact CD1-CD1 3.95Å; L239-F253 HydrophobicContact CD1-CE1 4.44Å; L239-F253 HydrophobicContact CD2-CD1 4.31Å; L239-F253 HydrophobicContact CD2-CE1 4.02Å; L239-F254 HydrophobicContact CD1-CB 3.85Å; L239-F254 HydrophobicContact CD1-CD2 4Å; L239-F254 HydrophobicContact CD1-CG 4.43Å; L239-H282 HydrophobicContact CB-CB 4.24Å; L239-H282 HydrophobicContact CD1-CB 3.87Å; L239-H282 HydrophobicContact CG-CB 4.18Å; L239-H282 PolarHBondContact N-O 3.4Å; L239-F284 HydrophobicContact CD1-CE2 4.38Å
240R78.3Confident75.3Confident61 Ų6160 Ų6023%0.2336%0.362CS..PPolyproline II helixtrans-102.2123.2-177.8-74.1178.5154.8-153.1-17.4112Q218 G219 F221 D223 T242 A243Q218-R240 VanDerWaalsContact CD-NH2 3.33Å; G219-R240 WeakPolarHBondContact O-CD 3.21Å; G219-R240 PolarHBondContact O-NH1 3.07Å; F221-R240 PolarHBondContact O-N 3.44Å; D223-R240 VanDerWaalsContact CG-NH2 3.31Å; D223-R240 IonicContact OD1-CZ 3.71Å; D223-R240 IonicContact OD1-NE 3.23Å; D223-R240 PolarHBondContact OD1-NE 2.84Å; D223-R240 VanDerWaalsContact OD1-NE 3.16Å; D223-R240 IonicContact OD1-NH2 2.6Å; D223-R240 PolarHBondContact OD1-NH2 3.06Å; D223-R240 IonicContact OD2-CZ 3.14Å; D223-R240 IonicContact OD2-NE 3.37Å; D223-R240 PolarHBondContact OD2-NE 3.35Å; D223-R240 IonicContact OD2-NH2 2.71Å; D223-R240 PolarHBondContact OD2-NH2 3.19Å; R240-T242 VanDerWaalsContact C-N 3.34Å; R240-T242 PolarHBondContact O-N 3.38Å; R240-A243 PolarHBondContact O-N 3.08Å
241E65.9Low74.7Confident156 Ų15655.3 Ų55.373%0.72934%0.34SS*.G310 helixtrans-64.9-35.8177.1-168.7165.5-137.100112.6A243 C244E241-A243 PolarHBondContact O-N 3.23Å; E241-C244 WeakPolarHBondContact O-CB 3.34Å; E241-C244 PolarHBondContact O-N 3.01Å
242T55.9Low74Confident129 Ų12959.4 Ų59.479%0.79134%0.335SS*.G310 helixtrans-62.2-16.6-179.751.10000115R240 C244R240-T242 VanDerWaalsContact C-N 3.34Å; R240-T242 PolarHBondContact O-N 3.38Å; T242-C244 VanDerWaalsContact C-N 3.29Å
243A49.3Very low73.2Confident13 Ų1358.3 Ų58.311%0.10732%0.324CS..G310 helixtrans-77-16.3173.700000113.5F221 R240 E241 K371F221-A243 HydrophobicContact CD1-CB 3.64Å; F221-A243 HydrophobicContact CE1-CB 4.21Å; R240-A243 PolarHBondContact O-N 3.08Å; E241-A243 PolarHBondContact O-N 3.23Å; A243-K371 PolarHBondContact O-NZ 3.19Å
244C49.6Very low72.5Confident27 Ų2756.3 Ų56.318%0.18231%0.311CS..  trans-108.286.4-164.6-75.20000111.8E241 T242 S246 I250E241-C244 WeakPolarHBondContact O-CB 3.34Å; E241-C244 PolarHBondContact O-N 3.01Å; T242-C244 VanDerWaalsContact C-N 3.29Å; C244-S246 PolarHBondContact O-N 3.41Å; C244-I250 HydrophobicContact CB-CB 4.33Å; C244-I250 VanDerWaalsContact SG-CA 3.59Å; C244-I250 PolarHBondContact SG-N 3.38Å; C244-I250 VanDerWaalsContact SG-N 3.44Å
245S50.1Low71.8Confident107 Ų10758.7 Ų58.775%0.74832%0.322SS*.  trans-66.79.5-174.1-42.40000116.1K371S245-K371 PolarHBondContact OG-NZ 2.85Å
246S55.1Low70.8Confident62 Ų6260.2 Ų60.243%0.43434%0.337SS..SBendtrans-152.7149.3176.864.50000112.5C244 G248 S249C244-S246 PolarHBondContact O-N 3.41Å; S246-G248 PolarHBondContact O-N 3.49Å; S246-S249 WeakPolarHBondContact O-CB 3.24Å; S246-S249 PolarHBondContact O-N 3.19Å
247P55.5Low70.2Confident120 Ų12060.5 Ų60.578%0.77934%0.339SS*.THydrogen-bonded Turntrans-53.1137.4178.8-29.336.5000113.8S249 R252P247-S249 PolarHBondContact O-N 2.81Å; P247-R252 PolarHBondContact O-NH1 3.3Å; P247-R252 PolarHBondContact O-NH2 2.79Å
248G63.8Low69.7Low36 Ų3660.2 Ų60.237%0.37134%0.338SS..THydrogen-bonded Turntrans68.45.5-17700000115.1S246 I250 E251 R252S246-G248 PolarHBondContact O-N 3.49Å; G248-I250 VanDerWaalsContact C-N 3.29Å; G248-I250 PolarHBondContact O-N 3.29Å; G248-E251 PolarHBondContact O-N 2.98Å; G248-R252 VanDerWaalsContact C-NH1 3.27Å; G248-R252 WeakPolarHBondContact O-CG 3.13Å; G248-R252 PolarHBondContact O-N 3.38Å; G248-R252 PolarHBondContact O-NH1 2.93Å
249S68Low69.2Low37 Ų3762.9 Ų62.926%0.25935%0.351SS..Hα-helixtrans-69.6-26.5178.2-177.50000112.9S246 P247 F253S246-S249 WeakPolarHBondContact O-CB 3.24Å; S246-S249 PolarHBondContact O-N 3.19Å; P247-S249 PolarHBondContact O-N 2.81Å; S249-F253 WeakPolarHBondContact O-CB 3.45Å; S249-F253 PolarHBondContact O-N 2.93Å; S249-F253 VanDerWaalsContact O-N 3.13Å
250I72.6Confident68.8Low30 Ų3062.5 Ų62.515%0.15435%0.349CS..Hα-helixtrans-71.3-41.5173.6-169.5164.3000111.4L239 C244 G248 F253 F254L239-I250 HydrophobicContact CB-CD1 3.84Å; L239-I250 HydrophobicContact CB-CG1 4.12Å; L239-I250 HydrophobicContact CD1-CG1 4.23Å; C244-I250 HydrophobicContact CB-CB 4.33Å; C244-I250 VanDerWaalsContact SG-CA 3.59Å; C244-I250 PolarHBondContact SG-N 3.38Å; C244-I250 VanDerWaalsContact SG-N 3.44Å; G248-I250 VanDerWaalsContact C-N 3.29Å; G248-I250 PolarHBondContact O-N 3.29Å; I250-F253 PolarHBondContact O-N 3.19Å; I250-F254 WeakPolarHBondContact O-CB 3.43Å; I250-F254 PolarHBondContact O-N 3.08Å
251E76Confident69Low71 Ų7160.1 Ų60.133%0.33234%0.342SS..Hα-helixtrans-59.5-49.7173.2-176.459-142.500111.2G248 F253 F254 Q255 H282G248-E251 PolarHBondContact O-N 2.98Å; E251-F253 VanDerWaalsContact C-N 3.26Å; E251-F253 PolarHBondContact O-N 3Å; E251-F254 PolarHBondContact O-N 3.35Å; E251-Q255 HydrophobicContact CG-CG 4.41Å; E251-Q255 WeakPolarHBondContact O-CB 3.46Å; E251-Q255 WeakPolarHBondContact O-CG 3.46Å; E251-Q255 PolarHBondContact O-N 2.86Å; E251-Q255 WeakPolarHBondContact OE1-CG 3.25Å; E251-Q255 PolarHBondContact OE1-NE2 3.18Å; E251-H282 IonicContact OE2-CE1 2.65Å; E251-H282 IonicContact OE2-NE2 2.77Å; E251-H282 PolarHBondContact OE2-NE2 2.85Å
252R74.2Confident69.6Low152 Ų15257.3 Ų57.357%0.57433%0.331SS*.Hα-helixtrans-60.3-35.6177.6-66.9176.2-153.3103.88.8112.5P247 G248 A256P247-R252 PolarHBondContact O-NH1 3.3Å; P247-R252 PolarHBondContact O-NH2 2.79Å; G248-R252 VanDerWaalsContact C-NH1 3.27Å; G248-R252 WeakPolarHBondContact O-CG 3.13Å; G248-R252 PolarHBondContact O-N 3.38Å; G248-R252 PolarHBondContact O-NH1 2.93Å; R252-A256 VanDerWaalsContact O-CB 3.26Å; R252-A256 WeakPolarHBondContact O-CB 3.26Å; R252-A256 PolarHBondContact O-N 2.69Å; R252-A256 VanDerWaalsContact O-N 3.13Å
253F74.6Confident70.8Confident53 Ų5356.5 Ų56.523%0.23231%0.314CS..Hα-helixtrans-70.6-46.4174.8-178.4-88.3000111.5L239 S249 I250 E251 A256 E257L239-F253 HydrophobicContact CD1-CD1 3.95Å; L239-F253 HydrophobicContact CD1-CE1 4.44Å; L239-F253 HydrophobicContact CD2-CD1 4.31Å; L239-F253 HydrophobicContact CD2-CE1 4.02Å; S249-F253 WeakPolarHBondContact O-CB 3.45Å; S249-F253 PolarHBondContact O-N 2.93Å; S249-F253 VanDerWaalsContact O-N 3.13Å; I250-F253 PolarHBondContact O-N 3.19Å; E251-F253 VanDerWaalsContact C-N 3.26Å; E251-F253 PolarHBondContact O-N 3Å; F253-A256 PolarHBondContact O-N 3.11Å; F253-E257 WeakPolarHBondContact O-CB 3.38Å; F253-E257 PolarHBondContact O-N 2.82Å
254F81.4Confident72.4Confident0 Ų056.4 Ų56.40%031%0.312CS..Hα-helixtrans-57.6-50.2177177-100.4000111.6L239 I250 E251 A256 E257 L258 F275 A277 H282 F284L239-F254 HydrophobicContact CD1-CB 3.85Å; L239-F254 HydrophobicContact CD1-CD2 4Å; L239-F254 HydrophobicContact CD1-CG 4.43Å; I250-F254 WeakPolarHBondContact O-CB 3.43Å; I250-F254 PolarHBondContact O-N 3.08Å; E251-F254 PolarHBondContact O-N 3.35Å; F254-A256 PolarHBondContact O-N 2.88Å; F254-E257 PolarHBondContact O-N 3.11Å; F254-L258 HydrophobicContact CE1-CD2 4.09Å; F254-L258 HydrophobicContact CZ-CD2 4.4Å; F254-L258 VanDerWaalsContact O-CB 3.23Å; F254-L258 WeakPolarHBondContact O-CB 3.4Å; F254-L258 PolarHBondContact O-N 3.33Å; F254-F275 HydrophobicContact CE1-CD2 4.46Å; F254-F275 HydrophobicContact CE2-CB 4.25Å; F254-F275 HydrophobicContact CZ-CB 3.96Å; F254-F275 AromaticContact CZ-CD2 3.79Å; F254-F275 HydrophobicContact CZ-CD2 3.79Å; F254-F275 HydrophobicContact CZ-CG 4.15Å; F254-A277 HydrophobicContact CE1-CB 3.83Å; F254-A277 HydrophobicContact CZ-CB 4.02Å; F254-H282 AromaticContact CD1-CD2 3.65Å; F254-H282 HydrophobicContact CD2-CB 3.8Å; F254-H282 AromaticContact CD2-CD2 3.86Å; F254-H282 AromaticContact CE1-CD2 3.94Å; F254-H282 HydrophobicContact CE2-CB 4.29Å; F254-H282 HydrophobicContact CG-CB 4.2Å; F254-H282 AromaticContact CG-CD2 3.61Å; F254-F284 HydrophobicContact CD2-CD2 4.32Å; F254-F284 HydrophobicContact CD2-CE1 4.21Å; F254-F284 AromaticContact CD2-CE2 3.48Å; F254-F284 HydrophobicContact CD2-CE2 3.48Å; F254-F284 VanDerWaalsContact CD2-CE2 3.48Å; F254-F284 AromaticContact CD2-CZ 3.41Å; F254-F284 HydrophobicContact CD2-CZ 3.41Å; F254-F284 VanDerWaalsContact CD2-CZ 3.41Å; F254-F284 HydrophobicContact CE2-CD1 4.38Å; F254-F284 HydrophobicContact CE2-CD2 4.34Å; F254-F284 AromaticContact CE2-CE1 3.83Å; F254-F284 HydrophobicContact CE2-CE1 3.83Å; F254-F284 AromaticContact CE2-CE2 3.8Å; F254-F284 HydrophobicContact CE2-CE2 3.8Å; F254-F284 AromaticContact CE2-CZ 3.51Å; F254-F284 HydrophobicContact CE2-CZ 3.51Å; F254-F284 HydrophobicContact CG-CZ 4.23Å; F254-F284 HydrophobicContact CZ-CE1 4.47Å; F254-F284 HydrophobicContact CZ-CZ 4.39Å
255Q80.3Confident74.3Confident76 Ų7659.8 Ų59.836%0.35534%0.335SS..Hα-helixtrans-62.8-40177.2-66.1-64.3-18.900112.3E251 L258 Q259E251-Q255 HydrophobicContact CG-CG 4.41Å; E251-Q255 WeakPolarHBondContact O-CB 3.46Å; E251-Q255 WeakPolarHBondContact O-CG 3.46Å; E251-Q255 PolarHBondContact O-N 2.86Å; E251-Q255 WeakPolarHBondContact OE1-CG 3.25Å; E251-Q255 PolarHBondContact OE1-NE2 3.18Å; Q255-L258 PolarHBondContact O-N 3.21Å; Q255-Q259 VanDerWaalsContact O-CB 3.31Å; Q255-Q259 WeakPolarHBondContact O-CB 3.43Å; Q255-Q259 WeakPolarHBondContact O-CG 3.39Å; Q255-Q259 PolarHBondContact O-N 3.03Å
256A75.1Confident76.3Confident53 Ų5356.8 Ų56.844%0.43831%0.309SS..Hα-helixtrans-65.4-43.6177.300000112.6R252 F253 F254 I260R252-A256 VanDerWaalsContact O-CB 3.26Å; R252-A256 WeakPolarHBondContact O-CB 3.26Å; R252-A256 PolarHBondContact O-N 2.69Å; R252-A256 VanDerWaalsContact O-N 3.13Å; F253-A256 PolarHBondContact O-N 3.11Å; F254-A256 PolarHBondContact O-N 2.88Å; A256-I260 WeakPolarHBondContact O-CG1 3.02Å; A256-I260 PolarHBondContact O-N 3.11Å
257E79.4Confident78.1Confident6 Ų658.2 Ų58.23%0.02832%0.317CS..Hα-helixtrans-66.7-41.9176.4-170.388.6124.100111K237 F253 F254 I260 C261 F284K237-E257 IonicContact NZ-OE1 3.16Å; K237-E257 PolarHBondContact NZ-OE1 2.69Å; F253-E257 WeakPolarHBondContact O-CB 3.38Å; F253-E257 PolarHBondContact O-N 2.82Å; F254-E257 PolarHBondContact O-N 3.11Å; E257-I260 PolarHBondContact O-N 2.97Å; E257-C261 WeakPolarHBondContact O-CB 3.5Å; E257-C261 PolarHBondContact O-N 3.3Å; E257-C261 PolarHBondContact O-SG 2.99Å; E257-F284 HydrophobicContact CB-CE2 4.07Å; E257-F284 HydrophobicContact CB-CZ 3.86Å; E257-F284 HydrophobicContact CG-CE2 3.91Å; E257-F284 HydrophobicContact CG-CZ 3.92Å
258L82.4Confident80.1Confident12 Ų1253.7 Ų53.76%0.06329%0.286CS..Hα-helixtrans-62.3-46.1176.9179.661.2000111.7F254 Q255 I260 C261 L262 F275 F284F254-L258 HydrophobicContact CE1-CD2 4.09Å; F254-L258 HydrophobicContact CZ-CD2 4.4Å; F254-L258 VanDerWaalsContact O-CB 3.23Å; F254-L258 WeakPolarHBondContact O-CB 3.4Å; F254-L258 PolarHBondContact O-N 3.33Å; Q255-L258 PolarHBondContact O-N 3.21Å; L258-I260 PolarHBondContact O-N 3.3Å; L258-C261 PolarHBondContact O-N 3.31Å; L258-L262 HydrophobicContact CD1-CD1 3.91Å; L258-L262 HydrophobicContact CD1-CD2 4.41Å; L258-L262 HydrophobicContact CD1-CG 3.92Å; L258-L262 HydrophobicContact CG-CD1 3.89Å; L258-L262 HydrophobicContact CG-CG 4.32Å; L258-L262 WeakPolarHBondContact O-CB 3.37Å; L258-L262 WeakPolarHBondContact O-CG 3.28Å; L258-L262 PolarHBondContact O-N 3.03Å; L258-F275 HydrophobicContact CD1-CD1 3.54Å; L258-F275 HydrophobicContact CD1-CE1 3.85Å; L258-F275 HydrophobicContact CD1-CG 4.06Å; L258-F275 HydrophobicContact CD2-CD1 4.45Å; L258-F275 HydrophobicContact CD2-CD2 4.49Å; L258-F275 HydrophobicContact CD2-CE1 4.32Å; L258-F275 HydrophobicContact CD2-CE2 4.35Å; L258-F275 HydrophobicContact CD2-CZ 4.26Å; L258-F284 HydrophobicContact CB-CE1 3.99Å; L258-F284 HydrophobicContact CB-CZ 4.16Å; L258-F284 HydrophobicContact CD1-CE1 4.13Å
259Q80.4Confident81.5Confident107 Ų10752.1 Ų52.150%0.527%0.269SS..Hα-helixtrans-62.2-28.6176.1-74.2-68.9-40.200113Q255 R263Q255-Q259 VanDerWaalsContact O-CB 3.31Å; Q255-Q259 WeakPolarHBondContact O-CB 3.43Å; Q255-Q259 WeakPolarHBondContact O-CG 3.39Å; Q255-Q259 PolarHBondContact O-N 3.03Å; Q259-R263 VanDerWaalsContact O-CD 3.27Å; Q259-R263 WeakPolarHBondContact O-CD 3.46Å; Q259-R263 WeakPolarHBondContact O-CG 3.48Å
260I77.8Confident82.6Confident5 Ų550.7 Ų50.73%0.02626%0.259CS..Hα-helixtrans-76-49.8170.8-70.1171.6000110.4A256 E257 L258 L262 R263 C264 I331 A356 L358A256-I260 WeakPolarHBondContact O-CG1 3.02Å; A256-I260 PolarHBondContact O-N 3.11Å; E257-I260 PolarHBondContact O-N 2.97Å; L258-I260 PolarHBondContact O-N 3.3Å; I260-L262 VanDerWaalsContact C-N 3.34Å; I260-L262 PolarHBondContact O-N 3.29Å; I260-R263 WeakPolarHBondContact O-CB 3.32Å; I260-R263 PolarHBondContact O-N 3.1Å; I260-C264 PolarHBondContact O-N 2.84Å; I260-C264 PolarHBondContact O-SG 2.71Å; I260-I331 HydrophobicContact CG2-CD1 4.11Å; I260-I331 HydrophobicContact CG2-CG2 4.38Å; I260-A356 HydrophobicContact CD1-CB 3.8Å; I260-A356 VanDerWaalsContact CD1-O 3.26Å; I260-A356 WeakPolarHBondContact CD1-O 3.45Å; I260-A356 HydrophobicContact CG2-CB 3.84Å; I260-L358 HydrophobicContact CD1-CG 4.23Å; I260-L358 HydrophobicContact CG1-CD1 4.21Å; I260-L358 HydrophobicContact CG1-CD2 4.46Å; I260-L358 HydrophobicContact CG1-CG 3.94Å
261C81.7Confident83.4Confident11 Ų1151.9 Ų51.97%0.07427%0.268CS..Hα-helixtrans-60.3-40.7-176.9-66.40000112.8E257 L258 R263 C264 V272E257-C261 WeakPolarHBondContact O-CB 3.5Å; E257-C261 PolarHBondContact O-N 3.3Å; E257-C261 PolarHBondContact O-SG 2.99Å; L258-C261 PolarHBondContact O-N 3.31Å; C261-R263 PolarHBondContact O-N 3.23Å; C261-C264 PolarHBondContact O-N 2.77Å; C261-V272 HydrophobicContact CB-CB 4.19Å; C261-V272 HydrophobicContact CB-CG2 3.52Å; C261-V272 VanDerWaalsContact SG-CG2 3.59Å
262L78.6Confident84Confident97 Ų9749.7 Ų49.751%0.50826%0.259SS..THydrogen-bonded Turntrans-65.5-19.1176.1-69173.3000113.5L196 L258 I260L196-L262 HydrophobicContact CD1-CD2 3.71Å; L258-L262 HydrophobicContact CD1-CD1 3.91Å; L258-L262 HydrophobicContact CD1-CD2 4.41Å; L258-L262 HydrophobicContact CD1-CG 3.92Å; L258-L262 HydrophobicContact CG-CD1 3.89Å; L258-L262 HydrophobicContact CG-CG 4.32Å; L258-L262 WeakPolarHBondContact O-CB 3.37Å; L258-L262 WeakPolarHBondContact O-CG 3.28Å; L258-L262 PolarHBondContact O-N 3.03Å; I260-L262 VanDerWaalsContact C-N 3.34Å; I260-L262 PolarHBondContact O-N 3.29Å
263R79.8Confident84.8Confident112 Ų11245.9 Ų45.942%0.42325%0.25SC..THydrogen-bonded Turntrans-91.4-11.9173.5-70.5170.953157.1-5.1113.3Q259 I260 C261 Y325 L329Q259-R263 VanDerWaalsContact O-CD 3.27Å; Q259-R263 WeakPolarHBondContact O-CD 3.46Å; Q259-R263 WeakPolarHBondContact O-CG 3.48Å; I260-R263 WeakPolarHBondContact O-CB 3.32Å; I260-R263 PolarHBondContact O-N 3.1Å; C261-R263 PolarHBondContact O-N 3.23Å; R263-Y325 PolarHBondContact O-OH 2.91Å; R263-L329 PolarHBondContact NH2-O 3.11Å; R263-L329 VanDerWaalsContact O-CD1 3.3Å; R263-L329 WeakPolarHBondContact O-CD1 3.07Å
264C84.3Confident85.6Confident10 Ų1043.3 Ų43.37%0.06824%0.239CC..  trans-103.592.2-170.4-75.30000112.4I260 C261 V269 L326I260-C264 PolarHBondContact O-N 2.84Å; I260-C264 PolarHBondContact O-SG 2.71Å; C261-C264 PolarHBondContact O-N 2.77Å; C264-V269 HydrophobicContact CB-CG1 4.08Å; C264-L326 WeakPolarHBondContact SG-CD2 3.27Å
265C88.2Confident86.1Confident98 Ų9845.2 Ų45.266%0.66225%0.247SC*.  trans-121.794.1173.6-178.80000110.7Y325C265-Y325 PolarHBondContact N-OH 3.27Å; C265-Y325 PolarHBondContact O-OH 2.85Å; C265-Y325 VanDerWaalsContact O-OH 3.11Å
266H92.9Very high86.6Confident45 Ų4541.6 Ų41.621%0.20823%0.23CC..  trans-148.1140.9179.9179.2-97.5000111.3N268 V269 Y325H266-N268 PolarHBondContact CE1-OD1 3.22Å; H266-N268 PolarHBondContact ND1-N 3.08Å; H266-N268 PolarHBondContact O-N 2.97Å; H266-V269 HydrophobicContact CB-CB 4.11Å; H266-V269 HydrophobicContact CB-CG2 3.9Å; H266-V269 PolarHBondContact O-N 2.97Å; H266-Y325 HydrophobicContact CB-CD1 3.53Å; H266-Y325 HydrophobicContact CB-CD2 3.91Å; H266-Y325 HydrophobicContact CB-CE1 3.65Å; H266-Y325 HydrophobicContact CB-CE2 4.01Å; H266-Y325 HydrophobicContact CB-CG 3.66Å; H266-Y325 AromaticContact CD2-CD2 3.76Å; H266-Y325 AromaticContact CD2-CG 3.8Å; H266-Y325 AromaticContact CG-CG 3.72Å
267P93.3Very high87.3Confident92 Ų9241 Ų4160%0.59723%0.225SC*.THydrogen-bonded Turntrans-57.1-24.9-173.7-29.136.9000116.4K350P267-K350 WeakPolarHBondContact O-CD 3.44Å; P267-K350 PolarHBondContact O-NZ 2.81Å
268N96.4Very high87.3Confident24 Ų2441.3 Ų41.313%0.12823%0.229CC..THydrogen-bonded Turntrans-105.412.1178.3-54110.3000114.8H266 G318 A322 P349 K350 L351H266-N268 PolarHBondContact CE1-OD1 3.22Å; H266-N268 PolarHBondContact ND1-N 3.08Å; H266-N268 PolarHBondContact O-N 2.97Å; N268-G318 WeakPolarHBondContact CB-O 3.33Å; N268-A322 HydrophobicContact CB-CB 3.93Å; N268-A322 VanDerWaalsContact O-CB 3.29Å; N268-A322 WeakPolarHBondContact O-CB 3.38Å; N268-P349 WeakPolarHBondContact CA-O 3.39Å; N268-P349 WeakPolarHBondContact CB-O 3.4Å; N268-P349 PolarHBondContact ND2-O 3.49Å; N268-P349 VanDerWaalsContact ND2-O 3.15Å; N268-K350 CarbonylContact O-C 3.43Å; N268-K350 WeakPolarHBondContact O-CA 3.44Å; N268-L351 PolarHBondContact O-N 2.82Å
269V93.6Very high87Confident3 Ų352.9 Ų52.92%0.01827%0.272CS..BIsolated β-bridgetrans-110.8139.7174.2172.80000108C264 H266 P271 A322 Y325 H353C264-V269 HydrophobicContact CB-CG1 4.08Å; H266-V269 HydrophobicContact CB-CB 4.11Å; H266-V269 HydrophobicContact CB-CG2 3.9Å; H266-V269 PolarHBondContact O-N 2.97Å; V269-P271 VanDerWaalsContact O-CD 3.26Å; V269-P271 WeakPolarHBondContact O-CD 3.5Å; V269-A322 HydrophobicContact CG2-CB 3.84Å; V269-Y325 HydrophobicContact CG2-CD1 4.23Å; V269-H353 WeakPolarHBondContact CG1-CE1 3.33Å; V269-H353 VanDerWaalsContact CG1-NE2 3.29Å; V269-H353 WeakPolarHBondContact CG1-NE2 3.42Å
270L92.2Very high86.9Confident8 Ų855.7 Ų55.74%0.04229%0.285CS..  trans-70.8114.9-177.6-173.373.2000110.4Y286 M289 L342 K350 L351 A352L270-Y286 HydrophobicContact CD2-CD1 3.5Å; L270-Y286 VanDerWaalsContact CD2-CD1 3.5Å; L270-Y286 HydrophobicContact CD2-CE1 3.97Å; L270-Y286 HydrophobicContact CD2-CG 3.92Å; L270-Y286 HydrophobicContact CG-CD1 3.79Å; L270-Y286 HydrophobicContact CG-CE1 4.41Å; L270-Y286 HydrophobicContact CG-CG 4.48Å; L270-M289 HydrophobicContact CD1-CE 3.91Å; L270-M289 HydrophobicContact CD1-CG 4.18Å; L270-M289 HydrophobicContact CD1-SD 4.09Å; L270-L342 HydrophobicContact CD2-CD1 4.17Å; L270-K350 HydrophobicContact CB-CB 4.16Å; L270-K350 HydrophobicContact CD1-CB 3.98Å; L270-K350 HydrophobicContact CD1-CG 4.43Å; L270-L351 WeakPolarHBondContact CB-O 3.04Å; L270-L351 PolarHBondContact N-O 3.29Å; L270-A352 HydrophobicContact CB-CB 4.4Å; L270-A352 HydrophobicContact CD2-CB 3.75Å
271P89.6Confident87.3Confident54 Ų5456 Ų5635%0.35129%0.286SS..  trans-77142.1-178.632.4-34.5000111V269 Y286 P287V269-P271 VanDerWaalsContact O-CD 3.26Å; V269-P271 WeakPolarHBondContact O-CD 3.5Å; P271-Y286 WeakPolarHBondContact O-CD1 3.32Å; P271-P287 HydrophobicContact CG-CG 4Å; P271-P287 WeakPolarHBondContact O-CD 3.34Å
272V88.8Confident87.6Confident25 Ų2556.6 Ų56.615%0.15229%0.288CS..  trans-78.3126.9163.3169.40000108.2C261 G274 F284 Y286C261-V272 HydrophobicContact CB-CB 4.19Å; C261-V272 HydrophobicContact CB-CG2 3.52Å; C261-V272 VanDerWaalsContact SG-CG2 3.59Å; V272-G274 VanDerWaalsContact CG1-O 3.22Å; V272-G274 WeakPolarHBondContact CG1-O 3.33Å; V272-F284 HydrophobicContact CG1-CD1 4.39Å; V272-F284 HydrophobicContact CG2-CD1 4.27Å; V272-Y286 HydrophobicContact CG2-CD1 4.12Å; V272-Y286 HydrophobicContact CG2-CE1 3.44Å; V272-Y286 VanDerWaalsContact CG2-CE1 3.44Å
273L90.1Very high88.2Confident72 Ų7252 Ų5238%0.37726%0.263SS..  trans-98.6-8.7174.9-60.4-177.9000112.6F234 I285 P287F234-L273 HydrophobicContact CD1-CD1 4.26Å; F234-L273 HydrophobicContact CE1-CD1 3.88Å; L273-I285 PolarHBondContact N-O 3.48Å; L273-P287 HydrophobicContact CD1-CB 3.77Å; L273-P287 HydrophobicContact CD1-CG 3.81Å; L273-P287 HydrophobicContact CG-CG 4.2Å
274G91.3Very high88.8Confident0 Ų046.6 Ų46.60%024%0.243CC..EExtended strand (participates in β ladder)trans175173.4169.200000112.7L196 V272 I285L196-G274 CarbonylContact O-C 3.5Å; L196-G274 WeakPolarHBondContact O-CA 3.19Å; V272-G274 VanDerWaalsContact CG1-O 3.22Å; V272-G274 WeakPolarHBondContact CG1-O 3.33Å; G274-I285 PolarHBondContact N-O 2.93Å; G274-I285 WeakPolarHBondContact O-CD1 3.18Å; G274-I285 PolarHBondContact O-N 3.45Å
275F91.9Very high89.2Confident39 Ų3946.1 Ų46.117%0.17124%0.24CC..EExtended strand (participates in β ladder)trans-141.2153.3174.861.9-93.6000111L196 F197 W198 F254 L258 S283 F284L196-F275 HydrophobicContact CB-CD1 4.22Å; L196-F275 HydrophobicContact CB-CE1 3.87Å; L196-F275 PolarHBondContact O-N 2.86Å; F197-F275 HydrophobicContact CD2-CD2 4.4Å; F197-F275 HydrophobicContact CD2-CE2 4.03Å; W198-F275 PolarHBondContact N-O 3.31Å; F254-F275 HydrophobicContact CE1-CD2 4.46Å; F254-F275 HydrophobicContact CE2-CB 4.25Å; F254-F275 HydrophobicContact CZ-CB 3.96Å; F254-F275 AromaticContact CZ-CD2 3.79Å; F254-F275 HydrophobicContact CZ-CD2 3.79Å; F254-F275 HydrophobicContact CZ-CG 4.15Å; L258-F275 HydrophobicContact CD1-CD1 3.54Å; L258-F275 HydrophobicContact CD1-CE1 3.85Å; L258-F275 HydrophobicContact CD1-CG 4.06Å; L258-F275 HydrophobicContact CD2-CD1 4.45Å; L258-F275 HydrophobicContact CD2-CD2 4.49Å; L258-F275 HydrophobicContact CD2-CE1 4.32Å; L258-F275 HydrophobicContact CD2-CE2 4.35Å; L258-F275 HydrophobicContact CD2-CZ 4.26Å; F275-S283 CarbonylContact C-O 3.49Å; F275-S283 WeakPolarHBondContact CA-O 3.37Å; F275-F284 HydrophobicContact CB-CD1 4.11Å; F275-F284 HydrophobicContact CB-CE1 4.36Å
276C91.8Very high89.5Confident0 Ų041.9 Ų41.90%021%0.21CC..EExtended strand (participates in β ladder)trans-123121.2172.1-173.60000108.4W198 V203 F281 H282 S283W198-C276 HydrophobicContact CB-CB 4.48Å; W198-C276 WeakPolarHBondContact O-CB 2.99Å; W198-C276 PolarHBondContact O-SG 3.23Å; V203-C276 HydrophobicContact CG2-CB 3.74Å; C276-F281 HydrophobicContact CB-CE2 4.28Å; C276-H282 WeakPolarHBondContact O-CA 3.37Å; C276-S283 PolarHBondContact N-O 2.87Å; C276-S283 PolarHBondContact O-N 3.34Å
277A88.7Confident89.5Confident40 Ų4041.2 Ų41.233%0.33121%0.21SC..EExtended strand (participates in β ladder)trans-113.792.6173.500000107.7F254F254-A277 HydrophobicContact CE1-CB 3.83Å; F254-A277 HydrophobicContact CZ-CB 4.02Å
