A0A060YAB9_ONCMY Loading...

ATP-binding cassette sub-family E member 1

AlphaFold DB , UniProt , Accession A0A060YAB9, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110497365, Length 599 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
1M40.5Very low67.6Low244 Ų24481.3 Ų81.3100%1.20241%0.409SS*.  0118.20-76.4173.117200106.8E3M1-E3 PolarHBondContact O-N 3.27Å
2S47.2Very low68.8Low122 Ų12279.7 Ų79.785%0.85340%0.403SS*.  trans-62.5128.8175.336.80000109.2K4S2-K4 PolarHBondContact O-N 2.78Å
3E52.5Low69.6Low133 Ų13381.8 Ų81.862%0.62141%0.41SS*.  trans-53.6128.9174.1-73.4-175168.400109.4M1 N5M1-E3 PolarHBondContact O-N 3.27Å; E3-N5 VanDerWaalsContact C-N 3.34Å; E3-N5 PolarHBondContact O-N 2.76Å
4K59.2Low70.1Confident187 Ų18785.7 Ų85.781%0.81343%0.433SS*.  trans-73.591.1-178.3-168178.9-178.1-176.40108.1S2 T6 S77S2-K4 PolarHBondContact O-N 2.78Å; K4-T6 PolarHBondContact O-N 3.31Å; K4-T6 VanDerWaalsContact O-N 3.13Å; K4-S77 WeakPolarHBondContact O-CB 3.47Å
5N62.5Low70.8Confident86 Ų8684.1 Ų84.146%0.4642%0.422SS..  trans-55.9119.1177.9-71.5-17000110.6E3E3-N5 VanDerWaalsContact C-N 3.34Å; E3-N5 PolarHBondContact O-N 2.76Å
6T67.9Low71.7Confident20 Ų2079.6 Ų79.612%0.12340%0.401CS..EExtended strand (participates in β ladder)trans-78.6149.4175.850.60000109.4K4 L75 P76 E80K4-T6 PolarHBondContact O-N 3.31Å; K4-T6 VanDerWaalsContact O-N 3.13Å; T6-L75 PolarHBondContact N-O 3.17Å; T6-L75 PolarHBondContact O-N 3.41Å; T6-L75 VanDerWaalsContact O-O 3.06Å; T6-L75 PolarHBondContact OG1-O 3.19Å; T6-P76 PolarHBondContact OG1-O 3.08Å; T6-E80 HydrophobicContact CG2-CB 3.89Å; T6-E80 HydrophobicContact CG2-CG 4.48Å; T6-E80 WeakPolarHBondContact CG2-OE2 3.42Å
7R80.4Confident72.6Confident77 Ų7781.2 Ų81.229%0.29141%0.405SS..EExtended strand (participates in β ladder)trans-130.1136.4-172.1-60.1175.5-179.3118.63.2109.5C55 I56 V73R7-C55 WeakPolarHBondContact CD-O 3.46Å; R7-C55 PolarHBondContact NH1-O 3.11Å; R7-I56 PolarHBondContact NE-O 2.84Å; R7-I56 VanDerWaalsContact NH1-CA 3.26Å; R7-I56 PolarHBondContact NH2-O 3.08Å; R7-V73 WeakPolarHBondContact CA-O 3.11Å
8I79.4Confident73.3Confident2 Ų277 Ų771%0.0138%0.384CS..EExtended strand (participates in β ladder)trans-106127.9166.1-71.9168.9000108I10 I72 V73 L75 K93 Y296I8-I10 HydrophobicContact CB-CD1 4.35Å; I8-I10 HydrophobicContact CG2-CD1 3.39Å; I8-I10 HydrophobicContact CG2-CG1 3.55Å; I8-I72 WeakPolarHBondContact O-CA 3.37Å; I8-V73 PolarHBondContact N-O 2.72Å; I8-V73 PolarHBondContact O-N 3.33Å; I8-L75 HydrophobicContact CB-CD1 4.24Å; I8-L75 HydrophobicContact CD1-CD1 3.08Å; I8-L75 HydrophobicContact CD1-CG 4.26Å; I8-L75 HydrophobicContact CG1-CD1 3.43Å; I8-L75 VanDerWaalsContact CG1-CD1 3.43Å; I8-K93 HydrophobicContact CD1-CB 4.22Å; I8-K93 HydrophobicContact CD1-CD 3.63Å; I8-K93 HydrophobicContact CD1-CG 4.11Å; I8-K93 HydrophobicContact CG1-CD 3.98Å; I8-Y296 HydrophobicContact CD1-CG 4.38Å
9A84.3Confident73.9Confident2 Ų281.8 Ų81.82%0.01740%0.402CS..EExtended strand (participates in β ladder)trans-101.8119.5165.400000107.8I50 E52 N90A9-I50 HydrophobicContact CB-CB 3.78Å; A9-I50 HydrophobicContact CB-CD1 4.26Å; A9-I50 HydrophobicContact CB-CG2 3.55Å; A9-E52 HydrophobicContact CB-CG 4.4Å; A9-N90 WeakPolarHBondContact O-CA 3.48Å; A9-N90 VanDerWaalsContact O-CB 3.26Å; A9-N90 WeakPolarHBondContact O-CB 3.32Å; A9-N90 PolarHBondContact O-ND2 3.48Å
10I84.6Confident74.5Confident16 Ų1685.8 Ų85.88%0.08242%0.417CS..EExtended strand (participates in β ladder)trans-106.7137.9174.6-61.4113.5000109.5I8 S71 V73 N90 A295I8-I10 HydrophobicContact CB-CD1 4.35Å; I8-I10 HydrophobicContact CG2-CD1 3.39Å; I8-I10 HydrophobicContact CG2-CG1 3.55Å; I10-S71 PolarHBondContact N-O 2.68Å; I10-S71 PolarHBondContact O-N 3.42Å; I10-V73 HydrophobicContact CD1-CG2 4.25Å; I10-N90 VanDerWaalsContact CA-O 3.31Å; I10-N90 WeakPolarHBondContact CA-O 3.25Å; I10-A295 HydrophobicContact CD1-CB 3.21Å; I10-A295 HydrophobicContact CG1-CB 4.02Å
11V85.4Confident74.9Confident5 Ų582.3 Ų82.33%0.0340%0.401CS..EExtended strand (participates in β ladder)trans-119.8117174.8-174.40000108.4H13 C16 I47 I50 L70 N90V11-H13 PolarHBondContact O-N 3.13Å; V11-C16 HydrophobicContact CG1-CB 3.95Å; V11-I47 HydrophobicContact CB-CD1 4.42Å; V11-I47 HydrophobicContact CB-CG1 4.49Å; V11-I47 HydrophobicContact CG1-CD1 3.83Å; V11-I47 HydrophobicContact CG1-CG1 3.63Å; V11-I50 HydrophobicContact CG2-CD1 4.13Å; V11-I50 HydrophobicContact CG2-CG1 4.34Å; V11-L70 HydrophobicContact CB-CD2 4.3Å; V11-L70 HydrophobicContact CG1-CD2 3.99Å; V11-L70 HydrophobicContact CG2-CD2 3.69Å; V11-N90 HydrophobicContact CB-CB 4.19Å; V11-N90 HydrophobicContact CG2-CB 3.77Å; V11-N90 PolarHBondContact N-O 2.86Å
12N81.7Confident77.1Confident62 Ų6279.8 Ų79.833%0.33238%0.378SS..  trans-76.8117.1174.6-177.8-51.3000109.5D14 K15 C16 A69N12-D14 VanDerWaalsContact C-N 3.32Å; N12-D14 PolarHBondContact O-N 3.08Å; N12-D14 PolarHBondContact OD1-N 3.2Å; N12-K15 HydrophobicContact CB-CB 4.33Å; N12-K15 PolarHBondContact O-N 2.81Å; N12-K15 PolarHBondContact OD1-N 3.08Å; N12-K15 VanDerWaalsContact OD1-N 3.14Å; N12-C16 VanDerWaalsContact O-CB 3.22Å; N12-C16 WeakPolarHBondContact O-CB 3.2Å; N12-C16 PolarHBondContact O-N 3.15Å; N12-A69 PolarHBondContact N-O 2.9Å
13H79.4Confident79.1Confident108 Ų10875.9 Ų75.950%0.535%0.347SS..THydrogen-bonded Turntrans-62.1-36-176.2-71-99.3000113.2V11 I47V11-H13 PolarHBondContact O-N 3.13Å; H13-I47 HydrophobicContact CB-CD1 4.12Å; H13-I47 WeakPolarHBondContact CE1-CD1 3.44Å; H13-I47 VanDerWaalsContact CG-CD1 3.43Å; H13-I47 WeakPolarHBondContact ND1-CD1 3.36Å
14D76.2Confident80.9Confident136 Ų13672.5 Ų72.573%0.72733%0.331SS*.THydrogen-bonded Turntrans-76.2-35.4-175.1-56.5-40.1000112N12N12-D14 VanDerWaalsContact C-N 3.32Å; N12-D14 PolarHBondContact O-N 3.08Å; N12-D14 PolarHBondContact OD1-N 3.2Å
15K81.6Confident82.3Confident62 Ų6264 Ų6427%0.2730%0.295SS..THydrogen-bonded Turntrans-83.3-28.4179.1-63.4-174.1179.6-173.60112.5N12 K17 F67 A69 S453N12-K15 HydrophobicContact CB-CB 4.33Å; N12-K15 PolarHBondContact O-N 2.81Å; N12-K15 PolarHBondContact OD1-N 3.08Å; N12-K15 VanDerWaalsContact OD1-N 3.14Å; K15-K17 PolarHBondContact O-N 3.45Å; K15-F67 VanDerWaalsContact O-CB 3.29Å; K15-F67 WeakPolarHBondContact O-CB 3.46Å; K15-A69 HydrophobicContact CB-CB 3.65Å; K15-S453 PolarHBondContact NZ-O 3.13Å
16C85.1Confident83.7Confident12 Ų1263.2 Ų63.28%0.08129%0.287CS..  trans-74.8110.7-173.9-163.70000111.8V11 N12 P18 I47 A69V11-C16 HydrophobicContact CG1-CB 3.95Å; N12-C16 VanDerWaalsContact O-CB 3.22Å; N12-C16 WeakPolarHBondContact O-CB 3.2Å; N12-C16 PolarHBondContact O-N 3.15Å; C16-P18 WeakPolarHBondContact O-CD 3.32Å; C16-I47 HydrophobicContact CB-CG1 4.23Å; C16-A69 HydrophobicContact CB-CB 3.91Å
17K86.3Confident84.7Confident107 Ų10767.5 Ų67.547%0.46530%0.304SS..  trans-124.379.2177.9-63.9178.9-175.7172.90111.4K15 K19 K20 C21 F67K15-K17 PolarHBondContact O-N 3.45Å; K17-K19 PolarHBondContact O-N 3.24Å; K17-K19 VanDerWaalsContact O-N 3.16Å; K17-K20 HydrophobicContact CB-CB 4.38Å; K17-K20 PolarHBondContact O-N 2.85Å; K17-C21 PolarHBondContact O-N 2.95Å; K17-C21 VanDerWaalsContact O-N 3.14Å; K17-F67 HydrophobicContact CB-CD2 4.24Å; K17-F67 HydrophobicContact CB-CE2 3.92Å; K17-F67 HydrophobicContact CB-CZ 4.38Å
18P85.8Confident85.2Confident5 Ų564.8 Ų64.83%0.03230%0.297CS..THydrogen-bonded Turntrans-53.3-36.3-176.8-30.237.8000114.9C16 K20 C21 V41 S45 V48C16-P18 WeakPolarHBondContact O-CD 3.32Å; P18-K20 VanDerWaalsContact C-N 3.32Å; P18-K20 PolarHBondContact O-N 3.21Å; P18-C21 VanDerWaalsContact CA-SG 3.54Å; P18-V41 HydrophobicContact CB-CG2 3.77Å; P18-V41 HydrophobicContact CG-CG2 4.05Å; P18-S45 WeakPolarHBondContact CG-O 3.33Å; P18-V48 HydrophobicContact CG-CG2 4.37Å
19K85.3Confident85.8Confident169 Ų16965 Ų6574%0.73530%0.298SS*.THydrogen-bonded Turntrans-61.4-36177.2-70.6-177.5-179.7-174.10113.3K17 A43K17-K19 PolarHBondContact O-N 3.24Å; K17-K19 VanDerWaalsContact O-N 3.16Å; K19-A43 WeakPolarHBondContact CG-O 3.37Å
20K84.1Confident86.1Confident160 Ų16066.6 Ų66.670%0.69631%0.309SS*.THydrogen-bonded Turntrans-96.8-18.2-174.4-63.5-171.6178.9-172.50113.3K17 P18 F67K17-K20 HydrophobicContact CB-CB 4.38Å; K17-K20 PolarHBondContact O-N 2.85Å; P18-K20 VanDerWaalsContact C-N 3.32Å; P18-K20 PolarHBondContact O-N 3.21Å; K20-F67 HydrophobicContact CB-CE2 3.99Å; K20-F67 HydrophobicContact CB-CZ 3.75Å
21C84.3Confident86.4Confident13 Ų1366.2 Ų66.29%0.08831%0.307CS..THydrogen-bonded Turntrans-94.43.4-174.872.30000115.1K17 P18 Q23 E24 P66 F67K17-C21 PolarHBondContact O-N 2.95Å; K17-C21 VanDerWaalsContact O-N 3.14Å; P18-C21 VanDerWaalsContact CA-SG 3.54Å; C21-Q23 PolarHBondContact O-N 3.2Å; C21-Q23 PolarHBondContact SG-N 2.8Å; C21-E24 WeakPolarHBondContact O-CG 3.47Å; C21-E24 PolarHBondContact O-N 2.83Å; C21-P66 HydrophobicContact CB-CG 3.64Å; C21-F67 HydrophobicContact CB-CD2 3.94Å; C21-F67 HydrophobicContact CB-CE2 3.7Å
22R87Confident86.7Confident191 Ų19167.5 Ų67.572%0.72132%0.315SS*.THydrogen-bonded Turntrans51.220.1-175.1-59.1-178.2178.4-178.1-0.8114.6E24 K27R22-E24 VanDerWaalsContact C-N 3.29Å; R22-E24 PolarHBondContact O-N 3.37Å; R22-K27 VanDerWaalsContact O-CE 3.25Å; R22-K27 WeakPolarHBondContact O-CE 3.42Å; R22-K27 PolarHBondContact O-NZ 2.81Å