278A80.5Confident89.5Confident13 Ų1340.6 Ų40.611%0.10720%0.196CC..  trans-118.7162.6-172.600000111.1E200 Q280 F281 H282E200-A278 HydrophobicContact CB-CB 3.93Å; E200-A278 HydrophobicContact CG-CB 3.72Å; E200-A278 WeakPolarHBondContact OE2-CB 3.33Å; A278-Q280 VanDerWaalsContact C-N 3.27Å; A278-Q280 PolarHBondContact O-N 3.17Å; A278-F281 CarbonylContact C-O 3.54Å; A278-F281 WeakPolarHBondContact CA-O 3.3Å; A278-F281 WeakPolarHBondContact CB-O 3.36Å; A278-F281 PolarHBondContact N-O 3.08Å; A278-F281 VanDerWaalsContact N-O 3.08Å; A278-F281 VanDerWaalsContact O-O 3.12Å; A278-H282 PolarHBondContact O-CE1 3.39Å
279R74.9Confident89.4Confident256 Ų25640.3 Ų40.397%0.96619%0.194SC*.SBendtrans-66-30.6-179.1-74.4-173.7173.8-166.6-0.9112.9
280Q78.2Confident89.3Confident165 Ų16542.4 Ų42.477%0.77121%0.211SC*.SBendtrans-92.5-26.6-178.3-61-16980.800113.8E200 A278E200-Q280 WeakPolarHBondContact OE1-CB 3.45Å; E200-Q280 WeakPolarHBondContact OE1-CG 3.43Å; E200-Q280 PolarHBondContact OE1-NE2 2.96Å; A278-Q280 VanDerWaalsContact C-N 3.27Å; A278-Q280 PolarHBondContact O-N 3.17Å
281F86.6Confident89.4Confident13 Ų1344.3 Ų44.36%0.05722%0.222CC..  trans-159159.1-179.160.7-96.6000112.8E200 V203 V204 F210 K238 C276 A278E200-F281 HydrophobicContact CG-CE1 3.66Å; E200-F281 HydrophobicContact CG-CZ 3.75Å; V203-F281 HydrophobicContact CB-CE2 4.07Å; V203-F281 HydrophobicContact CB-CZ 4.06Å; V203-F281 HydrophobicContact CG1-CE2 3.79Å; V203-F281 HydrophobicContact CG1-CZ 4.01Å; V204-F281 HydrophobicContact CG2-CE1 3.98Å; V204-F281 HydrophobicContact CG2-CZ 4.17Å; F210-F281 AromaticContact CE2-CD1 3.98Å; F210-F281 HydrophobicContact CE2-CD1 3.98Å; F210-F281 AromaticContact CE2-CE1 3.7Å; F210-F281 HydrophobicContact CE2-CE1 3.7Å; F210-F281 HydrophobicContact CE2-CE2 4.29Å; F210-F281 HydrophobicContact CE2-CG 4.38Å; F210-F281 AromaticContact CE2-CZ 3.87Å; F210-F281 HydrophobicContact CE2-CZ 3.87Å; F210-F281 HydrophobicContact CZ-CD1 4.19Å; F210-F281 AromaticContact CZ-CD2 3.93Å; F210-F281 HydrophobicContact CZ-CD2 3.93Å; F210-F281 AromaticContact CZ-CE1 4Å; F210-F281 HydrophobicContact CZ-CE1 4Å; F210-F281 AromaticContact CZ-CE2 3.74Å; F210-F281 HydrophobicContact CZ-CE2 3.74Å; F210-F281 HydrophobicContact CZ-CG 4.16Å; F210-F281 AromaticContact CZ-CZ 3.76Å; F210-F281 HydrophobicContact CZ-CZ 3.76Å; K238-F281 HydrophobicContact CG-CB 4.17Å; C276-F281 HydrophobicContact CB-CE2 4.28Å; A278-F281 CarbonylContact C-O 3.54Å; A278-F281 WeakPolarHBondContact CA-O 3.3Å; A278-F281 WeakPolarHBondContact CB-O 3.36Å; A278-F281 PolarHBondContact N-O 3.08Å; A278-F281 VanDerWaalsContact N-O 3.08Å; A278-F281 VanDerWaalsContact O-O 3.12Å
282H88.9Confident89.5Confident22 Ų2243 Ų4310%0.10222%0.218CC..EExtended strand (participates in β ladder)trans-113.1135.5167.3-74.376.9000108.9L239 E251 F254 C276 A278L239-H282 HydrophobicContact CB-CB 4.24Å; L239-H282 HydrophobicContact CD1-CB 3.87Å; L239-H282 HydrophobicContact CG-CB 4.18Å; L239-H282 PolarHBondContact N-O 3.4Å; E251-H282 IonicContact OE2-CE1 2.65Å; E251-H282 IonicContact OE2-NE2 2.77Å; E251-H282 PolarHBondContact OE2-NE2 2.85Å; F254-H282 AromaticContact CD1-CD2 3.65Å; F254-H282 HydrophobicContact CD2-CB 3.8Å; F254-H282 AromaticContact CD2-CD2 3.86Å; F254-H282 AromaticContact CE1-CD2 3.94Å; F254-H282 HydrophobicContact CE2-CB 4.29Å; F254-H282 HydrophobicContact CG-CB 4.2Å; F254-H282 AromaticContact CG-CD2 3.61Å; C276-H282 WeakPolarHBondContact O-CA 3.37Å; A278-H282 PolarHBondContact O-CE1 3.39Å
283S91.3Very high89.8Confident0 Ų042.1 Ų42.10%021%0.213CC..EExtended strand (participates in β ladder)trans-143.4144.9-177.7-164.20000112.7K237 F275 C276K237-S283 WeakPolarHBondContact O-CA 3.45Å; K237-S283 PolarHBondContact O-OG 2.87Å; F275-S283 CarbonylContact C-O 3.49Å; F275-S283 WeakPolarHBondContact CA-O 3.37Å; C276-S283 PolarHBondContact N-O 2.87Å; C276-S283 PolarHBondContact O-N 3.34Å
284F91.5Very high90.1Very high0 Ų038.7 Ų38.70%020%0.195CC..EExtended strand (participates in β ladder)trans-111136.5168.5-67.2-83000110.2K237 L239 F254 E257 L258 V272 F275 Y286K237-F284 HydrophobicContact CB-CB 4.36Å; K237-F284 HydrophobicContact CD-CD2 4.42Å; K237-F284 PolarHBondContact N-O 3.06Å; K237-F284 PolarHBondContact O-N 2.91Å; L239-F284 HydrophobicContact CD1-CE2 4.38Å; F254-F284 HydrophobicContact CD2-CD2 4.32Å; F254-F284 HydrophobicContact CD2-CE1 4.21Å; F254-F284 AromaticContact CD2-CE2 3.48Å; F254-F284 HydrophobicContact CD2-CE2 3.48Å; F254-F284 VanDerWaalsContact CD2-CE2 3.48Å; F254-F284 AromaticContact CD2-CZ 3.41Å; F254-F284 HydrophobicContact CD2-CZ 3.41Å; F254-F284 VanDerWaalsContact CD2-CZ 3.41Å; F254-F284 HydrophobicContact CE2-CD1 4.38Å; F254-F284 HydrophobicContact CE2-CD2 4.34Å; F254-F284 AromaticContact CE2-CE1 3.83Å; F254-F284 HydrophobicContact CE2-CE1 3.83Å; F254-F284 AromaticContact CE2-CE2 3.8Å; F254-F284 HydrophobicContact CE2-CE2 3.8Å; F254-F284 AromaticContact CE2-CZ 3.51Å; F254-F284 HydrophobicContact CE2-CZ 3.51Å; F254-F284 HydrophobicContact CG-CZ 4.23Å; F254-F284 HydrophobicContact CZ-CE1 4.47Å; F254-F284 HydrophobicContact CZ-CZ 4.39Å; E257-F284 HydrophobicContact CB-CE2 4.07Å; E257-F284 HydrophobicContact CB-CZ 3.86Å; E257-F284 HydrophobicContact CG-CE2 3.91Å; E257-F284 HydrophobicContact CG-CZ 3.92Å; L258-F284 HydrophobicContact CB-CE1 3.99Å; L258-F284 HydrophobicContact CB-CZ 4.16Å; L258-F284 HydrophobicContact CD1-CE1 4.13Å; V272-F284 HydrophobicContact CG1-CD1 4.39Å; V272-F284 HydrophobicContact CG2-CD1 4.27Å; F275-F284 HydrophobicContact CB-CD1 4.11Å; F275-F284 HydrophobicContact CB-CE1 4.36Å; F284-Y286 HydrophobicContact CB-CD2 4.28Å; F284-Y286 HydrophobicContact CB-CE2 3.45Å; F284-Y286 VanDerWaalsContact CB-CE2 3.45Å
285I93.4Very high90.3Very high0 Ų041.1 Ų41.10%021%0.207CC..EExtended strand (participates in β ladder)trans-104.2125.6180-58.787.6000109W198 V203 F234 V235 F236 L273 G274W198-I285 HydrophobicContact CB-CD1 3.99Å; W198-I285 HydrophobicContact CD2-CD1 4.01Å; W198-I285 HydrophobicContact CD2-CG1 3.96Å; W198-I285 HydrophobicContact CE3-CD1 4.42Å; W198-I285 HydrophobicContact CE3-CG1 4.09Å; W198-I285 HydrophobicContact CG-CD1 3.82Å; W198-I285 HydrophobicContact CG-CG1 4.31Å; W198-I285 HydrophobicContact CH2-CG2 4.01Å; W198-I285 HydrophobicContact CZ2-CG2 3.89Å; W198-I285 HydrophobicContact CZ3-CG1 4.46Å; W198-I285 HydrophobicContact CZ3-CG2 4.45Å; V203-I285 HydrophobicContact CG2-CD1 4.31Å; F234-I285 HydrophobicContact CB-CG2 4.12Å; F234-I285 HydrophobicContact CD1-CG2 3.73Å; F234-I285 HydrophobicContact CE1-CG2 4.49Å; F234-I285 HydrophobicContact CG-CG2 4.15Å; V235-I285 WeakPolarHBondContact O-CA 3.36Å; F236-I285 HydrophobicContact CD1-CG1 3.62Å; F236-I285 HydrophobicContact CE1-CB 4.5Å; F236-I285 HydrophobicContact CE1-CG1 3.52Å; F236-I285 HydrophobicContact CE1-CG2 4.21Å; F236-I285 HydrophobicContact CZ-CG2 4.46Å; L273-I285 PolarHBondContact N-O 3.48Å; G274-I285 PolarHBondContact N-O 2.93Å; G274-I285 WeakPolarHBondContact O-CD1 3.18Å; G274-I285 PolarHBondContact O-N 3.45Å
286Y93.1Very high90.3Very high9 Ų941.5 Ų41.54%0.03521%0.21CC..EExtended strand (participates in β ladder)trans-124.9158.9-178.7-60.4-83000110.7V235 K237 L270 P271 V272 F284V235-Y286 PolarHBondContact N-O 3.21Å; V235-Y286 PolarHBondContact O-N 2.84Å; K237-Y286 HydrophobicContact CB-CD2 4.31Å; K237-Y286 HydrophobicContact CB-CE2 3.76Å; K237-Y286 HydrophobicContact CD-CE2 3.66Å; K237-Y286 HydrophobicContact CG-CE2 4.4Å; K237-Y286 PolarHBondContact NZ-OH 2.6Å; L270-Y286 HydrophobicContact CD2-CD1 3.5Å; L270-Y286 VanDerWaalsContact CD2-CD1 3.5Å; L270-Y286 HydrophobicContact CD2-CE1 3.97Å; L270-Y286 HydrophobicContact CD2-CG 3.92Å; L270-Y286 HydrophobicContact CG-CD1 3.79Å; L270-Y286 HydrophobicContact CG-CE1 4.41Å; L270-Y286 HydrophobicContact CG-CG 4.48Å; P271-Y286 WeakPolarHBondContact O-CD1 3.32Å; V272-Y286 HydrophobicContact CG2-CD1 4.12Å; V272-Y286 HydrophobicContact CG2-CE1 3.44Å; V272-Y286 VanDerWaalsContact CG2-CE1 3.44Å; F284-Y286 HydrophobicContact CB-CD2 4.28Å; F284-Y286 HydrophobicContact CB-CE2 3.45Å; F284-Y286 VanDerWaalsContact CB-CE2 3.45Å
287P93.5Very high90.4Very high30 Ų3042.9 Ų42.920%0.19522%0.216CC..EExtended strand (participates in β ladder)trans-68.1145.4171.912.8-5.6000110.9P271 L273 M289P271-P287 HydrophobicContact CG-CG 4Å; P271-P287 WeakPolarHBondContact O-CD 3.34Å; L273-P287 HydrophobicContact CD1-CB 3.77Å; L273-P287 HydrophobicContact CD1-CG 3.81Å; L273-P287 HydrophobicContact CG-CG 4.2Å; P287-M289 HydrophobicContact CB-CE 3.81Å; P287-M289 HydrophobicContact CG-CE 3.8Å; P287-M289 PolarHBondContact O-N 2.79Å
288Y93.1Very high90.7Very high80 Ų8042 Ų4231%0.31421%0.205SC..  trans-70.9124.9174.3179-108.9000111.7R226 P233 V235 A290R226-Y288 HydrophobicContact CG-CD2 4.32Å; R226-Y288 HydrophobicContact CG-CE2 4.34Å; P233-Y288 HydrophobicContact CB-CD1 4.14Å; P233-Y288 HydrophobicContact CB-CG 4.1Å; P233-Y288 HydrophobicContact CG-CD1 4.17Å; P233-Y288 HydrophobicContact CG-CG 4.46Å; P233-Y288 WeakPolarHBondContact O-CB 3.45Å; V235-Y288 HydrophobicContact CG2-CD2 3.84Å; Y288-A290 HydrophobicContact CE1-CB 4.36Å; Y288-A290 PolarHBondContact O-N 2.91Å
289M94.4Very high91.1Very high18 Ų1846 Ų469%0.08922%0.221CC..  trans-92.896.2-178.1-65.7-70.9116.800109.3L270 P287 N291 G292 L342 L343 D344 K350L270-M289 HydrophobicContact CD1-CE 3.91Å; L270-M289 HydrophobicContact CD1-CG 4.18Å; L270-M289 HydrophobicContact CD1-SD 4.09Å; P287-M289 HydrophobicContact CB-CE 3.81Å; P287-M289 HydrophobicContact CG-CE 3.8Å; P287-M289 PolarHBondContact O-N 2.79Å; M289-N291 VanDerWaalsContact C-N 3.26Å; M289-N291 PolarHBondContact O-N 3.46Å; M289-G292 PolarHBondContact O-N 3.13Å; M289-G292 VanDerWaalsContact O-N 3.11Å; M289-L342 HydrophobicContact CB-CB 3.95Å; M289-L342 HydrophobicContact CB-CD1 4.44Å; M289-L342 HydrophobicContact CG-CB 3.61Å; M289-L342 HydrophobicContact CG-CD1 3.87Å; M289-L342 HydrophobicContact CG-CG 4.39Å; M289-L342 HydrophobicContact SD-CB 4.18Å; M289-L343 CarbonylContact C-O 3.41Å; M289-D344 HydrophobicContact CE-CB 4.28Å; M289-D344 HydrophobicContact SD-CB 3.99Å; M289-K350 HydrophobicContact CE-CG 4.27Å; M289-K350 HydrophobicContact SD-CB 4.24Å; M289-K350 HydrophobicContact SD-CG 3.65Å
290A92.1Very high91.6Very high46 Ų4635.3 Ų35.338%0.3819%0.191SC..THydrogen-bonded Turntrans-63.6-26.6-167.400000114.5Y288 Q345Y288-A290 HydrophobicContact CE1-CB 4.36Å; Y288-A290 PolarHBondContact O-N 2.91Å; A290-Q345 HydrophobicContact CB-CG 3.78Å
291N93.5Very high91.6Very high49 Ų4933.2 Ų33.226%0.26218%0.181SC..THydrogen-bonded Turntrans-96.814.2178.8-78.8-71.9000113.3M289 R297 L343 D344 Q345 L347M289-N291 VanDerWaalsContact C-N 3.26Å; M289-N291 PolarHBondContact O-N 3.46Å; N291-R297 VanDerWaalsContact O-CG 3.26Å; N291-R297 WeakPolarHBondContact O-CG 3.22Å; N291-L343 HydrophobicContact CB-CB 3.61Å; N291-L343 PolarHBondContact N-O 3.38Å; N291-L343 VanDerWaalsContact N-O 3.12Å; N291-D344 PolarHBondContact ND2-O 3.09Å; N291-Q345 PolarHBondContact ND2-O 2.66Å; N291-L347 HydrophobicContact CB-CD2 3.58Å
292G92.3Very high90.8Very high27 Ų2736.8 Ų36.828%0.27822%0.222SC..  trans68.7-143.2177.400000113M289 L342 L343M289-G292 PolarHBondContact O-N 3.13Å; M289-G292 VanDerWaalsContact O-N 3.11Å; G292-L342 WeakPolarHBondContact O-CA 3.04Å; G292-L343 PolarHBondContact O-N 3.34Å
293S94.4Very high90.3Very high5 Ų539.1 Ų39.14%0.03525%0.252CS..BIsolated β-bridgetrans-101.8160.7171.582.30000112.6Q295 D296 R297 V341S293-Q295 PolarHBondContact O-N 3.43Å; S293-Q295 PolarHBondContact OG-N 2.7Å; S293-D296 WeakPolarHBondContact CA-OD2 3.46Å; S293-D296 WeakPolarHBondContact CB-OD2 3.36Å; S293-D296 PolarHBondContact N-OD2 3.32Å; S293-D296 PolarHBondContact O-N 3.02Å; S293-D296 PolarHBondContact OG-N 3.48Å; S293-D296 PolarHBondContact OG-OD1 2.83Å; S293-D296 PolarHBondContact OG-OD2 3.11Å; S293-R297 PolarHBondContact O-N 2.83Å; S293-R297 VanDerWaalsContact O-N 3.16Å; S293-V341 CarbonylContact C-O 3.58Å; S293-V341 WeakPolarHBondContact CA-O 3.23Å
294L96.8Very high90Very high1 Ų140.9 Ų40.91%0.00526%0.264CS..Hα-helixtrans-59.1-32.8173.3178.658.8000112R297 L298 L307 I315 S338 V341 V404 V408L294-R297 PolarHBondContact O-N 3.35Å; L294-L298 HydrophobicContact CD1-CD1 4.03Å; L294-L298 HydrophobicContact CD1-CD2 4.48Å; L294-L298 HydrophobicContact CD1-CG 3.94Å; L294-L298 HydrophobicContact CG-CD1 3.91Å; L294-L298 HydrophobicContact CG-CG 4.28Å; L294-L298 WeakPolarHBondContact O-CB 3.32Å; L294-L298 VanDerWaalsContact O-CG 3.25Å; L294-L298 WeakPolarHBondContact O-CG 3.34Å; L294-L298 PolarHBondContact O-N 3.17Å; L294-L307 HydrophobicContact CD1-CD1 3.81Å; L294-I315 HydrophobicContact CD1-CD1 4.27Å; L294-I315 HydrophobicContact CD1-CG2 3.89Å; L294-I315 HydrophobicContact CD2-CG2 3.67Å; L294-I315 HydrophobicContact CG-CG2 4.35Å; L294-S338 PolarHBondContact N-O 3.46Å; L294-V341 HydrophobicContact CB-CB 3.97Å; L294-V341 HydrophobicContact CB-CG1 4.18Å; L294-V341 WeakPolarHBondContact CB-O 3.5Å; L294-V341 HydrophobicContact CD2-CB 4.15Å; L294-V341 HydrophobicContact CD2-CG1 4.11Å; L294-V341 PolarHBondContact N-O 3Å; L294-V404 HydrophobicContact CD2-CG1 3.67Å; L294-V408 HydrophobicContact CD1-CG2 4.21Å; L294-V408 HydrophobicContact CD2-CG2 3.8Å; L294-V408 HydrophobicContact CG-CG2 4.35Å
295Q94.5Very high89.7Confident51 Ų5147.1 Ų47.124%0.23830%0.298CS..Hα-helixtrans-61.3-49.4175.7-172.3178.8-29.700110.5S293 R297 L298 Q299 S338 S339S293-Q295 PolarHBondContact O-N 3.43Å; S293-Q295 PolarHBondContact OG-N 2.7Å; Q295-R297 VanDerWaalsContact C-N 3.31Å; Q295-R297 PolarHBondContact O-N 3.3Å; Q295-L298 PolarHBondContact O-N 3.31Å; Q295-Q299 WeakPolarHBondContact O-CB 3.49Å; Q295-Q299 WeakPolarHBondContact O-CG 3.44Å; Q295-Q299 PolarHBondContact O-N 2.94Å; Q295-S338 PolarHBondContact N-O 3.04Å; Q295-S339 PolarHBondContact OE1-OG 3Å
296D92.6Very high89.5Confident47 Ų4750.4 Ų50.425%0.25132%0.319SS..Hα-helixtrans-61.5-40.6-177.7-40.3-30.4000110.9S293 Q299 G300 Q301S293-D296 WeakPolarHBondContact CA-OD2 3.46Å; S293-D296 WeakPolarHBondContact CB-OD2 3.36Å; S293-D296 PolarHBondContact N-OD2 3.32Å; S293-D296 PolarHBondContact O-N 3.02Å; S293-D296 PolarHBondContact OG-N 3.48Å; S293-D296 PolarHBondContact OG-OD1 2.83Å; S293-D296 PolarHBondContact OG-OD2 3.11Å; D296-Q299 PolarHBondContact O-N 2.91Å; D296-G300 PolarHBondContact O-N 3.47Å; D296-Q301 HydrophobicContact CB-CB 4.14Å; D296-Q301 WeakPolarHBondContact O-CB 3.47Å; D296-Q301 PolarHBondContact O-N 2.84Å; D296-Q301 PolarHBondContact OD1-OE1 3.02Å
297R94.8Very high89.6Confident29 Ų2950 Ų5011%0.10932%0.318CS..Hα-helixtrans-76.5-28.3179.1-64.8-64.1-71.497.74.2114.2N291 S293 L294 Q295 S304 D305 L307 L343N291-R297 VanDerWaalsContact O-CG 3.26Å; N291-R297 WeakPolarHBondContact O-CG 3.22Å; S293-R297 PolarHBondContact O-N 2.83Å; S293-R297 VanDerWaalsContact O-N 3.16Å; L294-R297 PolarHBondContact O-N 3.35Å; Q295-R297 VanDerWaalsContact C-N 3.31Å; Q295-R297 PolarHBondContact O-N 3.3Å; R297-S304 VanDerWaalsContact NH1-CB 3.28Å; R297-S304 PolarHBondContact NH1-O 3.07Å; R297-S304 PolarHBondContact NH1-OG 3.34Å; R297-D305 VanDerWaalsContact CZ-O 3.25Å; R297-D305 PolarHBondContact NH1-O 3.33Å; R297-D305 PolarHBondContact NH2-O 3.48Å; R297-L307 HydrophobicContact CB-CD1 3.85Å; R297-L307 HydrophobicContact CB-CD2 4.42Å; R297-L307 HydrophobicContact CB-CG 4.12Å; R297-L343 HydrophobicContact CB-CD1 4.2Å; R297-L343 HydrophobicContact CG-CD1 3.81Å
298L94.3Very high89.6Confident20 Ų2051.7 Ų51.711%0.10533%0.329CS..Hα-helixtrans-74-33.5169.7-71.6172.8000111.6L294 Q295 G300 E407 V408L294-L298 HydrophobicContact CD1-CD1 4.03Å; L294-L298 HydrophobicContact CD1-CD2 4.48Å; L294-L298 HydrophobicContact CD1-CG 3.94Å; L294-L298 HydrophobicContact CG-CD1 3.91Å; L294-L298 HydrophobicContact CG-CG 4.28Å; L294-L298 WeakPolarHBondContact O-CB 3.32Å; L294-L298 VanDerWaalsContact O-CG 3.25Å; L294-L298 WeakPolarHBondContact O-CG 3.34Å; L294-L298 PolarHBondContact O-N 3.17Å; Q295-L298 PolarHBondContact O-N 3.31Å; L298-G300 VanDerWaalsContact C-N 3.29Å; L298-G300 PolarHBondContact O-N 2.76Å; L298-E407 HydrophobicContact CD1-CB 4Å; L298-V408 HydrophobicContact CD1-CG2 4.03Å
299Q89.6Confident89.7Confident97 Ų9748.1 Ų48.145%0.45332%0.315SS..THydrogen-bonded Turntrans-84.75178.7-66.8-177.2-23.900113.9Q295 D296 Q301Q295-Q299 WeakPolarHBondContact O-CB 3.49Å; Q295-Q299 WeakPolarHBondContact O-CG 3.44Å; Q295-Q299 PolarHBondContact O-N 2.94Å; D296-Q299 PolarHBondContact O-N 2.91Å; Q299-Q301 PolarHBondContact O-N 3.12Å
300G83.9Confident89.7Confident33 Ų3349.2 Ų49.234%0.3432%0.323SS..THydrogen-bonded Turntrans6421.617900000114.2D296 L298 G303D296-G300 PolarHBondContact O-N 3.47Å; L298-G300 VanDerWaalsContact C-N 3.29Å; L298-G300 PolarHBondContact O-N 2.76Å; G300-G303 PolarHBondContact O-N 3.48Å; G300-G303 VanDerWaalsContact O-N 3.1Å
301Q78Confident89.8Confident120 Ų12049.2 Ų49.256%0.56132%0.315SS*.G310 helixtrans-61142.2-173.2-165.6175.35.800110.9D296 Q299 G303 S304D296-Q301 HydrophobicContact CB-CB 4.14Å; D296-Q301 WeakPolarHBondContact O-CB 3.47Å; D296-Q301 PolarHBondContact O-N 2.84Å; D296-Q301 PolarHBondContact OD1-OE1 3.02Å; Q299-Q301 PolarHBondContact O-N 3.12Å; Q301-G303 PolarHBondContact O-N 3.35Å; Q301-S304 PolarHBondContact O-OG 3.23Å
302G71.4Confident90Very high88 Ų8847 Ų4791%0.90730%0.303SS*.G310 helixtrans72.67.8-174.800000114.9S304G302-S304 VanDerWaalsContact C-N 3.34Å
303G78.3Confident90.2Very high72 Ų7245.7 Ų45.774%0.74229%0.29SS*.G310 helixtrans74.625.7-175.500000113.1G300 Q301G300-G303 PolarHBondContact O-N 3.48Å; G300-G303 VanDerWaalsContact O-N 3.1Å; Q301-G303 PolarHBondContact O-N 3.35Å
304S83.8Confident90.3Very high36 Ų3647.3 Ų47.325%0.25230%0.301SS..PPolyproline II helixtrans-80.7135.2-176.356.30000112.2R297 Q301 G302R297-S304 VanDerWaalsContact NH1-CB 3.28Å; R297-S304 PolarHBondContact NH1-O 3.07Å; R297-S304 PolarHBondContact NH1-OG 3.34Å; Q301-S304 PolarHBondContact O-OG 3.23Å; G302-S304 VanDerWaalsContact C-N 3.34Å
305D86.4Confident90.4Very high131 Ų13147.3 Ų47.370%0.70130%0.301SS*.PPolyproline II helixtrans-54.6145.5-175-68.2-57.5000113.2R297 L307R297-D305 VanDerWaalsContact CZ-O 3.25Å; R297-D305 PolarHBondContact NH1-O 3.33Å; R297-D305 PolarHBondContact NH2-O 3.48Å; D305-L307 PolarHBondContact O-N 3.05Å
306P89.3Confident90.6Very high70 Ų7044.9 Ų44.946%0.45529%0.29SS..PPolyproline II helixtrans-55.6133.6177.1-24.734.1000112.3P308 G462P306-P308 WeakPolarHBondContact O-CD 3.48Å; P306-G462 WeakPolarHBondContact CB-O 3.47Å
307L94.2Very high90.8Very high0 Ų043.3 Ų43.30%028%0.282CS..PPolyproline II helixtrans-60124.5173.6-66.9173.3000109.9L294 R297 D305 Q311 R312 I315 L347 A463L294-L307 HydrophobicContact CD1-CD1 3.81Å; R297-L307 HydrophobicContact CB-CD1 3.85Å; R297-L307 HydrophobicContact CB-CD2 4.42Å; R297-L307 HydrophobicContact CB-CG 4.12Å; D305-L307 PolarHBondContact O-N 3.05Å; L307-Q311 HydrophobicContact CD2-CG 4.38Å; L307-R312 HydrophobicContact CB-CG 3.84Å; L307-R312 PolarHBondContact O-NE 3.35Å; L307-I315 HydrophobicContact CD1-CD1 3.95Å; L307-L347 HydrophobicContact CD2-CD1 4.25Å; L307-L347 HydrophobicContact CD2-CD2 4.06Å; L307-A463 WeakPolarHBondContact O-CB 3.35Å
308P93.8Very high90.9Very high65 Ų6542.1 Ų42.142%0.42228%0.28SS..PPolyproline II helixtrans-74.9159.2178.832.2-36.4000111.2P306 Q311 R312P306-P308 WeakPolarHBondContact O-CD 3.48Å; P308-Q311 HydrophobicContact CG-CB 4.11Å; P308-Q311 PolarHBondContact O-N 3.2Å; P308-Q311 VanDerWaalsContact O-N 3.08Å; P308-R312 PolarHBondContact O-N 3.14Å
309W94.8Very high91.1Very high5 Ų541.3 Ų41.32%0.01928%0.275CS..Hα-helixtrans-53.6-43.6-174.4-75.6115000116.8Q311 R312 V313 L409 L459 E460 A463 G464 L466 L474 L503W309-Q311 VanDerWaalsContact C-N 3.31Å; W309-Q311 PolarHBondContact O-N 3.36Å; W309-R312 HydrophobicContact CE3-CB 4.07Å; W309-R312 HydrophobicContact CZ3-CB 4.44Å; W309-R312 PolarHBondContact O-N 3.13Å; W309-V313 WeakPolarHBondContact O-CG2 3.48Å; W309-V313 PolarHBondContact O-N 2.9Å; W309-L409 HydrophobicContact CH2-CD1 4.41Å; W309-L409 WeakPolarHBondContact CH2-O 3.24Å; W309-L459 HydrophobicContact CH2-CD1 3.64Å; W309-L459 HydrophobicContact CZ2-CD1 3.66Å; W309-L459 HydrophobicContact CZ2-CG 4.29Å; W309-E460 HydrophobicContact CH2-CB 4.06Å; W309-E460 HydrophobicContact CZ2-CB 3.87Å; W309-E460 HydrophobicContact CZ2-CG 4.45Å; W309-A463 HydrophobicContact CD2-CB 4.15Å; W309-A463 HydrophobicContact CG-CB 4.35Å; W309-A463 HydrophobicContact CZ2-CB 4.07Å; W309-G464 PolarHBondContact NE1-O 3.36Å; W309-L466 HydrophobicContact CB-CD1 3.99Å; W309-L466 HydrophobicContact CD2-CB 3.89Å; W309-L466 HydrophobicContact CD2-CD1 3.96Å; W309-L466 HydrophobicContact CD2-CD2 3.96Å; W309-L466 HydrophobicContact CD2-CG 4.16Å; W309-L466 HydrophobicContact CE3-CD1 4.14Å; W309-L466 HydrophobicContact CE3-CD2 3.81Å; W309-L466 HydrophobicContact CE3-CG 4.43Å; W309-L466 HydrophobicContact CG-CB 3.95Å; W309-L466 HydrophobicContact CG-CD1 3.88Å; W309-L466 HydrophobicContact CG-CG 4.38Å; W309-L466 HydrophobicContact CH2-CD2 4.1Å; W309-L466 HydrophobicContact CZ2-CB 4.32Å; W309-L466 HydrophobicContact CZ2-CD2 4.22Å; W309-L466 HydrophobicContact CZ3-CD2 3.9Å; W309-L474 HydrophobicContact CZ3-CD2 4.38Å; W309-L503 HydrophobicContact CB-CD1 4.42Å
310P94.1Very high91.5Very high42 Ų4236.7 Ų36.727%0.27325%0.253SS..Hα-helixtrans-57.2-44175.1-24.534.3000112.2V313 S314 E507P310-V313 PolarHBondContact O-N 3.31Å; P310-S314 WeakPolarHBondContact O-CB 3.39Å; P310-S314 PolarHBondContact O-N 3.23Å; P310-E507 WeakPolarHBondContact CG-OE1 3.42Å
311Q95.6Very high92.1Very high45 Ų4535.7 Ų35.721%0.2124%0.241CC..Hα-helixtrans-68.3-41.7177.7-162.365.539.700111.8L307 P308 W309 V313 S314 I315 L347L307-Q311 HydrophobicContact CD2-CG 4.38Å; P308-Q311 HydrophobicContact CG-CB 4.11Å; P308-Q311 PolarHBondContact O-N 3.2Å; P308-Q311 VanDerWaalsContact O-N 3.08Å; W309-Q311 VanDerWaalsContact C-N 3.31Å; W309-Q311 PolarHBondContact O-N 3.36Å; Q311-V313 VanDerWaalsContact C-N 3.32Å; Q311-V313 PolarHBondContact O-N 3.16Å; Q311-S314 PolarHBondContact O-N 2.99Å; Q311-I315 HydrophobicContact CG-CD1 3.96Å; Q311-I315 WeakPolarHBondContact O-CB 3.36Å; Q311-I315 VanDerWaalsContact O-CG1 3.25Å; Q311-I315 WeakPolarHBondContact O-CG1 3.32Å; Q311-I315 PolarHBondContact O-N 3.01Å; Q311-L347 HydrophobicContact CG-CB 3.93Å; Q311-L347 HydrophobicContact CG-CD1 4.07Å; Q311-L347 PolarHBondContact NE2-O 2.78Å
312R97Very high92.9Very high3 Ų330 Ų301%0.01121%0.214CC..Hα-helixtrans-56.5-45.1174.9-76.5-171.2-175.9-133.83.3111.7L307 P308 W309 I315 C316 V408 E460L307-R312 HydrophobicContact CB-CG 3.84Å; L307-R312 PolarHBondContact O-NE 3.35Å; P308-R312 PolarHBondContact O-N 3.14Å; W309-R312 HydrophobicContact CE3-CB 4.07Å; W309-R312 HydrophobicContact CZ3-CB 4.44Å; W309-R312 PolarHBondContact O-N 3.13Å; R312-I315 PolarHBondContact O-N 2.85Å; R312-C316 PolarHBondContact O-N 3.28Å; R312-C316 VanDerWaalsContact O-N 3.11Å; R312-V408 HydrophobicContact CB-CG1 3.54Å; R312-V408 WeakPolarHBondContact CD-O 3.32Å; R312-V408 HydrophobicContact CG-CG1 3.92Å; R312-V408 PolarHBondContact NH1-O 2.96Å; R312-E460 IonicContact NH1-OE2 3.38Å; R312-E460 IonicContact NH2-OE2 2.7Å; R312-E460 PolarHBondContact NH2-OE2 2.93Å
313V96.6Very high94.1Very high0 Ų025.8 Ų25.80%017%0.171CC..Hα-helixtrans-71.8-40.8179.2178.40000111.6W309 P310 Q311 I315 C316 S317 L474 V496 V499 E500 L503W309-V313 WeakPolarHBondContact O-CG2 3.48Å; W309-V313 PolarHBondContact O-N 2.9Å; P310-V313 PolarHBondContact O-N 3.31Å; Q311-V313 VanDerWaalsContact C-N 3.32Å; Q311-V313 PolarHBondContact O-N 3.16Å; V313-I315 VanDerWaalsContact C-N 3.3Å; V313-I315 PolarHBondContact O-N 3.06Å; V313-C316 PolarHBondContact O-N 3.28Å; V313-S317 WeakPolarHBondContact O-CB 3.48Å; V313-S317 PolarHBondContact O-N 3.07Å; V313-L474 HydrophobicContact CG2-CD2 4.33Å; V313-V496 HydrophobicContact CG1-CG1 4.02Å; V313-V499 HydrophobicContact CG1-CB 4.22Å; V313-V499 HydrophobicContact CG1-CG1 4.04Å; V313-V499 HydrophobicContact CG2-CG1 3.94Å; V313-E500 HydrophobicContact CG1-CB 3.73Å; V313-E500 HydrophobicContact CG1-CG 4Å; V313-L503 HydrophobicContact CB-CD1 4.19Å; V313-L503 HydrophobicContact CG2-CD1 3.75Å
314S97Very high94.8Very high38 Ų3824.1 Ų24.127%0.26614%0.144SC..Hα-helixtrans-59.1-40173.1-174.20000112.2P310 Q311 S317 G318P310-S314 WeakPolarHBondContact O-CB 3.39Å; P310-S314 PolarHBondContact O-N 3.23Å; Q311-S314 PolarHBondContact O-N 2.99Å; S314-S317 WeakPolarHBondContact O-CB 3.46Å; S314-S317 PolarHBondContact O-N 3.15Å; S314-G318 PolarHBondContact O-N 3.32Å
315I98.3Very high95.3Very high1 Ų125.4 Ų25.41%0.00514%0.144CC..Hα-helixtrans-63.1-46.1175.1-74.2165.7000111.5L294 L307 Q311 R312 V313 L319 V341 L343 P349L294-I315 HydrophobicContact CD1-CD1 4.27Å; L294-I315 HydrophobicContact CD1-CG2 3.89Å; L294-I315 HydrophobicContact CD2-CG2 3.67Å; L294-I315 HydrophobicContact CG-CG2 4.35Å; L307-I315 HydrophobicContact CD1-CD1 3.95Å; Q311-I315 HydrophobicContact CG-CD1 3.96Å; Q311-I315 WeakPolarHBondContact O-CB 3.36Å; Q311-I315 VanDerWaalsContact O-CG1 3.25Å; Q311-I315 WeakPolarHBondContact O-CG1 3.32Å; Q311-I315 PolarHBondContact O-N 3.01Å; R312-I315 PolarHBondContact O-N 2.85Å; V313-I315 VanDerWaalsContact C-N 3.3Å; V313-I315 PolarHBondContact O-N 3.06Å; I315-L319 WeakPolarHBondContact O-CB 3.14Å; I315-L319 PolarHBondContact O-N 3.43Å; I315-V341 HydrophobicContact CG2-CG1 4.39Å; I315-L343 HydrophobicContact CD1-CD1 4.35Å; I315-L343 HydrophobicContact CD1-CD2 3.67Å; I315-L343 HydrophobicContact CG1-CD2 3.86Å; I315-P349 HydrophobicContact CG2-CB 4.35Å
316C98.1Very high95.6Very high1 Ų119.2 Ų19.21%0.00711%0.111CC..Hα-helixtrans-60.8-43.7173.7-74.20000112.2R312 V313 L319 L320 L405 V496R312-C316 PolarHBondContact O-N 3.28Å; R312-C316 VanDerWaalsContact O-N 3.11Å; V313-C316 PolarHBondContact O-N 3.28Å; C316-L319 PolarHBondContact O-N 2.57Å; C316-L320 VanDerWaalsContact O-CG 3.27Å; C316-L320 WeakPolarHBondContact O-CG 3.14Å; C316-L320 PolarHBondContact O-N 2.98Å; C316-L405 HydrophobicContact CB-CD1 3.98Å; C316-L405 HydrophobicContact CB-CG 4.24Å; C316-V496 HydrophobicContact CB-CG1 4.01Å
317S97.5Very high95.7Very high13 Ų1316.8 Ų16.89%0.0919%0.094CC..Hα-helixtrans-59.7-49.5178.7-166.70000111.5V313 S314 L319 L320 C321 E500V313-S317 WeakPolarHBondContact O-CB 3.48Å; V313-S317 PolarHBondContact O-N 3.07Å; S314-S317 WeakPolarHBondContact O-CB 3.46Å; S314-S317 PolarHBondContact O-N 3.15Å; S317-L319 PolarHBondContact O-N 3.39Å; S317-L320 PolarHBondContact O-N 2.92Å; S317-C321 PolarHBondContact O-N 3.2Å; S317-C321 PolarHBondContact O-SG 2.87Å; S317-E500 WeakPolarHBondContact CB-OE2 3.48Å; S317-E500 PolarHBondContact OG-OE2 3.07Å
318G97.5Very high95.5Very high5 Ų519.9 Ų19.95%0.05213%0.125CC..Hα-helixtrans-64.8-36.9177.100000113.9N268 S314 C321 A322N268-G318 WeakPolarHBondContact CB-O 3.33Å; S314-G318 PolarHBondContact O-N 3.32Å; G318-C321 PolarHBondContact O-N 3.23Å; G318-A322 WeakPolarHBondContact O-CB 3.43Å; G318-A322 PolarHBondContact O-N 3.06Å
319L98.1Very high95.1Very high2 Ų219.1 Ų19.11%0.0112%0.117CC..Hα-helixtrans-60.3-47.4172.3171.260.6000111.7I315 C316 S317 C321 A322 V323 V336 V341 L351 V404I315-L319 WeakPolarHBondContact O-CB 3.14Å; I315-L319 PolarHBondContact O-N 3.43Å; C316-L319 PolarHBondContact O-N 2.57Å; S317-L319 PolarHBondContact O-N 3.39Å; L319-C321 VanDerWaalsContact C-N 3.33Å; L319-C321 PolarHBondContact O-N 2.86Å; L319-A322 WeakPolarHBondContact O-CB 3.36Å; L319-A322 PolarHBondContact O-N 3.37Å; L319-V323 HydrophobicContact CD1-CG2 4.18Å; L319-V323 PolarHBondContact O-N 3.4Å; L319-V336 HydrophobicContact CD1-CG1 4.1Å; L319-V341 HydrophobicContact CD1-CG2 3.9Å; L319-V341 HydrophobicContact CD2-CG2 4.28Å; L319-L351 HydrophobicContact CD1-CD1 4.24Å; L319-L351 HydrophobicContact CD1-CD2 4.44Å; L319-V404 HydrophobicContact CD2-CB 3.88Å; L319-V404 HydrophobicContact CD2-CG1 3.65Å; L319-V404 HydrophobicContact CD2-CG2 4.48Å
320L97.4Very high94.7Very high0 Ų022.1 Ų22.10%013%0.131CC..Hα-helixtrans-63.8-39.8179-65169000111.1C316 S317 V323 E324 C401 L405 L489 V492 R493 V496C316-L320 VanDerWaalsContact O-CG 3.27Å; C316-L320 WeakPolarHBondContact O-CG 3.14Å; C316-L320 PolarHBondContact O-N 2.98Å; S317-L320 PolarHBondContact O-N 2.92Å; L320-V323 PolarHBondContact O-N 3.27Å; L320-E324 WeakPolarHBondContact O-CB 3.43Å; L320-E324 PolarHBondContact O-N 3.4Å; L320-C401 HydrophobicContact CD2-CB 4.13Å; L320-L405 HydrophobicContact CD1-CD2 4.46Å; L320-L405 HydrophobicContact CD2-CD1 4.42Å; L320-L405 HydrophobicContact CG-CD1 4.46Å; L320-L489 HydrophobicContact CD2-CD1 3.58Å; L320-V492 HydrophobicContact CD1-CG1 3.98Å; L320-V492 HydrophobicContact CD2-CG1 4Å; L320-R493 HydrophobicContact CB-CB 4.36Å; L320-V496 HydrophobicContact CD1-CB 3.97Å; L320-V496 HydrophobicContact CD1-CG1 4.36Å; L320-V496 HydrophobicContact CD1-CG2 3.71Å
321C96.3Very high94.2Very high12 Ų1220.1 Ų20.18%0.08112%0.118CC..Hα-helixtrans-62.1-41.6173.4-62.90000112.4S317 G318 L319 E324 Y325 R493S317-C321 PolarHBondContact O-N 3.2Å; S317-C321 PolarHBondContact O-SG 2.87Å; G318-C321 PolarHBondContact O-N 3.23Å; L319-C321 VanDerWaalsContact C-N 3.33Å; L319-C321 PolarHBondContact O-N 2.86Å; C321-E324 PolarHBondContact O-N 3.18Å; C321-Y325 WeakPolarHBondContact O-CB 3.23Å; C321-Y325 PolarHBondContact O-N 3.4Å; C321-R493 PolarHBondContact SG-NE 2.82Å; C321-R493 VanDerWaalsContact SG-NE 3.36Å
322A96Very high93.8Very high0 Ų018 Ų180%011%0.109CC..Hα-helixtrans-61.9-45.7177.500000112.4N268 V269 G318 L319 Y325 L326 L351N268-A322 HydrophobicContact CB-CB 3.93Å; N268-A322 VanDerWaalsContact O-CB 3.29Å; N268-A322 WeakPolarHBondContact O-CB 3.38Å; V269-A322 HydrophobicContact CG2-CB 3.84Å; G318-A322 WeakPolarHBondContact O-CB 3.43Å; G318-A322 PolarHBondContact O-N 3.06Å; L319-A322 WeakPolarHBondContact O-CB 3.36Å; L319-A322 PolarHBondContact O-N 3.37Å; A322-Y325 PolarHBondContact O-N 3.3Å; A322-L326 WeakPolarHBondContact O-CG 3.44Å; A322-L326 PolarHBondContact O-N 2.9Å; A322-L326 VanDerWaalsContact O-N 3.08Å; A322-L351 HydrophobicContact CB-CB 3.98Å; A322-L351 HydrophobicContact CB-CD2 4.22Å
323V95.4Very high93.3Very high0 Ų017.9 Ų17.90%011%0.108CC..Hα-helixtrans-71.6-37.1179.7177.70000111.4L319 L320 L326 H327 V336 L351 D397 L489L319-V323 HydrophobicContact CD1-CG2 4.18Å; L319-V323 PolarHBondContact O-N 3.4Å; L320-V323 PolarHBondContact O-N 3.27Å; V323-L326 PolarHBondContact O-N 3.19Å; V323-H327 WeakPolarHBondContact CG1-NE2 3.33Å; V323-H327 WeakPolarHBondContact O-CB 3.33Å; V323-H327 PolarHBondContact O-CD2 3.44Å; V323-H327 VanDerWaalsContact O-CD2 3.27Å; V323-H327 VanDerWaalsContact O-CG 3.23Å; V323-H327 PolarHBondContact O-N 3.04Å; V323-V336 HydrophobicContact CG2-CG2 4.11Å; V323-L351 HydrophobicContact CG2-CD2 3.76Å; V323-D397 HydrophobicContact CG1-CB 3.8Å; V323-L489 HydrophobicContact CB-CD2 4.04Å; V323-L489 HydrophobicContact CG1-CD2 3.79Å
324E94.8Very high92.7Very high38 Ų3818.4 Ų18.418%0.17811%0.112CC..Hα-helixtrans-61.2-44.8173.4-174.6178.2-166.700111.7L320 C321 H327 G328 L489 Q490 R493L320-E324 WeakPolarHBondContact O-CB 3.43Å; L320-E324 PolarHBondContact O-N 3.4Å; C321-E324 PolarHBondContact O-N 3.18Å; E324-H327 PolarHBondContact O-N 3.46Å; E324-G328 PolarHBondContact O-N 2.91Å; E324-L489 HydrophobicContact CB-CD2 3.87Å; E324-L489 HydrophobicContact CB-CG 4.47Å; E324-Q490 WeakPolarHBondContact OE1-CG 3.36Å; E324-Q490 PolarHBondContact OE1-NE2 3.24Å; E324-R493 WeakPolarHBondContact OE2-CD 3.47Å; E324-R493 IonicContact OE2-CZ 2.88Å; E324-R493 IonicContact OE2-NE 2.76Å; E324-R493 IonicContact OE2-NH1 2.62Å; E324-R493 PolarHBondContact OE2-NH1 3.14Å
325Y93.5Very high92Very high63 Ų6317.7 Ų17.725%0.24711%0.105CC..Hα-helixtrans-59.8-48.5175.9173.2-94.1000112.2R263 C265 H266 V269 C321 A322 H327 G328 L329R263-Y325 PolarHBondContact O-OH 2.91Å; C265-Y325 PolarHBondContact N-OH 3.27Å; C265-Y325 PolarHBondContact O-OH 2.85Å; C265-Y325 VanDerWaalsContact O-OH 3.11Å; H266-Y325 HydrophobicContact CB-CD1 3.53Å; H266-Y325 HydrophobicContact CB-CD2 3.91Å; H266-Y325 HydrophobicContact CB-CE1 3.65Å; H266-Y325 HydrophobicContact CB-CE2 4.01Å; H266-Y325 HydrophobicContact CB-CG 3.66Å; H266-Y325 AromaticContact CD2-CD2 3.76Å; H266-Y325 AromaticContact CD2-CG 3.8Å; H266-Y325 AromaticContact CG-CG 3.72Å; V269-Y325 HydrophobicContact CG2-CD1 4.23Å; C321-Y325 WeakPolarHBondContact O-CB 3.23Å; C321-Y325 PolarHBondContact O-N 3.4Å; A322-Y325 PolarHBondContact O-N 3.3Å; Y325-H327 VanDerWaalsContact C-N 3.3Å; Y325-H327 PolarHBondContact O-N 2.89Å; Y325-G328 PolarHBondContact O-N 3.25Å; Y325-L329 HydrophobicContact CD1-CD1 4.25Å; Y325-L329 HydrophobicContact CE1-CD1 3.53Å; Y325-L329 HydrophobicContact CE1-CG 4.46Å; Y325-L329 HydrophobicContact CE2-CD1 4.42Å; Y325-L329 PolarHBondContact O-N 3.17Å
326L91.8Very high91.8Very high0 Ų017.7 Ų17.70%011%0.105CC..Hα-helixtrans-59.5-42175.6-69.6174.4000111.5C264 A322 V323 G328 L329 E330 I331 H333 L351C264-L326 WeakPolarHBondContact SG-CD2 3.27Å; A322-L326 WeakPolarHBondContact O-CG 3.44Å; A322-L326 PolarHBondContact O-N 2.9Å; A322-L326 VanDerWaalsContact O-N 3.08Å; V323-L326 PolarHBondContact O-N 3.19Å; L326-G328 VanDerWaalsContact C-N 3.32Å; L326-G328 PolarHBondContact O-N 3.43Å; L326-L329 PolarHBondContact O-N 3.36Å; L326-L329 VanDerWaalsContact O-N 3.13Å; L326-E330 PolarHBondContact O-N 3.4Å; L326-I331 CarbonylContact C-O 3.58Å; L326-I331 HydrophobicContact CB-CB 4.27Å; L326-I331 HydrophobicContact CB-CG2 4.46Å; L326-I331 HydrophobicContact CD2-CB 4.31Å; L326-I331 HydrophobicContact CD2-CD1 4.15Å; L326-I331 HydrophobicContact CD2-CG2 4.11Å; L326-I331 WeakPolarHBondContact O-CB 3.39Å; L326-I331 PolarHBondContact O-N 3.36Å; L326-I331 VanDerWaalsContact O-O 3.11Å; L326-H333 HydrophobicContact CD1-CB 4.16Å; L326-L351 HydrophobicContact CD1-CD2 3.97Å
327H91.4Very high91.5Very high20 Ų2019.5 Ų19.59%0.09311%0.113CC..Hα-helixtrans-66.5-32.7178-74.3-167.1000112.5V323 E324 Y325 L329 E330 I331 K394 D397V323-H327 WeakPolarHBondContact CG1-NE2 3.33Å; V323-H327 WeakPolarHBondContact O-CB 3.33Å; V323-H327 PolarHBondContact O-CD2 3.44Å; V323-H327 VanDerWaalsContact O-CD2 3.27Å; V323-H327 VanDerWaalsContact O-CG 3.23Å; V323-H327 PolarHBondContact O-N 3.04Å; E324-H327 PolarHBondContact O-N 3.46Å; Y325-H327 VanDerWaalsContact C-N 3.3Å; Y325-H327 PolarHBondContact O-N 2.89Å; H327-L329 VanDerWaalsContact C-N 3.3Å; H327-E330 PolarHBondContact O-N 2.8Å; H327-I331 PolarHBondContact CD2-O 3.21Å; H327-K394 HydrophobicContact CB-CD 3.96Å; H327-K394 HydrophobicContact CB-CG 4.45Å; H327-K394 PolarHBondContact CE1-O 2.85Å; H327-K394 VanDerWaalsContact CE1-O 3.25Å; H327-K394 VanDerWaalsContact O-CE 3.29Å; H327-K394 WeakPolarHBondContact O-CE 3.36Å; H327-K394 PolarHBondContact O-NZ 3.18Å; H327-D397 IonicContact CD2-OD2 2.71Å; H327-D397 IonicContact CE1-OD2 2.82Å; H327-D397 IonicContact NE2-OD2 2.68Å; H327-D397 PolarHBondContact NE2-OD2 3.36Å
328G90.1Very high91.4Very high64 Ų6418.9 Ų18.966%0.6611%0.108SC*.Hα-helixtrans-66-29.8171.700000113.5E324 Y325 L326 E330E324-G328 PolarHBondContact O-N 2.91Å; Y325-G328 PolarHBondContact O-N 3.25Å; L326-G328 VanDerWaalsContact C-N 3.32Å; L326-G328 PolarHBondContact O-N 3.43Å; G328-E330 VanDerWaalsContact C-N 3.28Å; G328-E330 PolarHBondContact O-N 3.39Å
329L86.5Confident91.1Very high49 Ų4920 Ų2026%0.25712%0.116SC..THydrogen-bonded Turntrans-85.17.1174.3-65.7-179.2000114.2R263 Y325 L326 H327 I331R263-L329 PolarHBondContact NH2-O 3.11Å; R263-L329 VanDerWaalsContact O-CD1 3.3Å; R263-L329 WeakPolarHBondContact O-CD1 3.07Å; Y325-L329 HydrophobicContact CD1-CD1 4.25Å; Y325-L329 HydrophobicContact CE1-CD1 3.53Å; Y325-L329 HydrophobicContact CE1-CG 4.46Å; Y325-L329 HydrophobicContact CE2-CD1 4.42Å; Y325-L329 PolarHBondContact O-N 3.17Å; L326-L329 PolarHBondContact O-N 3.36Å; L326-L329 VanDerWaalsContact O-N 3.13Å; H327-L329 VanDerWaalsContact C-N 3.3Å; L329-I331 VanDerWaalsContact C-N 3.25Å; L329-I331 HydrophobicContact CB-CD1 3.8Å; L329-I331 HydrophobicContact CB-CG1 4.19Å; L329-I331 HydrophobicContact CD1-CD1 4.07Å; L329-I331 PolarHBondContact O-N 3.47Å
330E85.5Confident90.9Very high68 Ų6821 Ų2132%0.31812%0.121SC..THydrogen-bonded Turntrans54.337.8-169.8-64.8-57.5149.800113.7L326 H327 G328 C359 V361 K394L326-E330 PolarHBondContact O-N 3.4Å; H327-E330 PolarHBondContact O-N 2.8Å; G328-E330 VanDerWaalsContact C-N 3.28Å; G328-E330 PolarHBondContact O-N 3.39Å; E330-C359 PolarHBondContact O-N 2.77Å; E330-V361 HydrophobicContact CG-CG2 4.26Å; E330-K394 IonicContact OE1-NZ 2.67Å; E330-K394 PolarHBondContact OE1-NZ 3.25Å; E330-K394 WeakPolarHBondContact OE2-CE 3.38Å; E330-K394 IonicContact OE2-NZ 2.87Å; E330-K394 PolarHBondContact OE2-NZ 3.34Å
331I84.6Confident90.9Very high0 Ų021 Ų210%012%0.121CC..EExtended strand (participates in β ladder)trans-104.5131.5170.4-61.3159.5000108.6I260 L326 H327 L329 A356 L358I260-I331 HydrophobicContact CG2-CD1 4.11Å; I260-I331 HydrophobicContact CG2-CG2 4.38Å; L326-I331 CarbonylContact C-O 3.58Å; L326-I331 HydrophobicContact CB-CB 4.27Å; L326-I331 HydrophobicContact CB-CG2 4.46Å; L326-I331 HydrophobicContact CD2-CB 4.31Å; L326-I331 HydrophobicContact CD2-CD1 4.15Å; L326-I331 HydrophobicContact CD2-CG2 4.11Å; L326-I331 WeakPolarHBondContact O-CB 3.39Å; L326-I331 PolarHBondContact O-N 3.36Å; L326-I331 VanDerWaalsContact O-O 3.11Å; H327-I331 PolarHBondContact CD2-O 3.21Å; L329-I331 VanDerWaalsContact C-N 3.25Å; L329-I331 HydrophobicContact CB-CD1 3.8Å; L329-I331 HydrophobicContact CB-CG1 4.19Å; L329-I331 HydrophobicContact CD1-CD1 4.07Å; L329-I331 PolarHBondContact O-N 3.47Å; I331-A356 HydrophobicContact CG2-CB 4.04Å; I331-L358 HydrophobicContact CD1-CD2 4.46Å; I331-L358 HydrophobicContact CG1-CD2 3.71Å
332I86.1Confident90.9Very high2 Ų222.2 Ų22.21%0.0113%0.127CC..EExtended strand (participates in β ladder)trans-103.7130169-56.7167.6000106.9H357 C359 L392 K394 D397I332-H357 PolarHBondContact N-O 3.3Å; I332-H357 PolarHBondContact O-N 2.83Å; I332-C359 HydrophobicContact CD1-CB 3.74Å; I332-C359 HydrophobicContact CG1-CB 4.18Å; I332-L392 HydrophobicContact CB-CD2 4.38Å; I332-L392 HydrophobicContact CB-CG 4.38Å; I332-L392 HydrophobicContact CD1-CD2 4.49Å; I332-L392 HydrophobicContact CD1-CG 4.1Å; I332-L392 HydrophobicContact CG2-CD1 3.75Å; I332-L392 HydrophobicContact CG2-CD2 4.28Å; I332-L392 HydrophobicContact CG2-CG 3.89Å; I332-K394 HydrophobicContact CG1-CG 4.05Å; I332-D397 WeakPolarHBondContact CG2-OD2 3.35Å
333H87.4Confident90.9Very high0 Ų022.2 Ų22.20%013%0.127CC..  trans-78.2-31.3-173.5-169.2-102.3000113.1L326 N335 V336 A352 M355 D397L326-H333 HydrophobicContact CD1-CB 4.16Å; H333-N335 PolarHBondContact CE1-O 3.29Å; H333-N335 PolarHBondContact ND1-O 3.21Å; H333-N335 PolarHBondContact O-N 3.46Å; H333-V336 HydrophobicContact CB-CG2 3.88Å; H333-V336 WeakPolarHBondContact ND1-CG2 3.27Å; H333-V336 PolarHBondContact ND1-N 2.82Å; H333-A352 PolarHBondContact CE1-O 3.24Å; H333-A352 VanDerWaalsContact CE1-O 3.32Å; H333-A352 PolarHBondContact NE2-O 3.47Å; H333-M355 CarbonylContact O-C 3.37Å; H333-D397 PolarHBondContact N-OD1 2.84Å; H333-D397 PolarHBondContact N-OD2 2.8Å
334S82.9Confident90.9Very high11 Ų1123.6 Ų23.68%0.07713%0.134CC..SBendtrans61.6-22.6178.388.40000117.5M355 D397S334-M355 PolarHBondContact OG-O 2.68Å; S334-D397 WeakPolarHBondContact CA-OD1 3.39Å; S334-D397 PolarHBondContact N-OD1 2.62Å
335N83.9Confident90.9Very high23 Ų2329 Ų2912%0.12316%0.159CC..  trans-132.453.9-174.6-165.6-16.3000110.4H333 N340 P354 M355H333-N335 PolarHBondContact CE1-O 3.29Å; H333-N335 PolarHBondContact ND1-O 3.21Å; H333-N335 PolarHBondContact O-N 3.46Å; N335-N340 PolarHBondContact O-ND2 2.76Å; N335-N340 PolarHBondContact OD1-ND2 3.08Å; N335-P354 HydrophobicContact CB-CG 4.01Å; N335-M355 HydrophobicContact CB-CB 4.27Å
336V92.8Very high90.9Very high1 Ų132 Ų321%0.00618%0.18CC..  trans-80.4125170.6176.80000108.7L319 V323 H333 L351 D397 S400 V404L319-V336 HydrophobicContact CD1-CG1 4.1Å; V323-V336 HydrophobicContact CG2-CG2 4.11Å; H333-V336 HydrophobicContact CB-CG2 3.88Å; H333-V336 WeakPolarHBondContact ND1-CG2 3.27Å; H333-V336 PolarHBondContact ND1-N 2.82Å; V336-L351 HydrophobicContact CG2-CD2 4.45Å; V336-D397 HydrophobicContact CG2-CB 4.19Å; V336-S400 WeakPolarHBondContact O-CB 3.45Å; V336-V404 HydrophobicContact CG1-CG2 4.43Å
337K92.5Very high91.1Very high38 Ų3833.7 Ų33.717%0.16519%0.188CC..  trans-164.2160.4177.256175.7-172.31230110S339 N340 V341 Y381K337-S339 VanDerWaalsContact C-N 3.31Å; K337-S339 PolarHBondContact NZ-OG 2.98Å; K337-S339 PolarHBondContact O-N 3.15Å; K337-N340 WeakPolarHBondContact CE-ND2 3.35Å; K337-N340 VanDerWaalsContact CE-OD1 3.27Å; K337-N340 WeakPolarHBondContact CE-OD1 3.45Å; K337-N340 HydrophobicContact CG-CB 4.04Å; K337-N340 PolarHBondContact O-N 3.21Å; K337-V341 PolarHBondContact O-N 3.35Å; K337-Y381 HydrophobicContact CB-CD1 3.71Å; K337-Y381 HydrophobicContact CB-CD2 3.74Å; K337-Y381 HydrophobicContact CB-CE1 3.55Å; K337-Y381 HydrophobicContact CB-CE2 3.59Å; K337-Y381 HydrophobicContact CB-CG 3.8Å; K337-Y381 VanDerWaalsContact CB-CZ 3.47Å; K337-Y381 HydrophobicContact CD-CE2 4.4Å
338S95.3Very high91.3Very high0 Ų034.8 Ų34.80%020%0.196CC..G310 helixtrans-59.6-36.1-176.547.80000113.4L294 Q295 N340 V341 Y381 E407L294-S338 PolarHBondContact N-O 3.46Å; Q295-S338 PolarHBondContact N-O 3.04Å; S338-N340 PolarHBondContact O-N 2.77Å; S338-V341 PolarHBondContact O-N 3.23Å; S338-V341 VanDerWaalsContact O-N 3.1Å; S338-Y381 PolarHBondContact OG-OH 3.31Å; S338-E407 WeakPolarHBondContact CB-OE2 3.36Å; S338-E407 PolarHBondContact OG-OE2 3.06Å
339S91.7Very high91.7Very high30 Ų3031.8 Ų31.821%0.2117%0.166CC..G310 helixtrans-69.4-10173.926.30000115.2Q295 K337Q295-S339 PolarHBondContact OE1-OG 3Å; K337-S339 VanDerWaalsContact C-N 3.31Å; K337-S339 PolarHBondContact NZ-OG 2.98Å; K337-S339 PolarHBondContact O-N 3.15Å
340N93.1Very high92.2Very high21 Ų2130.9 Ų30.911%0.11216%0.16CC..G310 helixtrans-103-3.3172-66.7-10.2000112.6N335 K337 S338 A352N335-N340 PolarHBondContact O-ND2 2.76Å; N335-N340 PolarHBondContact OD1-ND2 3.08Å; K337-N340 WeakPolarHBondContact CE-ND2 3.35Å; K337-N340 VanDerWaalsContact CE-OD1 3.27Å; K337-N340 WeakPolarHBondContact CE-OD1 3.45Å; K337-N340 HydrophobicContact CG-CB 4.04Å; K337-N340 PolarHBondContact O-N 3.21Å; S338-N340 PolarHBondContact O-N 2.77Å; N340-A352 WeakPolarHBondContact O-CB 3.26Å; N340-A352 PolarHBondContact O-N 3.03Å
341V97Very high92.7Very high1 Ų127.8 Ų27.81%0.00615%0.145CC..EExtended strand (participates in β ladder)trans-92.597169.6-177.70000107.1S293 L294 I315 L319 K337 S338 P349 L351S293-V341 CarbonylContact C-O 3.58Å; S293-V341 WeakPolarHBondContact CA-O 3.23Å; L294-V341 HydrophobicContact CB-CB 3.97Å; L294-V341 HydrophobicContact CB-CG1 4.18Å; L294-V341 WeakPolarHBondContact CB-O 3.5Å; L294-V341 HydrophobicContact CD2-CB 4.15Å; L294-V341 HydrophobicContact CD2-CG1 4.11Å; L294-V341 PolarHBondContact N-O 3Å; I315-V341 HydrophobicContact CG2-CG1 4.39Å; L319-V341 HydrophobicContact CD1-CG2 3.9Å; L319-V341 HydrophobicContact CD2-CG2 4.28Å; K337-V341 PolarHBondContact O-N 3.35Å; S338-V341 PolarHBondContact O-N 3.23Å; S338-V341 VanDerWaalsContact O-N 3.1Å; V341-P349 HydrophobicContact CG1-CB 3.75Å; V341-L351 HydrophobicContact CG2-CD1 4.38Å
342L96.4Very high92.9Very high38 Ų3828.4 Ų28.420%0.19915%0.15CC..EExtended strand (participates in β ladder)trans-87.1155.8-179.8-53.2-176.7000111L270 M289 G292 P349 K350 A352L270-L342 HydrophobicContact CD2-CD1 4.17Å; M289-L342 HydrophobicContact CB-CB 3.95Å; M289-L342 HydrophobicContact CB-CD1 4.44Å; M289-L342 HydrophobicContact CG-CB 3.61Å; M289-L342 HydrophobicContact CG-CD1 3.87Å; M289-L342 HydrophobicContact CG-CG 4.39Å; M289-L342 HydrophobicContact SD-CB 4.18Å; G292-L342 WeakPolarHBondContact O-CA 3.04Å; L342-P349 CarbonylContact O-C 3.33Å; L342-P349 WeakPolarHBondContact O-CA 3.39Å; L342-K350 PolarHBondContact N-O 3.16Å; L342-K350 PolarHBondContact O-N 2.75Å; L342-A352 HydrophobicContact CD1-CB 3.95Å; L342-A352 HydrophobicContact CG-CB 4.13Å
343L96.9Very high92.1Very high0 Ų028.7 Ų28.70%015%0.152CC..EExtended strand (participates in β ladder)trans-122.1120.4-174.1-62.2170.7000110.1M289 N291 G292 R297 I315 L347 P349M289-L343 CarbonylContact C-O 3.41Å; N291-L343 HydrophobicContact CB-CB 3.61Å; N291-L343 PolarHBondContact N-O 3.38Å; N291-L343 VanDerWaalsContact N-O 3.12Å; G292-L343 PolarHBondContact O-N 3.34Å; R297-L343 HydrophobicContact CB-CD1 4.2Å; R297-L343 HydrophobicContact CG-CD1 3.81Å; I315-L343 HydrophobicContact CD1-CD1 4.35Å; I315-L343 HydrophobicContact CD1-CD2 3.67Å; I315-L343 HydrophobicContact CG1-CD2 3.86Å; L343-L347 HydrophobicContact CB-CD2 4.36Å; L343-L347 HydrophobicContact CD1-CD2 4.16Å; L343-P349 HydrophobicContact CD2-CB 4.43Å
344D94.8Very high90.8Very high29 Ų2930.2 Ų30.216%0.15516%0.161CC..  trans-74.5-175.2174.771.321.6000112.1M289 N291 N346 L347 T348 K350M289-D344 HydrophobicContact CE-CB 4.28Å; M289-D344 HydrophobicContact SD-CB 3.99Å; N291-D344 PolarHBondContact ND2-O 3.09Å; D344-N346 PolarHBondContact O-N 3.02Å; D344-N346 PolarHBondContact OD1-N 3.21Å; D344-L347 PolarHBondContact O-N 3.36Å; D344-L347 PolarHBondContact OD1-N 3.3Å; D344-T348 PolarHBondContact N-O 2.93Å; D344-T348 WeakPolarHBondContact OD1-CB 3.47Å; D344-T348 PolarHBondContact OD1-N 2.86Å; D344-T348 WeakPolarHBondContact OD2-CB 3.02Å; D344-K350 WeakPolarHBondContact OD2-CE 3.29Å; D344-K350 IonicContact OD2-NZ 2.75Å; D344-K350 PolarHBondContact OD2-NZ 2.92Å