23Q88.7Confident87.1Confident40 Ų4073.4 Ų73.419%0.18733%0.332CS..THydrogen-bonded Turntrans5539-178.5-57.514828.300113.4C21 C25 K26 K27 V41 T42C21-Q23 PolarHBondContact O-N 3.2Å; C21-Q23 PolarHBondContact SG-N 2.8Å; Q23-C25 PolarHBondContact O-N 3.47Å; Q23-C25 VanDerWaalsContact O-N 3.09Å; Q23-K26 HydrophobicContact CB-CB 4.5Å; Q23-K26 PolarHBondContact O-N 3.46Å; Q23-K27 PolarHBondContact O-N 2.82Å; Q23-V41 HydrophobicContact CB-CG1 3.89Å; Q23-V41 HydrophobicContact CG-CG1 3.83Å; Q23-V41 HydrophobicContact CG-CG2 4.01Å; Q23-T42 VanDerWaalsContact NE2-C 3.29Å
24E89.6Confident87.6Confident63 Ų6375.5 Ų75.529%0.29435%0.345SS..Hα-helixtrans-53.7-31.9180-74.8-5413800113.6C21 R22 K26 K27 S28C21-E24 WeakPolarHBondContact O-CG 3.47Å; C21-E24 PolarHBondContact O-N 2.83Å; R22-E24 VanDerWaalsContact C-N 3.29Å; R22-E24 PolarHBondContact O-N 3.37Å; E24-K26 PolarHBondContact O-N 3.31Å; E24-K27 PolarHBondContact O-N 2.99Å; E24-S28 WeakPolarHBondContact O-CB 3.35Å; E24-S28 PolarHBondContact O-N 3.21Å; E24-S28 PolarHBondContact O-OG 2.76Å; E24-S28 VanDerWaalsContact O-OG 3.06Å
25C89.9Confident88.1Confident7 Ų772.3 Ų72.35%0.04734%0.344CS..Hα-helixtrans-58.3-44.3175.654.50000112.6Q23 C29 I39 C61 L70Q23-C25 PolarHBondContact O-N 3.47Å; Q23-C25 VanDerWaalsContact O-N 3.09Å; C25-C29 WeakPolarHBondContact O-CB 3.36Å; C25-C29 PolarHBondContact O-N 3.24Å; C25-I39 HydrophobicContact CB-CD1 4.42Å; C25-I39 WeakPolarHBondContact O-CD1 3.36Å; C25-C61 HydrophobicContact CB-CB 4.06Å; C25-L70 HydrophobicContact CB-CD1 3.54Å
26K90.8Very high88.5Confident70 Ų7075.2 Ų75.230%0.30436%0.356SS..Hα-helixtrans-70.2-44.8178.1-173.9178.7-177.1-178.80111.3Q23 E24 S28 C29 V32 I39 V41Q23-K26 HydrophobicContact CB-CB 4.5Å; Q23-K26 PolarHBondContact O-N 3.46Å; E24-K26 PolarHBondContact O-N 3.31Å; K26-S28 PolarHBondContact O-N 3.38Å; K26-C29 PolarHBondContact O-N 3.03Å; K26-V32 HydrophobicContact CG-CG1 3.96Å; K26-I39 HydrophobicContact CB-CG2 4.23Å; K26-V41 HydrophobicContact CB-CG1 3.79Å; K26-V41 HydrophobicContact CD-CG1 3.96Å; K26-V41 HydrophobicContact CG-CG1 4.43Å
27K89.4Confident88.7Confident111 Ų11180 Ų8048%0.48338%0.38SS..Hα-helixtrans-66.8-35-178.6-65.4179.9-177.5172.10113.6R22 Q23 E24 R33R22-K27 VanDerWaalsContact O-CE 3.25Å; R22-K27 WeakPolarHBondContact O-CE 3.42Å; R22-K27 PolarHBondContact O-NZ 2.81Å; Q23-K27 PolarHBondContact O-N 2.82Å; E24-K27 PolarHBondContact O-N 2.99Å; K27-R33 PolarHBondContact O-NE 3.14Å; K27-R33 PolarHBondContact O-NH2 3.17Å
28S90.8Very high88.8Confident19 Ų1974.9 Ų74.913%0.13336%0.358CS..Hα-helixtrans-88.3-9.7-177.7-61.90000113.2E24 K26 P30E24-S28 WeakPolarHBondContact O-CB 3.35Å; E24-S28 PolarHBondContact O-N 3.21Å; E24-S28 PolarHBondContact O-OG 2.76Å; E24-S28 VanDerWaalsContact O-OG 3.06Å; K26-S28 PolarHBondContact O-N 3.38Å; S28-P30 WeakPolarHBondContact O-CD 3.42Å
29C90.8Very high89Confident6 Ų674.8 Ų74.84%0.04136%0.357CS..  trans-74.7121.7-178.7-175.10000111.1C25 K26 V31 V32 R33 I39C25-C29 WeakPolarHBondContact O-CB 3.36Å; C25-C29 PolarHBondContact O-N 3.24Å; K26-C29 PolarHBondContact O-N 3.03Å; C29-V31 VanDerWaalsContact C-N 3.3Å; C29-V31 PolarHBondContact O-N 3.2Å; C29-V32 HydrophobicContact CB-CB 4.05Å; C29-V32 HydrophobicContact CB-CG2 3.82Å; C29-V32 PolarHBondContact O-N 3.32Å; C29-R33 WeakPolarHBondContact O-CG 3.2Å; C29-R33 PolarHBondContact O-N 2.87Å; C29-R33 VanDerWaalsContact O-N 3.09Å; C29-I39 HydrophobicContact CB-CD1 3.83Å; C29-I39 HydrophobicContact CB-CG1 4.43Å
30P92Very high89.2Confident37 Ų3771 Ų7124%0.2434%0.342CS..Hα-helixtrans-64.2-36.118025.2-33.5000112S28 V32 R33 M34 I56 I60S28-P30 WeakPolarHBondContact O-CD 3.42Å; P30-V32 VanDerWaalsContact C-N 3.32Å; P30-V32 PolarHBondContact O-N 3.14Å; P30-R33 WeakPolarHBondContact O-CB 3.44Å; P30-R33 PolarHBondContact O-N 2.97Å; P30-R33 VanDerWaalsContact O-N 3.17Å; P30-M34 WeakPolarHBondContact O-CG 3.36Å; P30-M34 PolarHBondContact O-N 3.27Å; P30-I56 HydrophobicContact CG-CD1 3.84Å; P30-I60 HydrophobicContact CG-CD1 4.31Å
31V91.1Very high89.4Confident7 Ų763.5 Ų63.54%0.04231%0.31CS..Hα-helixtrans-64.8-38179.9-175.70000111.6C29 M34 K36 C38 I56C29-V31 VanDerWaalsContact C-N 3.3Å; C29-V31 PolarHBondContact O-N 3.2Å; V31-M34 PolarHBondContact O-N 3.22Å; V31-K36 HydrophobicContact CG1-CB 3.71Å; V31-K36 HydrophobicContact CG1-CD 4.23Å; V31-K36 PolarHBondContact O-N 3.18Å; V31-K36 VanDerWaalsContact O-N 3.16Å; V31-C38 HydrophobicContact CB-CB 3.73Å; V31-C38 HydrophobicContact CG1-CB 3.51Å; V31-I56 HydrophobicContact CG2-CB 4.26Å; V31-I56 HydrophobicContact CG2-CD1 4.07Å; V31-I56 HydrophobicContact CG2-CG1 3.78Å; V31-I56 HydrophobicContact CG2-CG2 3.72Å
32V90.9Very high89.3Confident32 Ų3266.3 Ų66.319%0.19433%0.327CS..Hα-helixtrans-69.9-38.3174.6179.50000111.3K26 C29 P30 M34 G35 K36 C38 I39K26-V32 HydrophobicContact CG-CG1 3.96Å; C29-V32 HydrophobicContact CB-CB 4.05Å; C29-V32 HydrophobicContact CB-CG2 3.82Å; C29-V32 PolarHBondContact O-N 3.32Å; P30-V32 VanDerWaalsContact C-N 3.32Å; P30-V32 PolarHBondContact O-N 3.14Å; V32-M34 PolarHBondContact O-N 3.46Å; V32-G35 PolarHBondContact O-N 3.09Å; V32-K36 WeakPolarHBondContact CA-O 3.38Å; V32-C38 HydrophobicContact CG2-CB 4.12Å; V32-I39 HydrophobicContact CG2-CB 4.11Å; V32-I39 HydrophobicContact CG2-CG1 4.46Å
33R89.7Confident88.8Confident186 Ų18659.9 Ų59.970%0.70231%0.314SS*.Hα-helixtrans-63.2-28.6174.1-69.9-179.3-179.4-166.3-1.6113.1K27 C29 P30 G35K27-R33 PolarHBondContact O-NE 3.14Å; K27-R33 PolarHBondContact O-NH2 3.17Å; C29-R33 WeakPolarHBondContact O-CG 3.2Å; C29-R33 PolarHBondContact O-N 2.87Å; C29-R33 VanDerWaalsContact O-N 3.09Å; P30-R33 WeakPolarHBondContact O-CB 3.44Å; P30-R33 PolarHBondContact O-N 2.97Å; P30-R33 VanDerWaalsContact O-N 3.17Å; R33-G35 PolarHBondContact O-N 2.79Å
34M89.8Confident88.3Confident153 Ų15366.3 Ų66.375%0.75434%0.344SS*.THydrogen-bonded Turntrans-79.35.1172.3-65.1177.375.700113.5P30 V31 V32P30-M34 WeakPolarHBondContact O-CG 3.36Å; P30-M34 PolarHBondContact O-N 3.27Å; V31-M34 PolarHBondContact O-N 3.22Å; V32-M34 PolarHBondContact O-N 3.46Å
35G86.9Confident87.8Confident69 Ų6965.1 Ų65.171%0.71134%0.343SS*.THydrogen-bonded Turntrans87.95.5176.400000115.7V32 R33V32-G35 PolarHBondContact O-N 3.09Å; R33-G35 PolarHBondContact O-N 2.79Å
36K90.4Very high87.4Confident123 Ų12374.3 Ų74.354%0.53538%0.382SS..  trans-94.2142.8177.9-67.7-179-179.4-177.50111.8V31 V32 C38V31-K36 HydrophobicContact CG1-CB 3.71Å; V31-K36 HydrophobicContact CG1-CD 4.23Å; V31-K36 PolarHBondContact O-N 3.18Å; V31-K36 VanDerWaalsContact O-N 3.16Å; V32-K36 WeakPolarHBondContact CA-O 3.38Å; K36-C38 PolarHBondContact O-N 3.01Å
37L89Confident87.1Confident112 Ų11273.4 Ų73.459%0.58638%0.38SS*.  trans-79.561.9-179.1-62.8175.3000112.8L54L37-L54 WeakPolarHBondContact O-CD1 3.28Å
38C88.8Confident87Confident0 Ų068.3 Ų68.30%036%0.358CS..SBendtrans-76.1-35.8177.8175.10000113.1V31 V32 K36 I50 S51 L54 C55V31-C38 HydrophobicContact CB-CB 3.73Å; V31-C38 HydrophobicContact CG1-CB 3.51Å; V32-C38 HydrophobicContact CG2-CB 4.12Å; K36-C38 PolarHBondContact O-N 3.01Å; C38-I50 WeakPolarHBondContact O-CA 3.39Å; C38-S51 PolarHBondContact O-N 2.75Å; C38-L54 HydrophobicContact CB-CB 3.99Å; C38-C55 VanDerWaalsContact SG-CA 3.51Å
39I90.6Very high87Confident2 Ų272 Ų721%0.0137%0.37CS..EExtended strand (participates in β ladder)trans-127.5119.4179.4-58.6-175.5000108.4C25 K26 C29 V32 V41 V48 W49 I50 C61C25-I39 HydrophobicContact CB-CD1 4.42Å; C25-I39 WeakPolarHBondContact O-CD1 3.36Å; K26-I39 HydrophobicContact CB-CG2 4.23Å; C29-I39 HydrophobicContact CB-CD1 3.83Å; C29-I39 HydrophobicContact CB-CG1 4.43Å; V32-I39 HydrophobicContact CG2-CB 4.11Å; V32-I39 HydrophobicContact CG2-CG1 4.46Å; I39-V41 HydrophobicContact CG2-CG1 4.36Å; I39-V48 HydrophobicContact CG2-CG1 3.52Å; I39-W49 WeakPolarHBondContact CA-O 3.43Å; I39-I50 HydrophobicContact CG1-CG1 4.22Å; I39-I50 HydrophobicContact CG1-CG2 4.35Å; I39-I50 HydrophobicContact CG2-CG1 4.46Å; I39-C61 HydrophobicContact CD1-CB 4.13Å
40E89.2Confident86.9Confident89 Ų8971.9 Ų71.942%0.41637%0.368SS..EExtended strand (participates in β ladder)trans-108.9115.4177.4-63.1-175.3-166.500109.4W49E40-W49 HydrophobicContact CB-CB 4.42Å; E40-W49 HydrophobicContact CB-CE3 3.95Å; E40-W49 HydrophobicContact CG-CE3 3.83Å; E40-W49 HydrophobicContact CG-CZ3 4.12Å; E40-W49 PolarHBondContact N-O 2.96Å; E40-W49 PolarHBondContact O-N 3.01Å
41V87.8Confident86.7Confident4 Ų470.5 Ų70.52%0.02436%0.36CS..  trans-155139.6174.961.60000108.9P18 Q23 K26 I39 V48P18-V41 HydrophobicContact CB-CG2 3.77Å; P18-V41 HydrophobicContact CG-CG2 4.05Å; Q23-V41 HydrophobicContact CB-CG1 3.89Å; Q23-V41 HydrophobicContact CG-CG1 3.83Å; Q23-V41 HydrophobicContact CG-CG2 4.01Å; K26-V41 HydrophobicContact CB-CG1 3.79Å; K26-V41 HydrophobicContact CD-CG1 3.96Å; K26-V41 HydrophobicContact CG-CG1 4.43Å; I39-V41 HydrophobicContact CG2-CG1 4.36Å; V41-V48 HydrophobicContact CB-CB 4.33Å; V41-V48 HydrophobicContact CB-CG1 4.28Å; V41-V48 HydrophobicContact CB-CG2 3.9Å; V41-V48 HydrophobicContact CG1-CG2 4.37Å; V41-V48 HydrophobicContact CG2-CB 4.44Å; V41-V48 HydrophobicContact CG2-CG2 3.66Å
42T82.4Confident86.4Confident72 Ų7271.7 Ų71.744%0.44237%0.365SS..  trans-121.3170.8168.672.30000110Q23 Q44 S45Q23-T42 VanDerWaalsContact NE2-C 3.29Å; T42-Q44 PolarHBondContact O-N 2.86Å; T42-Q44 PolarHBondContact OG1-N 3.46Å; T42-S45 PolarHBondContact N-OG 3.45Å; T42-S45 VanDerWaalsContact N-OG 3.09Å; T42-S45 WeakPolarHBondContact O-CB 3.33Å; T42-S45 PolarHBondContact O-N 2.87Å; T42-S45 PolarHBondContact OG1-N 3.46Å; T42-S45 VanDerWaalsContact OG1-N 3.13Å; T42-S45 PolarHBondContact OG1-OG 2.71Å