345Q93.8Very high89.7Confident151 Ų15130.8 Ų30.871%0.70616%0.163SC*.THydrogen-bonded Turntrans-57.7-31.1-177.3-63.917418.200112.6A290 N291 L347A290-Q345 HydrophobicContact CB-CG 3.78Å; N291-Q345 PolarHBondContact ND2-O 2.66Å; Q345-L347 VanDerWaalsContact C-N 3.31Å; Q345-L347 PolarHBondContact O-N 2.77Å
346N94.5Very high88.4Confident126 Ų12630.1 Ų30.167%0.67416%0.161SC*.THydrogen-bonded Turntrans-96.119.8-179.2-60.2-16.4000111.9D344 T348D344-N346 PolarHBondContact O-N 3.02Å; D344-N346 PolarHBondContact OD1-N 3.21Å; N346-T348 PolarHBondContact O-N 3.14Å
347L95.1Very high86.9Confident35 Ų3532.7 Ų32.718%0.18317%0.173CC..  trans53.722.7-175.3-66.9164.9000113.8N291 L307 Q311 L343 D344 Q345N291-L347 HydrophobicContact CB-CD2 3.58Å; L307-L347 HydrophobicContact CD2-CD1 4.25Å; L307-L347 HydrophobicContact CD2-CD2 4.06Å; Q311-L347 HydrophobicContact CG-CB 3.93Å; Q311-L347 HydrophobicContact CG-CD1 4.07Å; Q311-L347 PolarHBondContact NE2-O 2.78Å; L343-L347 HydrophobicContact CB-CD2 4.36Å; L343-L347 HydrophobicContact CD1-CD2 4.16Å; D344-L347 PolarHBondContact O-N 3.36Å; D344-L347 PolarHBondContact OD1-N 3.3Å; Q345-L347 VanDerWaalsContact C-N 3.31Å; Q345-L347 PolarHBondContact O-N 2.77Å
348T96.7Very high85.1Confident43 Ų4333.5 Ų33.526%0.26418%0.178SC..  trans-79.1127.7178.1-62.60000109.2D344 N346D344-T348 PolarHBondContact N-O 2.93Å; D344-T348 WeakPolarHBondContact OD1-CB 3.47Å; D344-T348 PolarHBondContact OD1-N 2.86Å; D344-T348 WeakPolarHBondContact OD2-CB 3.02Å; N346-T348 PolarHBondContact O-N 3.14Å
349P97.9Very high83Confident2 Ų234.1 Ų34.11%0.01318%0.183CC..EExtended strand (participates in β ladder)trans-70135.9-175.831.2-38.8000111.5N268 I315 V341 L342 L343N268-P349 WeakPolarHBondContact CA-O 3.39Å; N268-P349 WeakPolarHBondContact CB-O 3.4Å; N268-P349 PolarHBondContact ND2-O 3.49Å; N268-P349 VanDerWaalsContact ND2-O 3.15Å; I315-P349 HydrophobicContact CG2-CB 4.35Å; V341-P349 HydrophobicContact CG1-CB 3.75Å; L342-P349 CarbonylContact O-C 3.33Å; L342-P349 WeakPolarHBondContact O-CA 3.39Å; L343-P349 HydrophobicContact CD2-CB 4.43Å
350K97.1Very high80.6Confident30 Ų3036.1 Ų36.113%0.1320%0.195CC..EExtended strand (participates in β ladder)trans-121.9112.9167.9-45.8-61.4167.6-1790108.5P267 N268 L270 M289 L342 D344 A352P267-K350 WeakPolarHBondContact O-CD 3.44Å; P267-K350 PolarHBondContact O-NZ 2.81Å; N268-K350 CarbonylContact O-C 3.43Å; N268-K350 WeakPolarHBondContact O-CA 3.44Å; L270-K350 HydrophobicContact CB-CB 4.16Å; L270-K350 HydrophobicContact CD1-CB 3.98Å; L270-K350 HydrophobicContact CD1-CG 4.43Å; M289-K350 HydrophobicContact CE-CG 4.27Å; M289-K350 HydrophobicContact SD-CB 4.24Å; M289-K350 HydrophobicContact SD-CG 3.65Å; L342-K350 PolarHBondContact N-O 3.16Å; L342-K350 PolarHBondContact O-N 2.75Å; D344-K350 WeakPolarHBondContact OD2-CE 3.29Å; D344-K350 IonicContact OD2-NZ 2.75Å; D344-K350 PolarHBondContact OD2-NZ 2.92Å; K350-A352 PolarHBondContact O-N 2.83Å
351L95.8Very high78.1Confident2 Ų240.4 Ų40.41%0.0122%0.222CC..EExtended strand (participates in β ladder)trans-70.4114170.8-177.160.8000109N268 L270 L319 A322 V323 L326 V336 V341N268-L351 PolarHBondContact O-N 2.82Å; L270-L351 WeakPolarHBondContact CB-O 3.04Å; L270-L351 PolarHBondContact N-O 3.29Å; L319-L351 HydrophobicContact CD1-CD1 4.24Å; L319-L351 HydrophobicContact CD1-CD2 4.44Å; A322-L351 HydrophobicContact CB-CB 3.98Å; A322-L351 HydrophobicContact CB-CD2 4.22Å; V323-L351 HydrophobicContact CG2-CD2 3.76Å; L326-L351 HydrophobicContact CD1-CD2 3.97Å; V336-L351 HydrophobicContact CG2-CD2 4.45Å; V341-L351 HydrophobicContact CG2-CD1 4.38Å
352A88.9Confident75.3Confident14 Ų1448 Ų4812%0.11626%0.262CS..  trans-79.5139.1177.200000111.1L270 H333 N340 L342 K350 P354L270-A352 HydrophobicContact CB-CB 4.4Å; L270-A352 HydrophobicContact CD2-CB 3.75Å; H333-A352 PolarHBondContact CE1-O 3.24Å; H333-A352 VanDerWaalsContact CE1-O 3.32Å; H333-A352 PolarHBondContact NE2-O 3.47Å; N340-A352 WeakPolarHBondContact O-CB 3.26Å; N340-A352 PolarHBondContact O-N 3.03Å; L342-A352 HydrophobicContact CD1-CB 3.95Å; L342-A352 HydrophobicContact CG-CB 4.13Å; K350-A352 PolarHBondContact O-N 2.83Å; A352-P354 WeakPolarHBondContact O-CD 3.44Å
353H69.9Low72.7Confident7 Ų753 Ų533%0.03228%0.282CS..  trans-90.1111.8175.7-47.4106.3000111.6K237 V269K237-H353 PolarHBondContact NZ-O 3.05Å; V269-H353 WeakPolarHBondContact CG1-CE1 3.33Å; V269-H353 VanDerWaalsContact CG1-NE2 3.29Å; V269-H353 WeakPolarHBondContact CG1-NE2 3.42Å
354P60.6Low69.9Low32 Ų3264.6 Ų64.621%0.20833%0.326CS..SBendtrans-109.8-22.516537.2-36.7000114.4N335 A352N335-P354 HydrophobicContact CB-CG 4.01Å; A352-P354 WeakPolarHBondContact O-CD 3.44Å
355M59.1Low67.6Low24 Ų2464.5 Ų64.512%0.11833%0.328CS..SBendtrans-154.847.4-169.8-63.6-166.672.100112.7F221 H333 S334 N335 L374F221-M355 HydrophobicContact CE2-CE 3.81Å; F221-M355 HydrophobicContact CE2-SD 3.9Å; F221-M355 HydrophobicContact CZ-CE 4.17Å; H333-M355 CarbonylContact O-C 3.37Å; S334-M355 PolarHBondContact OG-O 2.68Å; N335-M355 HydrophobicContact CB-CB 4.27Å; M355-L374 HydrophobicContact CE-CD1 4.06Å; M355-L374 HydrophobicContact SD-CD1 4.29Å
356A57.5Low65.1Low8 Ų861.1 Ų61.17%0.06631%0.311CS..  trans-75.8149.5-179.200000112.3I260 I331I260-A356 HydrophobicContact CD1-CB 3.8Å; I260-A356 VanDerWaalsContact CD1-O 3.26Å; I260-A356 WeakPolarHBondContact CD1-O 3.45Å; I260-A356 HydrophobicContact CG2-CB 3.84Å; I331-A356 HydrophobicContact CG2-CB 4.04Å
357H59.7Low62.7Low56 Ų5660 Ų6026%0.25930%0.298SS..EExtended strand (participates in β ladder)trans-137.3118-175.4-67.8-49.7000112.7I332 L392I332-H357 PolarHBondContact N-O 3.3Å; I332-H357 PolarHBondContact O-N 2.83Å; H357-L392 HydrophobicContact CB-CD2 3.75Å; H357-L392 WeakPolarHBondContact CD2-CD2 3.32Å
358L54.4Low60.1Low54 Ų5460.1 Ų60.128%0.28330%0.3SS..EExtended strand (participates in β ladder)trans-64.4132.9169.1-70.5165.1000111.2I260 I331 K366I260-L358 HydrophobicContact CD1-CG 4.23Å; I260-L358 HydrophobicContact CG1-CD1 4.21Å; I260-L358 HydrophobicContact CG1-CD2 4.46Å; I260-L358 HydrophobicContact CG1-CG 3.94Å; I331-L358 HydrophobicContact CD1-CD2 4.46Å; I331-L358 HydrophobicContact CG1-CD2 3.71Å; L358-K366 VanDerWaalsContact O-CE 3.29Å; L358-K366 WeakPolarHBondContact O-CE 3.37Å; L358-K366 PolarHBondContact O-NZ 3.29Å
359C52.5Low57.4Low13 Ų1362.5 Ų62.59%0.08831%0.314CS..  trans-124.888.9-178.3-1630000111.8E330 I332 V361E330-C359 PolarHBondContact O-N 2.77Å; I332-C359 HydrophobicContact CD1-CB 3.74Å; I332-C359 HydrophobicContact CG1-CB 4.18Å; C359-V361 PolarHBondContact O-N 3Å
360P41.3Very low54.7Low73 Ų7364.5 Ų64.547%0.47432%0.324SS..  trans-60.4137-176.3-2434.4000113.2N362 K363P360-N362 PolarHBondContact O-N 3.25Å; P360-K363 PolarHBondContact O-N 2.88Å
361V40.8Very low52Low111 Ų11167.9 Ų67.967%0.67334%0.339SS*.THydrogen-bonded Turntrans-47.9-36.9-174.5-178.60000113.8E330 C359 K363E330-V361 HydrophobicContact CG-CG2 4.26Å; C359-V361 PolarHBondContact O-N 3Å; V361-K363 PolarHBondContact O-N 3.13Å
362N37.4Very low49.4Very low161 Ų16173 Ų7386%0.86137%0.37SS*.THydrogen-bonded Turntrans-751.9-179.9-68.3-0.7000114.6P360P360-N362 PolarHBondContact O-N 3.25Å
363K41Very low46.7Very low142 Ų14279.8 Ų79.862%0.61740%0.399SS*.  trans-134.190.8173.6-66.6-171.2178.8-175.10109.9P360 V361 S365P360-K363 PolarHBondContact O-N 2.88Å; V361-K363 PolarHBondContact O-N 3.13Å; K363-S365 PolarHBondContact O-N 3.18Å
364R39.8Very low45.5Very low243 Ų24380.5 Ų80.592%0.91740%0.403SS*.SBendtrans-58.7-8.5-177.1-72.3-176.6174.6174-1.4115.7
365S44.8Very low45.1Very low28 Ų2882 Ų8220%0.19641%0.407CS..  trans-154.6146165.853.80000112K363 Q391K363-S365 PolarHBondContact O-N 3.18Å; S365-Q391 VanDerWaalsContact CB-NE2 3.32Å; S365-Q391 PolarHBondContact OG-NE2 3.42Å
366K42.4Very low44.6Very low80 Ų8087.4 Ų87.435%0.34843%0.432SS..EExtended strand (participates in β ladder)trans-105.6112.5162.8-75.8-176.7168.6-176.80109.5L358 T368 L392L358-K366 VanDerWaalsContact O-CE 3.29Å; L358-K366 WeakPolarHBondContact O-CE 3.37Å; L358-K366 PolarHBondContact O-NZ 3.29Å; K366-T368 PolarHBondContact O-N 3.47Å; K366-T368 PolarHBondContact O-OG1 2.93Å; K366-T368 VanDerWaalsContact O-OG1 3.06Å; K366-L392 VanDerWaalsContact O-CB 3.22Å; K366-L392 WeakPolarHBondContact O-CB 3.22Å; K366-L392 PolarHBondContact O-N 2.99Å
367Y43.8Very low44.3Very low102 Ų10290.4 Ų90.440%0.446%0.456SS..EExtended strand (participates in β ladder)trans-64118.7163.4-61-74.3000108V389 Q391Y367-V389 HydrophobicContact CE1-CG1 4.12Å; Y367-Q391 HydrophobicContact CD1-CB 4.3Å; Y367-Q391 HydrophobicContact CD1-CG 4.49Å; Y367-Q391 HydrophobicContact CE1-CB 4.11Å; Y367-Q391 HydrophobicContact CE1-CG 4.13Å
368T40.5Very low44.7Very low37 Ų3788.4 Ų88.423%0.22745%0.448CS..  trans-123.5114.3-170-54.60000109.8K366 M370 G390K366-T368 PolarHBondContact O-N 3.47Å; K366-T368 PolarHBondContact O-OG1 2.93Å; K366-T368 VanDerWaalsContact O-OG1 3.06Å; T368-M370 PolarHBondContact O-N 3.2Å; T368-G390 PolarHBondContact N-O 3.44Å; T368-G390 VanDerWaalsContact N-O 3.12Å
369V39.7Very low45.9Very low93 Ų9386.5 Ų86.556%0.56444%0.439SS*.  trans-75.293.5-178.5-176.70000109.8K371V369-K371 PolarHBondContact O-N 2.9Å
370M41.8Very low47.6Very low44 Ų4486 Ų8622%0.21744%0.436CS..  trans-70.3121.6170.4-73.5179.364.800110.1T368 L374 L382 F386T368-M370 PolarHBondContact O-N 3.2Å; M370-L374 HydrophobicContact CE-CB 4.47Å; M370-L382 HydrophobicContact CE-CD1 4.19Å; M370-F386 HydrophobicContact SD-CE1 3.61Å; M370-F386 HydrophobicContact SD-CZ 3.75Å
371K40.9Very low50Low101 Ų10183.2 Ų83.244%0.43942%0.416SS..  trans-62.2135.6175.6-68.7-171.4176.9-1710110.5A243 S245 V369 H373 L374A243-K371 PolarHBondContact O-NZ 3.19Å; S245-K371 PolarHBondContact OG-NZ 2.85Å; V369-K371 PolarHBondContact O-N 2.9Å; K371-H373 VanDerWaalsContact C-N 3.26Å; K371-H373 PolarHBondContact O-N 3.35Å; K371-L374 HydrophobicContact CB-CD1 4.27Å; K371-L374 PolarHBondContact O-N 3.3Å
372T40.3Very low52.2Low110 Ų11078.1 Ų78.168%0.67539%0.385SS*.THydrogen-bonded Turntrans-53.6-31.2-161.5-30.40000115.6L374 F375T372-L374 PolarHBondContact O-N 3.2Å; T372-F375 VanDerWaalsContact O-CB 3.26Å; T372-F375 WeakPolarHBondContact O-CB 3.4Å; T372-F375 PolarHBondContact O-N 3.22Å
373H32.4Very low54.5Low156 Ų15671.3 Ų71.372%0.72235%0.349SS*.Hα-helixtrans-72.6-22.5-179.7-103.5-72000115.3K371 F375K371-H373 VanDerWaalsContact C-N 3.26Å; K371-H373 PolarHBondContact O-N 3.35Å; H373-F375 PolarHBondContact O-N 2.92Å
374L44.6Very low56.4Low23 Ų2367.9 Ų67.912%0.1234%0.336CS..Hα-helixtrans-77.4-15.7180-60.1159.1000112.4F221 M355 M370 K371 T372 S378F221-L374 HydrophobicContact CD2-CD2 4.24Å; F221-L374 HydrophobicContact CE2-CD1 3.48Å; F221-L374 VanDerWaalsContact CE2-CD1 3.48Å; F221-L374 HydrophobicContact CE2-CD2 3.66Å; F221-L374 HydrophobicContact CE2-CG 4.17Å; F221-L374 HydrophobicContact CZ-CD1 3.63Å; F221-L374 HydrophobicContact CZ-CD2 4.5Å; M355-L374 HydrophobicContact CE-CD1 4.06Å; M355-L374 HydrophobicContact SD-CD1 4.29Å; M370-L374 HydrophobicContact CE-CB 4.47Å; K371-L374 HydrophobicContact CB-CD1 4.27Å; K371-L374 PolarHBondContact O-N 3.3Å; T372-L374 PolarHBondContact O-N 3.2Å; L374-S378 WeakPolarHBondContact O-CB 3.24Å; L374-S378 PolarHBondContact O-OG 2.71Å
375F51.4Low58Low64 Ų6460.3 Ų60.328%0.28131%0.313SS..Hα-helixtrans-65.6-54.6-173.3-150.3-115000110.7T372 H373 A377 S378 V379 I387T372-F375 VanDerWaalsContact O-CB 3.26Å; T372-F375 WeakPolarHBondContact O-CB 3.4Å; T372-F375 PolarHBondContact O-N 3.22Å; H373-F375 PolarHBondContact O-N 2.92Å; F375-A377 PolarHBondContact O-N 3.39Å; F375-S378 PolarHBondContact O-N 2.82Å; F375-V379 HydrophobicContact CD1-CG2 3.51Å; F375-V379 HydrophobicContact CD2-CG2 4.31Å; F375-V379 HydrophobicContact CE1-CG2 3.75Å; F375-V379 HydrophobicContact CG-CG2 3.83Å; F375-V379 HydrophobicContact CZ-CG2 4.27Å; F375-V379 WeakPolarHBondContact O-CB 3.42Å; F375-V379 VanDerWaalsContact O-CG2 3.23Å; F375-V379 WeakPolarHBondContact O-CG2 3.46Å; F375-V379 PolarHBondContact O-N 3.26Å; F375-I387 HydrophobicContact CE1-CG2 4.19Å; F375-I387 HydrophobicContact CZ-CB 4.34Å; F375-I387 HydrophobicContact CZ-CG2 3.69Å
376Q49.1Very low59.5Low137 Ų13759.6 Ų59.664%0.6431%0.307SS*.Hα-helixtrans-55.8-47.6-173.4-73.2178.8-33.600113.4S378Q376-S378 PolarHBondContact O-N 2.82Å
377A51Low60.9Low70 Ų7057.2 Ų57.258%0.57930%0.298SS*.THydrogen-bonded Turntrans-74.2-10-178.500000114.5F375F375-A377 PolarHBondContact O-N 3.39Å
378S69.1Low61.7Low14 Ų1455 Ų5510%0.09829%0.288CS..THydrogen-bonded Turntrans-117.6-23.3-174.6-43.90000113.3L374 F375 Q376 A380 Y381 L382L374-S378 WeakPolarHBondContact O-CB 3.24Å; L374-S378 PolarHBondContact O-OG 2.71Å; F375-S378 PolarHBondContact O-N 2.82Å; Q376-S378 PolarHBondContact O-N 2.82Å; S378-A380 PolarHBondContact O-N 3.2Å; S378-Y381 PolarHBondContact O-N 3.08Å; S378-L382 WeakPolarHBondContact O-CG 3.17Å; S378-L382 PolarHBondContact O-N 2.85Å
379V79.6Confident62.8Low15 Ų1555.1 Ų55.19%0.09129%0.289CS..G310 helixtrans-52.9-31.5-177.1149.80000113.5F375 Y381 L382 I387 Y423 K425F375-V379 HydrophobicContact CD1-CG2 3.51Å; F375-V379 HydrophobicContact CD2-CG2 4.31Å; F375-V379 HydrophobicContact CE1-CG2 3.75Å; F375-V379 HydrophobicContact CG-CG2 3.83Å; F375-V379 HydrophobicContact CZ-CG2 4.27Å; F375-V379 WeakPolarHBondContact O-CB 3.42Å; F375-V379 VanDerWaalsContact O-CG2 3.23Å; F375-V379 WeakPolarHBondContact O-CG2 3.46Å; F375-V379 PolarHBondContact O-N 3.26Å; V379-Y381 PolarHBondContact O-N 2.92Å; V379-L382 PolarHBondContact O-N 2.88Å; V379-I387 HydrophobicContact CB-CD1 4.44Å; V379-I387 HydrophobicContact CG1-CD1 4.13Å; V379-I387 HydrophobicContact CG2-CD1 4.09Å; V379-I387 HydrophobicContact CG2-CG1 4.35Å; V379-Y423 HydrophobicContact CG1-CE1 4.12Å; V379-Y423 HydrophobicContact CG1-CE2 4.26Å; V379-K425 WeakPolarHBondContact O-CE 3.26Å; V379-K425 PolarHBondContact O-NZ 2.76Å
380A87.5Confident64Low2 Ų251.7 Ų51.72%0.01727%0.273CS..G310 helixtrans-57.7-28.917400000113.9S378 A414 M415 Y423S378-A380 PolarHBondContact O-N 3.2Å; A380-A414 HydrophobicContact CB-CB 3.88Å; A380-M415 HydrophobicContact CB-CB 4.1Å; A380-Y423 HydrophobicContact CB-CD1 3.71Å; A380-Y423 HydrophobicContact CB-CE1 4.2Å
381Y91.3Very high65.3Low15 Ų1552.9 Ų52.96%0.05928%0.278CS..G310 helixtrans-103.8-2.3-177.7-60-91.2000113.5K337 S338 S378 V379 F399 S400 I403 V404 E407 A414K337-Y381 HydrophobicContact CB-CD1 3.71Å; K337-Y381 HydrophobicContact CB-CD2 3.74Å; K337-Y381 HydrophobicContact CB-CE1 3.55Å; K337-Y381 HydrophobicContact CB-CE2 3.59Å; K337-Y381 HydrophobicContact CB-CG 3.8Å; K337-Y381 VanDerWaalsContact CB-CZ 3.47Å; K337-Y381 HydrophobicContact CD-CE2 4.4Å; S338-Y381 PolarHBondContact OG-OH 3.31Å; S378-Y381 PolarHBondContact O-N 3.08Å; V379-Y381 PolarHBondContact O-N 2.92Å; Y381-F399 WeakPolarHBondContact O-CD1 3.35Å; Y381-S400 WeakPolarHBondContact O-CA 3.08Å; Y381-S400 WeakPolarHBondContact O-CB 3.41Å; Y381-S400 PolarHBondContact O-OG 3.29Å; Y381-I403 HydrophobicContact CD1-CB 3.96Å; Y381-I403 HydrophobicContact CD1-CG2 3.57Å; Y381-I403 HydrophobicContact CE1-CG2 3.81Å; Y381-I403 HydrophobicContact CG-CG2 4.33Å; Y381-V404 HydrophobicContact CD1-CG2 4.18Å; Y381-V404 HydrophobicContact CE1-CG2 3.94Å; Y381-E407 WeakPolarHBondContact CE1-OE2 3.18Å; Y381-E407 PolarHBondContact OH-OE1 3.12Å; Y381-E407 PolarHBondContact OH-OE2 2.84Å; Y381-E407 VanDerWaalsContact OH-OE2 3.13Å; Y381-A414 HydrophobicContact CD1-CB 4.44Å; Y381-A414 HydrophobicContact CD2-CB 4.41Å; Y381-A414 HydrophobicContact CE1-CB 3.81Å; Y381-A414 HydrophobicContact CE2-CB 3.77Å; Y381-A414 VanDerWaalsContact CZ-CB 3.44Å
382L87.3Confident66.9Low3 Ų348.2 Ų48.22%0.01626%0.257CS..SBendtrans-107.8139.7-172.6-65.6174.3000111.6M370 S378 V379 F386 I387 V396 K425M370-L382 HydrophobicContact CE-CD1 4.19Å; S378-L382 WeakPolarHBondContact O-CG 3.17Å; S378-L382 PolarHBondContact O-N 2.85Å; V379-L382 PolarHBondContact O-N 2.88Å; L382-F386 HydrophobicContact CB-CD1 4.27Å; L382-F386 HydrophobicContact CD1-CD1 4.14Å; L382-F386 HydrophobicContact CD1-CE1 4.02Å; L382-F386 HydrophobicContact CD2-CD1 3.81Å; L382-F386 HydrophobicContact CD2-CE1 3.84Å; L382-F386 HydrophobicContact CG-CD1 4.29Å; L382-F386 HydrophobicContact CG-CE1 4.46Å; L382-I387 HydrophobicContact CB-CD1 4.01Å; L382-I387 HydrophobicContact CB-CG1 3.9Å; L382-I387 WeakPolarHBondContact O-CD1 3.19Å; L382-V396 HydrophobicContact CD2-CG1 3.65Å; L382-K425 PolarHBondContact O-NZ 3.07Å
383P86.4Confident68.9Low18 Ų1844.7 Ų44.712%0.11724%0.236CC..  trans-74.7151.1177.327.5-30000112D385 F386 I387 F399P383-D385 VanDerWaalsContact C-N 3.28Å; P383-D385 PolarHBondContact O-N 2.73Å; P383-F386 HydrophobicContact CG-CB 3.83Å; P383-F386 PolarHBondContact O-N 2.75Å; P383-I387 WeakPolarHBondContact O-CG1 3.35Å; P383-I387 PolarHBondContact O-N 3.23Å; P383-F399 HydrophobicContact CB-CB 4.23Å; P383-F399 HydrophobicContact CB-CD1 3.98Å; P383-F399 HydrophobicContact CB-CD2 3.72Å; P383-F399 HydrophobicContact CB-CE1 4.21Å; P383-F399 HydrophobicContact CB-CE2 3.95Å; P383-F399 HydrophobicContact CB-CG 3.72Å; P383-F399 HydrophobicContact CB-CZ 4.18Å; P383-F399 HydrophobicContact CG-CB 4.03Å; P383-F399 HydrophobicContact CG-CD1 4.26Å; P383-F399 HydrophobicContact CG-CD2 4.45Å; P383-F399 HydrophobicContact CG-CG 4.01Å
384E80.8Confident71.6Confident71 Ų7140.2 Ų40.233%0.33221%0.214SC..Hα-helixtrans-61.2-36.4-172.5-67.457.2-115.200111.9F386 I387 R388 K425E384-F386 VanDerWaalsContact C-N 3.34Å; E384-I387 PolarHBondContact O-N 2.81Å; E384-R388 VanDerWaalsContact O-CB 3.24Å; E384-R388 WeakPolarHBondContact O-CB 3.31Å; E384-R388 PolarHBondContact O-N 2.84Å; E384-K425 WeakPolarHBondContact OE1-CE 3.49Å; E384-K425 IonicContact OE1-NZ 2.79Å; E384-K425 PolarHBondContact OE1-NZ 3.42Å
385D74.2Confident73.6Confident83 Ų8341.6 Ų41.644%0.44422%0.218SC..Hα-helixtrans-72.8-23.7177.7-76.7-15.3000113.1P383 R388 V389P383-D385 VanDerWaalsContact C-N 3.28Å; P383-D385 PolarHBondContact O-N 2.73Å; D385-R388 IonicContact OD1-CZ 2.78Å; D385-R388 IonicContact OD1-NE 3.79Å; D385-R388 PolarHBondContact OD1-NE 2.85Å; D385-R388 VanDerWaalsContact OD1-NE 3.14Å; D385-R388 IonicContact OD1-NH2 3.94Å; D385-R388 PolarHBondContact OD1-NH2 3.04Å; D385-V389 WeakPolarHBondContact O-CB 3.26Å; D385-V389 WeakPolarHBondContact O-CG2 3.29Å; D385-V389 PolarHBondContact O-N 3.47Å
386F76.2Confident75.4Confident14 Ų1438.7 Ų38.76%0.06121%0.205CC..Hα-helixtrans-79.9-41.1169.8177.5-108.2000111.4M370 L382 P383 E384 R388 G390 L392 V396M370-F386 HydrophobicContact SD-CE1 3.61Å; M370-F386 HydrophobicContact SD-CZ 3.75Å; L382-F386 HydrophobicContact CB-CD1 4.27Å; L382-F386 HydrophobicContact CD1-CD1 4.14Å; L382-F386 HydrophobicContact CD1-CE1 4.02Å; L382-F386 HydrophobicContact CD2-CD1 3.81Å; L382-F386 HydrophobicContact CD2-CE1 3.84Å; L382-F386 HydrophobicContact CG-CD1 4.29Å; L382-F386 HydrophobicContact CG-CE1 4.46Å; P383-F386 HydrophobicContact CG-CB 3.83Å; P383-F386 PolarHBondContact O-N 2.75Å; E384-F386 VanDerWaalsContact C-N 3.34Å; F386-R388 PolarHBondContact O-N 3.02Å; F386-G390 WeakPolarHBondContact O-CA 3.48Å; F386-G390 PolarHBondContact O-N 2.99Å; F386-L392 HydrophobicContact CE2-CB 4.09Å; F386-L392 HydrophobicContact CE2-CD1 3.98Å; F386-L392 HydrophobicContact CZ-CD1 4.08Å; F386-V396 HydrophobicContact CB-CG2 3.99Å; F386-V396 HydrophobicContact CD1-CG1 4.07Å; F386-V396 HydrophobicContact CD1-CG2 4.37Å; F386-V396 HydrophobicContact CD2-CG2 3.67Å; F386-V396 HydrophobicContact CE1-CG1 4.3Å; F386-V396 HydrophobicContact CE2-CG2 4.25Å; F386-V396 HydrophobicContact CG-CG1 4.26Å; F386-V396 HydrophobicContact CG-CG2 3.74Å
387I71.3Confident77.4Confident30 Ų3032.1 Ų32.115%0.15418%0.175CC..Hα-helixtrans-56.6-34.3172.1-71.7171.1000111.4F375 V379 L382 P383 E384F375-I387 HydrophobicContact CE1-CG2 4.19Å; F375-I387 HydrophobicContact CZ-CB 4.34Å; F375-I387 HydrophobicContact CZ-CG2 3.69Å; V379-I387 HydrophobicContact CB-CD1 4.44Å; V379-I387 HydrophobicContact CG1-CD1 4.13Å; V379-I387 HydrophobicContact CG2-CD1 4.09Å; V379-I387 HydrophobicContact CG2-CG1 4.35Å; L382-I387 HydrophobicContact CB-CD1 4.01Å; L382-I387 HydrophobicContact CB-CG1 3.9Å; L382-I387 WeakPolarHBondContact O-CD1 3.19Å; P383-I387 WeakPolarHBondContact O-CG1 3.35Å; P383-I387 PolarHBondContact O-N 3.23Å; E384-I387 PolarHBondContact O-N 2.81Å
388R61.3Low79.5Confident54 Ų5429.1 Ų29.120%0.20415%0.149CC..Hα-helixtrans-78.1-63175.4-171.5-160-34.5-64.5-4.1112.6E59 E384 D385 F386E59-R388 WeakPolarHBondContact OE2-CD 3.38Å; E59-R388 WeakPolarHBondContact OE2-CG 3.48Å; E384-R388 VanDerWaalsContact O-CB 3.24Å; E384-R388 WeakPolarHBondContact O-CB 3.31Å; E384-R388 PolarHBondContact O-N 2.84Å; D385-R388 IonicContact OD1-CZ 2.78Å; D385-R388 IonicContact OD1-NE 3.79Å; D385-R388 PolarHBondContact OD1-NE 2.85Å; D385-R388 VanDerWaalsContact OD1-NE 3.14Å; D385-R388 IonicContact OD1-NH2 3.94Å; D385-R388 PolarHBondContact OD1-NH2 3.04Å; F386-R388 PolarHBondContact O-N 3.02Å
389V63.6Low80.7Confident41 Ų4128.7 Ų28.725%0.24815%0.146CC..Hα-helixtrans-93.9-14.6-163.1-170.30000113Y367 D385 Q391Y367-V389 HydrophobicContact CE1-CG1 4.12Å; D385-V389 WeakPolarHBondContact O-CB 3.26Å; D385-V389 WeakPolarHBondContact O-CG2 3.29Å; D385-V389 PolarHBondContact O-N 3.47Å; V389-Q391 HydrophobicContact CB-CB 4.46Å; V389-Q391 HydrophobicContact CG1-CB 4.16Å; V389-Q391 PolarHBondContact O-N 3.48Å; V389-Q391 VanDerWaalsContact O-N 3.13Å
390G63.9Low81.4Confident21 Ų2128 Ų2822%0.21614%0.142CC..  trans64.314.2-177.500000114.8T368 F386 L392T368-G390 PolarHBondContact N-O 3.44Å; T368-G390 VanDerWaalsContact N-O 3.12Å; F386-G390 WeakPolarHBondContact O-CA 3.48Å; F386-G390 PolarHBondContact O-N 2.99Å; G390-L392 PolarHBondContact O-N 2.97Å; G390-L392 VanDerWaalsContact O-N 3.11Å
391Q69.4Low81.8Confident69 Ų6928 Ų2832%0.32214%0.141SC..EExtended strand (participates in β ladder)trans-78.991.7-174.6-166-172.533.900110.9S365 Y367 V389 T393S365-Q391 VanDerWaalsContact CB-NE2 3.32Å; S365-Q391 PolarHBondContact OG-NE2 3.42Å; Y367-Q391 HydrophobicContact CD1-CB 4.3Å; Y367-Q391 HydrophobicContact CD1-CG 4.49Å; Y367-Q391 HydrophobicContact CE1-CB 4.11Å; Y367-Q391 HydrophobicContact CE1-CG 4.13Å; V389-Q391 HydrophobicContact CB-CB 4.46Å; V389-Q391 HydrophobicContact CG1-CB 4.16Å; V389-Q391 PolarHBondContact O-N 3.48Å; V389-Q391 VanDerWaalsContact O-N 3.13Å; Q391-T393 HydrophobicContact CG-CG2 4.17Å; Q391-T393 PolarHBondContact O-N 3.24Å
392L73.4Confident82Confident2 Ų227.2 Ų27.21%0.0114%0.138CC..EExtended strand (participates in β ladder)trans-67.4121.9-179.9-171.967.6000110.4I332 H357 K366 F386 G390 V396I332-L392 HydrophobicContact CB-CD2 4.38Å; I332-L392 HydrophobicContact CB-CG 4.38Å; I332-L392 HydrophobicContact CD1-CD2 4.49Å; I332-L392 HydrophobicContact CD1-CG 4.1Å; I332-L392 HydrophobicContact CG2-CD1 3.75Å; I332-L392 HydrophobicContact CG2-CD2 4.28Å; I332-L392 HydrophobicContact CG2-CG 3.89Å; H357-L392 HydrophobicContact CB-CD2 3.75Å; H357-L392 WeakPolarHBondContact CD2-CD2 3.32Å; K366-L392 VanDerWaalsContact O-CB 3.22Å; K366-L392 WeakPolarHBondContact O-CB 3.22Å; K366-L392 PolarHBondContact O-N 2.99Å; F386-L392 HydrophobicContact CE2-CB 4.09Å; F386-L392 HydrophobicContact CE2-CD1 3.98Å; F386-L392 HydrophobicContact CZ-CD1 4.08Å; G390-L392 PolarHBondContact O-N 2.97Å; G390-L392 VanDerWaalsContact O-N 3.11Å; L392-V396 HydrophobicContact CD1-CG2 4.49Å
393T83.4Confident82.4Confident36 Ų3627.1 Ų27.122%0.22114%0.137CC..  trans-145.9157.5-178.456.50000109.8Q391 R395 V396Q391-T393 HydrophobicContact CG-CG2 4.17Å; Q391-T393 PolarHBondContact O-N 3.24Å; T393-R395 PolarHBondContact O-N 2.9Å; T393-V396 WeakPolarHBondContact O-CB 3.33Å; T393-V396 WeakPolarHBondContact O-CG2 3.36Å; T393-V396 PolarHBondContact O-N 3.14Å
394K88.3Confident83Confident63 Ų6326.2 Ų26.227%0.27413%0.132SC..Hα-helixtrans-50.4-29.7173.3-70.7179.2-177.6178.40112.9H327 E330 I332 V396 D397 V398H327-K394 HydrophobicContact CB-CD 3.96Å; H327-K394 HydrophobicContact CB-CG 4.45Å; H327-K394 PolarHBondContact CE1-O 2.85Å; H327-K394 VanDerWaalsContact CE1-O 3.25Å; H327-K394 VanDerWaalsContact O-CE 3.29Å; H327-K394 WeakPolarHBondContact O-CE 3.36Å; H327-K394 PolarHBondContact O-NZ 3.18Å; E330-K394 IonicContact OE1-NZ 2.67Å; E330-K394 PolarHBondContact OE1-NZ 3.25Å; E330-K394 WeakPolarHBondContact OE2-CE 3.38Å; E330-K394 IonicContact OE2-NZ 2.87Å; E330-K394 PolarHBondContact OE2-NZ 3.34Å; I332-K394 HydrophobicContact CG1-CG 4.05Å; K394-V396 PolarHBondContact O-N 2.89Å; K394-D397 PolarHBondContact O-N 2.91Å; K394-V398 WeakPolarHBondContact O-CG2 3.43Å; K394-V398 PolarHBondContact O-N 3.44Å
395R88.1Confident83.8Confident51 Ų5122.9 Ų22.919%0.19212%0.116CC..Hα-helixtrans-60.8-26.9178.5-175.958.8-17394.1-8.6113.9T393 F399 C481 L482 K484 R485T393-R395 PolarHBondContact O-N 2.9Å; R395-F399 PolarHBondContact O-N 3.19Å; R395-F399 VanDerWaalsContact O-N 3.08Å; R395-C481 PolarHBondContact NH1-O 3.21Å; R395-C481 PolarHBondContact NH2-O 2.98Å; R395-L482 PolarHBondContact NH2-O 2.73Å; R395-K484 PolarHBondContact NE-O 3.02Å; R395-K484 VanDerWaalsContact NE-O 3.09Å; R395-K484 PolarHBondContact NH2-O 3.1Å; R395-R485 WeakPolarHBondContact CD-O 3.33Å; R395-R485 PolarHBondContact NE-O 3.49Å
396V88.3Confident84.8Confident3 Ų319 Ų192%0.01810%0.096CC..Hα-helixtrans-63.2-56.1176.4-1790000109.6L382 F386 L392 T393 K394 V398 F399 S400L382-V396 HydrophobicContact CD2-CG1 3.65Å; F386-V396 HydrophobicContact CB-CG2 3.99Å; F386-V396 HydrophobicContact CD1-CG1 4.07Å; F386-V396 HydrophobicContact CD1-CG2 4.37Å; F386-V396 HydrophobicContact CD2-CG2 3.67Å; F386-V396 HydrophobicContact CE1-CG1 4.3Å; F386-V396 HydrophobicContact CE2-CG2 4.25Å; F386-V396 HydrophobicContact CG-CG1 4.26Å; F386-V396 HydrophobicContact CG-CG2 3.74Å; L392-V396 HydrophobicContact CD1-CG2 4.49Å; T393-V396 WeakPolarHBondContact O-CB 3.33Å; T393-V396 WeakPolarHBondContact O-CG2 3.36Å; T393-V396 PolarHBondContact O-N 3.14Å; K394-V396 PolarHBondContact O-N 2.89Å; V396-V398 PolarHBondContact O-N 3.48Å; V396-F399 WeakPolarHBondContact O-CB 3.49Å; V396-F399 PolarHBondContact O-N 2.76Å; V396-S400 PolarHBondContact O-N 3.48Å; V396-S400 PolarHBondContact O-OG 3.48Å
397D91.9Very high85.8Confident0 Ų018.5 Ų18.50%09%0.094CC..Hα-helixtrans-57.1-38.7178.8-58.5-24.5000111.9V323 H327 I332 H333 S334 V336 K394 F399 S400 C401V323-D397 HydrophobicContact CG1-CB 3.8Å; H327-D397 IonicContact CD2-OD2 2.71Å; H327-D397 IonicContact CE1-OD2 2.82Å; H327-D397 IonicContact NE2-OD2 2.68Å; H327-D397 PolarHBondContact NE2-OD2 3.36Å; I332-D397 WeakPolarHBondContact CG2-OD2 3.35Å; H333-D397 PolarHBondContact N-OD1 2.84Å; H333-D397 PolarHBondContact N-OD2 2.8Å; S334-D397 WeakPolarHBondContact CA-OD1 3.39Å; S334-D397 PolarHBondContact N-OD1 2.62Å; V336-D397 HydrophobicContact CG2-CB 4.19Å; K394-D397 PolarHBondContact O-N 2.91Å; D397-F399 VanDerWaalsContact C-N 3.34Å; D397-F399 PolarHBondContact O-N 3.34Å; D397-S400 PolarHBondContact O-N 2.85Å; D397-C401 PolarHBondContact O-N 2.92Å; D397-C401 PolarHBondContact O-SG 3.36Å
398V94.1Very high87Confident6 Ų617.1 Ų17.14%0.0369%0.086CC..Hα-helixtrans-68.4-31.3178.4-174.20000112.2K394 V396 G402 C481 I487 L489K394-V398 WeakPolarHBondContact O-CG2 3.43Å; K394-V398 PolarHBondContact O-N 3.44Å; V396-V398 PolarHBondContact O-N 3.48Å; V398-G402 PolarHBondContact O-N 3.47Å; V398-C481 VanDerWaalsContact O-CB 3.28Å; V398-C481 WeakPolarHBondContact O-CB 3.47Å; V398-C481 PolarHBondContact O-SG 3.03Å; V398-I487 HydrophobicContact CG1-CG2 3.76Å; V398-L489 HydrophobicContact CG1-CD1 4.25Å; V398-L489 HydrophobicContact CG2-CD1 4.24Å
399F93.6Very high88.7Confident6 Ų614.6 Ų14.63%0.0268%0.077CC..Hα-helixtrans-68-48.2171-173.6-89000110.5Y381 P383 R395 V396 D397 C401 G402 I403 K425 L482Y381-F399 WeakPolarHBondContact O-CD1 3.35Å; P383-F399 HydrophobicContact CB-CB 4.23Å; P383-F399 HydrophobicContact CB-CD1 3.98Å; P383-F399 HydrophobicContact CB-CD2 3.72Å; P383-F399 HydrophobicContact CB-CE1 4.21Å; P383-F399 HydrophobicContact CB-CE2 3.95Å; P383-F399 HydrophobicContact CB-CG 3.72Å; P383-F399 HydrophobicContact CB-CZ 4.18Å; P383-F399 HydrophobicContact CG-CB 4.03Å; P383-F399 HydrophobicContact CG-CD1 4.26Å; P383-F399 HydrophobicContact CG-CD2 4.45Å; P383-F399 HydrophobicContact CG-CG 4.01Å; R395-F399 PolarHBondContact O-N 3.19Å; R395-F399 VanDerWaalsContact O-N 3.08Å; V396-F399 WeakPolarHBondContact O-CB 3.49Å; V396-F399 PolarHBondContact O-N 2.76Å; D397-F399 VanDerWaalsContact C-N 3.34Å; D397-F399 PolarHBondContact O-N 3.34Å; F399-C401 VanDerWaalsContact C-N 3.29Å; F399-C401 PolarHBondContact O-N 3.28Å; F399-G402 WeakPolarHBondContact O-CA 3.43Å; F399-G402 PolarHBondContact O-N 2.84Å; F399-I403 HydrophobicContact CD1-CG1 4.28Å; F399-I403 HydrophobicContact CE1-CD1 4.28Å; F399-I403 HydrophobicContact CE1-CG1 4.05Å; F399-I403 PolarHBondContact O-N 3.26Å; F399-K425 HydrophobicContact CE1-CD 4.17Å; F399-K425 HydrophobicContact CZ-CB 4.4Å; F399-K425 HydrophobicContact CZ-CD 4.22Å; F399-L482 HydrophobicContact CD1-CD2 4.23Å; F399-L482 HydrophobicContact CD2-CB 4.5Å; F399-L482 HydrophobicContact CD2-CD2 3.88Å; F399-L482 HydrophobicContact CE1-CD2 4.11Å; F399-L482 HydrophobicContact CE2-CB 4.2Å; F399-L482 HydrophobicContact CE2-CD2 3.75Å; F399-L482 HydrophobicContact CG-CD2 4.14Å; F399-L482 HydrophobicContact CZ-CD2 3.88Å
400S94.4Very high90.1Very high1 Ų113 Ų131%0.0077%0.068CC..Hα-helixtrans-60.2-37178.4-53.70000112.7V336 Y381 V396 D397 G402 I403 V404V336-S400 WeakPolarHBondContact O-CB 3.45Å; Y381-S400 WeakPolarHBondContact O-CA 3.08Å; Y381-S400 WeakPolarHBondContact O-CB 3.41Å; Y381-S400 PolarHBondContact O-OG 3.29Å; V396-S400 PolarHBondContact O-N 3.48Å; V396-S400 PolarHBondContact O-OG 3.48Å; D397-S400 PolarHBondContact O-N 2.85Å; S400-G402 VanDerWaalsContact C-N 3.33Å; S400-G402 PolarHBondContact O-N 3.4Å; S400-I403 PolarHBondContact O-N 3.13Å; S400-V404 PolarHBondContact O-N 3Å; S400-V404 VanDerWaalsContact O-N 3.08Å
401C96.4Very high91.5Very high0 Ų013 Ų130%07%0.067CC..Hα-helixtrans-58.9-42.6169.7-68.70000111.7L320 D397 F399 I403 V404 L405L320-C401 HydrophobicContact CD2-CB 4.13Å; D397-C401 PolarHBondContact O-N 2.92Å; D397-C401 PolarHBondContact O-SG 3.36Å; F399-C401 VanDerWaalsContact C-N 3.29Å; F399-C401 PolarHBondContact O-N 3.28Å; C401-I403 VanDerWaalsContact C-N 3.27Å; C401-I403 PolarHBondContact O-N 3.13Å; C401-V404 PolarHBondContact O-N 2.7Å; C401-L405 WeakPolarHBondContact O-CB 3.33Å; C401-L405 WeakPolarHBondContact O-CD1 3.45Å; C401-L405 PolarHBondContact O-N 3.06Å
402G95.9Very high92.7Very high0 Ų011.7 Ų11.70%06%0.062CC..Hα-helixtrans-59.5-36.1176.200000113.5V398 F399 S400 A406V398-G402 PolarHBondContact O-N 3.47Å; F399-G402 WeakPolarHBondContact O-CA 3.43Å; F399-G402 PolarHBondContact O-N 2.84Å; S400-G402 VanDerWaalsContact C-N 3.33Å; S400-G402 PolarHBondContact O-N 3.4Å; G402-A406 WeakPolarHBondContact O-CB 3.47Å; G402-A406 PolarHBondContact O-N 3.44Å
403I96.3Very high93.6Very high0 Ų013.1 Ų13.10%07%0.071CC..Hα-helixtrans-68.9-46.5174.3-59.1-59.1000111.1Y381 F399 S400 C401 L405 A406 E407 A414 K425 L482Y381-I403 HydrophobicContact CD1-CB 3.96Å; Y381-I403 HydrophobicContact CD1-CG2 3.57Å; Y381-I403 HydrophobicContact CE1-CG2 3.81Å; Y381-I403 HydrophobicContact CG-CG2 4.33Å; F399-I403 HydrophobicContact CD1-CG1 4.28Å; F399-I403 HydrophobicContact CE1-CD1 4.28Å; F399-I403 HydrophobicContact CE1-CG1 4.05Å; F399-I403 PolarHBondContact O-N 3.26Å; S400-I403 PolarHBondContact O-N 3.13Å; C401-I403 VanDerWaalsContact C-N 3.27Å; C401-I403 PolarHBondContact O-N 3.13Å; I403-L405 VanDerWaalsContact C-N 3.34Å; I403-L405 PolarHBondContact O-N 3.23Å; I403-A406 CarbonylContact O-C 3.58Å; I403-A406 WeakPolarHBondContact O-CB 3.47Å; I403-A406 PolarHBondContact O-N 3.06Å; I403-E407 PolarHBondContact O-N 3.42Å; I403-A414 HydrophobicContact CG2-CB 3.77Å; I403-K425 HydrophobicContact CD1-CB 3.54Å; I403-L482 HydrophobicContact CD1-CD1 4.08Å; I403-L482 HydrophobicContact CD1-CD2 3.46Å; I403-L482 VanDerWaalsContact CD1-CD2 3.46Å; I403-L482 HydrophobicContact CD1-CG 4.42Å; I403-L482 HydrophobicContact CG1-CD2 3.86Å
404V97.5Very high94.1Very high0 Ų011.5 Ų11.50%06%0.061CC..Hα-helixtrans-63.7-39.3177.1-179.50000111.7L294 L319 V336 Y381 S400 C401 A406 E407 V408L294-V404 HydrophobicContact CD2-CG1 3.67Å; L319-V404 HydrophobicContact CD2-CB 3.88Å; L319-V404 HydrophobicContact CD2-CG1 3.65Å; L319-V404 HydrophobicContact CD2-CG2 4.48Å; V336-V404 HydrophobicContact CG1-CG2 4.43Å; Y381-V404 HydrophobicContact CD1-CG2 4.18Å; Y381-V404 HydrophobicContact CE1-CG2 3.94Å; S400-V404 PolarHBondContact O-N 3Å; S400-V404 VanDerWaalsContact O-N 3.08Å; C401-V404 PolarHBondContact O-N 2.7Å; V404-A406 VanDerWaalsContact C-N 3.27Å; V404-A406 PolarHBondContact O-N 3.11Å; V404-E407 PolarHBondContact O-N 3.02Å; V404-V408 VanDerWaalsContact O-CG2 3.31Å; V404-V408 WeakPolarHBondContact O-CG2 3.3Å; V404-V408 PolarHBondContact O-N 3.35Å
405L97.4Very high94.2Very high0 Ų012 Ų120%07%0.066CC..Hα-helixtrans-59.2-37.9171.9-9762.2000111.8C316 L320 C401 I403 V408 L409 L474 A477 A478 V492 V496C316-L405 HydrophobicContact CB-CD1 3.98Å; C316-L405 HydrophobicContact CB-CG 4.24Å; L320-L405 HydrophobicContact CD1-CD2 4.46Å; L320-L405 HydrophobicContact CD2-CD1 4.42Å; L320-L405 HydrophobicContact CG-CD1 4.46Å; C401-L405 WeakPolarHBondContact O-CB 3.33Å; C401-L405 WeakPolarHBondContact O-CD1 3.45Å; C401-L405 PolarHBondContact O-N 3.06Å; I403-L405 VanDerWaalsContact C-N 3.34Å; I403-L405 PolarHBondContact O-N 3.23Å; L405-V408 PolarHBondContact O-N 2.88Å; L405-L409 WeakPolarHBondContact O-CB 3.46Å; L405-L409 PolarHBondContact O-N 2.99Å; L405-L474 HydrophobicContact CD2-CD1 4.42Å; L405-L474 HydrophobicContact CG-CD1 4.32Å; L405-A477 HydrophobicContact CD2-CB 4.21Å; L405-A478 HydrophobicContact CB-CB 4.08Å; L405-V492 HydrophobicContact CD2-CG1 4.21Å; L405-V496 HydrophobicContact CD2-CG2 4.18Å
406A96.3Very high94.3Very high2 Ų212 Ų122%0.0177%0.069CC..Hα-helixtrans-74.7-36.7177.100000113.3G402 I403 V404 V408 L409 T410 L424 L428 A478G402-A406 WeakPolarHBondContact O-CB 3.47Å; G402-A406 PolarHBondContact O-N 3.44Å; I403-A406 CarbonylContact O-C 3.58Å; I403-A406 WeakPolarHBondContact O-CB 3.47Å; I403-A406 PolarHBondContact O-N 3.06Å; V404-A406 VanDerWaalsContact C-N 3.27Å; V404-A406 PolarHBondContact O-N 3.11Å; A406-V408 VanDerWaalsContact C-N 3.3Å; A406-V408 PolarHBondContact O-N 3.29Å; A406-L409 PolarHBondContact O-N 3.37Å; A406-T410 WeakPolarHBondContact O-CB 3.44Å; A406-T410 WeakPolarHBondContact O-CG2 3.23Å; A406-T410 PolarHBondContact O-N 3.29Å; A406-T410 PolarHBondContact O-OG1 3.45Å; A406-L424 HydrophobicContact CB-CD2 4.02Å; A406-L428 HydrophobicContact CB-CD1 3.54Å; A406-A478 HydrophobicContact CB-CB 4.46Å
407E97.1Very high94.2Very high4 Ų417.8 Ų17.82%0.01910%0.1CC..Hα-helixtrans-59.2-43.7169.3-67.5-171.5119.200110.4L298 S338 Y381 I403 V404 T410 G411 A414 L424L298-E407 HydrophobicContact CD1-CB 4Å; S338-E407 WeakPolarHBondContact CB-OE2 3.36Å; S338-E407 PolarHBondContact OG-OE2 3.06Å; Y381-E407 WeakPolarHBondContact CE1-OE2 3.18Å; Y381-E407 PolarHBondContact OH-OE1 3.12Å; Y381-E407 PolarHBondContact OH-OE2 2.84Å; Y381-E407 VanDerWaalsContact OH-OE2 3.13Å; I403-E407 PolarHBondContact O-N 3.42Å; V404-E407 PolarHBondContact O-N 3.02Å; E407-T410 PolarHBondContact O-N 2.78Å; E407-G411 WeakPolarHBondContact O-CA 3.29Å; E407-G411 PolarHBondContact O-N 3.13Å; E407-A414 HydrophobicContact CG-CB 4.26Å; E407-A414 VanDerWaalsContact OE1-CB 3.31Å; E407-A414 WeakPolarHBondContact OE1-CB 3.29Å; E407-A414 PolarHBondContact OE1-N 2.95Å; E407-L424 HydrophobicContact CG-CD2 3.9Å
408V97.1Very high94Very high0 Ų025.1 Ų25.10%014%0.14CC..Hα-helixtrans-66.2-38.5177.4172.90000112.5L294 L298 R312 V404 L405 A406L294-V408 HydrophobicContact CD1-CG2 4.21Å; L294-V408 HydrophobicContact CD2-CG2 3.8Å; L294-V408 HydrophobicContact CG-CG2 4.35Å; L298-V408 HydrophobicContact CD1-CG2 4.03Å; R312-V408 HydrophobicContact CB-CG1 3.54Å; R312-V408 WeakPolarHBondContact CD-O 3.32Å; R312-V408 HydrophobicContact CG-CG1 3.92Å; R312-V408 PolarHBondContact NH1-O 2.96Å; V404-V408 VanDerWaalsContact O-CG2 3.31Å; V404-V408 WeakPolarHBondContact O-CG2 3.3Å; V404-V408 PolarHBondContact O-N 3.35Å; L405-V408 PolarHBondContact O-N 2.88Å; A406-V408 VanDerWaalsContact C-N 3.3Å; A406-V408 PolarHBondContact O-N 3.29Å
409L95.5Very high93.8Very high2 Ų226.6 Ų26.61%0.0114%0.144CC..Hα-helixtrans-69.8-34.8177.118071.7000113W309 L405 A406 I454 L459 E460 L474 A475W309-L409 HydrophobicContact CH2-CD1 4.41Å; W309-L409 WeakPolarHBondContact CH2-O 3.24Å; L405-L409 WeakPolarHBondContact O-CB 3.46Å; L405-L409 PolarHBondContact O-N 2.99Å; A406-L409 PolarHBondContact O-N 3.37Å; L409-I454 HydrophobicContact CD2-CG2 3.71Å; L409-L459 HydrophobicContact CD1-CD1 3.61Å; L409-L459 HydrophobicContact CG-CD1 4.3Å; L409-E460 PolarHBondContact O-N 3.34Å; L409-E460 VanDerWaalsContact O-N 3.1Å; L409-L474 HydrophobicContact CB-CD2 4.48Å; L409-L474 HydrophobicContact CD1-CB 4.4Å; L409-L474 HydrophobicContact CD1-CD2 3.97Å; L409-L474 HydrophobicContact CD1-CG 4.24Å; L409-A475 HydrophobicContact CD2-CB 3.62Å
410T94.5Very high93.4Very high8 Ų832 Ų325%0.04918%0.183CC..Hα-helixtrans-109.7-20.5-16864.60000114.8A406 E407 I412 I454 Y458A406-T410 WeakPolarHBondContact O-CB 3.44Å; A406-T410 WeakPolarHBondContact O-CG2 3.23Å; A406-T410 PolarHBondContact O-N 3.29Å; A406-T410 PolarHBondContact O-OG1 3.45Å; E407-T410 PolarHBondContact O-N 2.78Å; T410-I412 PolarHBondContact O-N 2.79Å; T410-I412 PolarHBondContact OG1-N 2.93Å; T410-I454 HydrophobicContact CG2-CG2 4.19Å; T410-Y458 WeakPolarHBondContact CA-O 3.35Å; T410-Y458 WeakPolarHBondContact CB-O 3.23Å; T410-Y458 WeakPolarHBondContact CG2-O 3.39Å
411G93.5Very high93.1Very high19 Ų1933.7 Ų33.720%0.19619%0.194CC..  trans71.5-7.7-167.600000113.8E407E407-G411 WeakPolarHBondContact O-CA 3.29Å; E407-G411 PolarHBondContact O-N 3.13Å
412I93.4Very high92.7Very high42 Ų4236 Ų3622%0.21521%0.208CC..  trans-84.2130.4-175-48.5170.7000109.2T410 L424 Y458T410-I412 PolarHBondContact O-N 2.79Å; T410-I412 PolarHBondContact OG1-N 2.93Å; I412-L424 HydrophobicContact CB-CD1 4.35Å; I412-L424 HydrophobicContact CG2-CD1 4.5Å; I412-Y458 HydrophobicContact CD1-CD1 3.8Å; I412-Y458 HydrophobicContact CD1-CG 4.09Å
413P93.6Very high92.5Very high33 Ų3338.8 Ų38.821%0.21422%0.219CC..  trans-67.2150.6-179.527-35.6000113.5M415 D416 R419P413-M415 PolarHBondContact O-N 3.39Å; P413-M415 VanDerWaalsContact O-N 3.11Å; P413-D416 HydrophobicContact CG-CB 4.33Å; P413-R419 PolarHBondContact O-NH2 3Å; P413-R419 VanDerWaalsContact O-NH2 3.08Å
414A93.3Very high92.3Very high2 Ų238.8 Ų38.82%0.01722%0.219CC..SBendtrans-56.4-27.1177.300000113.5A380 Y381 I403 E407 Y423 L424A380-A414 HydrophobicContact CB-CB 3.88Å; Y381-A414 HydrophobicContact CD1-CB 4.44Å; Y381-A414 HydrophobicContact CD2-CB 4.41Å; Y381-A414 HydrophobicContact CE1-CB 3.81Å; Y381-A414 HydrophobicContact CE2-CB 3.77Å; Y381-A414 VanDerWaalsContact CZ-CB 3.44Å; I403-A414 HydrophobicContact CG2-CB 3.77Å; E407-A414 HydrophobicContact CG-CB 4.26Å; E407-A414 VanDerWaalsContact OE1-CB 3.31Å; E407-A414 WeakPolarHBondContact OE1-CB 3.29Å; E407-A414 PolarHBondContact OE1-N 2.95Å; A414-Y423 CarbonylContact O-C 3.58Å; A414-Y423 WeakPolarHBondContact O-CA 3.5Å; A414-L424 PolarHBondContact O-N 3.12Å
415M90.6Very high91.9Very high73 Ų7339 Ų3936%0.3622%0.22SC..BIsolated β-bridgetrans-139.1131.2176.1-175.8175.7-179.200110.2A380 P413 N417 V422 Y423A380-M415 HydrophobicContact CB-CB 4.1Å; P413-M415 PolarHBondContact O-N 3.39Å; P413-M415 VanDerWaalsContact O-N 3.11Å; M415-N417 WeakPolarHBondContact CE-OD1 3.47Å; M415-V422 HydrophobicContact CE-CG1 4.19Å; M415-V422 HydrophobicContact CG-CG1 3.92Å; M415-Y423 HydrophobicContact CB-CD1 4.14Å; M415-Y423 HydrophobicContact CB-CE1 4.39Å; M415-Y423 HydrophobicContact CE-CE1 4.13Å; M415-Y423 HydrophobicContact CG-CD1 4.01Å; M415-Y423 HydrophobicContact CG-CE1 3.87Å; M415-Y423 HydrophobicContact SD-CD1 4.46Å; M415-Y423 HydrophobicContact SD-CE1 3.79Å
416D89.4Confident91.6Very high50 Ų5041.9 Ų41.927%0.26724%0.235SC..  trans-143.7119170.7175.713.4000109.2P413 N418 R419 V422P413-D416 HydrophobicContact CG-CB 4.33Å; D416-N418 PolarHBondContact O-N 2.97Å; D416-N418 WeakPolarHBondContact OD1-CB 3.41Å; D416-N418 PolarHBondContact OD1-N 3.25Å; D416-N418 PolarHBondContact OD1-ND2 3.31Å; D416-R419 HydrophobicContact CB-CB 4.03Å; D416-R419 PolarHBondContact O-N 2.99Å; D416-V422 PolarHBondContact N-O 3.11Å; D416-V422 WeakPolarHBondContact O-CA 3.42Å
417N86.3Confident91.2Very high126 Ų12642.4 Ų42.467%0.67424%0.238SC*.THydrogen-bonded Turntrans-69.9-15.7-179.4-67.9-25.9000113.3M415M415-N417 WeakPolarHBondContact CE-OD1 3.47Å
418N88.5Confident90.8Very high154 Ų15442.4 Ų42.482%0.82424%0.238SC*.THydrogen-bonded Turntrans-92.1-8.7179.6-48.3-75.4000112.4D416D416-N418 PolarHBondContact O-N 2.97Å; D416-N418 WeakPolarHBondContact OD1-CB 3.41Å; D416-N418 PolarHBondContact OD1-N 3.25Å; D416-N418 PolarHBondContact OD1-ND2 3.31Å
419R88.9Confident90Very high36 Ų3644.9 Ų44.914%0.13625%0.25CS..SBendtrans-97.1144.3179-173.8-176.957.1-159.1-26.6110.8P413 D416 P421 V422P413-R419 PolarHBondContact O-NH2 3Å; P413-R419 VanDerWaalsContact O-NH2 3.08Å; D416-R419 HydrophobicContact CB-CB 4.03Å; D416-R419 PolarHBondContact O-N 2.99Å; R419-P421 VanDerWaalsContact CG-O 3.3Å; R419-P421 WeakPolarHBondContact CG-O 3.3Å; R419-P421 PolarHBondContact NE-O 3.2Å; R419-P421 CarbonylContact O-C 3.53Å; R419-P421 VanDerWaalsContact O-C 3.32Å; R419-V422 PolarHBondContact NH2-O 2.93Å; R419-V422 WeakPolarHBondContact O-CA 3.4Å; R419-V422 PolarHBondContact O-N 2.86Å
420S85.1Confident89.3Confident119 Ų11948.3 Ų48.383%0.83228%0.275SS*.SBendtrans-113.6122.3161.9-170.90000109.5
421P87.6Confident88.2Confident38 Ų3849.5 Ų49.525%0.24728%0.28CS..SBendcis-69.3156.1-8.931.4-36.5000113R419 Y423 D426 L427R419-P421 VanDerWaalsContact CG-O 3.3Å; R419-P421 WeakPolarHBondContact CG-O 3.3Å; R419-P421 PolarHBondContact NE-O 3.2Å; R419-P421 CarbonylContact O-C 3.53Å; R419-P421 VanDerWaalsContact O-C 3.32Å; P421-Y423 PolarHBondContact O-N 2.91Å; P421-D426 HydrophobicContact CB-CB 3.79Å; P421-D426 HydrophobicContact CG-CB 3.84Å; P421-L427 HydrophobicContact CG-CB 3.98Å; P421-L427 HydrophobicContact CG-CD1 4.4Å
422V89.1Confident86.9Confident47 Ų4751.7 Ų51.729%0.28529%0.286SS..SBendtrans-64.2-38.4-176168.20000112.5M415 D416 R419M415-V422 HydrophobicContact CE-CG1 4.19Å; M415-V422 HydrophobicContact CG-CG1 3.92Å; D416-V422 PolarHBondContact N-O 3.11Å; D416-V422 WeakPolarHBondContact O-CA 3.42Å; R419-V422 PolarHBondContact NH2-O 2.93Å; R419-V422 WeakPolarHBondContact O-CA 3.4Å; R419-V422 PolarHBondContact O-N 2.86Å
423Y91.3Very high85.1Confident59 Ų5952.2 Ų52.223%0.23129%0.293CS..BIsolated β-bridgetrans-97.2140.9-176.9-53.6-71000112.6V379 A380 A414 M415 P421 K425 D426 L427V379-Y423 HydrophobicContact CG1-CE1 4.12Å; V379-Y423 HydrophobicContact CG1-CE2 4.26Å; A380-Y423 HydrophobicContact CB-CD1 3.71Å; A380-Y423 HydrophobicContact CB-CE1 4.2Å; A414-Y423 CarbonylContact O-C 3.58Å; A414-Y423 WeakPolarHBondContact O-CA 3.5Å; M415-Y423 HydrophobicContact CB-CD1 4.14Å; M415-Y423 HydrophobicContact CB-CE1 4.39Å; M415-Y423 HydrophobicContact CE-CE1 4.13Å; M415-Y423 HydrophobicContact CG-CD1 4.01Å; M415-Y423 HydrophobicContact CG-CE1 3.87Å; M415-Y423 HydrophobicContact SD-CD1 4.46Å; M415-Y423 HydrophobicContact SD-CE1 3.79Å; P421-Y423 PolarHBondContact O-N 2.91Å; Y423-K425 VanDerWaalsContact C-N 3.3Å; Y423-K425 PolarHBondContact O-N 3.22Å; Y423-D426 WeakPolarHBondContact CD2-OD2 3.36Å; Y423-D426 PolarHBondContact O-N 3.48Å; Y423-L427 PolarHBondContact O-N 3.03Å
424L92.2Very high82.8Confident0 Ų056.7 Ų56.70%032%0.324CS..Hα-helixtrans-62.4-37.9178.9-179.762.2000111.5A406 E407 I412 A414 D426 L427 L428A406-L424 HydrophobicContact CB-CD2 4.02Å; E407-L424 HydrophobicContact CG-CD2 3.9Å; I412-L424 HydrophobicContact CB-CD1 4.35Å; I412-L424 HydrophobicContact CG2-CD1 4.5Å; A414-L424 PolarHBondContact O-N 3.12Å; L424-D426 PolarHBondContact O-N 3.04Å; L424-L427 HydrophobicContact CD1-CD2 4.22Å; L424-L427 WeakPolarHBondContact O-CB 3.41Å; L424-L427 PolarHBondContact O-N 3.45Å; L424-L428 HydrophobicContact CD1-CD1 4.2Å; L424-L428 HydrophobicContact CD1-CD2 4.36Å; L424-L428 HydrophobicContact CD1-CG 4.1Å; L424-L428 HydrophobicContact CD2-CD1 4.47Å; L424-L428 HydrophobicContact CG-CD1 3.86Å; L424-L428 HydrophobicContact CG-CG 4.22Å; L424-L428 VanDerWaalsContact O-CG 3.26Å; L424-L428 WeakPolarHBondContact O-CG 3.48Å; L424-L428 PolarHBondContact O-N 3.44Å
425K90.4Very high80.5Confident6 Ų661.8 Ų61.83%0.02636%0.36CS..Hα-helixtrans-55.4-41175.964.7178.7-178.8166.50112.4V379 L382 E384 F399 I403 Y423 L429V379-K425 WeakPolarHBondContact O-CE 3.26Å; V379-K425 PolarHBondContact O-NZ 2.76Å; L382-K425 PolarHBondContact O-NZ 3.07Å; E384-K425 WeakPolarHBondContact OE1-CE 3.49Å; E384-K425 IonicContact OE1-NZ 2.79Å; E384-K425 PolarHBondContact OE1-NZ 3.42Å; F399-K425 HydrophobicContact CE1-CD 4.17Å; F399-K425 HydrophobicContact CZ-CB 4.4Å; F399-K425 HydrophobicContact CZ-CD 4.22Å; I403-K425 HydrophobicContact CD1-CB 3.54Å; Y423-K425 VanDerWaalsContact C-N 3.3Å; Y423-K425 PolarHBondContact O-N 3.22Å; K425-L429 WeakPolarHBondContact O-CB 3.37Å; K425-L429 WeakPolarHBondContact O-CD1 3.46Å; K425-L429 WeakPolarHBondContact O-CG 3.33Å; K425-L429 PolarHBondContact O-N 2.87Å