43A77.1Confident86.1Confident55 Ų5575.4 Ų75.446%0.45539%0.392SS..SBendtrans-69.7-22.9178.600000112.4K19K19-A43 WeakPolarHBondContact CG-O 3.37Å
44Q78.3Confident86Confident175 Ų17569.6 Ų69.682%0.81838%0.375SS*.SBendtrans-87.5-22.9177.6-64.9177.8-8.600112.1T42 K46T42-Q44 PolarHBondContact O-N 2.86Å; T42-Q44 PolarHBondContact OG1-N 3.46Å; Q44-K46 PolarHBondContact O-N 2.78Å
45S79.1Confident85.7Confident38 Ų3862.7 Ų62.727%0.26634%0.341SS..  trans-56.7130.8176.9-59.20000110.6P18 T42 I47P18-S45 WeakPolarHBondContact CG-O 3.33Å; T42-S45 PolarHBondContact N-OG 3.45Å; T42-S45 VanDerWaalsContact N-OG 3.09Å; T42-S45 WeakPolarHBondContact O-CB 3.33Å; T42-S45 PolarHBondContact O-N 2.87Å; T42-S45 PolarHBondContact OG1-N 3.46Å; T42-S45 VanDerWaalsContact OG1-N 3.13Å; T42-S45 PolarHBondContact OG1-OG 2.71Å; S45-I47 VanDerWaalsContact C-N 3.25Å; S45-I47 WeakPolarHBondContact CB-O 3.47Å
46K80.5Confident85.7Confident201 Ų20163.6 Ų63.687%0.87433%0.329SS*.SBendtrans-66.3-33.1171.6-68.9-177.5179.5177.90111Q44Q44-K46 PolarHBondContact O-N 2.78Å
47I83.7Confident85.3Confident50 Ų5058.6 Ų58.626%0.25631%0.312SS..SBendtrans-139.5161.8-177.6-154155.5000112.8V11 H13 C16 S45V11-I47 HydrophobicContact CB-CD1 4.42Å; V11-I47 HydrophobicContact CB-CG1 4.49Å; V11-I47 HydrophobicContact CG1-CD1 3.83Å; V11-I47 HydrophobicContact CG1-CG1 3.63Å; H13-I47 HydrophobicContact CB-CD1 4.12Å; H13-I47 WeakPolarHBondContact CE1-CD1 3.44Å; H13-I47 VanDerWaalsContact CG-CD1 3.43Å; H13-I47 WeakPolarHBondContact ND1-CD1 3.36Å; C16-I47 HydrophobicContact CB-CG1 4.23Å; S45-I47 VanDerWaalsContact C-N 3.25Å; S45-I47 WeakPolarHBondContact CB-O 3.47Å
48V88.9Confident85.2Confident4 Ų455.8 Ų55.82%0.02430%0.301CS..  trans-85.2135.8169.9177.70000108.7P18 I39 V41 I50P18-V48 HydrophobicContact CG-CG2 4.37Å; I39-V48 HydrophobicContact CG2-CG1 3.52Å; V41-V48 HydrophobicContact CB-CB 4.33Å; V41-V48 HydrophobicContact CB-CG1 4.28Å; V41-V48 HydrophobicContact CB-CG2 3.9Å; V41-V48 HydrophobicContact CG1-CG2 4.37Å; V41-V48 HydrophobicContact CG2-CB 4.44Å; V41-V48 HydrophobicContact CG2-CG2 3.66Å; V48-I50 HydrophobicContact CG1-CD1 4.39Å; V48-I50 HydrophobicContact CG1-CG1 3.91Å
49W89.4Confident85Confident98 Ų9856.7 Ų56.737%0.37131%0.31SS..EExtended strand (participates in β ladder)trans-105.1137.5167.4-178.588.4000110.1I39 E40I39-W49 WeakPolarHBondContact CA-O 3.43Å; E40-W49 HydrophobicContact CB-CB 4.42Å; E40-W49 HydrophobicContact CB-CE3 3.95Å; E40-W49 HydrophobicContact CG-CE3 3.83Å; E40-W49 HydrophobicContact CG-CZ3 4.12Å; E40-W49 PolarHBondContact N-O 2.96Å; E40-W49 PolarHBondContact O-N 3.01Å
50I89.6Confident84.9Confident3 Ų359.7 Ų59.72%0.01533%0.326CS..EExtended strand (participates in β ladder)trans-126.2121.4-179.6-55.9-179000109.2A9 V11 C38 I39 V48 E52 L70 N90A9-I50 HydrophobicContact CB-CB 3.78Å; A9-I50 HydrophobicContact CB-CD1 4.26Å; A9-I50 HydrophobicContact CB-CG2 3.55Å; V11-I50 HydrophobicContact CG2-CD1 4.13Å; V11-I50 HydrophobicContact CG2-CG1 4.34Å; C38-I50 WeakPolarHBondContact O-CA 3.39Å; I39-I50 HydrophobicContact CG1-CG1 4.22Å; I39-I50 HydrophobicContact CG1-CG2 4.35Å; I39-I50 HydrophobicContact CG2-CG1 4.46Å; V48-I50 HydrophobicContact CG1-CD1 4.39Å; V48-I50 HydrophobicContact CG1-CG1 3.91Å; I50-E52 PolarHBondContact O-N 2.99Å; I50-L70 HydrophobicContact CD1-CD1 4.27Å; I50-L70 HydrophobicContact CD1-CD2 3.84Å; I50-N90 PolarHBondContact N-OD1 3.41Å; I50-N90 PolarHBondContact O-ND2 3.3Å; I50-N90 PolarHBondContact O-OD1 3.12Å
51S87.8Confident84.9Confident8 Ų855.7 Ų55.76%0.05631%0.308CS..  trans-70.8114.8172.61770000110.7C38 S53 L54 C55C38-S51 PolarHBondContact O-N 2.75Å; S51-S53 VanDerWaalsContact C-N 3.3Å; S51-S53 PolarHBondContact O-N 3.39Å; S51-S53 PolarHBondContact OG-OG 3.41Å; S51-S53 VanDerWaalsContact OG-OG 3.06Å; S51-L54 PolarHBondContact OG-N 3.26Å; S51-C55 VanDerWaalsContact O-CB 3.25Å; S51-C55 WeakPolarHBondContact O-CB 3.5Å; S51-C55 PolarHBondContact O-N 2.85Å; S51-C55 VanDerWaalsContact O-N 3.09Å
52E84.8Confident84.8Confident32 Ų3257.9 Ų57.915%0.1532%0.321CS..THydrogen-bonded Turntrans-67.6-30.9177-69174.4166.900112A9 I50 R86 K93A9-E52 HydrophobicContact CB-CG 4.4Å; I50-E52 PolarHBondContact O-N 2.99Å; E52-R86 IonicContact OE1-CZ 3.48Å; E52-R86 IonicContact OE1-NH1 3.83Å; E52-R86 IonicContact OE1-NH2 3.45Å; E52-R86 PolarHBondContact OE1-NH2 3.01Å; E52-R86 IonicContact OE2-CZ 2.75Å; E52-R86 IonicContact OE2-NH1 3.09Å; E52-R86 PolarHBondContact OE2-NH1 3.27Å; E52-R86 IonicContact OE2-NH2 3.5Å; E52-K93 IonicContact OE1-NZ 2.83Å; E52-K93 IonicContact OE2-NZ 3.47Å; E52-K93 PolarHBondContact OE2-NZ 2.83Å
53S84.1Confident85.1Confident109 Ų10963.4 Ų63.476%0.76234%0.339SS*.THydrogen-bonded Turntrans-75-34.6-179.858.40000113.2S51S51-S53 VanDerWaalsContact C-N 3.3Å; S51-S53 PolarHBondContact O-N 3.39Å; S51-S53 PolarHBondContact OG-OG 3.41Å; S51-S53 VanDerWaalsContact OG-OG 3.06Å
54L87.1Confident85.6Confident65 Ų6566.9 Ų66.934%0.3434%0.344SS..THydrogen-bonded Turntrans-90.4-21-180-62.9176.5000113.2L37 C38 S51 I56L37-L54 WeakPolarHBondContact O-CD1 3.28Å; C38-L54 HydrophobicContact CB-CB 3.99Å; S51-L54 PolarHBondContact OG-N 3.26Å; L54-I56 PolarHBondContact O-N 2.99Å
55C85Confident86Confident8 Ų859.5 Ų59.55%0.05431%0.311CS..  trans-66.3126.6-178.7-172.90000111.2R7 C38 S51 G57R7-C55 WeakPolarHBondContact CD-O 3.46Å; R7-C55 PolarHBondContact NH1-O 3.11Å; C38-C55 VanDerWaalsContact SG-CA 3.51Å; S51-C55 VanDerWaalsContact O-CB 3.25Å; S51-C55 WeakPolarHBondContact O-CB 3.5Å; S51-C55 PolarHBondContact O-N 2.85Å; S51-C55 VanDerWaalsContact O-N 3.09Å; C55-G57 VanDerWaalsContact C-N 3.34Å; C55-G57 PolarHBondContact SG-N 3.44Å
56I86.4Confident86.3Confident87 Ų8761.8 Ų61.845%0.44633%0.325SS..  trans-85.5-0.2176.963.8171.3000114.2R7 P30 V31 L54 C58R7-I56 PolarHBondContact NE-O 2.84Å; R7-I56 VanDerWaalsContact NH1-CA 3.26Å; R7-I56 PolarHBondContact NH2-O 3.08Å; P30-I56 HydrophobicContact CG-CD1 3.84Å; V31-I56 HydrophobicContact CG2-CB 4.26Å; V31-I56 HydrophobicContact CG2-CD1 4.07Å; V31-I56 HydrophobicContact CG2-CG1 3.78Å; V31-I56 HydrophobicContact CG2-CG2 3.72Å; L54-I56 PolarHBondContact O-N 2.99Å; I56-C58 VanDerWaalsContact C-N 3.31Å; I56-C58 HydrophobicContact CD1-CB 4.18Å; I56-C58 HydrophobicContact CG1-CB 4.08Å; I56-C58 PolarHBondContact O-N 2.94Å
57G82.9Confident86.4Confident18 Ų1855.8 Ų55.819%0.18630%0.299CS..  trans73.715.3177.200000115.7C55 G59C55-G57 VanDerWaalsContact C-N 3.34Å; C55-G57 PolarHBondContact SG-N 3.44Å; G57-G59 PolarHBondContact O-N 3.2Å; G57-G59 VanDerWaalsContact O-N 3.11Å
58C85.8Confident86.4Confident54 Ų5455.6 Ų55.637%0.36531%0.309SS..  trans-64-15.1-176.563.40000115.2I56 I60I56-C58 VanDerWaalsContact C-N 3.31Å; I56-C58 HydrophobicContact CD1-CB 4.18Å; I56-C58 HydrophobicContact CG1-CB 4.08Å; I56-C58 PolarHBondContact O-N 2.94Å; C58-I60 HydrophobicContact CB-CD1 4.07Å; C58-I60 HydrophobicContact CB-CG1 4.08Å; C58-I60 PolarHBondContact O-N 3.41Å
59G84Confident86.2Confident18 Ų1855.5 Ų55.519%0.18631%0.309CS..  trans66.92.3179.300000115.7G57 C61 V62 K63G57-G59 PolarHBondContact O-N 3.2Å; G57-G59 VanDerWaalsContact O-N 3.11Å; G59-C61 VanDerWaalsContact C-N 3.34Å; G59-C61 PolarHBondContact O-N 3.49Å; G59-V62 WeakPolarHBondContact O-CB 3.44Å; G59-V62 PolarHBondContact O-N 2.99Å; G59-V62 VanDerWaalsContact O-N 3.14Å; G59-K63 PolarHBondContact O-N 3.49Å
60I89.8Confident86Confident66 Ų6651 Ų5134%0.33829%0.292SS..Hα-helixtrans-62.2-42.5-177-61.8170.5000110.9P30 C58 V62 K63 K64P30-I60 HydrophobicContact CG-CD1 4.31Å; C58-I60 HydrophobicContact CB-CD1 4.07Å; C58-I60 HydrophobicContact CB-CG1 4.08Å; C58-I60 PolarHBondContact O-N 3.41Å; I60-V62 PolarHBondContact O-N 3.32Å; I60-K63 PolarHBondContact O-N 2.93Å; I60-K64 HydrophobicContact CG2-CG 4.15Å; I60-K64 WeakPolarHBondContact O-CB 3.43Å; I60-K64 WeakPolarHBondContact O-CG 3.45Å; I60-K64 PolarHBondContact O-N 2.89Å
61C88.3Confident85.7Confident5 Ų553.7 Ų53.73%0.03431%0.311CS..Hα-helixtrans-64.8-28.5178.358.10000113C25 I39 G59 C65 L70 I72C25-C61 HydrophobicContact CB-CB 4.06Å; I39-C61 HydrophobicContact CD1-CB 4.13Å; G59-C61 VanDerWaalsContact C-N 3.34Å; G59-C61 PolarHBondContact O-N 3.49Å; C61-C65 WeakPolarHBondContact O-CB 3.49Å; C61-C65 PolarHBondContact O-N 3.13Å; C61-C65 VanDerWaalsContact O-N 3.11Å; C61-L70 HydrophobicContact CB-CD1 4.04Å; C61-I72 WeakPolarHBondContact SG-CD1 3.48Å
62V86.9Confident85.5Confident50 Ų5054.9 Ų54.930%0.30332%0.316SS..Hα-helixtrans-68.1-51.5174.6177.10000109.5G59 I60 K64 C65 L70 I72G59-V62 WeakPolarHBondContact O-CB 3.44Å; G59-V62 PolarHBondContact O-N 2.99Å; G59-V62 VanDerWaalsContact O-N 3.14Å; I60-V62 PolarHBondContact O-N 3.32Å; V62-K64 VanDerWaalsContact C-N 3.31Å; V62-K64 PolarHBondContact O-N 2.87Å; V62-C65 WeakPolarHBondContact O-CB 3.45Å; V62-C65 PolarHBondContact O-N 3.36Å; V62-L70 WeakPolarHBondContact CG1-O 3.22Å; V62-L70 HydrophobicContact CG2-CB 4.26Å; V62-I72 HydrophobicContact CG2-CB 4.26Å; V62-I72 HydrophobicContact CG2-CD1 4.19Å; V62-I72 HydrophobicContact CG2-CG1 3.94Å
63K87.1Confident85.2Confident188 Ų18854.5 Ų54.582%0.81732%0.316SS*.Hα-helixtrans-64.2-32.9179.6-64.9-176.9-179.3-177.60113.4G59 I60G59-K63 PolarHBondContact O-N 3.49Å; I60-K63 PolarHBondContact O-N 2.93Å
64K89Confident84.7Confident127 Ų12753.5 Ų53.555%0.55230%0.302SS*.THydrogen-bonded Turntrans-88.8-6.3-179.7-66.8-66.8-175.3-179.70113.6I60 V62 P66I60-K64 HydrophobicContact CG2-CG 4.15Å; I60-K64 WeakPolarHBondContact O-CB 3.43Å; I60-K64 WeakPolarHBondContact O-CG 3.45Å; I60-K64 PolarHBondContact O-N 2.89Å; V62-K64 VanDerWaalsContact C-N 3.31Å; V62-K64 PolarHBondContact O-N 2.87Å; K64-P66 VanDerWaalsContact O-CD 3.31Å; K64-P66 WeakPolarHBondContact O-CD 3.19Å
65C87.1Confident84Confident21 Ų2150.6 Ų50.614%0.14229%0.287CS..  trans-72.6117.2177.2-1720000109.6C61 V62 F67 G68 A69 L70C61-C65 WeakPolarHBondContact O-CB 3.49Å; C61-C65 PolarHBondContact O-N 3.13Å; C61-C65 VanDerWaalsContact O-N 3.11Å; V62-C65 WeakPolarHBondContact O-CB 3.45Å; V62-C65 PolarHBondContact O-N 3.36Å; C65-F67 PolarHBondContact O-N 3.31Å; C65-G68 PolarHBondContact O-N 3.3Å; C65-A69 PolarHBondContact SG-N 2.88Å; C65-A69 VanDerWaalsContact SG-N 3.39Å; C65-L70 HydrophobicContact CB-CD1 4.49Å; C65-L70 HydrophobicContact CB-CG 4.47Å
66P84Confident83.2Confident85 Ų8553 Ų5355%0.55230%0.302SS*.THydrogen-bonded Turntrans-68.4-18.9-178.127.7-34.8000113.2C21 K64C21-P66 HydrophobicContact CB-CG 3.64Å; K64-P66 VanDerWaalsContact O-CD 3.31Å; K64-P66 WeakPolarHBondContact O-CD 3.19Å
67F83.8Confident82.1Confident76 Ų7650 Ų5033%0.33329%0.29SS..THydrogen-bonded Turntrans-106.31-178.2-60.2-64.7000113.4K15 K17 K20 C21 C65 A69K15-F67 VanDerWaalsContact O-CB 3.29Å; K15-F67 WeakPolarHBondContact O-CB 3.46Å; K17-F67 HydrophobicContact CB-CD2 4.24Å; K17-F67 HydrophobicContact CB-CE2 3.92Å; K17-F67 HydrophobicContact CB-CZ 4.38Å; K20-F67 HydrophobicContact CB-CE2 3.99Å; K20-F67 HydrophobicContact CB-CZ 3.75Å; C21-F67 HydrophobicContact CB-CD2 3.94Å; C21-F67 HydrophobicContact CB-CE2 3.7Å; C65-F67 PolarHBondContact O-N 3.31Å; F67-A69 HydrophobicContact CB-CB 4.48Å; F67-A69 PolarHBondContact O-N 2.99Å; F67-A69 VanDerWaalsContact O-N 3.17Å
68G82Confident81.4Confident45 Ų4553.9 Ų53.946%0.46431%0.306SS..  trans5632.4-176.100000113.7C65C65-G68 PolarHBondContact O-N 3.3Å
69A85Confident80.9Confident2 Ų251.7 Ų51.72%0.01729%0.291CS..  trans-84.6-9-172.400000114.1N12 K15 C16 C65 F67N12-A69 PolarHBondContact N-O 2.9Å; K15-A69 HydrophobicContact CB-CB 3.65Å; C16-A69 HydrophobicContact CB-CB 3.91Å; C65-A69 PolarHBondContact SG-N 2.88Å; C65-A69 VanDerWaalsContact SG-N 3.39Å; F67-A69 HydrophobicContact CB-CB 4.48Å; F67-A69 PolarHBondContact O-N 2.99Å; F67-A69 VanDerWaalsContact O-N 3.17Å
70L86Confident80.5Confident4 Ų455.7 Ų55.72%0.02131%0.305CS..EExtended strand (participates in β ladder)trans-111.3136.6-174.5-57.8-178.2000109.8V11 C25 I50 C61 V62 C65V11-L70 HydrophobicContact CB-CD2 4.3Å; V11-L70 HydrophobicContact CG1-CD2 3.99Å; V11-L70 HydrophobicContact CG2-CD2 3.69Å; C25-L70 HydrophobicContact CB-CD1 3.54Å; I50-L70 HydrophobicContact CD1-CD1 4.27Å; I50-L70 HydrophobicContact CD1-CD2 3.84Å; C61-L70 HydrophobicContact CB-CD1 4.04Å; V62-L70 WeakPolarHBondContact CG1-O 3.22Å; V62-L70 HydrophobicContact CG2-CB 4.26Å; C65-L70 HydrophobicContact CB-CD1 4.49Å; C65-L70 HydrophobicContact CB-CG 4.47Å
71S82.1Confident79.9Confident59 Ų5960.6 Ų60.641%0.41332%0.323SS..EExtended strand (participates in β ladder)trans-131.6130.1170.4-56.60000108.8I10I10-S71 PolarHBondContact N-O 2.68Å; I10-S71 PolarHBondContact O-N 3.42Å
72I84Confident79.8Confident33 Ų3363 Ų6317%0.16933%0.334CS..EExtended strand (participates in β ladder)trans-114.9120.6174.1-64.7175.4000106.9I8 C61 V62I8-I72 WeakPolarHBondContact O-CA 3.37Å; C61-I72 WeakPolarHBondContact SG-CD1 3.48Å; V62-I72 HydrophobicContact CG2-CB 4.26Å; V62-I72 HydrophobicContact CG2-CD1 4.19Å; V62-I72 HydrophobicContact CG2-CG1 3.94Å
73V78.9Confident79.9Confident24 Ų2461.1 Ų61.115%0.14532%0.323CS..EExtended strand (participates in β ladder)trans-115129.2177.7-172.30000108.8R7 I8 I10 Y296R7-V73 WeakPolarHBondContact CA-O 3.11Å; I8-V73 PolarHBondContact N-O 2.72Å; I8-V73 PolarHBondContact O-N 3.33Å; I10-V73 HydrophobicContact CD1-CG2 4.25Å; V73-Y296 HydrophobicContact CB-CE1 4.49Å; V73-Y296 HydrophobicContact CG1-CD1 4.42Å; V73-Y296 HydrophobicContact CG1-CE1 3.74Å
74N74.7Confident80.1Confident88 Ų8852.2 Ų52.247%0.47128%0.284SS..EExtended strand (participates in β ladder)trans-85.1124.9170.2-63.5-40.8000107.8
75L71Confident80.2Confident5 Ų546.7 Ų46.73%0.02626%0.26CS..EExtended strand (participates in β ladder)trans-107.3147176.7-73.2163.9000110.7T6 I8 S77 L79 Y296T6-L75 PolarHBondContact N-O 3.17Å; T6-L75 PolarHBondContact O-N 3.41Å; T6-L75 VanDerWaalsContact O-O 3.06Å; T6-L75 PolarHBondContact OG1-O 3.19Å; I8-L75 HydrophobicContact CB-CD1 4.24Å; I8-L75 HydrophobicContact CD1-CD1 3.08Å; I8-L75 HydrophobicContact CD1-CG 4.26Å; I8-L75 HydrophobicContact CG1-CD1 3.43Å; I8-L75 VanDerWaalsContact CG1-CD1 3.43Å; L75-S77 PolarHBondContact O-N 3.46Å; L75-L79 HydrophobicContact CD2-CD1 3.9Å; L75-Y296 HydrophobicContact CD2-CD1 4.18Å; L75-Y296 HydrophobicContact CD2-CD2 3.65Å; L75-Y296 HydrophobicContact CD2-CE1 3.95Å; L75-Y296 HydrophobicContact CD2-CE2 3.35Å; L75-Y296 HydrophobicContact CD2-CG 4.05Å
76P67.9Low80.3Confident57 Ų5746.7 Ų46.737%0.3726%0.257SS..  trans-49.1132.7160.8-22.728.9000110.8T6 N78 L79 L322T6-P76 PolarHBondContact OG1-O 3.08Å; P76-N78 PolarHBondContact O-N 3.26Å; P76-L79 HydrophobicContact CB-CD1 4.36Å; P76-L79 HydrophobicContact CB-CG 4.46Å; P76-L79 HydrophobicContact CG-CD1 4.05Å; P76-L79 PolarHBondContact O-N 2.94Å; P76-L79 VanDerWaalsContact O-N 3.1Å; P76-L322 HydrophobicContact CG-CD1 4.19Å
77S64.1Low80.4Confident26 Ų2647.6 Ų47.618%0.18225%0.25CS..THydrogen-bonded Turntrans-58-22.9-176.165.60000114.1K4 L75 L79K4-S77 WeakPolarHBondContact O-CB 3.47Å; L75-S77 PolarHBondContact O-N 3.46Å; S77-L79 PolarHBondContact O-N 2.89Å
78N67.9Low80.4Confident98 Ų9846.1 Ų46.152%0.52425%0.249SC..THydrogen-bonded Turntrans-70.3-28.6179.5-65.7-20.4000113.5P76 E80P76-N78 PolarHBondContact O-N 3.26Å; N78-E80 PolarHBondContact O-N 3.11Å
79L75.5Confident80.4Confident8 Ų845.3 Ų45.34%0.04224%0.238CC..THydrogen-bonded Turntrans-74.9-24.9-172.5-70.2173.5000113.7L75 P76 S77 K81 E82 H95 V298L75-L79 HydrophobicContact CD2-CD1 3.9Å; P76-L79 HydrophobicContact CB-CD1 4.36Å; P76-L79 HydrophobicContact CB-CG 4.46Å; P76-L79 HydrophobicContact CG-CD1 4.05Å; P76-L79 PolarHBondContact O-N 2.94Å; P76-L79 VanDerWaalsContact O-N 3.1Å; S77-L79 PolarHBondContact O-N 2.89Å; L79-K81 VanDerWaalsContact C-N 3.28Å; L79-K81 PolarHBondContact O-N 2.99Å; L79-E82 PolarHBondContact O-N 3.35Å; L79-E82 VanDerWaalsContact O-N 3.09Å; L79-H95 PolarHBondContact O-CE1 2.74Å; L79-H95 PolarHBondContact O-ND1 2.98Å; L79-V298 HydrophobicContact CD1-CG2 3.87Å; L79-V298 HydrophobicContact CD2-CG1 3.73Å; L79-V298 HydrophobicContact CD2-CG2 3.9Å
80E74.8Confident80.3Confident103 Ų10345.5 Ų45.548%0.48124%0.239SC..G310 helixtrans-63.6-37.5-179.8-173169.5-142.200111.6T6 N78 E82 T83T6-E80 HydrophobicContact CG2-CB 3.89Å; T6-E80 HydrophobicContact CG2-CG 4.48Å; T6-E80 WeakPolarHBondContact CG2-OE2 3.42Å; N78-E80 PolarHBondContact O-N 3.11Å; E80-E82 PolarHBondContact O-N 2.97Å; E80-T83 PolarHBondContact O-N 2.97Å; E80-T83 PolarHBondContact O-OG1 3.44Å
81K78.5Confident80.3Confident168 Ų16846 Ų4673%0.7324%0.243SC*.G310 helixtrans-64.9-24.9176-65.6-178.2-178.8176.10112.7L79 Y146L79-K81 VanDerWaalsContact C-N 3.28Å; L79-K81 PolarHBondContact O-N 2.99Å; K81-Y146 WeakPolarHBondContact O-CE2 3.22Å; K81-Y146 PolarHBondContact O-OH 3.43Å
82E84.8Confident80.5Confident55 Ų5544.2 Ų44.226%0.25723%0.228SC..G310 helixtrans-9817.3-174.7-63.1177.9156.900113.1L79 E80 T84 H95 R96 Y146L79-E82 PolarHBondContact O-N 3.35Å; L79-E82 VanDerWaalsContact O-N 3.09Å; E80-E82 PolarHBondContact O-N 2.97Å; E82-T84 PolarHBondContact O-N 2.84Å; E82-H95 VanDerWaalsContact O-CA 3.3Å; E82-H95 WeakPolarHBondContact O-CA 3.33Å; E82-R96 HydrophobicContact CB-CG 4.1Å; E82-R96 VanDerWaalsContact CD-NH2 3.32Å; E82-R96 PolarHBondContact O-N 3.32Å; E82-R96 IonicContact OE1-CZ 2.92Å; E82-R96 IonicContact OE1-NE 2.73Å; E82-R96 PolarHBondContact OE1-NE 3.03Å; E82-R96 IonicContact OE1-NH2 3.3Å; E82-R96 PolarHBondContact OE1-NH2 2.9Å; E82-R96 IonicContact OE2-CZ 3.31Å; E82-R96 IonicContact OE2-NE 3.04Å; E82-R96 PolarHBondContact OE2-NE 2.96Å; E82-R96 IonicContact OE2-NH2 2.85Å; E82-R96 PolarHBondContact OE2-NH2 3.04Å; E82-Y146 WeakPolarHBondContact CA-OH 3.49Å
83T89.3Confident80.7Confident12 Ų1243.2 Ų43.27%0.07422%0.222CC..EExtended strand (participates in β ladder)trans-69.5118.6179.5-53.30000110.5E80 K93 H95 L131 Y146E80-T83 PolarHBondContact O-N 2.97Å; E80-T83 PolarHBondContact O-OG1 3.44Å; T83-K93 HydrophobicContact CG2-CD 4.47Å; T83-H95 PolarHBondContact OG1-CE1 3Å; T83-H95 PolarHBondContact OG1-ND1 3.23Å; T83-L131 WeakPolarHBondContact O-CA 3.45Å; T83-Y146 PolarHBondContact N-OH 3.37Å
84T91.6Very high81.4Confident1 Ų142.1 Ų42.11%0.00622%0.215CC..EExtended strand (participates in β ladder)trans-97.4-40.4-178540000112.3E82 L94 R96 L97 P129 N130 L131 F147E82-T84 PolarHBondContact O-N 2.84Å; T84-L94 PolarHBondContact N-O 2.92Å; T84-L94 PolarHBondContact OG1-O 3.48Å; T84-R96 WeakPolarHBondContact CG2-O 3.24Å; T84-R96 PolarHBondContact OG1-O 3.47Å; T84-R96 VanDerWaalsContact OG1-O 3.07Å; T84-L97 HydrophobicContact CG2-CG 4.09Å; T84-P129 WeakPolarHBondContact O-CB 3.46Å; T84-N130 PolarHBondContact O-N 2.94Å; T84-L131 WeakPolarHBondContact O-CA 3.32Å; T84-L131 PolarHBondContact O-N 3.48Å; T84-F147 HydrophobicContact CG2-CE1 4.29Å; T84-F147 HydrophobicContact CG2-CZ 3.91Å