426D89.3Confident78.3Confident59 Ų5962.1 Ų62.132%0.31637%0.366SS..Hα-helixtrans-74.4-36.3-178.6-59-27.8000110.8P421 Y423 L424 L429 S430P421-D426 HydrophobicContact CB-CB 3.79Å; P421-D426 HydrophobicContact CG-CB 3.84Å; Y423-D426 WeakPolarHBondContact CD2-OD2 3.36Å; Y423-D426 PolarHBondContact O-N 3.48Å; L424-D426 PolarHBondContact O-N 3.04Å; D426-L429 PolarHBondContact O-N 2.64Å; D426-S430 WeakPolarHBondContact O-CB 3.34Å; D426-S430 PolarHBondContact O-N 3.11Å
427L89.6Confident75.7Confident14 Ų1465 Ų657%0.07340%0.397CS..Hα-helixtrans-59.8-51.8173.4-175.872.1000110.6P421 Y423 L424 L429 S430 E431 Y458P421-L427 HydrophobicContact CG-CB 3.98Å; P421-L427 HydrophobicContact CG-CD1 4.4Å; Y423-L427 PolarHBondContact O-N 3.03Å; L424-L427 HydrophobicContact CD1-CD2 4.22Å; L424-L427 WeakPolarHBondContact O-CB 3.41Å; L424-L427 PolarHBondContact O-N 3.45Å; L427-L429 VanDerWaalsContact C-N 3.28Å; L427-L429 PolarHBondContact O-N 3.3Å; L427-S430 PolarHBondContact O-N 2.99Å; L427-S430 VanDerWaalsContact O-N 3.11Å; L427-S430 PolarHBondContact O-OG 3.24Å; L427-E431 PolarHBondContact O-N 2.89Å; L427-Y458 HydrophobicContact CD2-CE1 4.15Å; L427-Y458 HydrophobicContact CD2-CE2 4.23Å; L427-Y458 HydrophobicContact CG-CE2 4.29Å
428L86.9Confident73.8Confident4 Ų464.1 Ų64.12%0.02140%0.401CS..Hα-helixtrans-65.3-30.8-179.9-59.3170000112.5A406 L424 M450 I454 L482A406-L428 HydrophobicContact CB-CD1 3.54Å; L424-L428 HydrophobicContact CD1-CD1 4.2Å; L424-L428 HydrophobicContact CD1-CD2 4.36Å; L424-L428 HydrophobicContact CD1-CG 4.1Å; L424-L428 HydrophobicContact CD2-CD1 4.47Å; L424-L428 HydrophobicContact CG-CD1 3.86Å; L424-L428 HydrophobicContact CG-CG 4.22Å; L424-L428 VanDerWaalsContact O-CG 3.26Å; L424-L428 WeakPolarHBondContact O-CG 3.48Å; L424-L428 PolarHBondContact O-N 3.44Å; L428-M450 VanDerWaalsContact O-CE 3.31Å; L428-M450 WeakPolarHBondContact O-CE 3.49Å; L428-I454 HydrophobicContact CD2-CD1 3.73Å; L428-I454 HydrophobicContact CD2-CG1 3.74Å; L428-I454 HydrophobicContact CD2-CG2 4.15Å; L428-L482 HydrophobicContact CD1-CD1 4.04Å
429L81.9Confident71.4Confident51 Ų5164.1 Ų64.127%0.26740%0.4SS..Hα-helixtrans-81.5-20.4174.2-70.1171.5000113.5K425 D426 L427 E431 I432 R483K425-L429 WeakPolarHBondContact O-CB 3.37Å; K425-L429 WeakPolarHBondContact O-CD1 3.46Å; K425-L429 WeakPolarHBondContact O-CG 3.33Å; K425-L429 PolarHBondContact O-N 2.87Å; D426-L429 PolarHBondContact O-N 2.64Å; L427-L429 VanDerWaalsContact C-N 3.28Å; L427-L429 PolarHBondContact O-N 3.3Å; L429-E431 VanDerWaalsContact C-N 3.33Å; L429-I432 WeakPolarHBondContact O-CD1 3.46Å; L429-I432 VanDerWaalsContact O-CG1 3.26Å; L429-I432 WeakPolarHBondContact O-CG1 3.29Å; L429-R483 HydrophobicContact CD2-CG 4.38Å
430S79.8Confident68.9Low74 Ų7468.5 Ų68.552%0.51743%0.434SS..Hα-helixtrans-74.7-24.3172.973.70000112.8D426 L427 I432D426-S430 WeakPolarHBondContact O-CB 3.34Å; D426-S430 PolarHBondContact O-N 3.11Å; L427-S430 PolarHBondContact O-N 2.99Å; L427-S430 VanDerWaalsContact O-N 3.11Å; L427-S430 PolarHBondContact O-OG 3.24Å; S430-I432 PolarHBondContact O-N 3.49Å
431E72.7Confident66.7Low34 Ų3467.9 Ų67.916%0.15943%0.43CS..THydrogen-bonded Turntrans-77.527.4174.8-72.4-67.9-179.600114L427 L429 P433 K457 Y458L427-E431 PolarHBondContact O-N 2.89Å; L429-E431 VanDerWaalsContact C-N 3.33Å; E431-P433 WeakPolarHBondContact O-CD 3.28Å; E431-K457 WeakPolarHBondContact OE1-CD 3.18Å; E431-K457 IonicContact OE1-NZ 3.16Å; E431-K457 PolarHBondContact OE1-NZ 3.11Å; E431-K457 IonicContact OE2-NZ 3.83Å; E431-K457 PolarHBondContact OE2-NZ 3.23Å; E431-Y458 HydrophobicContact CG-CE2 4.08Å; E431-Y458 PolarHBondContact OE1-OH 3.17Å
432I65.2Low64.9Low64 Ų6476.4 Ų76.433%0.32846%0.457SS..SBendtrans-85.8120.4166.6-63.3166.8000107.6L429 S430 S434 M450 R483L429-I432 WeakPolarHBondContact O-CD1 3.46Å; L429-I432 VanDerWaalsContact O-CG1 3.26Å; L429-I432 WeakPolarHBondContact O-CG1 3.29Å; S430-I432 PolarHBondContact O-N 3.49Å; I432-S434 PolarHBondContact O-N 3.48Å; I432-S434 VanDerWaalsContact O-N 3.11Å; I432-M450 HydrophobicContact CD1-CE 4.12Å; I432-M450 HydrophobicContact CG1-CE 3.33Å; I432-R483 VanDerWaalsContact CD1-NH1 3.27Å
433P56.4Low63.2Low54 Ų5483.2 Ų83.235%0.35148%0.483SS..  trans-63.3117.2173.6-21.933.8000110.8E431 S435 V449E431-P433 WeakPolarHBondContact O-CD 3.28Å; P433-S435 PolarHBondContact O-N 3.49Å; P433-V449 HydrophobicContact CG-CG1 3.99Å
434S45.6Very low61.5Low126 Ų12684.4 Ų84.488%0.88150%0.497SS*.SBendtrans-61.4-6.8174-55.60000114I432I432-S434 PolarHBondContact O-N 3.48Å; I432-S434 VanDerWaalsContact O-N 3.11Å
435S44.1Very low60.3Low110 Ų11086.1 Ų86.177%0.76952%0.515SS*.  trans-116.649.7-169.5-56.10000113.6P433P433-S435 PolarHBondContact O-N 3.49Å
436T43.6Very low59.5Low80 Ų8088.3 Ų88.349%0.49153%0.529SS..  trans-119.855166.4650000112.4S438T436-S438 PolarHBondContact O-N 2.95Å
437A36.5Very low59Low110 Ų11086.3 Ų86.391%0.90952%0.517SS*.SBendtrans-74.5-1.6176.700000114.5
438S44.5Very low58.5Low107 Ų10789.5 Ų89.575%0.74853%0.534SS*.SBendtrans-123.6-6-167.7550000116.2T436T436-S438 PolarHBondContact O-N 2.95Å
439L39.3Very low58.2Low154 Ų15492.7 Ų92.781%0.80655%0.554SS**  trans-103.683.2178.2-79173.9000111.8
440C35.2Very low58.2Low128 Ų12890.4 Ų90.487%0.86554%0.542SS*.  trans-75.4148.5172.8-156.80000111.4
441S40.3Very low58.5Low106 Ų10686.9 Ų86.974%0.74152%0.517SS*.SBendtrans62.772.9171.5-157.40000118.3
442R48.9Very low59.2Low217 Ų21790.5 Ų90.582%0.81953%0.532SS*.  trans-175.9118.8131.4-97.5154.2-159.7-174.27.2109.6T444 G445R442-T444 VanDerWaalsContact C-N 3.34Å; R442-T444 PolarHBondContact O-N 3.37Å; R442-G445 PolarHBondContact O-N 3.13Å; R442-G445 VanDerWaalsContact O-N 3.13Å
443K53.8Low60.2Low190 Ų19089.9 Ų89.983%0.82653%0.528SS*.THydrogen-bonded Turntrans-54.4-49.9-177.4-73.3177.9177.9171.90111.7G445 V446K443-G445 PolarHBondContact O-N 3.39Å; K443-V446 PolarHBondContact O-N 2.84Å
444T55.8Low61.8Low84 Ų8487.5 Ų87.552%0.51551%0.513SS..THydrogen-bonded Turntrans-54.7-13.1178.9-28.80000115.7R442 E447 N448R442-T444 VanDerWaalsContact C-N 3.34Å; R442-T444 PolarHBondContact O-N 3.37Å; T444-E447 VanDerWaalsContact CA-OE2 3.23Å; T444-E447 WeakPolarHBondContact CA-OE2 3.4Å; T444-N448 PolarHBondContact O-ND2 3.25Å; T444-N448 VanDerWaalsContact O-ND2 3.16Å
445G66.4Low63.8Low37 Ų3782.3 Ų82.338%0.38148%0.476SS..Hα-helixtrans-68.2-35.7177.400000112.7R442 K443 V449R442-G445 PolarHBondContact O-N 3.13Å; R442-G445 VanDerWaalsContact O-N 3.13Å; K443-G445 PolarHBondContact O-N 3.39Å; G445-V449 WeakPolarHBondContact O-CG2 3.08Å; G445-V449 PolarHBondContact O-N 3.21Å
446V74.3Confident65.9Low52 Ų5283.7 Ų83.732%0.31547%0.47SS..Hα-helixtrans-76.5-40.1-171.9-175.90000111.6K443 N448 V449 M450K443-V446 PolarHBondContact O-N 2.84Å; V446-N448 VanDerWaalsContact C-N 3.29Å; V446-N448 PolarHBondContact O-N 2.98Å; V446-V449 PolarHBondContact O-N 2.86Å; V446-M450 WeakPolarHBondContact O-CB 3.29Å; V446-M450 PolarHBondContact O-N 3.14Å; V446-M450 VanDerWaalsContact O-N 3.07Å
447E77.8Confident68Low16 Ų1684.2 Ų84.28%0.07547%0.466CS..Hα-helixtrans-62-37.2176.1-64.678.6-168.600111.7T444 A451 T476 C479 L480 R483T444-E447 VanDerWaalsContact CA-OE2 3.23Å; T444-E447 WeakPolarHBondContact CA-OE2 3.4Å; E447-A451 WeakPolarHBondContact O-CB 3.41Å; E447-A451 PolarHBondContact O-N 3.36Å; E447-T476 HydrophobicContact CB-CG2 4.47Å; E447-C479 HydrophobicContact CB-CB 3.88Å; E447-C479 HydrophobicContact CG-CB 4.06Å; E447-L480 HydrophobicContact CG-CD2 4.09Å; E447-L480 HydrophobicContact CG-CG 4.39Å; E447-R483 IonicContact OE1-NE 2.77Å
448N78.6Confident70.6Confident82 Ų8281.7 Ų81.744%0.43943%0.433SS..Hα-helixtrans-72.2-32.4179.7-73.3-28.8000113.5T444 V446 K452 T476T444-N448 PolarHBondContact O-ND2 3.25Å; T444-N448 VanDerWaalsContact O-ND2 3.16Å; V446-N448 VanDerWaalsContact C-N 3.29Å; V446-N448 PolarHBondContact O-N 2.98Å; N448-K452 PolarHBondContact O-N 3.3Å; N448-T476 WeakPolarHBondContact OD1-CG2 3.45Å; N448-T476 PolarHBondContact OD1-OG1 3.44Å
449V81.8Confident72.9Confident71 Ų7178.5 Ų78.543%0.4341%0.407SS..Hα-helixtrans-69.2-48.5172.7173.50000110.2P433 G445 V446 A451 K452 E453P433-V449 HydrophobicContact CG-CG1 3.99Å; G445-V449 WeakPolarHBondContact O-CG2 3.08Å; G445-V449 PolarHBondContact O-N 3.21Å; V446-V449 PolarHBondContact O-N 2.86Å; V449-A451 VanDerWaalsContact C-N 3.32Å; V449-A451 PolarHBondContact O-N 3.12Å; V449-K452 PolarHBondContact O-N 2.98Å; V449-K452 VanDerWaalsContact O-N 3.16Å; V449-E453 PolarHBondContact O-N 2.85Å; V449-E453 VanDerWaalsContact O-N 3.14Å
450M82.6Confident75.3Confident3 Ų373.4 Ų73.42%0.01538%0.379CS..Hα-helixtrans-56.8-45.2174.9176.2-179.1-7900111.6L428 I432 V446 K452 E453 I454 C479L428-M450 VanDerWaalsContact O-CE 3.31Å; L428-M450 WeakPolarHBondContact O-CE 3.49Å; I432-M450 HydrophobicContact CD1-CE 4.12Å; I432-M450 HydrophobicContact CG1-CE 3.33Å; V446-M450 WeakPolarHBondContact O-CB 3.29Å; V446-M450 PolarHBondContact O-N 3.14Å; V446-M450 VanDerWaalsContact O-N 3.07Å; M450-K452 VanDerWaalsContact C-N 3.32Å; M450-K452 PolarHBondContact O-N 3.04Å; M450-E453 PolarHBondContact O-N 3.37Å; M450-I454 HydrophobicContact CG-CD1 3.66Å; M450-I454 HydrophobicContact CG-CG1 4.43Å; M450-I454 WeakPolarHBondContact O-CD1 3.35Å; M450-I454 VanDerWaalsContact O-CG1 3.24Å; M450-I454 WeakPolarHBondContact O-CG1 3.23Å; M450-I454 PolarHBondContact O-N 3Å; M450-C479 VanDerWaalsContact CG-SG 3.59Å; M450-C479 HydrophobicContact SD-CB 4.17Å
451A85.9Confident77.8Confident0 Ų076 Ų760%038%0.376CS..Hα-helixtrans-57.4-42.1176.500000112.5E447 V449 I454 C455 A475 T476E447-A451 WeakPolarHBondContact O-CB 3.41Å; E447-A451 PolarHBondContact O-N 3.36Å; V449-A451 VanDerWaalsContact C-N 3.32Å; V449-A451 PolarHBondContact O-N 3.12Å; A451-I454 PolarHBondContact O-N 3.39Å; A451-C455 WeakPolarHBondContact O-CB 3.42Å; A451-C455 PolarHBondContact O-N 2.87Å; A451-C455 PolarHBondContact O-SG 2.75Å; A451-A475 HydrophobicContact CB-CB 3.66Å; A451-T476 VanDerWaalsContact CB-OG1 3.26Å; A451-T476 WeakPolarHBondContact CB-OG1 3.33Å
452K86.1Confident79.8Confident109 Ų10973.1 Ų73.147%0.47436%0.363SS..Hα-helixtrans-63.8-46.9177-170.1-170.3174.1-167.10112N448 V449 M450 I454 C455 Q456N448-K452 PolarHBondContact O-N 3.3Å; V449-K452 PolarHBondContact O-N 2.98Å; V449-K452 VanDerWaalsContact O-N 3.16Å; M450-K452 VanDerWaalsContact C-N 3.32Å; M450-K452 PolarHBondContact O-N 3.04Å; K452-I454 PolarHBondContact O-N 2.96Å; K452-C455 PolarHBondContact O-N 2.88Å; K452-Q456 WeakPolarHBondContact O-CB 3.47Å; K452-Q456 PolarHBondContact O-N 3.15Å
453E87.4Confident81.4Confident51 Ų5163.2 Ų63.224%0.23833%0.328CS..Hα-helixtrans-61.1-43.3177.7-69.3-60.8131.500111.5V449 M450 C455 Q456 K457V449-E453 PolarHBondContact O-N 2.85Å; V449-E453 VanDerWaalsContact O-N 3.14Å; M450-E453 PolarHBondContact O-N 3.37Å; E453-C455 PolarHBondContact O-N 3.47Å; E453-Q456 PolarHBondContact O-N 3.3Å; E453-K457 WeakPolarHBondContact O-CB 3.12Å; E453-K457 WeakPolarHBondContact O-CG 3.48Å; E453-K457 PolarHBondContact O-N 2.96Å; E453-K457 WeakPolarHBondContact OE2-CE 3.38Å; E453-K457 IonicContact OE2-NZ 2.78Å; E453-K457 PolarHBondContact OE2-NZ 2.83Å; E453-K457 VanDerWaalsContact OE2-NZ 3.16Å
454I88.6Confident82.9Confident5 Ų556.4 Ų56.43%0.02631%0.311CS..Hα-helixtrans-60-46.6175.4-65.8161.8000110.8L409 T410 L428 M450 A451 K452 Q456 K457 Y458 L459L409-I454 HydrophobicContact CD2-CG2 3.71Å; T410-I454 HydrophobicContact CG2-CG2 4.19Å; L428-I454 HydrophobicContact CD2-CD1 3.73Å; L428-I454 HydrophobicContact CD2-CG1 3.74Å; L428-I454 HydrophobicContact CD2-CG2 4.15Å; M450-I454 HydrophobicContact CG-CD1 3.66Å; M450-I454 HydrophobicContact CG-CG1 4.43Å; M450-I454 WeakPolarHBondContact O-CD1 3.35Å; M450-I454 VanDerWaalsContact O-CG1 3.24Å; M450-I454 WeakPolarHBondContact O-CG1 3.23Å; M450-I454 PolarHBondContact O-N 3Å; A451-I454 PolarHBondContact O-N 3.39Å; K452-I454 PolarHBondContact O-N 2.96Å; I454-Q456 VanDerWaalsContact C-N 3.3Å; I454-Q456 PolarHBondContact O-N 3.03Å; I454-K457 PolarHBondContact O-N 3.03Å; I454-Y458 WeakPolarHBondContact O-CA 3.42Å; I454-Y458 PolarHBondContact O-N 2.85Å; I454-L459 PolarHBondContact O-N 2.67Å
455C89.3Confident84.4Confident17 Ų1764.1 Ų64.112%0.11533%0.331CS..Hα-helixtrans-63.8-33.4177.2-690000113.1A451 K452 E453 L459 A471A451-C455 WeakPolarHBondContact O-CB 3.42Å; A451-C455 PolarHBondContact O-N 2.87Å; A451-C455 PolarHBondContact O-SG 2.75Å; K452-C455 PolarHBondContact O-N 2.88Å; E453-C455 PolarHBondContact O-N 3.47Å; C455-L459 WeakPolarHBondContact O-CB 3.45Å; C455-A471 HydrophobicContact CB-CB 4.38Å; C455-A471 PolarHBondContact SG-O 3.13Å; C455-A471 VanDerWaalsContact SG-O 3.38Å
456Q86.8Confident85.5Confident138 Ų13863.2 Ų63.265%0.64532%0.317SS*.Hα-helixtrans-77.9-36-179.9-175.1169.6-28.500112.6K452 E453 I454K452-Q456 WeakPolarHBondContact O-CB 3.47Å; K452-Q456 PolarHBondContact O-N 3.15Å; E453-Q456 PolarHBondContact O-N 3.3Å; I454-Q456 VanDerWaalsContact C-N 3.3Å; I454-Q456 PolarHBondContact O-N 3.03Å
457K88.2Confident86.4Confident92 Ų9262.3 Ų62.340%0.431%0.313SS..Hα-helixtrans-95.1-39.5-173.5-67.2173176.7174.70114E431 E453 I454E431-K457 WeakPolarHBondContact OE1-CD 3.18Å; E431-K457 IonicContact OE1-NZ 3.16Å; E431-K457 PolarHBondContact OE1-NZ 3.11Å; E431-K457 IonicContact OE2-NZ 3.83Å; E431-K457 PolarHBondContact OE2-NZ 3.23Å; E453-K457 WeakPolarHBondContact O-CB 3.12Å; E453-K457 WeakPolarHBondContact O-CG 3.48Å; E453-K457 PolarHBondContact O-N 2.96Å; E453-K457 WeakPolarHBondContact OE2-CE 3.38Å; E453-K457 IonicContact OE2-NZ 2.78Å; E453-K457 PolarHBondContact OE2-NZ 2.83Å; E453-K457 VanDerWaalsContact OE2-NZ 3.16Å; I454-K457 PolarHBondContact O-N 3.03Å
458Y91.3Very high86.9Confident56 Ų5667.4 Ų67.422%0.2234%0.336CS..THydrogen-bonded Turntrans-125.8-0.4-163.3-54.4-55.4000115.1T410 I412 L427 E431 I454 E460T410-Y458 WeakPolarHBondContact CA-O 3.35Å; T410-Y458 WeakPolarHBondContact CB-O 3.23Å; T410-Y458 WeakPolarHBondContact CG2-O 3.39Å; I412-Y458 HydrophobicContact CD1-CD1 3.8Å; I412-Y458 HydrophobicContact CD1-CG 4.09Å; L427-Y458 HydrophobicContact CD2-CE1 4.15Å; L427-Y458 HydrophobicContact CD2-CE2 4.23Å; L427-Y458 HydrophobicContact CG-CE2 4.29Å; E431-Y458 HydrophobicContact CG-CE2 4.08Å; E431-Y458 PolarHBondContact OE1-OH 3.17Å; I454-Y458 WeakPolarHBondContact O-CA 3.42Å; I454-Y458 PolarHBondContact O-N 2.85Å; Y458-E460 PolarHBondContact O-N 2.52Å
459L92.1Very high87.4Confident40 Ų4068.3 Ų68.321%0.20934%0.341CS..  trans-57.8129.7177.3-178.166.7000111W309 L409 I454 C455 L466 A471W309-L459 HydrophobicContact CH2-CD1 3.64Å; W309-L459 HydrophobicContact CZ2-CD1 3.66Å; W309-L459 HydrophobicContact CZ2-CG 4.29Å; L409-L459 HydrophobicContact CD1-CD1 3.61Å; L409-L459 HydrophobicContact CG-CD1 4.3Å; I454-L459 PolarHBondContact O-N 2.67Å; C455-L459 WeakPolarHBondContact O-CB 3.45Å; L459-L466 HydrophobicContact CD1-CD2 4.12Å; L459-A471 HydrophobicContact CD1-CB 4.3Å; L459-A471 HydrophobicContact CD2-CB 4.17Å
460E90.2Very high88Confident47 Ų4765.2 Ų65.222%0.2232%0.323CS..  trans-56.6137.2175.7172.366.6-89.600111.6W309 R312 L409 Y458 G462 A463W309-E460 HydrophobicContact CH2-CB 4.06Å; W309-E460 HydrophobicContact CZ2-CB 3.87Å; W309-E460 HydrophobicContact CZ2-CG 4.45Å; R312-E460 IonicContact NH1-OE2 3.38Å; R312-E460 IonicContact NH2-OE2 2.7Å; R312-E460 PolarHBondContact NH2-OE2 2.93Å; L409-E460 PolarHBondContact O-N 3.34Å; L409-E460 VanDerWaalsContact O-N 3.1Å; Y458-E460 PolarHBondContact O-N 2.52Å; E460-G462 PolarHBondContact OE1-N 3.04Å; E460-A463 HydrophobicContact CG-CB 3.7Å
461K87Confident88.4Confident183 Ų18365.2 Ų65.280%0.79632%0.323SS*.SBendtrans-109-25.4-178.3-63.5173.5-173.5169.70112.5A463K461-A463 VanDerWaalsContact C-N 3.28Å; K461-A463 PolarHBondContact O-N 3.41Å
462G82.8Confident88.7Confident46 Ų4668 Ų6847%0.47434%0.335SS..THydrogen-bonded Turntrans-72-16.6177.700000114.6P306 E460 G464P306-G462 WeakPolarHBondContact CB-O 3.47Å; E460-G462 PolarHBondContact OE1-N 3.04Å; G462-G464 VanDerWaalsContact C-N 3.31Å; G462-G464 PolarHBondContact O-N 3.35Å
463A83.5Confident89Confident9 Ų964 Ų647%0.07432%0.322CS..THydrogen-bonded Turntrans-85.25.6-178.600000114.8L307 W309 E460 K461L307-A463 WeakPolarHBondContact O-CB 3.35Å; W309-A463 HydrophobicContact CD2-CB 4.15Å; W309-A463 HydrophobicContact CG-CB 4.35Å; W309-A463 HydrophobicContact CZ2-CB 4.07Å; E460-A463 HydrophobicContact CG-CB 3.7Å; K461-A463 VanDerWaalsContact C-N 3.28Å; K461-A463 PolarHBondContact O-N 3.41Å
464G85.4Confident89.4Confident46 Ų4661.6 Ų61.647%0.47431%0.311SS..  trans86-170.3-172.300000113.2W309 G462W309-G464 PolarHBondContact NE1-O 3.36Å; G462-G464 VanDerWaalsContact C-N 3.31Å; G462-G464 PolarHBondContact O-N 3.35Å
465R86.9Confident89.6Confident247 Ų24761.4 Ų61.493%0.93231%0.31SS*.PPolyproline II helixtrans-79.4129.6177.4-73-174-178.9-1014.5111.1
466L89.7Confident89.7Confident18 Ų1861.4 Ų61.49%0.09431%0.31CS..PPolyproline II helixtrans-102.4132.6162.8-171.862.6000108.7W309 L459 C470 A471 L503W309-L466 HydrophobicContact CB-CD1 3.99Å; W309-L466 HydrophobicContact CD2-CB 3.89Å; W309-L466 HydrophobicContact CD2-CD1 3.96Å; W309-L466 HydrophobicContact CD2-CD2 3.96Å; W309-L466 HydrophobicContact CD2-CG 4.16Å; W309-L466 HydrophobicContact CE3-CD1 4.14Å; W309-L466 HydrophobicContact CE3-CD2 3.81Å; W309-L466 HydrophobicContact CE3-CG 4.43Å; W309-L466 HydrophobicContact CG-CB 3.95Å; W309-L466 HydrophobicContact CG-CD1 3.88Å; W309-L466 HydrophobicContact CG-CG 4.38Å; W309-L466 HydrophobicContact CH2-CD2 4.1Å; W309-L466 HydrophobicContact CZ2-CB 4.32Å; W309-L466 HydrophobicContact CZ2-CD2 4.22Å; W309-L466 HydrophobicContact CZ3-CD2 3.9Å; L459-L466 HydrophobicContact CD1-CD2 4.12Å; L466-C470 HydrophobicContact CD1-CB 3.82Å; L466-C470 HydrophobicContact CG-CB 4.07Å; L466-A471 VanDerWaalsContact CD2-CA 3.46Å; L466-A471 HydrophobicContact CD2-CB 3.65Å; L466-A471 HydrophobicContact CG-CB 4.11Å; L466-L503 HydrophobicContact CD1-CD1 4.17Å; L466-L503 HydrophobicContact CD1-CD2 4.08Å
467P91.5Very high90Very high33 Ų3354.9 Ų54.921%0.21428%0.279CS..PPolyproline II helixtrans-58.9140172.2-25.235.6000111D469 C470 A471 L503 W506P467-D469 VanDerWaalsContact C-N 3.26Å; P467-D469 PolarHBondContact O-N 3.14Å; P467-D469 VanDerWaalsContact O-N 3.15Å; P467-C470 HydrophobicContact CB-CB 4.27Å; P467-C470 WeakPolarHBondContact O-CA 3.44Å; P467-C470 VanDerWaalsContact O-CB 3.31Å; P467-C470 WeakPolarHBondContact O-CB 3.26Å; P467-C470 PolarHBondContact O-N 3.15Å; P467-A471 PolarHBondContact O-N 2.89Å; P467-L503 HydrophobicContact CG-CD2 4.38Å; P467-W506 HydrophobicContact CB-CZ3 4.23Å; P467-W506 HydrophobicContact CG-CD2 4.14Å; P467-W506 HydrophobicContact CG-CE3 3.82Å; P467-W506 HydrophobicContact CG-CH2 4.37Å; P467-W506 HydrophobicContact CG-CZ3 3.95Å
468E89.3Confident90.3Very high123 Ų12350.7 Ų50.758%0.57526%0.261SS*.Hα-helixtrans-58.5-37.1-168.6-157.3-166.4129.100112.8C470 A471 K472E468-C470 VanDerWaalsContact C-N 3.34Å; E468-A471 WeakPolarHBondContact O-CB 3.31Å; E468-A471 PolarHBondContact O-N 3.24Å; E468-K472 VanDerWaalsContact O-CG 3.28Å; E468-K472 WeakPolarHBondContact O-CG 3.45Å; E468-K472 PolarHBondContact O-N 3.29Å; E468-K472 WeakPolarHBondContact OE1-CE 3.38Å; E468-K472 IonicContact OE1-NZ 2.81Å; E468-K472 PolarHBondContact OE1-NZ 3.36Å
469D89.9Confident90.3Very high101 Ų10148.1 Ų48.154%0.5425%0.252SS..Hα-helixtrans-76.3-22.7178.7-56.6-37.3000113.3P467 K472 A473P467-D469 VanDerWaalsContact C-N 3.26Å; P467-D469 PolarHBondContact O-N 3.14Å; P467-D469 VanDerWaalsContact O-N 3.15Å; D469-K472 IonicContact OD1-NZ 3.38Å; D469-K472 PolarHBondContact OD1-NZ 3.11Å; D469-A473 VanDerWaalsContact O-CB 3.24Å; D469-A473 WeakPolarHBondContact O-CB 3.36Å; D469-A473 PolarHBondContact O-N 3.02Å; D469-A473 VanDerWaalsContact O-N 3.08Å
470C92.9Very high90.2Very high6 Ų647.1 Ų47.14%0.04125%0.247CC..Hα-helixtrans-74.3-39.8168.9-68.60000110.9L466 P467 E468 A473 L474 V499L466-C470 HydrophobicContact CD1-CB 3.82Å; L466-C470 HydrophobicContact CG-CB 4.07Å; P467-C470 HydrophobicContact CB-CB 4.27Å; P467-C470 WeakPolarHBondContact O-CA 3.44Å; P467-C470 VanDerWaalsContact O-CB 3.31Å; P467-C470 WeakPolarHBondContact O-CB 3.26Å; P467-C470 PolarHBondContact O-N 3.15Å; E468-C470 VanDerWaalsContact C-N 3.34Å; C470-A473 PolarHBondContact O-N 3.05Å; C470-L474 WeakPolarHBondContact O-CB 3.44Å; C470-L474 PolarHBondContact O-N 2.96Å; C470-V499 HydrophobicContact CB-CG1 3.72Å
471A92.5Very high90.3Very high2 Ų244.9 Ų44.92%0.01724%0.236CC..Hα-helixtrans-60.7-52.3172.800000111.1C455 L459 L466 P467 E468 A473 L474 A475C455-A471 HydrophobicContact CB-CB 4.38Å; C455-A471 PolarHBondContact SG-O 3.13Å; C455-A471 VanDerWaalsContact SG-O 3.38Å; L459-A471 HydrophobicContact CD1-CB 4.3Å; L459-A471 HydrophobicContact CD2-CB 4.17Å; L466-A471 VanDerWaalsContact CD2-CA 3.46Å; L466-A471 HydrophobicContact CD2-CB 3.65Å; L466-A471 HydrophobicContact CG-CB 4.11Å; P467-A471 PolarHBondContact O-N 2.89Å; E468-A471 WeakPolarHBondContact O-CB 3.31Å; E468-A471 PolarHBondContact O-N 3.24Å; A471-A473 VanDerWaalsContact C-N 3.35Å; A471-A473 PolarHBondContact O-N 2.84Å; A471-L474 PolarHBondContact O-N 2.76Å; A471-A475 VanDerWaalsContact O-CB 3.32Å; A471-A475 WeakPolarHBondContact O-CB 3.5Å; A471-A475 PolarHBondContact O-N 3.35Å
472K91.4Very high90.3Very high60 Ų6036.9 Ų36.926%0.26120%0.202SC..Hα-helixtrans-55.6-46.6176-70.4166.3-165.5149.90112E468 D469 A475 T476E468-K472 VanDerWaalsContact O-CG 3.28Å; E468-K472 WeakPolarHBondContact O-CG 3.45Å; E468-K472 PolarHBondContact O-N 3.29Å; E468-K472 WeakPolarHBondContact OE1-CE 3.38Å; E468-K472 IonicContact OE1-NZ 2.81Å; E468-K472 PolarHBondContact OE1-NZ 3.36Å; D469-K472 IonicContact OD1-NZ 3.38Å; D469-K472 PolarHBondContact OD1-NZ 3.11Å; K472-A475 PolarHBondContact O-N 2.96Å; K472-T476 WeakPolarHBondContact O-CB 3.19Å; K472-T476 PolarHBondContact O-N 3.39Å; K472-T476 PolarHBondContact O-OG1 3.44Å
473A92.8Very high90.3Very high24 Ų2439 Ų3920%0.19820%0.196CC..Hα-helixtrans-64.5-42.5-178.300000112.6D469 C470 A471 A477 V499D469-A473 VanDerWaalsContact O-CB 3.24Å; D469-A473 WeakPolarHBondContact O-CB 3.36Å; D469-A473 PolarHBondContact O-N 3.02Å; D469-A473 VanDerWaalsContact O-N 3.08Å; C470-A473 PolarHBondContact O-N 3.05Å; A471-A473 VanDerWaalsContact C-N 3.35Å; A471-A473 PolarHBondContact O-N 2.84Å; A473-A477 WeakPolarHBondContact O-CB 3.42Å; A473-A477 PolarHBondContact O-N 3.46Å; A473-V499 HydrophobicContact CB-CG2 3.53Å