85H91.9Very high82.2Confident11 Ų1138 Ų385%0.05119%0.193CC..EExtended strand (participates in β ladder)trans-149.4146.3179.3-169.578.2000113.2Y87 L94 I122 Q127 N130H85-Y87 AromaticContact NE2-CD1 3.93Å; H85-L94 HydrophobicContact CB-CB 4.42Å; H85-L94 PolarHBondContact N-O 3Å; H85-L94 PolarHBondContact O-N 2.77Å; H85-I122 HydrophobicContact CB-CD1 3.77Å; H85-Q127 PolarHBondContact CE1-NE2 3.41Å; H85-Q127 VanDerWaalsContact CE1-NE2 3.25Å; H85-Q127 PolarHBondContact NE2-NE2 3.46Å; H85-N130 VanDerWaalsContact CA-OD1 3.3Å; H85-N130 WeakPolarHBondContact CA-OD1 3.09Å; H85-N130 PolarHBondContact ND1-OD1 3.03Å
86R88.8Confident83.2Confident20 Ų2040.3 Ų40.38%0.07520%0.202CC..EExtended strand (participates in β ladder)trans-141.5132.4171.7-177.2176.5-169.8158.821.9110E52 C88 K93 N130 F134E52-R86 IonicContact OE1-CZ 3.48Å; E52-R86 IonicContact OE1-NH1 3.83Å; E52-R86 IonicContact OE1-NH2 3.45Å; E52-R86 PolarHBondContact OE1-NH2 3.01Å; E52-R86 IonicContact OE2-CZ 2.75Å; E52-R86 IonicContact OE2-NH1 3.09Å; E52-R86 PolarHBondContact OE2-NH1 3.27Å; E52-R86 IonicContact OE2-NH2 3.5Å; R86-C88 WeakPolarHBondContact CG-O 3.28Å; R86-C88 PolarHBondContact NE-O 3.12Å; R86-K93 HydrophobicContact CB-CG 4.38Å; R86-K93 HydrophobicContact CG-CG 4.06Å; R86-N130 PolarHBondContact N-OD1 3.42Å; R86-N130 PolarHBondContact O-ND2 3.38Å; R86-F134 HydrophobicContact CG-CD1 4.16Å
87Y86Confident84.4Confident104 Ų10438 Ų3841%0.40819%0.186SC..SBendtrans-73.4-47.3-178.8-74.6-80000112.9H85 F92 T118H85-Y87 AromaticContact NE2-CD1 3.93Å; Y87-F92 HydrophobicContact CD2-CD1 4.33Å; Y87-F92 HydrophobicContact CE2-CD1 4.17Å; Y87-T118 HydrophobicContact CE2-CG2 4.16Å; Y87-T118 WeakPolarHBondContact OH-CG2 3.19Å; Y87-T118 PolarHBondContact OH-OG1 3.09Å
88C83.2Confident85.8Confident45 Ų4536.8 Ų36.830%0.30418%0.178SC..SBendtrans-160.5177.8177.763.20000111.9R86 N90 S91R86-C88 WeakPolarHBondContact CG-O 3.28Å; R86-C88 PolarHBondContact NE-O 3.12Å; C88-N90 PolarHBondContact O-N 2.92Å; C88-S91 PolarHBondContact N-OG 2.87Å; C88-S91 PolarHBondContact O-N 2.83Å; C88-S91 PolarHBondContact O-OG 3.12Å; C88-S91 WeakPolarHBondContact SG-CB 3.47Å; C88-S91 PolarHBondContact SG-OG 2.94Å; C88-S91 VanDerWaalsContact SG-OG 3.33Å
89A81.8Confident86.9Confident28 Ų2833.2 Ų33.223%0.23116%0.158CC..THydrogen-bonded Turntrans-54.9137.317200000111.8S91 F134A89-S91 PolarHBondContact O-N 2.91Å; A89-S91 VanDerWaalsContact O-N 3.11Å; A89-F134 HydrophobicContact CB-CE1 4.47Å; A89-F134 HydrophobicContact CB-CE2 4.17Å; A89-F134 HydrophobicContact CB-CZ 3.74Å
90N83.7Confident87.7Confident6 Ų633.2 Ų33.23%0.03216%0.158CC..THydrogen-bonded Turntrans52.926.4-178.6-51.5120.1000116.4A9 I10 V11 I50 C88A9-N90 WeakPolarHBondContact O-CA 3.48Å; A9-N90 VanDerWaalsContact O-CB 3.26Å; A9-N90 WeakPolarHBondContact O-CB 3.32Å; A9-N90 PolarHBondContact O-ND2 3.48Å; I10-N90 VanDerWaalsContact CA-O 3.31Å; I10-N90 WeakPolarHBondContact CA-O 3.25Å; V11-N90 HydrophobicContact CB-CB 4.19Å; V11-N90 HydrophobicContact CG2-CB 3.77Å; V11-N90 PolarHBondContact N-O 2.86Å; I50-N90 PolarHBondContact N-OD1 3.41Å; I50-N90 PolarHBondContact O-ND2 3.3Å; I50-N90 PolarHBondContact O-OD1 3.12Å; C88-N90 PolarHBondContact O-N 2.92Å
91S85.2Confident88.5Confident15 Ų1532.3 Ų32.311%0.10515%0.151CC..SBendtrans-110.2-179172.570.30000112.6C88 A89 K93C88-S91 PolarHBondContact N-OG 2.87Å; C88-S91 PolarHBondContact O-N 2.83Å; C88-S91 PolarHBondContact O-OG 3.12Å; C88-S91 WeakPolarHBondContact SG-CB 3.47Å; C88-S91 PolarHBondContact SG-OG 2.94Å; C88-S91 VanDerWaalsContact SG-OG 3.33Å; A89-S91 PolarHBondContact O-N 2.91Å; A89-S91 VanDerWaalsContact O-N 3.11Å; S91-K93 PolarHBondContact O-N 2.81Å
92F86.4Confident89.1Confident22 Ų2227 Ų2710%0.09613%0.133CC..  trans-48.9131.7177.7179.2-96.8000113.1Y87 L94 I114 A295Y87-F92 HydrophobicContact CD2-CD1 4.33Å; Y87-F92 HydrophobicContact CE2-CD1 4.17Å; F92-L94 HydrophobicContact CE1-CB 4Å; F92-L94 HydrophobicContact CE1-CD1 4.46Å; F92-L94 HydrophobicContact CZ-CD1 4.32Å; F92-I114 VanDerWaalsContact CZ-C 3.47Å; F92-I114 VanDerWaalsContact CZ-O 3.3Å; F92-I114 WeakPolarHBondContact CZ-O 3.37Å; F92-A295 WeakPolarHBondContact CA-O 3.4Å
93K89.3Confident89.5Confident12 Ų1225.4 Ų25.45%0.05213%0.132CC..EExtended strand (participates in β ladder)trans-113.5133.8170.8-61.2-167.6-167.7175.40111.3I8 E52 T83 R86 S91 A295 Y296 G297I8-K93 HydrophobicContact CD1-CB 4.22Å; I8-K93 HydrophobicContact CD1-CD 3.63Å; I8-K93 HydrophobicContact CD1-CG 4.11Å; I8-K93 HydrophobicContact CG1-CD 3.98Å; E52-K93 IonicContact OE1-NZ 2.83Å; E52-K93 IonicContact OE2-NZ 3.47Å; E52-K93 PolarHBondContact OE2-NZ 2.83Å; T83-K93 HydrophobicContact CG2-CD 4.47Å; R86-K93 HydrophobicContact CB-CG 4.38Å; R86-K93 HydrophobicContact CG-CG 4.06Å; S91-K93 PolarHBondContact O-N 2.81Å; K93-A295 PolarHBondContact N-O 2.9Å; K93-Y296 CarbonylContact O-C 3.55Å; K93-Y296 WeakPolarHBondContact O-CA 3.47Å; K93-G297 PolarHBondContact O-N 3.17Å
94L92.4Very high89.7Confident0 Ų027.9 Ų27.90%014%0.143CC..EExtended strand (participates in β ladder)trans-98.9132.1168.6-171.363.6000109.2T84 H85 F92 L97 T118 A119 I122 V299T84-L94 PolarHBondContact N-O 2.92Å; T84-L94 PolarHBondContact OG1-O 3.48Å; H85-L94 HydrophobicContact CB-CB 4.42Å; H85-L94 PolarHBondContact N-O 3Å; H85-L94 PolarHBondContact O-N 2.77Å; F92-L94 HydrophobicContact CE1-CB 4Å; F92-L94 HydrophobicContact CE1-CD1 4.46Å; F92-L94 HydrophobicContact CZ-CD1 4.32Å; L94-L97 HydrophobicContact CD2-CD2 3.81Å; L94-T118 HydrophobicContact CD2-CG2 4.19Å; L94-A119 HydrophobicContact CD2-CB 4.15Å; L94-I122 HydrophobicContact CD2-CD1 4.1Å; L94-V299 HydrophobicContact CD1-CG2 4.36Å
95H91.6Very high89.9Confident1 Ų127.9 Ų27.91%0.00514%0.143CC..EExtended strand (participates in β ladder)trans-115.3133.1174.7-58.2-85.2000109.1L79 E82 T83 G297 V298 V299L79-H95 PolarHBondContact O-CE1 2.74Å; L79-H95 PolarHBondContact O-ND1 2.98Å; E82-H95 VanDerWaalsContact O-CA 3.3Å; E82-H95 WeakPolarHBondContact O-CA 3.33Å; T83-H95 PolarHBondContact OG1-CE1 3Å; T83-H95 PolarHBondContact OG1-ND1 3.23Å; H95-G297 PolarHBondContact N-O 3.15Å; H95-V298 HydrophobicContact CB-CB 4.41Å; H95-V298 HydrophobicContact CB-CG1 4.32Å; H95-V298 HydrophobicContact CB-CG2 4.07Å; H95-V299 PolarHBondContact O-N 3.23Å; H95-V299 VanDerWaalsContact O-N 3.1Å
96R91.8Very high90.1Very high55 Ų5527.7 Ų27.721%0.20814%0.142CC..SBendtrans58.1176-171.9-55.3173.1178.4176.41.1113.2E82 T84 V299 E320E82-R96 HydrophobicContact CB-CG 4.1Å; E82-R96 VanDerWaalsContact CD-NH2 3.32Å; E82-R96 PolarHBondContact O-N 3.32Å; E82-R96 IonicContact OE1-CZ 2.92Å; E82-R96 IonicContact OE1-NE 2.73Å; E82-R96 PolarHBondContact OE1-NE 3.03Å; E82-R96 IonicContact OE1-NH2 3.3Å; E82-R96 PolarHBondContact OE1-NH2 2.9Å; E82-R96 IonicContact OE2-CZ 3.31Å; E82-R96 IonicContact OE2-NE 3.04Å; E82-R96 PolarHBondContact OE2-NE 2.96Å; E82-R96 IonicContact OE2-NH2 2.85Å; E82-R96 PolarHBondContact OE2-NH2 3.04Å; T84-R96 WeakPolarHBondContact CG2-O 3.24Å; T84-R96 PolarHBondContact OG1-O 3.47Å; T84-R96 VanDerWaalsContact OG1-O 3.07Å; R96-V299 HydrophobicContact CB-CB 4.16Å; R96-V299 WeakPolarHBondContact CD-O 3.46Å; R96-E320 IonicContact CZ-OE1 3.04Å; R96-E320 IonicContact NH1-OE1 3.94Å; R96-E320 PolarHBondContact NH1-OE1 2.84Å; R96-E320 IonicContact NH1-OE2 3.29Å
97L93.8Very high90.5Very high8 Ų826.8 Ų26.84%0.04214%0.138CC..  trans-138.7149.6174.1-75.3172.3000108.4T84 L94 A119 I122 F147 L152 F156T84-L97 HydrophobicContact CG2-CG 4.09Å; L94-L97 HydrophobicContact CD2-CD2 3.81Å; L97-A119 HydrophobicContact CD2-CB 4.11Å; L97-I122 HydrophobicContact CD1-CG2 3.67Å; L97-I122 HydrophobicContact CD2-CB 4.33Å; L97-I122 HydrophobicContact CD2-CD1 4.09Å; L97-I122 HydrophobicContact CD2-CG2 4.19Å; L97-F147 HydrophobicContact CD1-CZ 3.99Å; L97-L152 HydrophobicContact CB-CD1 3.8Å; L97-F156 HydrophobicContact CD1-CE2 4.18Å; L97-F156 HydrophobicContact CD1-CZ 3.77Å
98P93.9Very high90.9Very high1 Ų121.8 Ų21.81%0.00612%0.119CC..  trans-70.4147.4175.231.7-32.4000109.2P100 L106 L108 A119 L123 C287 V299P98-P100 WeakPolarHBondContact O-CD 3.41Å; P98-L106 HydrophobicContact CB-CD2 3.9Å; P98-L108 HydrophobicContact CB-CD2 3.48Å; P98-L108 VanDerWaalsContact CB-CD2 3.48Å; P98-L108 HydrophobicContact CG-CD1 4.15Å; P98-L108 HydrophobicContact CG-CD2 3.79Å; P98-A119 HydrophobicContact CG-CB 4.32Å; P98-L123 HydrophobicContact CG-CD1 3.58Å; P98-C287 HydrophobicContact CB-CB 4.16Å; P98-V299 HydrophobicContact CB-CG1 3.9Å
99I91.2Very high91.3Very high23 Ų2319.7 Ų19.712%0.11811%0.105CC..  trans-103.399.2-170.5-56.4173.3000108.4L106 E151 L152 M301I99-L106 WeakPolarHBondContact O-CD2 3.27Å; I99-E151 HydrophobicContact CG2-CB 3.47Å; I99-E151 VanDerWaalsContact CG2-CB 3.47Å; I99-E151 HydrophobicContact CG2-CG 4.25Å; I99-E151 WeakPolarHBondContact CG2-OE2 3.3Å; I99-L152 HydrophobicContact CG1-CD1 4.38Å; I99-L152 HydrophobicContact CG1-CG 4.2Å; I99-M301 HydrophobicContact CD1-CE 4.19Å; I99-M301 HydrophobicContact CD1-SD 4.49Å
100P91.9Very high91.7Very high7 Ų718.3 Ų18.35%0.0459%0.093CC..  trans-75.1134.8179.433-35.9000110.7P98 L106 L123 Y155 Y268 I270P98-P100 WeakPolarHBondContact O-CD 3.41Å; P100-L106 HydrophobicContact CB-CD2 4.48Å; P100-L123 HydrophobicContact CG-CD2 4.41Å; P100-Y155 HydrophobicContact CB-CE2 4.44Å; P100-Y155 HydrophobicContact CG-CD1 4.3Å; P100-Y155 HydrophobicContact CG-CD2 3.66Å; P100-Y155 HydrophobicContact CG-CE1 4.25Å; P100-Y155 HydrophobicContact CG-CE2 3.59Å; P100-Y155 HydrophobicContact CG-CG 4.01Å; P100-Y268 HydrophobicContact CB-CD1 3.95Å; P100-Y268 HydrophobicContact CG-CD1 4.38Å; P100-I270 HydrophobicContact CB-CD1 3.95Å; P100-I270 HydrophobicContact CB-CG1 4.18Å; P100-I270 HydrophobicContact CG-CD1 4.43Å
101R91.8Very high91.9Very high84 Ų8418.9 Ų18.932%0.31710%0.097SC..  trans-113.3141.3173.7-69.1-179.5176.1173-3.3109.7E151R101-E151 IonicContact CZ-OE1 3.57Å; R101-E151 IonicContact CZ-OE2 3.99Å; R101-E151 IonicContact NE-OE1 2.89Å; R101-E151 PolarHBondContact NE-OE1 3.12Å; R101-E151 IonicContact NE-OE2 3.16Å; R101-E151 PolarHBondContact NE-OE2 3.37Å; R101-E151 IonicContact NH2-OE1 3.78Å; R101-E151 PolarHBondContact NH2-OE1 3.26Å; R101-E151 IonicContact NH2-OE2 2.68Å
102P91.8Very high91.9Very high56 Ų5620.7 Ų20.736%0.36411%0.105SC..BIsolated β-bridgetrans-76.7149.1179.636.4-36000109.9E104 P265 R267 Y268P102-E104 PolarHBondContact O-N 2.86Å; P102-P265 WeakPolarHBondContact CB-O 3.38Å; P102-R267 CarbonylContact C-O 3.59Å; P102-R267 VanDerWaalsContact CA-O 3.31Å; P102-R267 WeakPolarHBondContact CA-O 3.16Å; P102-Y268 HydrophobicContact CB-CD1 4.13Å; P102-Y268 HydrophobicContact CB-CE1 3.83Å; P102-Y268 HydrophobicContact CB-CE2 4.25Å; P102-Y268 HydrophobicContact CG-CE1 4.08Å
103G91.8Very high91.8Very high22 Ų2221.6 Ų21.623%0.22712%0.121CC..THydrogen-bonded Turntrans77.24-178.100000115.5I263 S264 R267G103-I263 WeakPolarHBondContact O-CG2 3.07Å; G103-S264 WeakPolarHBondContact CA-O 3.42Å; G103-S264 PolarHBondContact N-O 3.2Å; G103-R267 PolarHBondContact N-O 2.92Å
104E93.6Very high91.8Very high65 Ų6521 Ų2130%0.30412%0.118SC..SBendtrans-134.6154.1-178.8-62.3179.4156.800110.5P102 D284 F285P102-E104 PolarHBondContact O-N 2.86Å; E104-D284 HydrophobicContact CB-CB 4.5Å; E104-F285 VanDerWaalsContact CD-CE2 3.48Å; E104-F285 WeakPolarHBondContact OE1-CE2 3.32Å; E104-F285 VanDerWaalsContact OE2-CD2 3.3Å; E104-F285 WeakPolarHBondContact OE2-CD2 3.41Å; E104-F285 WeakPolarHBondContact OE2-CE2 3.42Å
105V95.9Very high91.6Very high1 Ų121.4 Ų21.41%0.00612%0.123CC..EExtended strand (participates in β ladder)trans-95.3116.9173.8-177.40000110I263 I269 V271 L282 D284 F285V105-I263 HydrophobicContact CG2-CD1 3.73Å; V105-I263 HydrophobicContact CG2-CG1 3.8Å; V105-I269 HydrophobicContact CG1-CG2 4.13Å; V105-I269 HydrophobicContact CG2-CB 4.2Å; V105-I269 HydrophobicContact CG2-CD1 4.29Å; V105-I269 HydrophobicContact CG2-CG2 4.09Å; V105-V271 HydrophobicContact CG1-CB 4.41Å; V105-V271 HydrophobicContact CG1-CG2 3.73Å; V105-L282 VanDerWaalsContact CB-O 3.32Å; V105-L282 WeakPolarHBondContact CB-O 3.44Å; V105-L282 WeakPolarHBondContact CG1-O 3.29Å; V105-D284 PolarHBondContact N-OD2 3.46Å; V105-D284 VanDerWaalsContact N-OD2 3.14Å; V105-D284 PolarHBondContact O-N 3.26Å; V105-F285 PolarHBondContact O-N 2.88Å
106L96.4Very high91.6Very high7 Ų721.8 Ų21.84%0.03712%0.124CC..EExtended strand (participates in β ladder)trans-90.6113.5172.8-176.364.8000110.8P98 I99 P100 I269 I270 V271 F285P98-L106 HydrophobicContact CB-CD2 3.9Å; I99-L106 WeakPolarHBondContact O-CD2 3.27Å; P100-L106 HydrophobicContact CB-CD2 4.48Å; L106-I269 PolarHBondContact N-O 2.94Å; L106-I270 WeakPolarHBondContact O-CA 3.28Å; L106-V271 PolarHBondContact O-N 3.44Å; L106-F285 HydrophobicContact CD1-CB 4.04Å
107G96.4Very high91.4Very high0 Ų020.9 Ų20.90%013%0.126CC..EExtended strand (participates in β ladder)trans-85.8139.6173.400000112.8V271 S283 F285 I286 C287G107-V271 CarbonylContact C-O 3.52Å; G107-V271 WeakPolarHBondContact CA-O 3.26Å; G107-S283 VanDerWaalsContact CA-OG 3.31Å; G107-S283 WeakPolarHBondContact CA-OG 3.27Å; G107-F285 PolarHBondContact N-O 2.97Å; G107-I286 CarbonylContact O-C 3.57Å; G107-I286 WeakPolarHBondContact O-CA 3.22Å; G107-C287 PolarHBondContact O-N 2.86Å
108L95.1Very high91.3Very high0 Ų021.1 Ų21.10%013%0.129CC..EExtended strand (participates in β ladder)trans-120.8123.6175-62.8174.8000109.8P98 L120 I270 V271 V272 E273 C287 L289P98-L108 HydrophobicContact CB-CD2 3.48Å; P98-L108 VanDerWaalsContact CB-CD2 3.48Å; P98-L108 HydrophobicContact CG-CD1 4.15Å; P98-L108 HydrophobicContact CG-CD2 3.79Å; L108-L120 HydrophobicContact CD1-CD2 4.15Å; L108-I270 HydrophobicContact CD1-CG2 3.6Å; L108-I270 HydrophobicContact CG-CG2 4.14Å; L108-V271 PolarHBondContact N-O 2.89Å; L108-V272 HydrophobicContact CB-CB 4.49Å; L108-V272 HydrophobicContact CB-CG2 3.88Å; L108-V272 HydrophobicContact CD1-CG2 3.74Å; L108-V272 HydrophobicContact CG-CG2 4.37Å; L108-E273 PolarHBondContact O-N 3.32Å; L108-C287 HydrophobicContact CD2-CB 3.62Å; L108-L289 HydrophobicContact CB-CD1 4.38Å; L108-L289 HydrophobicContact CD2-CD1 4.05Å
109V92.5Very high91.3Very high0 Ų021.1 Ų21.10%013%0.129CC..EExtended strand (participates in β ladder)trans-126.2141.7177.567.40000110.4L276 L279 I286 C287 C288 L289 F312V109-L276 HydrophobicContact CG2-CD2 3.78Å; V109-L279 HydrophobicContact CB-CD2 3.74Å; V109-L279 HydrophobicContact CG1-CD2 4.37Å; V109-L279 HydrophobicContact CG2-CD2 4.18Å; V109-I286 HydrophobicContact CG1-CG2 3.77Å; V109-C287 PolarHBondContact N-O 3Å; V109-C287 VanDerWaalsContact N-O 3.15Å; V109-C288 HydrophobicContact CG1-CB 4.24Å; V109-C288 CarbonylContact O-C 3.51Å; V109-C288 WeakPolarHBondContact O-CA 3.4Å; V109-L289 PolarHBondContact O-N 3.26Å; V109-F312 HydrophobicContact CG1-CB 4.36Å; V109-F312 HydrophobicContact CG1-CD2 4.09Å; V109-F312 HydrophobicContact CG1-CG 4.13Å; V109-F312 HydrophobicContact CG2-CD1 4.09Å; V109-F312 HydrophobicContact CG2-CD2 4.27Å; V109-F312 HydrophobicContact CG2-CE1 4.02Å; V109-F312 HydrophobicContact CG2-CE2 4.2Å; V109-F312 HydrophobicContact CG2-CG 4.22Å; V109-F312 HydrophobicContact CG2-CZ 4.08Å
110G89.7Confident91.3Very high0 Ų020.3 Ų20.30%012%0.124CC..EExtended strand (participates in β ladder)trans171.3164.7178.400000111.7K116 H274 L289G110-K116 PolarHBondContact O-NZ 3.29Å; G110-H274 PolarHBondContact O-CE1 3.42Å; G110-L289 WeakPolarHBondContact CA-O 3.44Å
111T86.9Confident91.3Very high17 Ų1724.8 Ų24.810%0.10414%0.143CC..  trans-66163.4177.753.30000111.9I114 D493 E495T111-I114 WeakPolarHBondContact O-CB 3.22Å; T111-I114 WeakPolarHBondContact O-CG2 3.3Å; T111-D493 WeakPolarHBondContact CA-OD2 3.2Å; T111-E495 HydrophobicContact CG2-CB 4.3Å; T111-E495 WeakPolarHBondContact CG2-OE2 3.44Å
112N86.1Confident91.4Very high53 Ų5320.8 Ų20.828%0.28313%0.128SC..THydrogen-bonded Turntrans-68.2142.8176.3-73.9-18.8000111.8I114 H274 P293 D493N112-I114 VanDerWaalsContact C-N 3.31Å; N112-I114 PolarHBondContact O-N 2.8Å; N112-H274 PolarHBondContact OD1-CE1 3.39Å; N112-H274 PolarHBondContact OD1-NE2 2.86Å; N112-P293 WeakPolarHBondContact O-CB 3.2Å; N112-D493 PolarHBondContact N-OD2 2.9Å
113G83.6Confident91.4Very high41 Ų4118.1 Ų18.142%0.42311%0.111SC..THydrogen-bonded Turntrans76.112.8-178.800000115.2S294G113-S294 PolarHBondContact O-N 3.37Å
114I88.9Confident91.3Very high0 Ų017.7 Ų17.70%011%0.105CC..SBendtrans-90.11.3178.1-151.466.7000114.3F92 T111 N112 K116 L289 Y296 G297F92-I114 VanDerWaalsContact CZ-C 3.47Å; F92-I114 VanDerWaalsContact CZ-O 3.3Å; F92-I114 WeakPolarHBondContact CZ-O 3.37Å; T111-I114 WeakPolarHBondContact O-CB 3.22Å; T111-I114 WeakPolarHBondContact O-CG2 3.3Å; N112-I114 VanDerWaalsContact C-N 3.31Å; N112-I114 PolarHBondContact O-N 2.8Å; I114-K116 HydrophobicContact CG2-CD 4.32Å; I114-K116 HydrophobicContact CG2-CG 3.94Å; I114-L289 HydrophobicContact CG1-CB 4.25Å; I114-L289 HydrophobicContact CG2-CB 3.53Å; I114-L289 HydrophobicContact CG2-CD2 4.04Å; I114-L289 HydrophobicContact CG2-CG 4.43Å; I114-Y296 WeakPolarHBondContact CD1-O 3.3Å; I114-G297 WeakPolarHBondContact O-CA 3.43Å
115G88.5Confident91Very high9 Ų916.3 Ų16.39%0.09311%0.109CC..SBendtrans97.112174.200000116.8S117 T118 A119G115-S117 PolarHBondContact O-N 3.47Å; G115-T118 WeakPolarHBondContact O-CA 3.36Å; G115-T118 WeakPolarHBondContact O-CB 3.39Å; G115-T118 PolarHBondContact O-N 2.85Å; G115-T118 VanDerWaalsContact O-N 3.08Å; G115-A119 PolarHBondContact O-N 3.44Å
116K90.9Very high90.7Very high8 Ų823.5 Ų23.54%0.03514%0.139CC..Hα-helixtrans-52-53.1174.7-62.8172.1-56-167.30112.4G110 I114 T118 A119 L120 V272 H274 L289G110-K116 PolarHBondContact O-NZ 3.29Å; I114-K116 HydrophobicContact CG2-CD 4.32Å; I114-K116 HydrophobicContact CG2-CG 3.94Å; K116-T118 VanDerWaalsContact C-N 3.27Å; K116-T118 PolarHBondContact O-N 2.77Å; K116-A119 WeakPolarHBondContact O-CB 3.45Å; K116-A119 PolarHBondContact O-N 3.18Å; K116-A119 VanDerWaalsContact O-N 3.14Å; K116-L120 PolarHBondContact O-N 3.12Å; K116-V272 HydrophobicContact CB-CG1 4.22Å; K116-V272 HydrophobicContact CB-CG2 4.42Å; K116-V272 HydrophobicContact CD-CG1 3.9Å; K116-H274 PolarHBondContact NZ-CE1 3.42Å; K116-H274 PolarHBondContact NZ-NE2 3.47Å; K116-L289 HydrophobicContact CB-CD2 4.5Å; K116-L289 HydrophobicContact CG-CD1 4.18Å; K116-L289 HydrophobicContact CG-CD2 3.77Å; K116-L289 HydrophobicContact CG-CG 4.4Å
117S88.8Confident90.4Very high36 Ų3624.9 Ų24.925%0.25215%0.146SC..Hα-helixtrans-66.9-28178.6-43.20000112.6G115 K121 D241G115-S117 PolarHBondContact O-N 3.47Å; S117-K121 VanDerWaalsContact O-CG 3.32Å; S117-K121 WeakPolarHBondContact O-CG 3.46Å; S117-K121 PolarHBondContact O-N 3.5Å; S117-D241 PolarHBondContact OG-OD2 3.21Å