474L94.3Very high90Very high0 Ų041.9 Ų41.90%021%0.207CC..Hα-helixtrans-67.1-38.8175.7-176.559.8000111.8W309 V313 L405 L409 C470 A471 A477 A478 V496W309-L474 HydrophobicContact CZ3-CD2 4.38Å; V313-L474 HydrophobicContact CG2-CD2 4.33Å; L405-L474 HydrophobicContact CD2-CD1 4.42Å; L405-L474 HydrophobicContact CG-CD1 4.32Å; L409-L474 HydrophobicContact CB-CD2 4.48Å; L409-L474 HydrophobicContact CD1-CB 4.4Å; L409-L474 HydrophobicContact CD1-CD2 3.97Å; L409-L474 HydrophobicContact CD1-CG 4.24Å; C470-L474 WeakPolarHBondContact O-CB 3.44Å; C470-L474 PolarHBondContact O-N 2.96Å; A471-L474 PolarHBondContact O-N 2.76Å; L474-A477 WeakPolarHBondContact O-CB 3.17Å; L474-A477 PolarHBondContact O-N 2.87Å; L474-A478 PolarHBondContact O-N 2.93Å; L474-A478 VanDerWaalsContact O-N 3.11Å; L474-V496 HydrophobicContact CD1-CG2 4.05Å
475A93.6Very high89.3Confident1 Ų148.8 Ų48.81%0.00822%0.218CC..Hα-helixtrans-65.4-47.2174.600000112.2L409 A451 A471 K472 A477 A478 C479L409-A475 HydrophobicContact CD2-CB 3.62Å; A451-A475 HydrophobicContact CB-CB 3.66Å; A471-A475 VanDerWaalsContact O-CB 3.32Å; A471-A475 WeakPolarHBondContact O-CB 3.5Å; A471-A475 PolarHBondContact O-N 3.35Å; K472-A475 PolarHBondContact O-N 2.96Å; A475-A477 VanDerWaalsContact C-N 3.29Å; A475-A477 PolarHBondContact O-N 3.37Å; A475-A478 WeakPolarHBondContact O-CB 3.39Å; A475-A478 PolarHBondContact O-N 3.02Å; A475-A478 VanDerWaalsContact O-N 3.12Å; A475-C479 PolarHBondContact O-N 3.38Å; A475-C479 PolarHBondContact O-SG 2.94Å
476T91.7Very high88.6Confident18 Ų1843.5 Ų43.511%0.1121%0.208CC..Hα-helixtrans-60.1-38.4174.7-67.90000111.4E447 N448 A451 K472 A478 C479 L480E447-T476 HydrophobicContact CB-CG2 4.47Å; N448-T476 WeakPolarHBondContact OD1-CG2 3.45Å; N448-T476 PolarHBondContact OD1-OG1 3.44Å; A451-T476 VanDerWaalsContact CB-OG1 3.26Å; A451-T476 WeakPolarHBondContact CB-OG1 3.33Å; K472-T476 WeakPolarHBondContact O-CB 3.19Å; K472-T476 PolarHBondContact O-N 3.39Å; K472-T476 PolarHBondContact O-OG1 3.44Å; T476-A478 PolarHBondContact O-N 3.34Å; T476-C479 PolarHBondContact O-N 3.24Å; T476-L480 HydrophobicContact CG2-CD1 3.96Å; T476-L480 HydrophobicContact CG2-CG 4.27Å; T476-L480 WeakPolarHBondContact O-CB 3.43Å; T476-L480 VanDerWaalsContact O-CG 3.27Å; T476-L480 WeakPolarHBondContact O-CG 3.25Å; T476-L480 PolarHBondContact O-N 3.08Å
477A93.5Very high88.2Confident0 Ų043.4 Ų43.40%021%0.208CC..Hα-helixtrans-59.8-44.2173.900000112.1L405 A473 L474 A475 C481 V492 V496L405-A477 HydrophobicContact CD2-CB 4.21Å; A473-A477 WeakPolarHBondContact O-CB 3.42Å; A473-A477 PolarHBondContact O-N 3.46Å; L474-A477 WeakPolarHBondContact O-CB 3.17Å; L474-A477 PolarHBondContact O-N 2.87Å; A475-A477 VanDerWaalsContact C-N 3.29Å; A475-A477 PolarHBondContact O-N 3.37Å; A477-C481 PolarHBondContact O-N 2.97Å; A477-C481 VanDerWaalsContact O-N 3.16Å; A477-V492 HydrophobicContact CB-CG1 4.04Å; A477-V496 HydrophobicContact CB-CG2 4.04Å
478A93.9Very high87.8Confident4 Ų444.1 Ų44.13%0.03321%0.214CC..Hα-helixtrans-62.5-49.3172.500000111.9L405 A406 L474 A475 T476 L480 C481 L482L405-A478 HydrophobicContact CB-CB 4.08Å; A406-A478 HydrophobicContact CB-CB 4.46Å; L474-A478 PolarHBondContact O-N 2.93Å; L474-A478 VanDerWaalsContact O-N 3.11Å; A475-A478 WeakPolarHBondContact O-CB 3.39Å; A475-A478 PolarHBondContact O-N 3.02Å; A475-A478 VanDerWaalsContact O-N 3.12Å; T476-A478 PolarHBondContact O-N 3.34Å; A478-L480 VanDerWaalsContact C-N 3.31Å; A478-L480 PolarHBondContact O-N 3.02Å; A478-C481 WeakPolarHBondContact O-CB 3.23Å; A478-C481 PolarHBondContact O-N 3.42Å; A478-C481 VanDerWaalsContact O-N 3.12Å; A478-L482 WeakPolarHBondContact O-CG 3.12Å; A478-L482 PolarHBondContact O-N 3.22Å
479C90.8Very high87.7Confident3 Ų338.9 Ų38.92%0.0219%0.19CC..Hα-helixtrans-57.3-40.1178.8-64.80000112.9E447 M450 A475 T476 L482 R483E447-C479 HydrophobicContact CB-CB 3.88Å; E447-C479 HydrophobicContact CG-CB 4.06Å; M450-C479 VanDerWaalsContact CG-SG 3.59Å; M450-C479 HydrophobicContact SD-CB 4.17Å; A475-C479 PolarHBondContact O-N 3.38Å; A475-C479 PolarHBondContact O-SG 2.94Å; T476-C479 PolarHBondContact O-N 3.24Å; C479-L482 PolarHBondContact O-N 3.33Å; C479-R483 WeakPolarHBondContact O-CB 3.24Å; C479-R483 PolarHBondContact O-N 2.97Å
480L90.1Very high87.6Confident19 Ų1940 Ų4010%0.09919%0.192CC..Hα-helixtrans-63.7-45.6175-75168.7000111.8E447 T476 A478 L482 R483 K484 I487E447-L480 HydrophobicContact CG-CD2 4.09Å; E447-L480 HydrophobicContact CG-CG 4.39Å; T476-L480 HydrophobicContact CG2-CD1 3.96Å; T476-L480 HydrophobicContact CG2-CG 4.27Å; T476-L480 WeakPolarHBondContact O-CB 3.43Å; T476-L480 VanDerWaalsContact O-CG 3.27Å; T476-L480 WeakPolarHBondContact O-CG 3.25Å; T476-L480 PolarHBondContact O-N 3.08Å; A478-L480 VanDerWaalsContact C-N 3.31Å; A478-L480 PolarHBondContact O-N 3.02Å; L480-L482 VanDerWaalsContact C-N 3.26Å; L480-L482 PolarHBondContact O-N 3.26Å; L480-R483 PolarHBondContact O-N 2.79Å; L480-K484 HydrophobicContact CD2-CB 4.45Å; L480-K484 HydrophobicContact CD2-CD 4.14Å; L480-K484 PolarHBondContact O-N 2.89Å; L480-K484 VanDerWaalsContact O-N 3.07Å; L480-I487 HydrophobicContact CB-CD1 4.13Å; L480-I487 HydrophobicContact CB-CG1 4.45Å
481C91.9Very high87.4Confident0 Ų043.8 Ų43.80%021%0.208CC..Hα-helixtrans-58.2-34.2173.5-92.90000113.2R395 V398 A477 A478R395-C481 PolarHBondContact NH1-O 3.21Å; R395-C481 PolarHBondContact NH2-O 2.98Å; V398-C481 VanDerWaalsContact O-CB 3.28Å; V398-C481 WeakPolarHBondContact O-CB 3.47Å; V398-C481 PolarHBondContact O-SG 3.03Å; A477-C481 PolarHBondContact O-N 2.97Å; A477-C481 VanDerWaalsContact O-N 3.16Å; A478-C481 WeakPolarHBondContact O-CB 3.23Å; A478-C481 PolarHBondContact O-N 3.42Å; A478-C481 VanDerWaalsContact O-N 3.12Å
482L88.9Confident87.3Confident14 Ų1443.7 Ų43.77%0.07321%0.208CC..Hα-helixtrans-80.3-47.1177.8-59.3-176.6000112.3R395 F399 I403 L428 A478 C479 L480R395-L482 PolarHBondContact NH2-O 2.73Å; F399-L482 HydrophobicContact CD1-CD2 4.23Å; F399-L482 HydrophobicContact CD2-CB 4.5Å; F399-L482 HydrophobicContact CD2-CD2 3.88Å; F399-L482 HydrophobicContact CE1-CD2 4.11Å; F399-L482 HydrophobicContact CE2-CB 4.2Å; F399-L482 HydrophobicContact CE2-CD2 3.75Å; F399-L482 HydrophobicContact CG-CD2 4.14Å; F399-L482 HydrophobicContact CZ-CD2 3.88Å; I403-L482 HydrophobicContact CD1-CD1 4.08Å; I403-L482 HydrophobicContact CD1-CD2 3.46Å; I403-L482 VanDerWaalsContact CD1-CD2 3.46Å; I403-L482 HydrophobicContact CD1-CG 4.42Å; I403-L482 HydrophobicContact CG1-CD2 3.86Å; L428-L482 HydrophobicContact CD1-CD1 4.04Å; A478-L482 WeakPolarHBondContact O-CG 3.12Å; A478-L482 PolarHBondContact O-N 3.22Å; C479-L482 PolarHBondContact O-N 3.33Å; L480-L482 VanDerWaalsContact C-N 3.26Å; L480-L482 PolarHBondContact O-N 3.26Å
483R82.1Confident87.4Confident92 Ų9245.5 Ų45.535%0.34721%0.213SC..Hα-helixtrans-95.2-40.5-165.9-63.5177.560.480.2-3.5115.9L429 I432 E447 C479 L480 R485L429-R483 HydrophobicContact CD2-CG 4.38Å; I432-R483 VanDerWaalsContact CD1-NH1 3.27Å; E447-R483 IonicContact OE1-NE 2.77Å; C479-R483 WeakPolarHBondContact O-CB 3.24Å; C479-R483 PolarHBondContact O-N 2.97Å; L480-R483 PolarHBondContact O-N 2.79Å; R483-R485 PolarHBondContact O-N 3.13Å
484K77.3Confident87.3Confident69 Ų6946.4 Ų46.430%0.322%0.224SC..  trans-78116.8-169.3177.8176.7163.9-173.70109.9R395 L480 N486 I487 E491R395-K484 PolarHBondContact NE-O 3.02Å; R395-K484 VanDerWaalsContact NE-O 3.09Å; R395-K484 PolarHBondContact NH2-O 3.1Å; L480-K484 HydrophobicContact CD2-CB 4.45Å; L480-K484 HydrophobicContact CD2-CD 4.14Å; L480-K484 PolarHBondContact O-N 2.89Å; L480-K484 VanDerWaalsContact O-N 3.07Å; K484-N486 VanDerWaalsContact C-N 3.3Å; K484-N486 VanDerWaalsContact CE-O 3.26Å; K484-N486 WeakPolarHBondContact CE-O 3.44Å; K484-N486 PolarHBondContact O-N 3.32Å; K484-I487 HydrophobicContact CB-CB 4.01Å; K484-I487 HydrophobicContact CD-CB 4.03Å; K484-I487 HydrophobicContact CD-CD1 3.98Å; K484-I487 HydrophobicContact CG-CB 3.96Å; K484-I487 VanDerWaalsContact O-CG2 3.32Å; K484-I487 WeakPolarHBondContact O-CG2 3.41Å; K484-E491 IonicContact NZ-OE1 3.16Å; K484-E491 PolarHBondContact NZ-OE1 2.98Å; K484-E491 IonicContact NZ-OE2 3.19Å; K484-E491 PolarHBondContact NZ-OE2 3.46Å
485R69.9Low87.1Confident191 Ų19148.5 Ų48.572%0.72124%0.239SC*.THydrogen-bonded Turntrans-61.9-37-175.7-168.7172.6-178.8132.60.3112.7R395 R483R395-R485 WeakPolarHBondContact CD-O 3.33Å; R395-R485 PolarHBondContact NE-O 3.49Å; R483-R485 PolarHBondContact O-N 3.13Å
486N73.1Confident87.2Confident135 Ų13548.5 Ų48.572%0.72224%0.239SC*.THydrogen-bonded Turntrans-117.754.9180-57.89.4000110.3K484K484-N486 VanDerWaalsContact C-N 3.3Å; K484-N486 VanDerWaalsContact CE-O 3.26Å; K484-N486 WeakPolarHBondContact CE-O 3.44Å; K484-N486 PolarHBondContact O-N 3.32Å
487I81.7Confident87.3Confident16 Ų1649.3 Ų49.38%0.08225%0.248CC..  trans-77.6129.1171.6178.759.5000109.8V398 L480 K484 E491 V492V398-I487 HydrophobicContact CG1-CG2 3.76Å; L480-I487 HydrophobicContact CB-CD1 4.13Å; L480-I487 HydrophobicContact CB-CG1 4.45Å; K484-I487 HydrophobicContact CB-CB 4.01Å; K484-I487 HydrophobicContact CD-CB 4.03Å; K484-I487 HydrophobicContact CD-CD1 3.98Å; K484-I487 HydrophobicContact CG-CB 3.96Å; K484-I487 VanDerWaalsContact O-CG2 3.32Å; K484-I487 WeakPolarHBondContact O-CG2 3.41Å; I487-E491 HydrophobicContact CD1-CB 3.93Å; I487-E491 HydrophobicContact CD1-CG 4.46Å; I487-E491 VanDerWaalsContact CD1-OE2 3.25Å; I487-E491 WeakPolarHBondContact CD1-OE2 3.02Å; I487-V492 HydrophobicContact CD1-CG2 3.78Å; I487-V492 HydrophobicContact CG1-CG2 3.55Å
488S81.9Confident87.2Confident48 Ų4850.6 Ų50.634%0.33626%0.258SS..  trans-79.4132.4166.2-179.40000109.2Q490 E491S488-Q490 PolarHBondContact O-N 2.94Å; S488-Q490 VanDerWaalsContact O-N 3.17Å; S488-Q490 PolarHBondContact OG-N 3.48Å; S488-E491 WeakPolarHBondContact O-CB 3.2Å; S488-E491 PolarHBondContact O-N 2.96Å; S488-E491 VanDerWaalsContact O-N 3.08Å
489L88.3Confident87.2Confident14 Ų1450.4 Ų50.47%0.07326%0.257CS..Hα-helixtrans-60.8-24.8176.9-17056.9000111.9L320 V323 E324 V398 V492 R493L320-L489 HydrophobicContact CD2-CD1 3.58Å; V323-L489 HydrophobicContact CB-CD2 4.04Å; V323-L489 HydrophobicContact CG1-CD2 3.79Å; E324-L489 HydrophobicContact CB-CD2 3.87Å; E324-L489 HydrophobicContact CB-CG 4.47Å; V398-L489 HydrophobicContact CG1-CD1 4.25Å; V398-L489 HydrophobicContact CG2-CD1 4.24Å; L489-V492 PolarHBondContact O-N 2.96Å; L489-R493 WeakPolarHBondContact O-CB 3.37Å; L489-R493 PolarHBondContact O-N 2.78Å
490Q87.3Confident87.3Confident125 Ų12551.6 Ų51.658%0.58426%0.262SS*.Hα-helixtrans-67.4-34.4174.9-71.2171.3-17.900113.4E324 S488 V492 G494E324-Q490 WeakPolarHBondContact OE1-CG 3.36Å; E324-Q490 PolarHBondContact OE1-NE2 3.24Å; S488-Q490 PolarHBondContact O-N 2.94Å; S488-Q490 VanDerWaalsContact O-N 3.17Å; S488-Q490 PolarHBondContact OG-N 3.48Å; Q490-V492 VanDerWaalsContact C-N 3.33Å; Q490-G494 PolarHBondContact O-N 2.92Å
491E87.7Confident87.4Confident84 Ų8457.2 Ų57.239%0.39329%0.288SS..Hα-helixtrans-64.4-41.5173.7-66173.6-143.400110.9K484 I487 S488 S495K484-E491 IonicContact NZ-OE1 3.16Å; K484-E491 PolarHBondContact NZ-OE1 2.98Å; K484-E491 IonicContact NZ-OE2 3.19Å; K484-E491 PolarHBondContact NZ-OE2 3.46Å; I487-E491 HydrophobicContact CD1-CB 3.93Å; I487-E491 HydrophobicContact CD1-CG 4.46Å; I487-E491 VanDerWaalsContact CD1-OE2 3.25Å; I487-E491 WeakPolarHBondContact CD1-OE2 3.02Å; S488-E491 WeakPolarHBondContact O-CB 3.2Å; S488-E491 PolarHBondContact O-N 2.96Å; S488-E491 VanDerWaalsContact O-N 3.08Å; E491-S495 WeakPolarHBondContact O-CB 3.18Å; E491-S495 PolarHBondContact O-N 2.59Å; E491-S495 VanDerWaalsContact O-N 3.12Å; E491-S495 PolarHBondContact O-OG 3.28Å
492V91.5Very high87.4Confident0 Ų063.6 Ų63.60%031%0.312CS..Hα-helixtrans-68.3-48.8178.6-172.20000110L320 L405 A477 I487 L489 Q490 G494 S495 V496L320-V492 HydrophobicContact CD1-CG1 3.98Å; L320-V492 HydrophobicContact CD2-CG1 4Å; L405-V492 HydrophobicContact CD2-CG1 4.21Å; A477-V492 HydrophobicContact CB-CG1 4.04Å; I487-V492 HydrophobicContact CD1-CG2 3.78Å; I487-V492 HydrophobicContact CG1-CG2 3.55Å; L489-V492 PolarHBondContact O-N 2.96Å; Q490-V492 VanDerWaalsContact C-N 3.33Å; V492-G494 PolarHBondContact O-N 3.03Å; V492-S495 WeakPolarHBondContact O-CB 3.42Å; V492-S495 PolarHBondContact O-N 2.91Å; V492-V496 PolarHBondContact O-N 3.34Å
493R92.8Very high87.4Confident99 Ų9963.4 Ų63.437%0.37431%0.311SS..Hα-helixtrans-58.6-47177.2-179.1-177.1168.5178.20.5111.7L320 C321 E324 L489 S495 V496 A497L320-R493 HydrophobicContact CB-CB 4.36Å; C321-R493 PolarHBondContact SG-NE 2.82Å; C321-R493 VanDerWaalsContact SG-NE 3.36Å; E324-R493 WeakPolarHBondContact OE2-CD 3.47Å; E324-R493 IonicContact OE2-CZ 2.88Å; E324-R493 IonicContact OE2-NE 2.76Å; E324-R493 IonicContact OE2-NH1 2.62Å; E324-R493 PolarHBondContact OE2-NH1 3.14Å; L489-R493 WeakPolarHBondContact O-CB 3.37Å; L489-R493 PolarHBondContact O-N 2.78Å; R493-S495 VanDerWaalsContact C-N 3.3Å; R493-S495 PolarHBondContact O-N 2.79Å; R493-V496 PolarHBondContact O-N 3.45Å; R493-A497 WeakPolarHBondContact O-CB 3.3Å; R493-A497 PolarHBondContact O-N 3.4Å
494G90.6Very high87.6Confident42 Ų4265 Ų6543%0.43332%0.317SS..Hα-helixtrans-60.8-39177.300000112.5Q490 V492 A498Q490-G494 PolarHBondContact O-N 2.92Å; V492-G494 PolarHBondContact O-N 3.03Å; G494-A498 WeakPolarHBondContact O-CB 3.32Å; G494-A498 PolarHBondContact O-N 3.06Å
495S91.4Very high87.5Confident45 Ų4563.2 Ų63.232%0.31532%0.318SS..Hα-helixtrans-64-42.9175.2-57.90000112.5E491 V492 R493 V499E491-S495 WeakPolarHBondContact O-CB 3.18Å; E491-S495 PolarHBondContact O-N 2.59Å; E491-S495 VanDerWaalsContact O-N 3.12Å; E491-S495 PolarHBondContact O-OG 3.28Å; V492-S495 WeakPolarHBondContact O-CB 3.42Å; V492-S495 PolarHBondContact O-N 2.91Å; R493-S495 VanDerWaalsContact C-N 3.3Å; R493-S495 PolarHBondContact O-N 2.79Å; S495-V499 PolarHBondContact O-N 3.33Å
496V94.8Very high87.4Confident0 Ų061.1 Ų61.10%031%0.31CS..Hα-helixtrans-71.8-41.9178174.70000111.9V313 C316 L320 L405 L474 A477 V492 R493 A498 V499 E500V313-V496 HydrophobicContact CG1-CG1 4.02Å; C316-V496 HydrophobicContact CB-CG1 4.01Å; L320-V496 HydrophobicContact CD1-CB 3.97Å; L320-V496 HydrophobicContact CD1-CG1 4.36Å; L320-V496 HydrophobicContact CD1-CG2 3.71Å; L405-V496 HydrophobicContact CD2-CG2 4.18Å; L474-V496 HydrophobicContact CD1-CG2 4.05Å; A477-V496 HydrophobicContact CB-CG2 4.04Å; V492-V496 PolarHBondContact O-N 3.34Å; R493-V496 PolarHBondContact O-N 3.45Å; V496-A498 VanDerWaalsContact C-N 3.32Å; V496-A498 PolarHBondContact O-N 3.2Å; V496-V499 WeakPolarHBondContact O-CB 3.4Å; V496-V499 PolarHBondContact O-N 3.27Å; V496-E500 PolarHBondContact O-N 3.41Å
497A92.9Very high87Confident36 Ų3660 Ų6030%0.29830%0.301SS..Hα-helixtrans-62-38.2176.900000112.2R493 V499 E500 E501R493-A497 WeakPolarHBondContact O-CB 3.3Å; R493-A497 PolarHBondContact O-N 3.4Å; A497-V499 PolarHBondContact O-N 2.65Å; A497-E500 WeakPolarHBondContact O-CB 3.48Å; A497-E500 PolarHBondContact O-N 2.88Å; A497-E500 VanDerWaalsContact O-N 3.15Å; A497-E501 PolarHBondContact O-N 3.2Å
498A92.7Very high85.9Confident27 Ų2765 Ų6522%0.22333%0.332CS..Hα-helixtrans-67.5-21.9174.100000113.5G494 V496 R502G494-A498 WeakPolarHBondContact O-CB 3.32Å; G494-A498 PolarHBondContact O-N 3.06Å; V496-A498 VanDerWaalsContact C-N 3.32Å; V496-A498 PolarHBondContact O-N 3.2Å; A498-R502 VanDerWaalsContact O-CD 3.23Å; A498-R502 WeakPolarHBondContact O-CD 3.49Å; A498-R502 WeakPolarHBondContact O-CG 3.4Å; A498-R502 PolarHBondContact O-NE 3.05Å
499V93.9Very high84.3Confident0 Ų069.5 Ų69.50%035%0.352CS..Hα-helixtrans-77.8-43.2168175.40000110.4V313 C470 A473 S495 V496 A497 E501 R502 L503V313-V499 HydrophobicContact CG1-CB 4.22Å; V313-V499 HydrophobicContact CG1-CG1 4.04Å; V313-V499 HydrophobicContact CG2-CG1 3.94Å; C470-V499 HydrophobicContact CB-CG1 3.72Å; A473-V499 HydrophobicContact CB-CG2 3.53Å; S495-V499 PolarHBondContact O-N 3.33Å; V496-V499 WeakPolarHBondContact O-CB 3.4Å; V496-V499 PolarHBondContact O-N 3.27Å; A497-V499 PolarHBondContact O-N 2.65Å; V499-E501 VanDerWaalsContact C-N 3.32Å; V499-E501 PolarHBondContact O-N 3.36Å; V499-R502 PolarHBondContact O-N 2.91Å; V499-L503 HydrophobicContact CG1-CD1 4.19Å; V499-L503 HydrophobicContact CG1-CG 4.41Å; V499-L503 WeakPolarHBondContact O-CG 3.42Å; V499-L503 PolarHBondContact O-N 2.99Å
500E93.6Very high82.2Confident27 Ų2774.2 Ų74.213%0.12638%0.376CS..Hα-helixtrans-58.7-42.1179.4-152.5-164.6129.300112.3V313 S317 V496 A497 L503 R504V313-E500 HydrophobicContact CG1-CB 3.73Å; V313-E500 HydrophobicContact CG1-CG 4Å; S317-E500 WeakPolarHBondContact CB-OE2 3.48Å; S317-E500 PolarHBondContact OG-OE2 3.07Å; V496-E500 PolarHBondContact O-N 3.41Å; A497-E500 WeakPolarHBondContact O-CB 3.48Å; A497-E500 PolarHBondContact O-N 2.88Å; A497-E500 VanDerWaalsContact O-N 3.15Å; E500-L503 PolarHBondContact O-N 3.3Å; E500-R504 VanDerWaalsContact CD-NH2 3.31Å; E500-R504 PolarHBondContact O-N 3.42Å; E500-R504 IonicContact OE1-CZ 2.72Å; E500-R504 IonicContact OE1-NH1 2.82Å; E500-R504 PolarHBondContact OE1-NH1 2.77Å; E500-R504 IonicContact OE1-NH2 3.22Å; E500-R504 PolarHBondContact OE1-NH2 3.46Å
501E91.5Very high79.9Confident138 Ų13873.6 Ų73.665%0.64538%0.383SS*.Hα-helixtrans-64.8-44.3175.2-175.8176.1-15500112.6A497 V499 L503 R504 G505A497-E501 PolarHBondContact O-N 3.2Å; V499-E501 VanDerWaalsContact C-N 3.32Å; V499-E501 PolarHBondContact O-N 3.36Å; E501-L503 VanDerWaalsContact C-N 3.32Å; E501-L503 PolarHBondContact O-N 3.23Å; E501-R504 PolarHBondContact O-N 2.68Å; E501-G505 PolarHBondContact O-N 3.45Å
502R91.6Very high77.5Confident133 Ų13382.2 Ų82.250%0.50241%0.412SS..Hα-helixtrans-63.6-36.4177-71.6168.8-164.7159.86.5112.5A498 V499 G505 W506A498-R502 VanDerWaalsContact O-CD 3.23Å; A498-R502 WeakPolarHBondContact O-CD 3.49Å; A498-R502 WeakPolarHBondContact O-CG 3.4Å; A498-R502 PolarHBondContact O-NE 3.05Å; V499-R502 PolarHBondContact O-N 2.91Å; R502-G505 PolarHBondContact O-N 2.87Å; R502-W506 WeakPolarHBondContact O-CB 3.37Å; R502-W506 PolarHBondContact O-N 2.87Å
503L89.4Confident74.9Confident11 Ų1187.8 Ų87.86%0.05845%0.451CS..Hα-helixtrans-68.1-43.9177.4-68.9179.1000111.7W309 V313 L466 P467 V499 E500 E501 G505 W506 E507W309-L503 HydrophobicContact CB-CD1 4.42Å; V313-L503 HydrophobicContact CB-CD1 4.19Å; V313-L503 HydrophobicContact CG2-CD1 3.75Å; L466-L503 HydrophobicContact CD1-CD1 4.17Å; L466-L503 HydrophobicContact CD1-CD2 4.08Å; P467-L503 HydrophobicContact CG-CD2 4.38Å; V499-L503 HydrophobicContact CG1-CD1 4.19Å; V499-L503 HydrophobicContact CG1-CG 4.41Å; V499-L503 WeakPolarHBondContact O-CG 3.42Å; V499-L503 PolarHBondContact O-N 2.99Å; E500-L503 PolarHBondContact O-N 3.3Å; E501-L503 VanDerWaalsContact C-N 3.32Å; E501-L503 PolarHBondContact O-N 3.23Å; L503-G505 VanDerWaalsContact C-N 3.32Å; L503-G505 PolarHBondContact O-N 3.35Å; L503-W506 WeakPolarHBondContact O-CB 3.41Å; L503-W506 PolarHBondContact O-N 3.04Å; L503-W506 VanDerWaalsContact O-N 3.07Å; L503-E507 WeakPolarHBondContact O-CG 3.42Å; L503-E507 PolarHBondContact O-N 3.46Å
504R85.5Confident72.3Confident125 Ų12586.3 Ų86.347%0.47247%0.467SS..Hα-helixtrans-57.2-44.1171.1-80.4-175.4-81.6-93.42.4112.5E500 E501 W506 E507 T508E500-R504 VanDerWaalsContact CD-NH2 3.31Å; E500-R504 PolarHBondContact O-N 3.42Å; E500-R504 IonicContact OE1-CZ 2.72Å; E500-R504 IonicContact OE1-NH1 2.82Å; E500-R504 PolarHBondContact OE1-NH1 2.77Å; E500-R504 IonicContact OE1-NH2 3.22Å; E500-R504 PolarHBondContact OE1-NH2 3.46Å; E501-R504 PolarHBondContact O-N 2.68Å; R504-W506 VanDerWaalsContact C-N 3.31Å; R504-W506 PolarHBondContact O-N 3.23Å; R504-E507 PolarHBondContact O-N 3.01Å; R504-T508 PolarHBondContact O-N 3.39Å; R504-T508 VanDerWaalsContact O-N 3.15Å; R504-T508 PolarHBondContact O-OG1 2.84Å
505G75.1Confident69.5Low31 Ų3192.7 Ų92.732%0.3249%0.49SS..Hα-helixtrans-59.5-41.3173.800000112.6E501 R502 L503 T508 L509E501-G505 PolarHBondContact O-N 3.45Å; R502-G505 PolarHBondContact O-N 2.87Å; L503-G505 VanDerWaalsContact C-N 3.32Å; L503-G505 PolarHBondContact O-N 3.35Å; G505-T508 PolarHBondContact O-N 2.91Å; G505-L509 VanDerWaalsContact O-CG 3.3Å; G505-L509 WeakPolarHBondContact O-CG 3.47Å; G505-L509 PolarHBondContact O-N 3.42Å; G505-L509 VanDerWaalsContact O-N 3.16Å
506W68.9Low66.6Low148 Ų14895.9 Ų95.956%0.56151%0.512SS*.Hα-helixtrans-66.1-42.5178.1-163.4-69.6000112.9P467 R502 L503 R504 T508 L509 L510P467-W506 HydrophobicContact CB-CZ3 4.23Å; P467-W506 HydrophobicContact CG-CD2 4.14Å; P467-W506 HydrophobicContact CG-CE3 3.82Å; P467-W506 HydrophobicContact CG-CH2 4.37Å; P467-W506 HydrophobicContact CG-CZ3 3.95Å; R502-W506 WeakPolarHBondContact O-CB 3.37Å; R502-W506 PolarHBondContact O-N 2.87Å; L503-W506 WeakPolarHBondContact O-CB 3.41Å; L503-W506 PolarHBondContact O-N 3.04Å; L503-W506 VanDerWaalsContact O-N 3.07Å; R504-W506 VanDerWaalsContact C-N 3.31Å; R504-W506 PolarHBondContact O-N 3.23Å; W506-T508 PolarHBondContact O-N 3.23Å; W506-L509 PolarHBondContact O-N 3.09Å; W506-L509 VanDerWaalsContact O-N 3.14Å; W506-L510 PolarHBondContact O-N 2.94Å
507E63Low63.9Low111 Ų111105.2 Ų105.252%0.51956%0.556SS.*Hα-helixtrans-60.5-31.6174-69.3173.2132.100112P310 L503 R504P310-E507 WeakPolarHBondContact CG-OE1 3.42Å; L503-E507 WeakPolarHBondContact O-CG 3.42Å; L503-E507 PolarHBondContact O-N 3.46Å; R504-E507 PolarHBondContact O-N 3.01Å
508T59.8Low61Low120 Ų120106.6 Ų106.674%0.73657%0.573SS**Hα-helixtrans-81.1-16.8178.9-47.10000112.8R504 G505 W506R504-T508 PolarHBondContact O-N 3.39Å; R504-T508 VanDerWaalsContact O-N 3.15Å; R504-T508 PolarHBondContact O-OG1 2.84Å; G505-T508 PolarHBondContact O-N 2.91Å; W506-T508 PolarHBondContact O-N 3.23Å
509L48.7Very low58.1Low144 Ų144112.6 Ų112.675%0.75461%0.608SS**THydrogen-bonded Turntrans-99.9-1-177.3-74.9169.9000114.3G505 W506 P511G505-L509 VanDerWaalsContact O-CG 3.3Å; G505-L509 WeakPolarHBondContact O-CG 3.47Å; G505-L509 PolarHBondContact O-N 3.42Å; G505-L509 VanDerWaalsContact O-N 3.16Å; W506-L509 PolarHBondContact O-N 3.09Å; W506-L509 VanDerWaalsContact O-N 3.14Å; L509-P511 WeakPolarHBondContact O-CD 3.32Å
510L43.6Very low55.1Low113 Ų113116.3 Ų116.359%0.59265%0.645SS**SBendtrans-95.3112.1171.9-72171.7000110W506W506-L510 PolarHBondContact O-N 2.94Å
511P39.7Very low51.9Low112 Ų112121 Ų12173%0.72768%0.682SS**  trans-62.3139.3169.9-18.431.8000110.3L509 S513L509-P511 WeakPolarHBondContact O-CD 3.32Å; P511-S513 PolarHBondContact O-N 3.39Å
512W37.4Very low48.9Very low265 Ų265119.1 Ų119.1100%1.00468%0.683SS**  trans-64.596.7169-83.9-18.1000110.5
513S35Very low46Very low116 Ų116117.9 Ų117.981%0.81170%0.695SS**  trans-103.577173.566.40000111.3P511P511-S513 PolarHBondContact O-N 3.39Å
514G39.3Very low43Very low69 Ų69124.5 Ų124.571%0.71173%0.731SS**SBendtrans8796.2157.400000117.7
515L32.1Very low40.4Very low176 Ų176124.4 Ų124.492%0.92174%0.744SS**SBend-162.8116120-107165.6000110.9
516S30.9Very low38.3Very low112 Ų112129.1 Ų129.178%0.78377%0.769SS**  trans48.1107.1173.4-143.80000118.5