118T91.3Very high90.1Very high14 Ų1428 Ų289%0.08616%0.159CC..Hα-helixtrans-67.9-43.9171.8-54.40000110.5Y87 L94 G115 K116 L120 K121 I122Y87-T118 HydrophobicContact CE2-CG2 4.16Å; Y87-T118 WeakPolarHBondContact OH-CG2 3.19Å; Y87-T118 PolarHBondContact OH-OG1 3.09Å; L94-T118 HydrophobicContact CD2-CG2 4.19Å; G115-T118 WeakPolarHBondContact O-CA 3.36Å; G115-T118 WeakPolarHBondContact O-CB 3.39Å; G115-T118 PolarHBondContact O-N 2.85Å; G115-T118 VanDerWaalsContact O-N 3.08Å; K116-T118 VanDerWaalsContact C-N 3.27Å; K116-T118 PolarHBondContact O-N 2.77Å; T118-L120 PolarHBondContact O-N 3.17Å; T118-K121 PolarHBondContact O-N 3.17Å; T118-I122 HydrophobicContact CG2-CD1 4.07Å; T118-I122 WeakPolarHBondContact O-CG1 3.34Å; T118-I122 PolarHBondContact O-N 2.85Å
119A93.4Very high90Very high1 Ų128 Ų281%0.00816%0.159CC..Hα-helixtrans-60.5-44175.200000111.5L94 L97 P98 G115 K116 K121 I122 L123L94-A119 HydrophobicContact CD2-CB 4.15Å; L97-A119 HydrophobicContact CD2-CB 4.11Å; P98-A119 HydrophobicContact CG-CB 4.32Å; G115-A119 PolarHBondContact O-N 3.44Å; K116-A119 WeakPolarHBondContact O-CB 3.45Å; K116-A119 PolarHBondContact O-N 3.18Å; K116-A119 VanDerWaalsContact O-N 3.14Å; A119-K121 PolarHBondContact O-N 3.17Å; A119-I122 PolarHBondContact O-N 3.08Å; A119-L123 VanDerWaalsContact O-CG 3.29Å; A119-L123 WeakPolarHBondContact O-CG 3.42Å; A119-L123 PolarHBondContact O-N 2.95Å
120L92.9Very high90Very high5 Ų528.5 Ų28.53%0.02616%0.162CC..Hα-helixtrans-60.1-44.5174.7-71.2-175.3000112.6L108 K116 T118 I122 L123 A124 M239 D241 I270 V272L108-L120 HydrophobicContact CD1-CD2 4.15Å; K116-L120 PolarHBondContact O-N 3.12Å; T118-L120 PolarHBondContact O-N 3.17Å; L120-I122 VanDerWaalsContact C-N 3.27Å; L120-I122 PolarHBondContact O-N 2.99Å; L120-L123 PolarHBondContact O-N 3.34Å; L120-A124 WeakPolarHBondContact O-CB 3.45Å; L120-A124 PolarHBondContact O-N 3.49Å; L120-M239 HydrophobicContact CB-SD 4.27Å; L120-M239 HydrophobicContact CD2-CB 4.37Å; L120-M239 HydrophobicContact CD2-CG 4.4Å; L120-M239 HydrophobicContact CD2-SD 3.89Å; L120-D241 HydrophobicContact CD1-CB 3.91Å; L120-I270 HydrophobicContact CD2-CB 4.28Å; L120-I270 HydrophobicContact CD2-CG2 3.66Å; L120-V272 HydrophobicContact CD1-CG2 3.58Å; L120-V272 HydrophobicContact CD2-CG2 4.18Å; L120-V272 HydrophobicContact CG-CG2 3.96Å
121K91.3Very high90Very high101 Ų10129.9 Ų29.944%0.43917%0.169SC..Hα-helixtrans-61.4-36.4177.5-75173.9-175.4179.60112.6S117 T118 A119 K126 Q127S117-K121 VanDerWaalsContact O-CG 3.32Å; S117-K121 WeakPolarHBondContact O-CG 3.46Å; S117-K121 PolarHBondContact O-N 3.5Å; T118-K121 PolarHBondContact O-N 3.17Å; A119-K121 PolarHBondContact O-N 3.17Å; K121-K126 PolarHBondContact O-N 3.16Å; K121-K126 VanDerWaalsContact O-N 3.09Å; K121-Q127 HydrophobicContact CB-CB 4.02Å; K121-Q127 PolarHBondContact O-N 2.97Å; K121-Q127 VanDerWaalsContact O-N 3.13Å
122I92.8Very high90Very high0 Ų030.1 Ų30.10%018%0.175CC..Hα-helixtrans-69.3-48177-67.4165000110.7H85 L94 L97 T118 A119 L120 A124 G125 Q127 P129 F156H85-I122 HydrophobicContact CB-CD1 3.77Å; L94-I122 HydrophobicContact CD2-CD1 4.1Å; L97-I122 HydrophobicContact CD1-CG2 3.67Å; L97-I122 HydrophobicContact CD2-CB 4.33Å; L97-I122 HydrophobicContact CD2-CD1 4.09Å; L97-I122 HydrophobicContact CD2-CG2 4.19Å; T118-I122 HydrophobicContact CG2-CD1 4.07Å; T118-I122 WeakPolarHBondContact O-CG1 3.34Å; T118-I122 PolarHBondContact O-N 2.85Å; A119-I122 PolarHBondContact O-N 3.08Å; L120-I122 VanDerWaalsContact C-N 3.27Å; L120-I122 PolarHBondContact O-N 2.99Å; I122-A124 PolarHBondContact O-N 2.98Å; I122-G125 PolarHBondContact O-N 3.04Å; I122-G125 VanDerWaalsContact O-N 3.09Å; I122-Q127 VanDerWaalsContact CA-O 3.31Å; I122-Q127 WeakPolarHBondContact CA-O 2.99Å; I122-Q127 HydrophobicContact CG1-CB 4.47Å; I122-P129 HydrophobicContact CG2-CB 4.22Å; I122-P129 HydrophobicContact CG2-CG 4.22Å; I122-F156 HydrophobicContact CG2-CE1 4.27Å; I122-F156 HydrophobicContact CG2-CZ 4.05Å
123L92.5Very high90Very high0 Ų032.6 Ų32.60%018%0.183CC..Hα-helixtrans-67.6-26.8179.6-65.7165.6000112.6P98 P100 A119 L120 G125 L152 Y155 I159 M239 I270P98-L123 HydrophobicContact CG-CD1 3.58Å; P100-L123 HydrophobicContact CG-CD2 4.41Å; A119-L123 VanDerWaalsContact O-CG 3.29Å; A119-L123 WeakPolarHBondContact O-CG 3.42Å; A119-L123 PolarHBondContact O-N 2.95Å; L120-L123 PolarHBondContact O-N 3.34Å; L123-G125 PolarHBondContact O-N 3.13Å; L123-L152 HydrophobicContact CD2-CD2 4.21Å; L123-Y155 HydrophobicContact CB-CE1 4.24Å; L123-Y155 HydrophobicContact CD2-CD1 4.17Å; L123-Y155 HydrophobicContact CD2-CE1 3.68Å; L123-Y155 PolarHBondContact O-OH 2.72Å; L123-I159 WeakPolarHBondContact O-CD1 3.46Å; L123-M239 VanDerWaalsContact C-CE 3.46Å; L123-M239 HydrophobicContact CB-CE 3.69Å; L123-I270 HydrophobicContact CB-CD1 4.33Å; L123-I270 HydrophobicContact CD1-CD1 3.8Å
124A90.5Very high90Very high14 Ų1433.6 Ų33.612%0.11618%0.176CC..THydrogen-bonded Turntrans-80.1-0.2175.500000113.2L120 I122 K126 A166 V168 M239L120-A124 WeakPolarHBondContact O-CB 3.45Å; L120-A124 PolarHBondContact O-N 3.49Å; I122-A124 PolarHBondContact O-N 2.98Å; A124-K126 HydrophobicContact CB-CG 4.24Å; A124-K126 PolarHBondContact O-N 3.34Å; A124-K126 VanDerWaalsContact O-N 3.1Å; A124-A166 HydrophobicContact CB-CB 4.21Å; A124-V168 HydrophobicContact CB-CG2 3.93Å; A124-M239 HydrophobicContact CB-CE 3.84Å; A124-M239 HydrophobicContact CB-SD 3.84Å
125G87.6Confident89.7Confident36 Ų3640.4 Ų40.437%0.37121%0.213SC..THydrogen-bonded Turntrans70.5-0.2-176.100000114.9I122 L123 Q127I122-G125 PolarHBondContact O-N 3.04Å; I122-G125 VanDerWaalsContact O-N 3.09Å; L123-G125 PolarHBondContact O-N 3.13Å; G125-Q127 VanDerWaalsContact C-N 3.28Å; G125-Q127 PolarHBondContact O-N 3.26Å
126K88.1Confident89.6Confident151 Ų15143.4 Ų43.466%0.65724%0.236SC*.SBendtrans-70.9-24.1179.3-66.8-173.9179.6178.50113K121 A124K121-K126 PolarHBondContact O-N 3.16Å; K121-K126 VanDerWaalsContact O-N 3.09Å; A124-K126 HydrophobicContact CB-CG 4.24Å; A124-K126 PolarHBondContact O-N 3.34Å; A124-K126 VanDerWaalsContact O-N 3.1Å
127Q89.8Confident89.3Confident37 Ų3746.8 Ų46.817%0.17326%0.259CS..SBendtrans-136.9119.8-180-175.8171-0.100110H85 K121 I122 G125H85-Q127 PolarHBondContact CE1-NE2 3.41Å; H85-Q127 VanDerWaalsContact CE1-NE2 3.25Å; H85-Q127 PolarHBondContact NE2-NE2 3.46Å; K121-Q127 HydrophobicContact CB-CB 4.02Å; K121-Q127 PolarHBondContact O-N 2.97Å; K121-Q127 VanDerWaalsContact O-N 3.13Å; I122-Q127 VanDerWaalsContact CA-O 3.31Å; I122-Q127 WeakPolarHBondContact CA-O 2.99Å; I122-Q127 HydrophobicContact CG1-CB 4.47Å; G125-Q127 VanDerWaalsContact C-N 3.28Å; G125-Q127 PolarHBondContact O-N 3.26Å
128K90.9Very high89.3Confident65 Ų6545.4 Ų45.428%0.28325%0.249SC..  trans-71.8133.7176.8-168.2-176.1-170.3-1730110.4P138 D139 W140 I143K128-P138 WeakPolarHBondContact CE-O 3.49Å; K128-P138 PolarHBondContact NZ-O 3.39Å; K128-D139 VanDerWaalsContact NZ-CA 3.35Å; K128-D139 IonicContact NZ-OD1 3.51Å; K128-D139 PolarHBondContact NZ-OD1 3.46Å; K128-W140 HydrophobicContact CB-CZ2 4.47Å; K128-W140 HydrophobicContact CG-CD2 4.47Å; K128-W140 HydrophobicContact CG-CZ2 4.01Å; K128-I143 HydrophobicContact CD-CD1 4Å; K128-I143 VanDerWaalsContact CE-CD1 3.44Å; K128-I143 HydrophobicContact CG-CD1 3.57Å
129P92.8Very high89.3Confident0 Ų050 Ų500%027%0.273CS..  trans-66.7140.6172.228.5-31.3000109.1T84 I122 I143T84-P129 WeakPolarHBondContact O-CB 3.46Å; I122-P129 HydrophobicContact CG2-CB 4.22Å; I122-P129 HydrophobicContact CG2-CG 4.22Å; P129-I143 HydrophobicContact CG-CD1 3.97Å; P129-I143 HydrophobicContact CG-CG1 4.31Å; P129-I143 HydrophobicContact CG-CG2 3.7Å; P129-I143 VanDerWaalsContact O-CD1 3.27Å; P129-I143 WeakPolarHBondContact O-CD1 3.44Å
130N92.8Very high89.1Confident11 Ų1153 Ų536%0.05928%0.284CS..  trans-111.73.9-176.670.4-3.5000113.5T84 H85 R86 G132 K133 P137 P138T84-N130 PolarHBondContact O-N 2.94Å; H85-N130 VanDerWaalsContact CA-OD1 3.3Å; H85-N130 WeakPolarHBondContact CA-OD1 3.09Å; H85-N130 PolarHBondContact ND1-OD1 3.03Å; R86-N130 PolarHBondContact N-OD1 3.42Å; R86-N130 PolarHBondContact O-ND2 3.38Å; N130-G132 PolarHBondContact O-N 3.24Å; N130-G132 PolarHBondContact OD1-N 3.32Å; N130-K133 WeakPolarHBondContact CB-O 3.17Å; N130-K133 WeakPolarHBondContact O-CA 3.28Å; N130-K133 WeakPolarHBondContact O-CB 3.36Å; N130-K133 PolarHBondContact O-N 2.91Å; N130-P137 HydrophobicContact CB-CB 4.13Å; N130-P138 WeakPolarHBondContact O-CD 3.28Å
131L90.3Very high88.9Confident29 Ų2960.3 Ų60.315%0.15232%0.318CS..THydrogen-bonded Turntrans54.228.7177-49.7-178.7000113.3T83 T84 K133 P138 I143 Y146 F147T83-L131 WeakPolarHBondContact O-CA 3.45Å; T84-L131 WeakPolarHBondContact O-CA 3.32Å; T84-L131 PolarHBondContact O-N 3.48Å; L131-K133 VanDerWaalsContact C-N 3.29Å; L131-K133 PolarHBondContact O-N 2.78Å; L131-P138 HydrophobicContact CB-CG 4.44Å; L131-P138 HydrophobicContact CD1-CG 4.11Å; L131-P138 HydrophobicContact CG-CG 4.08Å; L131-I143 HydrophobicContact CD1-CG1 4.35Å; L131-I143 HydrophobicContact CG-CG1 4.49Å; L131-Y146 HydrophobicContact CD1-CD1 4.36Å; L131-Y146 HydrophobicContact CD1-CD2 4.03Å; L131-Y146 HydrophobicContact CD1-CG 3.77Å; L131-Y146 HydrophobicContact CD2-CD1 3.56Å; L131-Y146 HydrophobicContact CD2-CD2 4.33Å; L131-Y146 HydrophobicContact CD2-CE1 3.8Å; L131-Y146 HydrophobicContact CD2-CG 3.84Å; L131-Y146 HydrophobicContact CG-CG 4.43Å; L131-F147 HydrophobicContact CD2-CE2 4.4Å
132G85.6Confident88.9Confident21 Ų2160.1 Ų60.122%0.21632%0.319CS..THydrogen-bonded Turntrans83.8-8.3-175.900000115.4N130 F134N130-G132 PolarHBondContact O-N 3.24Å; N130-G132 PolarHBondContact OD1-N 3.32Å; G132-F134 WeakPolarHBondContact O-CD1 3.27Å; G132-F134 PolarHBondContact O-N 2.68Å