517E37.1Very low36.3Very low196 Ų196131.4 Ų131.492%0.91679%0.786SS**  trans-61.5150.7142.2-63.7179.7126.500109.3
518G32.3Very low34.6Very low64 Ų64134.4 Ų134.466%0.6680%0.8SS**  trans172.387.9-178.100000114.8
519T31.5Very low33.1Very low154 Ų154134.5 Ų134.595%0.94580%0.801SS**  trans75.7123.2178.4-24.70000114.3
520G30.1Very low32.2Very low77 Ų77134.8 Ų134.879%0.79480%0.803SS**  trans-90.6160.4-173.300000114.8
521S27.3Very low31.5Very low127 Ų127136.7 Ų136.789%0.88881%0.814SS**  trans-96.3120.1166.6-176.80000109.6S523S521-S523 PolarHBondContact O-N 2.91Å
522S28.2Very low31.3Very low97 Ų97138 Ų13868%0.67882%0.819SS**  trans-80.6113.3173.954.50000110.5N524S522-N524 PolarHBondContact O-N 3.38Å
523S30.8Very low30.9Very low108 Ų108132 Ų13276%0.75581%0.807SS**  trans-72.3122.5170-172.90000110S521S521-S523 PolarHBondContact O-N 2.91Å
524N26.8Very low30.7Very low149 Ų149133 Ų13380%0.79780%0.804SS**  trans-85.4112.1177.1-71.8-45.8000110.8S522S522-N524 PolarHBondContact O-N 3.38Å
525T30.3Very low30.3Very low123 Ų123133.2 Ų133.276%0.75579%0.794SS**  trans-134128.7159.441.50000108.5
526P31.6Very low30.2Very low130 Ų130131.6 Ų131.684%0.84479%0.786SS**  trans-89.3133.9-175.134-32.7000112.1
527E26.9Very low30.2Very low196 Ų196132.2 Ų132.292%0.91678%0.78SS**  trans-149.7170.9156.6-144.5158.1-168.100109.2
528E27Very low29.8Very low174 Ų174129.6 Ų129.681%0.81377%0.772SS**  trans-96.5172.6-149.4-58.5-175.7111.600116.7
529T29.2Very low29.6Very low123 Ų123130 Ų13076%0.75577%0.769SS**  trans83.9133.1152.2420000122.6
530D29.6Very low29.4Very low150 Ų150127.7 Ų127.780%0.80276%0.759SS**  trans82.3139.1145.1-61.33.9000122.3
531D29.4Very low29.3Very low152 Ų152128.6 Ų128.681%0.81375%0.754SS**  trans-74161.3-166.1-55.1-71.2000114.7
532V33.7Very low29.3Very low139 Ų139127.3 Ų127.384%0.84275%0.745SS**  175.8146108.9149.60000111
533D29.1Very low29.2Very low141 Ų141127 Ų12775%0.75475%0.748SS**  trans-56.3164.7172.3-54.9-72.7000112.2
534N31.3Very low29Very low137 Ų137126.8 Ų126.873%0.73375%0.746SS**  cis-174.2157.739.4-156-4.7000113.2
535S32.3Very low29Very low73 Ų73126.3 Ų126.351%0.5175%0.749SS.*  trans55.6131140.266.40000122.3
536N29.6Very low28.8Very low142 Ų142124.4 Ų124.476%0.75975%0.745SS**  trans78.6149135.8-64.6-2.8000120
537L31.3Very low29.4Very low124 Ų124122.8 Ų122.865%0.64974%0.735SS**  cis-172.8147.4-28.2-110.3174.8000104.1
538D27.6Very low29.4Very low142 Ų142125.1 Ų125.176%0.75974%0.735SS**  trans58148.8147.9-66.2-12.5000121.5
539A27.9Very low29.4Very low72 Ų72121.5 Ų121.560%0.59574%0.735SS**  cis-164.8-178.3-19.500000109
540S27.5Very low29.1Very low105 Ų105118.9 Ų118.973%0.73473%0.733SS**  trans29.8137.9138.763.90000121.5
541S27.9Very low29.7Very low97 Ų97118 Ų11868%0.67874%0.735SS**  cis-178.1157.7-5.247.90000111.1
542S27.1Very low29.5Very low100 Ų100114.4 Ų114.470%0.69973%0.727SS**  trans57.2134.6137.268.10000121.8
543A26.6Very low29.1Very low91 Ų91114 Ų11475%0.75273%0.725SS**  trans76.1146.2136.500000118.5
544S25.6Very low28.9Very low102 Ų102112.1 Ų112.171%0.71372%0.723SS**  cis-169.7-162.5-16.850.60000109.1
545V27.3Very low28.6Very low139 Ų139113.3 Ų113.384%0.84273%0.728SS**  trans81.7114164.8-172.40000116.2
546A26.1Very low28.5Very low83 Ų83116.6 Ų116.669%0.68674%0.74SS**  trans-98.2-161.6159.100000107.7
547P44.9Very low28.7Very low97 Ų97115 Ų11563%0.6374%0.737SS**  cis-142.2-162.8-0.539.9-17.5000114.9
548W27.5Very low28.5Very low244 Ų244114.9 Ų114.992%0.92474%0.741SS**  trans95.2145144-77-5.3000122.8
549A25.4Very low28.7Very low98 Ų98115.5 Ų115.581%0.8174%0.74SS**  trans75124.3151.700000120.6
550G23.8Very low28.8Very low69 Ų69119 Ų11971%0.71175%0.748SS**  trans-86.6-151.2146.500000110.5
551P42.3Very low28.8Very low130 Ų130117.8 Ų117.884%0.84475%0.752SS**  cis-142.9-152.82640.6-18.3000114.2
552A25.7Very low28.9Very low78 Ų78123 Ų12365%0.64577%0.766SS**  trans85.797.9148.900000121.7
553T25.5Very low28.9Very low131 Ų131122 Ų12280%0.80477%0.771SS**  41.1118.5123.136.30000123.2
554S24.4Very low28.8Very low100 Ų100129.6 Ų129.670%0.69978%0.78SS**  111.2147.1107.681.70000122.7
555L25.5Very low28.9Very low162 Ų162132 Ų13285%0.84878%0.784SS**  trans88.3147.1151.5-73.1165.2000123.4
556L28.4Very low28.7Very low143 Ų143134.4 Ų134.475%0.74979%0.786SS**  trans-64.8165.5-172.6-76.5149.5000116.2
557P33.9Very low28.7Very low107 Ų107135.8 Ų135.870%0.69579%0.786SS**  -120161.294.91.520.5000112.2
558T27.4Very low27.7Very low122 Ų122138.9 Ų138.975%0.74880%0.796SS**  60.3140.851.543.50000114.9
559E31.4Very low27.5Very low156 Ų156135.4 Ų135.473%0.72979%0.791SS**  cis-158161.314.1-134.6-171156.700113.8
560N30.1Very low27.5Very low145 Ų145134 Ų13478%0.77579%0.787SS**  trans54.7144.1149.3-63-22.7000125.6
561G27.3Very low27.5Very low79 Ų79142.6 Ų142.681%0.81480%0.798SS**  trans170.499.6165.800000113.4
562E30.1Very low26.7Very low208 Ų208145.4 Ų145.497%0.97280%0.8SS**  trans-86.8154.3-176.3-60.7-175.3108.700114.2
563G26.9Very low26.8Very low77 Ų77145.7 Ų145.779%0.79480%0.802SS**  trans-146.9-6.7-167.700000121.4
564R25.7Very low26.7Very low252 Ų252146.7 Ų146.795%0.95180%0.803SS**  trans64144.8169.6-160.8174.4-171.1165.14.2119.3
565L26.4Very low26.8Very low152 Ų152147.4 Ų147.480%0.79681%0.808SS**  trans-86.1161177.2-57.697.2000114
566Q24.9Very low26.9Very low189 Ų189144.6 Ų144.688%0.88380%0.802SS**  trans-141.6150.5142.3-123.2177.619.700112.1
567V25.1Very low26.8Very low113 Ų113142.9 Ų142.969%0.68580%0.802SS**  trans-130.5135.3-178.61720000108.3
568I24.1Very low26.5Very low162 Ų162147.4 Ų147.483%0.83181%0.814SS**  trans-134.4138.1164.4-61.4-177.1000108.1
569M23.8Very low26.4Very low170 Ų170146.1 Ų146.184%0.83782%0.815SS**  trans-128.7127.7-174.3-115.9-88.5-77.600110.1
570G24.7Very low26.2Very low70 Ų70144.7 Ų144.772%0.72282%0.821SS**  trans69.5131.214700000120.6
571R24.7Very low26.1Very low248 Ų248144.6 Ų144.694%0.93683%0.825SS**  -157.1150.8120.7-125.9175.3175.8167.5-1.9112.9
572E25.6Very low26Very low189 Ų189143.9 Ų143.988%0.88382%0.818SS**  trans-100.6161.5175.6-56.3149.7118.200110.4
573A26.8Very low26.2Very low84 Ų84140 Ų14069%0.69481%0.811SS**  173136128.500000112.4
574D23.4Very low26.4Very low153 Ų153144 Ų14482%0.81881%0.808SS**  trans50.4128.4139.2-56-24.3000121.4
575S27Very low26.9Very low115 Ų115137 Ų13780%0.80480%0.796SS**  73.913872.1-142.80000112.6
576S26.6Very low27.3Very low103 Ų103136 Ų13672%0.7280%0.798SS**  cis-149.8-163.613.368.80000112.9
577S27Very low27.8Very low107 Ų107134.9 Ų134.975%0.74879%0.791SS**  trans-63.2148.7-177.653.40000117
578E27.2Very low28.2Very low202 Ų202137.3 Ų137.394%0.94480%0.8SS**  trans-150.5164.7137-135.4170-14700111.3
579A25.7Very low28.5Very low94 Ų94134.2 Ų134.278%0.77780%0.798SS**  trans-129.8144.5-169.300000112.8
580C26.4Very low29Very low127 Ų127132.3 Ų132.386%0.85880%0.797SS**  trans-149.3123166.4-105.40000113.8
581V28.1Very low29.4Very low143 Ų143138.3 Ų138.387%0.86781%0.806SS**  trans10.6119.7146.9-1700000117.4
582G26.5Very low30Very low63 Ų63132 Ų13265%0.64980%0.795SS**PPolyproline II helixtrans-98166.616800000114
583P32.8Very low30.4Very low127 Ų127127.7 Ų127.783%0.82579%0.785SS**PPolyproline II helixtrans-88.5156.4170.735.4-33.2000112.9
584E31Very low30.8Very low160 Ų160134.6 Ų134.675%0.74879%0.794SS**PPolyproline II helixtrans-66.8137.1176-73.3-171.3121.500112.9K587E584-K587 IonicContact OE1-NZ 3.63Å
585P37.1Very low31.5Very low106 Ų106135.6 Ų135.669%0.68879%0.794SS**PPolyproline II helixtrans-81.7158.4153.734.6-31.9000111.1
586P33.7Very low32.7Very low130 Ų130137.1 Ų137.184%0.84479%0.791SS**PPolyproline II helixtrans-70.6157.9-173.229-36.1000114.2
587K36Very low33.8Very low167 Ų167141.2 Ų141.273%0.72680%0.799SS**PPolyproline II helixtrans-82.5170.9176.6-69.1167.1-176.3157.30111.8E584E584-K587 IonicContact OE1-NZ 3.63Å
588D33Very low35.5Very low164 Ų164139.6 Ų139.688%0.87778%0.781SS**  trans71.689.8173-59.7-19.3000118.4
589A32.2Very low37.7Very low97 Ų97135 Ų13580%0.80276%0.763SS**  trans-161.96614500000112.3
590T33.8Very low40.2Very low130 Ų130136.1 Ų136.180%0.79875%0.752SS**  trans24.4107.3160.854.20000119.1T592T590-T592 PolarHBondContact O-N 2.98Å
591E33.3Very low42.4Very low196 Ų196133.4 Ų133.492%0.91674%0.739SS**  trans-63.7114.5160.7-67.4-174.8122.400110.8S593E591-S593 VanDerWaalsContact C-N 3.27Å; E591-S593 PolarHBondContact O-N 3.34Å
592T37Very low44.6Very low114 Ų114132.8 Ų132.870%0.69972%0.724SS**  trans-76.181.6169.249.50000110.3T590 W594T590-T592 PolarHBondContact O-N 2.98Å; T592-W594 PolarHBondContact O-N 3.07Å
593S33Very low47.2Very low99 Ų99136 Ų13669%0.69272%0.717SS**  trans-59.7113.6168.8-177.80000110.1E591 Q595E591-S593 VanDerWaalsContact C-N 3.27Å; E591-S593 PolarHBondContact O-N 3.34Å; S593-Q595 VanDerWaalsContact C-N 3.28Å; S593-Q595 PolarHBondContact O-N 2.74Å
594W35.1Very low49.4Very low230 Ų230135.3 Ų135.387%0.87170%0.701SS**  trans-75.680.2177-71.288.7000110.2T592 I596T592-W594 PolarHBondContact O-N 3.07Å; W594-I596 PolarHBondContact O-N 3.14Å
595Q39.6Very low51.7Low174 Ų174131.6 Ų131.681%0.81369%0.686SS**  trans-63.5107.2169.4-73.4-174.3-40.600109.6S593 E597S593-Q595 VanDerWaalsContact C-N 3.28Å; S593-Q595 PolarHBondContact O-N 2.74Å; Q595-E597 PolarHBondContact O-N 3.13Å; Q595-E597 VanDerWaalsContact O-N 3.11Å
596I51.9Low53.7Low146 Ų146131.3 Ų131.375%0.74968%0.677SS**  trans-76.398.1175.9-57.1176.7000108.2W594 I598W594-I596 PolarHBondContact O-N 3.14Å; I596-I598 HydrophobicContact CG2-CG1 4.17Å; I596-I598 PolarHBondContact O-N 3.23Å
597E48.4Very low56.1Low190 Ų190129.8 Ų129.889%0.88866%0.658SS**  trans-66.693.7169.7-72.8-162.5123.900110.7Q595 N599Q595-E597 PolarHBondContact O-N 3.13Å; Q595-E597 VanDerWaalsContact O-N 3.11Å; E597-N599 PolarHBondContact O-N 3.06Å
598I63.8Low58.2Low73 Ų73124.5 Ų124.537%0.37464%0.638SS.*  trans-73.7111167.1-58.3177.7000107.4I596 K602 R603I596-I598 HydrophobicContact CG2-CG1 4.17Å; I596-I598 PolarHBondContact O-N 3.23Å; I598-K602 HydrophobicContact CG2-CB 3.98Å; I598-K602 HydrophobicContact CG2-CD 4.29Å; I598-K602 HydrophobicContact CG2-CG 4.04Å; I598-R603 HydrophobicContact CG2-CB 4.44Å
599N72.9Confident60.5Low104 Ų104119.8 Ų119.856%0.55661%0.612SS**  trans-61.1156.1-178.385.87.6000112.6E597 A601 K602 R603E597-N599 PolarHBondContact O-N 3.06Å; N599-A601 VanDerWaalsContact C-N 3.29Å; N599-A601 PolarHBondContact O-N 3.39Å; N599-A601 PolarHBondContact OD1-N 3.14Å; N599-K602 PolarHBondContact O-N 3.12Å; N599-K602 VanDerWaalsContact OD1-CB 3.26Å; N599-K602 WeakPolarHBondContact OD1-CB 3.36Å; N599-K602 PolarHBondContact OD1-N 3.4Å; N599-R603 PolarHBondContact O-N 2.89Å
600E78.1Confident62.8Low119 Ų119120 Ų12056%0.55660%0.599SS**Hα-helixtrans-51.4-44.6-173.9-163.767.7-169.300113.1R603 K604E600-R603 PolarHBondContact O-N 3.28Å; E600-K604 WeakPolarHBondContact O-CG 3.41Å; E600-K604 PolarHBondContact O-N 3.21Å
601A72.8Confident64.9Low70 Ų70116.9 Ų116.958%0.57958%0.577SS**Hα-helixtrans-67.2-38.2-179.900000112.5N599 L605N599-A601 VanDerWaalsContact C-N 3.29Å; N599-A601 PolarHBondContact O-N 3.39Å; N599-A601 PolarHBondContact OD1-N 3.14Å; A601-L605 WeakPolarHBondContact O-CB 3.48Å; A601-L605 PolarHBondContact O-N 3.19Å
602K74.9Confident67Low129 Ų129112.4 Ų112.456%0.56155%0.553SS**Hα-helixtrans-72.9-31.6177.8-170.8172.7-179.3-176.80112.1I598 N599 M606I598-K602 HydrophobicContact CG2-CB 3.98Å; I598-K602 HydrophobicContact CG2-CD 4.29Å; I598-K602 HydrophobicContact CG2-CG 4.04Å; N599-K602 PolarHBondContact O-N 3.12Å; N599-K602 VanDerWaalsContact OD1-CB 3.26Å; N599-K602 WeakPolarHBondContact OD1-CB 3.36Å; N599-K602 PolarHBondContact OD1-N 3.4Å; K602-M606 WeakPolarHBondContact O-CG 3.29Å; K602-M606 PolarHBondContact O-N 2.89Å; K602-M606 VanDerWaalsContact O-N 3.1Å
603R80.1Confident69Low131 Ų131114.6 Ų114.649%0.49455%0.552SS.*Hα-helixtrans-63.6-53.2169.8-171.2-172.5-54.6-136.41.7110.8I598 N599 E600 L605 M606 E607I598-R603 HydrophobicContact CG2-CB 4.44Å; N599-R603 PolarHBondContact O-N 2.89Å; E600-R603 PolarHBondContact O-N 3.28Å; R603-L605 VanDerWaalsContact C-N 3.3Å; R603-L605 PolarHBondContact O-N 3.47Å; R603-M606 WeakPolarHBondContact O-CA 3.43Å; R603-M606 WeakPolarHBondContact O-CB 3.37Å; R603-M606 PolarHBondContact O-N 2.65Å; R603-E607 PolarHBondContact O-N 2.76Å
604K79.9Confident71.6Confident113 Ų113114.9 Ų114.949%0.49154%0.543SS..Hα-helixtrans-59.3-37.8176.8-71.6-176.7179.1-175.60112.8E600 M606 E607 N608E600-K604 WeakPolarHBondContact O-CG 3.41Å; E600-K604 PolarHBondContact O-N 3.21Å; K604-M606 PolarHBondContact O-N 3.4Å; K604-E607 PolarHBondContact O-N 3.48Å; K604-N608 WeakPolarHBondContact O-CB 3.18Å; K604-N608 VanDerWaalsContact O-CG 3.26Å; K604-N608 PolarHBondContact O-N 3.26Å; K604-N608 PolarHBondContact O-OD1 3.31Å
605L78.9Confident73.7Confident81 Ų81112.8 Ų112.842%0.42454%0.543SS..Hα-helixtrans-63.8-39173.8-17761.4000112.2A601 R603 I609 L622A601-L605 WeakPolarHBondContact O-CB 3.48Å; A601-L605 PolarHBondContact O-N 3.19Å; R603-L605 VanDerWaalsContact C-N 3.3Å; R603-L605 PolarHBondContact O-N 3.47Å; L605-I609 HydrophobicContact CD1-CD1 4.12Å; L605-I609 HydrophobicContact CD1-CG1 4.38Å; L605-I609 HydrophobicContact CG-CD1 3.94Å; L605-I609 WeakPolarHBondContact O-CB 3.46Å; L605-I609 WeakPolarHBondContact O-CD1 3.47Å; L605-I609 WeakPolarHBondContact O-CG1 3.44Å; L605-I609 PolarHBondContact O-N 3Å; L605-L622 HydrophobicContact CD1-CD1 4.34Å
606M80.2Confident75.5Confident101 Ų101111 Ų11150%0.49853%0.532SS..Hα-helixtrans-67.5-37.7174.9-74.8172.253.100112.5K602 R603 K604 L610K602-M606 WeakPolarHBondContact O-CG 3.29Å; K602-M606 PolarHBondContact O-N 2.89Å; K602-M606 VanDerWaalsContact O-N 3.1Å; R603-M606 WeakPolarHBondContact O-CA 3.43Å; R603-M606 WeakPolarHBondContact O-CB 3.37Å; R603-M606 PolarHBondContact O-N 2.65Å; K604-M606 PolarHBondContact O-N 3.4Å; M606-L610 PolarHBondContact O-N 3.2Å; M606-L610 VanDerWaalsContact O-N 3.13Å
607E82.3Confident76.7Confident98 Ų98105.6 Ų105.646%0.45851%0.505SS..Hα-helixtrans-66.2-46.3174.3-70.8164.1179.400111.3R603 K604 I609 L610 L611R603-E607 PolarHBondContact O-N 2.76Å; K604-E607 PolarHBondContact O-N 3.48Å; E607-I609 VanDerWaalsContact C-N 3.34Å; E607-I609 PolarHBondContact O-N 3.37Å; E607-L610 WeakPolarHBondContact O-CB 3.41Å; E607-L610 PolarHBondContact O-N 3.14Å; E607-L610 VanDerWaalsContact O-N 3.09Å; E607-L611 WeakPolarHBondContact O-CG 3.48Å; E607-L611 PolarHBondContact O-N 2.97Å
608N80.8Confident78Confident56 Ų56101.5 Ų101.530%0.29949%0.489SS..Hα-helixtrans-64.3-35.8176.4-69.110.6000112.3K604 L610 L611 Y612 L617 L622K604-N608 WeakPolarHBondContact O-CB 3.18Å; K604-N608 VanDerWaalsContact O-CG 3.26Å; K604-N608 PolarHBondContact O-N 3.26Å; K604-N608 PolarHBondContact O-OD1 3.31Å; N608-L610 VanDerWaalsContact C-N 3.3Å; N608-L610 PolarHBondContact O-N 3.35Å; N608-L611 PolarHBondContact O-N 3.03Å; N608-Y612 WeakPolarHBondContact O-CB 3.44Å; N608-Y612 PolarHBondContact O-N 2.99Å; N608-L617 HydrophobicContact CB-CD2 4.04Å; N608-L622 HydrophobicContact CB-CD1 3.57Å
609I80.7Confident78.3Confident64 Ų64100.3 Ų100.333%0.32849%0.487SS..Hα-helixtrans-66.3-31.1173.1-73.5167.3000111.9L605 E607 K613 L622L605-I609 HydrophobicContact CD1-CD1 4.12Å; L605-I609 HydrophobicContact CD1-CG1 4.38Å; L605-I609 HydrophobicContact CG-CD1 3.94Å; L605-I609 WeakPolarHBondContact O-CB 3.46Å; L605-I609 WeakPolarHBondContact O-CD1 3.47Å; L605-I609 WeakPolarHBondContact O-CG1 3.44Å; L605-I609 PolarHBondContact O-N 3Å; E607-I609 VanDerWaalsContact C-N 3.34Å; E607-I609 PolarHBondContact O-N 3.37Å; I609-K613 WeakPolarHBondContact O-CG 3.36Å; I609-K613 PolarHBondContact O-N 2.85Å; I609-L622 HydrophobicContact CG1-CD1 4.1Å; I609-L622 HydrophobicContact CG1-CD2 4.31Å
610L81Confident78.3Confident103 Ų103100.7 Ų100.754%0.53949%0.488SS..Hα-helixtrans-71.3-45.9171.5-79.7163.5000111.1M606 E607 N608 Y612 K613 E614M606-L610 PolarHBondContact O-N 3.2Å; M606-L610 VanDerWaalsContact O-N 3.13Å; E607-L610 WeakPolarHBondContact O-CB 3.41Å; E607-L610 PolarHBondContact O-N 3.14Å; E607-L610 VanDerWaalsContact O-N 3.09Å; N608-L610 VanDerWaalsContact C-N 3.3Å; N608-L610 PolarHBondContact O-N 3.35Å; L610-Y612 VanDerWaalsContact C-N 3.33Å; L610-Y612 PolarHBondContact O-N 2.83Å; L610-K613 CarbonylContact O-C 3.58Å; L610-K613 WeakPolarHBondContact O-CB 3.48Å; L610-K613 PolarHBondContact O-N 2.9Å; L610-E614 PolarHBondContact O-N 3.46Å
611L79.3Confident77.9Confident63 Ų63101.4 Ų101.433%0.3349%0.491SS..Hα-helixtrans-60.6-39.6177.3-68.6169.9000112.6E607 N608 E614 E615 K616 L617E607-L611 WeakPolarHBondContact O-CG 3.48Å; E607-L611 PolarHBondContact O-N 2.97Å; N608-L611 PolarHBondContact O-N 3.03Å; L611-E614 CarbonylContact O-C 3.5Å; L611-E614 PolarHBondContact O-N 3.45Å; L611-E615 PolarHBondContact O-N 3.17Å; L611-K616 HydrophobicContact CB-CB 4.39Å; L611-K616 HydrophobicContact CD2-CB 4.23Å; L611-K616 HydrophobicContact CD2-CD 4.05Å; L611-K616 PolarHBondContact O-N 3.07Å; L611-L617 HydrophobicContact CB-CB 4.17Å; L611-L617 HydrophobicContact CB-CD1 4.05Å; L611-L617 HydrophobicContact CD1-CD1 4.08Å; L611-L617 PolarHBondContact O-N 2.83Å
612Y76.6Confident77.8Confident103 Ų10399 Ų9940%0.40447%0.468SS..Hα-helixtrans-62.7-39.7172.5179.1-94.1000112.5N608 L610 E614 E615 L617 L622N608-Y612 WeakPolarHBondContact O-CB 3.44Å; N608-Y612 PolarHBondContact O-N 2.99Å; L610-Y612 VanDerWaalsContact C-N 3.33Å; L610-Y612 PolarHBondContact O-N 2.83Å; Y612-E614 VanDerWaalsContact C-N 3.25Å; Y612-E614 PolarHBondContact O-N 3.45Å; Y612-E615 PolarHBondContact O-N 3.25Å; Y612-E615 VanDerWaalsContact O-N 3.14Å; Y612-L617 VanDerWaalsContact CD2-O 3.29Å; Y612-L617 WeakPolarHBondContact CD2-O 3.39Å; Y612-L622 HydrophobicContact CD1-CD2 4.14Å; Y612-L622 HydrophobicContact CD2-CD2 4Å; Y612-L622 HydrophobicContact CG-CD2 3.69Å
613K78.6Confident77.6Confident160 Ų160100.3 Ų100.370%0.69648%0.475SS*.Hα-helixtrans-70.8-18.5174.6-76.6177.8176.7-175.30114.2I609 L610 E615I609-K613 WeakPolarHBondContact O-CG 3.36Å; I609-K613 PolarHBondContact O-N 2.85Å; L610-K613 CarbonylContact O-C 3.58Å; L610-K613 WeakPolarHBondContact O-CB 3.48Å; L610-K613 PolarHBondContact O-N 2.9Å; K613-E615 VanDerWaalsContact C-N 3.34Å
614E87.1Confident77.1Confident104 Ų10495.7 Ų95.749%0.48647%0.468SS..THydrogen-bonded Turntrans-94.310.1172.1-67.7-177.8-173.600112.4L610 L611 Y612 K616L610-E614 PolarHBondContact O-N 3.46Å; L611-E614 CarbonylContact O-C 3.5Å; L611-E614 PolarHBondContact O-N 3.45Å; Y612-E614 VanDerWaalsContact C-N 3.25Å; Y612-E614 PolarHBondContact O-N 3.45Å; E614-K616 HydrophobicContact CB-CD 3.97Å; E614-K616 HydrophobicContact CB-CG 4.26Å; E614-K616 PolarHBondContact O-N 2.94Å; E614-K616 WeakPolarHBondContact OE2-CE 3.17Å; E614-K616 IonicContact OE2-NZ 3.14Å; E614-K616 PolarHBondContact OE2-NZ 3.4Å
615E80.2Confident75.8Confident187 Ų18799.5 Ų99.587%0.87450%0.504SS*.THydrogen-bonded Turntrans58.525.3-178.2-57.1-179.1171.300113.7L611 Y612 K613L611-E615 PolarHBondContact O-N 3.17Å; Y612-E615 PolarHBondContact O-N 3.25Å; Y612-E615 VanDerWaalsContact O-N 3.14Å; K613-E615 VanDerWaalsContact C-N 3.34Å
616K77.8Confident75.6Confident135 Ų135100.4 Ų100.459%0.58751%0.508SS*.SBendtrans-101.3-6.1-179.3-68.9169.3-173.3169.80114.5L611 E614L611-K616 HydrophobicContact CB-CB 4.39Å; L611-K616 HydrophobicContact CD2-CB 4.23Å; L611-K616 HydrophobicContact CD2-CD 4.05Å; L611-K616 PolarHBondContact O-N 3.07Å; E614-K616 HydrophobicContact CB-CD 3.97Å; E614-K616 HydrophobicContact CB-CG 4.26Å; E614-K616 PolarHBondContact O-N 2.94Å; E614-K616 WeakPolarHBondContact OE2-CE 3.17Å; E614-K616 IonicContact OE2-NZ 3.14Å; E614-K616 PolarHBondContact OE2-NZ 3.4Å
617L77.4Confident75.4Confident34 Ų34100.4 Ų100.418%0.17851%0.508CS..SBendtrans-134.5138.3174.1-128.687.2000107.6N608 L611 Y612 E621 L622N608-L617 HydrophobicContact CB-CD2 4.04Å; L611-L617 HydrophobicContact CB-CB 4.17Å; L611-L617 HydrophobicContact CB-CD1 4.05Å; L611-L617 HydrophobicContact CD1-CD1 4.08Å; L611-L617 PolarHBondContact O-N 2.83Å; Y612-L617 VanDerWaalsContact CD2-O 3.29Å; Y612-L617 WeakPolarHBondContact CD2-O 3.39Å; L617-E621 HydrophobicContact CD2-CB 4.17Å; L617-E621 HydrophobicContact CG-CB 4.14Å; L617-L622 HydrophobicContact CD2-CB 4.28Å
618D75.4Confident75Confident103 Ų103100.5 Ų100.555%0.55151%0.511SS*.  trans-89160.5174-150.3-33.7000111.3I620 E621 L622D618-I620 VanDerWaalsContact C-N 3.27Å; D618-I620 PolarHBondContact O-N 3Å; D618-E621 PolarHBondContact N-OE2 3.11Å; D618-E621 PolarHBondContact O-N 3.25Å; D618-L622 PolarHBondContact O-N 2.65Å
619S68.8Low74.6Confident49 Ų49103.1 Ų103.134%0.34352%0.524SS..Hα-helixtrans-52.2-40.6-17953.10000113.7E621 L622 F623S619-E621 VanDerWaalsContact C-N 3.35Å; S619-L622 PolarHBondContact O-N 3.07Å; S619-F623 WeakPolarHBondContact O-CD2 3.2Å; S619-F623 PolarHBondContact O-N 3.18Å
620I73.8Confident74.3Confident111 Ų111105.6 Ų105.657%0.56954%0.536SS*.Hα-helixtrans-68.9-32178.2-61.9168.5000111.4D618 G624D618-I620 VanDerWaalsContact C-N 3.27Å; D618-I620 PolarHBondContact O-N 3Å; I620-G624 CarbonylContact O-C 3.32Å; I620-G624 VanDerWaalsContact O-C 3.32Å; I620-G624 WeakPolarHBondContact O-CA 3.08Å; I620-G624 PolarHBondContact O-N 3.44Å
621E69.5Low73.8Confident134 Ų134105.7 Ų105.763%0.62654%0.536SS*.Hα-helixtrans-79-29.2177.3-59.9-173.9132.500112.3L617 D618 S619L617-E621 HydrophobicContact CD2-CB 4.17Å; L617-E621 HydrophobicContact CG-CB 4.14Å; D618-E621 PolarHBondContact N-OE2 3.11Å; D618-E621 PolarHBondContact O-N 3.25Å; S619-E621 VanDerWaalsContact C-N 3.35Å
622L70.5Confident73.4Confident19 Ų19108.8 Ų108.810%0.09955%0.55CS.*Hα-helixtrans-75.5-37.1178.3179.760000113L605 N608 I609 Y612 L617 D618 S619L605-L622 HydrophobicContact CD1-CD1 4.34Å; N608-L622 HydrophobicContact CB-CD1 3.57Å; I609-L622 HydrophobicContact CG1-CD1 4.1Å; I609-L622 HydrophobicContact CG1-CD2 4.31Å; Y612-L622 HydrophobicContact CD1-CD2 4.14Å; Y612-L622 HydrophobicContact CD2-CD2 4Å; Y612-L622 HydrophobicContact CG-CD2 3.69Å; L617-L622 HydrophobicContact CD2-CB 4.28Å; D618-L622 PolarHBondContact O-N 2.65Å; S619-L622 PolarHBondContact O-N 3.07Å
623F71Confident73.2Confident158 Ų158109.2 Ų109.269%0.69356%0.561SS**Hα-helixtrans-114.5-13.6-172.9-62.1-65.9000114.9S619S619-F623 WeakPolarHBondContact O-CD2 3.2Å; S619-F623 PolarHBondContact O-N 3.18Å
624G69.3Low72.7Confident34 Ų34105 Ų10535%0.35155%0.55SS.*  trans90.5171.7-16900000112.8I620I620-G624 CarbonylContact O-C 3.32Å; I620-G624 VanDerWaalsContact O-C 3.32Å; I620-G624 WeakPolarHBondContact O-CA 3.08Å; I620-G624 PolarHBondContact O-N 3.44Å
625P51.9Low71.4Confident192 Ų192105.1 Ų105.1100%1.24756%0.556SS**  trans-77017434.6-36.1000113.2

Retrieved 625 of 625 residues in 854.4 ms (Link to these results)

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