133K87.1Confident88.7Confident105 Ų10560.1 Ų60.146%0.45732%0.319SS..  trans-86.789.1174.5-55.6177.8-173.1173.40110N130 L131 A136 P137 E142N130-K133 WeakPolarHBondContact CB-O 3.17Å; N130-K133 WeakPolarHBondContact O-CA 3.28Å; N130-K133 WeakPolarHBondContact O-CB 3.36Å; N130-K133 PolarHBondContact O-N 2.91Å; L131-K133 VanDerWaalsContact C-N 3.29Å; L131-K133 PolarHBondContact O-N 2.78Å; K133-A136 WeakPolarHBondContact CB-O 3.36Å; K133-P137 WeakPolarHBondContact O-CA 3.24Å; K133-E142 IonicContact NZ-OE2 2.95Å; K133-E142 PolarHBondContact NZ-OE2 3.28Å
134F83.5Confident88.7Confident62 Ų6261.8 Ų61.827%0.27233%0.328SS..SBendtrans-84.3-27.6-177.853.7-90.5000114.1R86 A89 G132R86-F134 HydrophobicContact CG-CD1 4.16Å; A89-F134 HydrophobicContact CB-CE1 4.47Å; A89-F134 HydrophobicContact CB-CE2 4.17Å; A89-F134 HydrophobicContact CB-CZ 3.74Å; G132-F134 WeakPolarHBondContact O-CD1 3.27Å; G132-F134 PolarHBondContact O-N 2.68Å
135D82.8Confident88.7Confident144 Ų14465.5 Ų65.577%0.7735%0.349SS*.SBendtrans-77.9-35.5179.3-62.6-43.9000112.6
136A86.4Confident88.8Confident71 Ų7167.9 Ų67.959%0.58735%0.348SS*.SBendtrans-132.483.1178.200000109K133K133-A136 WeakPolarHBondContact CB-O 3.36Å
137P85.2Confident88.9Confident80 Ų8061.5 Ų61.552%0.51932%0.32SS..PPolyproline II helixtrans-65.3133.3-177.225.3-32.5000110.7N130 K133N130-P137 HydrophobicContact CB-CB 4.13Å; K133-P137 WeakPolarHBondContact O-CA 3.24Å
138P88.6Confident88.9Confident6 Ų668.9 Ų68.94%0.03935%0.346CS..PPolyproline II helixtrans-66.7159.7-176.528.9-37.3000112.8K128 N130 L131 E142 I143K128-P138 WeakPolarHBondContact CE-O 3.49Å; K128-P138 PolarHBondContact NZ-O 3.39Å; N130-P138 WeakPolarHBondContact O-CD 3.28Å; L131-P138 HydrophobicContact CB-CG 4.44Å; L131-P138 HydrophobicContact CD1-CG 4.11Å; L131-P138 HydrophobicContact CG-CG 4.08Å; P138-E142 HydrophobicContact CB-CB 3.83Å; P138-E142 HydrophobicContact CB-CG 4.48Å; P138-E142 VanDerWaalsContact CB-OE2 3.25Å; P138-E142 WeakPolarHBondContact CB-OE2 3.48Å; P138-I143 HydrophobicContact CG-CD1 4.42Å; P138-I143 HydrophobicContact CG-CG1 4.06Å
139D90.4Very high88.7Confident111 Ų11169.5 Ų69.559%0.59437%0.371SS*.PPolyproline II helixtrans-77162.1171.7-78.4-34.3000113.9K128 Q141 E142 I143K128-D139 VanDerWaalsContact NZ-CA 3.35Å; K128-D139 IonicContact NZ-OD1 3.51Å; K128-D139 PolarHBondContact NZ-OD1 3.46Å; D139-Q141 PolarHBondContact O-N 2.96Å; D139-E142 WeakPolarHBondContact O-CB 3.3Å; D139-E142 PolarHBondContact O-N 3.2Å; D139-I143 WeakPolarHBondContact O-CG1 3.36Å; D139-I143 PolarHBondContact O-N 2.87Å
140W88.8Confident88.5Confident63 Ų6371.4 Ų71.424%0.23938%0.384CS..Hα-helixtrans-58.9-31.6-179.9-82115.6000112.4K128 I143 L144 F156 L160K128-W140 HydrophobicContact CB-CZ2 4.47Å; K128-W140 HydrophobicContact CG-CD2 4.47Å; K128-W140 HydrophobicContact CG-CZ2 4.01Å; W140-I143 HydrophobicContact CD2-CD1 4.29Å; W140-I143 HydrophobicContact CE3-CB 4.24Å; W140-I143 HydrophobicContact CE3-CD1 4.04Å; W140-I143 HydrophobicContact CE3-CG2 4.06Å; W140-I143 HydrophobicContact CZ3-CD1 4.49Å; W140-I143 HydrophobicContact CZ3-CG2 4.13Å; W140-I143 PolarHBondContact O-N 3.49Å; W140-L144 WeakPolarHBondContact O-CB 3.22Å; W140-L144 VanDerWaalsContact O-CG 3.26Å; W140-L144 WeakPolarHBondContact O-CG 3.22Å; W140-L144 PolarHBondContact O-N 3.47Å; W140-F156 HydrophobicContact CH2-CD1 4.01Å; W140-F156 HydrophobicContact CH2-CE1 4.32Å; W140-F156 HydrophobicContact CZ3-CB 4.27Å; W140-F156 AromaticContact CZ3-CD1 3.7Å; W140-F156 HydrophobicContact CZ3-CD1 3.7Å; W140-F156 HydrophobicContact CZ3-CE1 4.23Å; W140-F156 HydrophobicContact CZ3-CG 4.05Å; W140-L160 HydrophobicContact CB-CD1 3.83Å; W140-L160 HydrophobicContact CD2-CD1 3.81Å; W140-L160 HydrophobicContact CD2-CD2 3.92Å; W140-L160 HydrophobicContact CD2-CG 4.35Å; W140-L160 HydrophobicContact CE3-CD1 3.88Å; W140-L160 HydrophobicContact CG-CD1 3.82Å; W140-L160 HydrophobicContact CG-CD2 3.94Å; W140-L160 HydrophobicContact CZ2-CD2 4.38Å
141Q89.8Confident88.3Confident159 Ų15974.9 Ų74.974%0.74340%0.4SS*.Hα-helixtrans-62.1-43.6173.9-65.2177.2-6.200112.3D139 I143 T145D139-Q141 PolarHBondContact O-N 2.96Å; Q141-I143 VanDerWaalsContact C-N 3.35Å; Q141-T145 WeakPolarHBondContact O-CB 3.36Å; Q141-T145 PolarHBondContact O-N 3.41Å; Q141-T145 PolarHBondContact O-OG1 3.41Å
142E89.9Confident88.3Confident98 Ų9873.9 Ų73.946%0.45840%0.395SS..Hα-helixtrans-64.9-40.7174.5-81.1-169.5-157.400111.1K133 P138 D139 T145 Y146K133-E142 IonicContact NZ-OE2 2.95Å; K133-E142 PolarHBondContact NZ-OE2 3.28Å; P138-E142 HydrophobicContact CB-CB 3.83Å; P138-E142 HydrophobicContact CB-CG 4.48Å; P138-E142 VanDerWaalsContact CB-OE2 3.25Å; P138-E142 WeakPolarHBondContact CB-OE2 3.48Å; D139-E142 WeakPolarHBondContact O-CB 3.3Å; D139-E142 PolarHBondContact O-N 3.2Å; E142-T145 PolarHBondContact O-N 2.9Å; E142-Y146 WeakPolarHBondContact O-CB 3.49Å; E142-Y146 PolarHBondContact O-N 3.03Å
143I90.6Very high88.6Confident0 Ų075.3 Ų75.30%040%0.396CS..Hα-helixtrans-64.5-45.8178.6-65.1161.7000111.2K128 P129 L131 P138 D139 W140 Q141 T145 Y146 F147K128-I143 HydrophobicContact CD-CD1 4Å; K128-I143 VanDerWaalsContact CE-CD1 3.44Å; K128-I143 HydrophobicContact CG-CD1 3.57Å; P129-I143 HydrophobicContact CG-CD1 3.97Å; P129-I143 HydrophobicContact CG-CG1 4.31Å; P129-I143 HydrophobicContact CG-CG2 3.7Å; P129-I143 VanDerWaalsContact O-CD1 3.27Å; P129-I143 WeakPolarHBondContact O-CD1 3.44Å; L131-I143 HydrophobicContact CD1-CG1 4.35Å; L131-I143 HydrophobicContact CG-CG1 4.49Å; P138-I143 HydrophobicContact CG-CD1 4.42Å; P138-I143 HydrophobicContact CG-CG1 4.06Å; D139-I143 WeakPolarHBondContact O-CG1 3.36Å; D139-I143 PolarHBondContact O-N 2.87Å; W140-I143 HydrophobicContact CD2-CD1 4.29Å; W140-I143 HydrophobicContact CE3-CB 4.24Å; W140-I143 HydrophobicContact CE3-CD1 4.04Å; W140-I143 HydrophobicContact CE3-CG2 4.06Å; W140-I143 HydrophobicContact CZ3-CD1 4.49Å; W140-I143 HydrophobicContact CZ3-CG2 4.13Å; W140-I143 PolarHBondContact O-N 3.49Å; Q141-I143 VanDerWaalsContact C-N 3.35Å; I143-T145 VanDerWaalsContact C-N 3.29Å; I143-T145 PolarHBondContact O-N 2.95Å; I143-Y146 WeakPolarHBondContact O-CB 3.4Å; I143-Y146 PolarHBondContact O-N 2.83Å; I143-Y146 VanDerWaalsContact O-N 3.17Å; I143-F147 HydrophobicContact CG2-CD2 3.85Å; I143-F147 HydrophobicContact CG2-CE2 3.89Å; I143-F147 VanDerWaalsContact O-CD2 3.27Å; I143-F147 WeakPolarHBondContact O-CD2 3.42Å; I143-F147 PolarHBondContact O-N 3.31Å
144L90.8Very high88.7Confident34 Ų3475.3 Ų75.318%0.17840%0.401CS..Hα-helixtrans-64.2-36.4176.7-70.3173.6000111.6W140 Y146 F147 R148 Q153 F156 L160W140-L144 WeakPolarHBondContact O-CB 3.22Å; W140-L144 VanDerWaalsContact O-CG 3.26Å; W140-L144 WeakPolarHBondContact O-CG 3.22Å; W140-L144 PolarHBondContact O-N 3.47Å; L144-Y146 VanDerWaalsContact C-N 3.33Å; L144-F147 PolarHBondContact O-N 3.34Å; L144-R148 PolarHBondContact O-N 3.02Å; L144-Q153 HydrophobicContact CD2-CG 4.38Å; L144-F156 HydrophobicContact CD2-CB 3.68Å; L144-L160 HydrophobicContact CD1-CD1 4.13Å
145T91.3Very high89Confident93 Ų9372.6 Ų72.657%0.57139%0.389SS*.Hα-helixtrans-65.7-38.3173.9-56.50000111.4Q141 E142 I143 R148Q141-T145 WeakPolarHBondContact O-CB 3.36Å; Q141-T145 PolarHBondContact O-N 3.41Å; Q141-T145 PolarHBondContact O-OG1 3.41Å; E142-T145 PolarHBondContact O-N 2.9Å; I143-T145 VanDerWaalsContact C-N 3.29Å; I143-T145 PolarHBondContact O-N 2.95Å; T145-R148 WeakPolarHBondContact O-CB 3.24Å; T145-R148 PolarHBondContact O-N 3.34Å
146Y89.9Confident89.5Confident86 Ų8665.7 Ų65.734%0.33735%0.352SS..Hα-helixtrans-64.4-42176.5177.2-92.7000112.3K81 E82 T83 L131 E142 I143 L144 R148K81-Y146 WeakPolarHBondContact O-CE2 3.22Å; K81-Y146 PolarHBondContact O-OH 3.43Å; E82-Y146 WeakPolarHBondContact CA-OH 3.49Å; T83-Y146 PolarHBondContact N-OH 3.37Å; L131-Y146 HydrophobicContact CD1-CD1 4.36Å; L131-Y146 HydrophobicContact CD1-CD2 4.03Å; L131-Y146 HydrophobicContact CD1-CG 3.77Å; L131-Y146 HydrophobicContact CD2-CD1 3.56Å; L131-Y146 HydrophobicContact CD2-CD2 4.33Å; L131-Y146 HydrophobicContact CD2-CE1 3.8Å; L131-Y146 HydrophobicContact CD2-CG 3.84Å; L131-Y146 HydrophobicContact CG-CG 4.43Å; E142-Y146 WeakPolarHBondContact O-CB 3.49Å; E142-Y146 PolarHBondContact O-N 3.03Å; I143-Y146 WeakPolarHBondContact O-CB 3.4Å; I143-Y146 PolarHBondContact O-N 2.83Å; I143-Y146 VanDerWaalsContact O-N 3.17Å; L144-Y146 VanDerWaalsContact C-N 3.33Å; Y146-R148 PolarHBondContact O-N 3.03Å
147F90Very high89.6Confident16 Ų1663.8 Ų63.87%0.0733%0.333CS..THydrogen-bonded Turntrans-84.710.6177.6-71.1-68.5000113.8T84 L97 L131 I143 L144 G149 S150 L152 Q153 F156T84-F147 HydrophobicContact CG2-CE1 4.29Å; T84-F147 HydrophobicContact CG2-CZ 3.91Å; L97-F147 HydrophobicContact CD1-CZ 3.99Å; L131-F147 HydrophobicContact CD2-CE2 4.4Å; I143-F147 HydrophobicContact CG2-CD2 3.85Å; I143-F147 HydrophobicContact CG2-CE2 3.89Å; I143-F147 VanDerWaalsContact O-CD2 3.27Å; I143-F147 WeakPolarHBondContact O-CD2 3.42Å; I143-F147 PolarHBondContact O-N 3.31Å; L144-F147 PolarHBondContact O-N 3.34Å; F147-G149 PolarHBondContact O-N 3.38Å; F147-S150 WeakPolarHBondContact O-CB 3.42Å; F147-S150 PolarHBondContact O-N 3.23Å; F147-S150 PolarHBondContact O-OG 3.37Å; F147-L152 HydrophobicContact CB-CB 4.48Å; F147-L152 HydrophobicContact CD1-CB 4.13Å; F147-L152 HydrophobicContact CD1-CD1 3.95Å; F147-L152 HydrophobicContact CE1-CD1 3.84Å; F147-L152 HydrophobicContact CG-CB 4.34Å; F147-Q153 HydrophobicContact CB-CB 4.47Å; F147-Q153 WeakPolarHBondContact O-CB 3.46Å; F147-F156 HydrophobicContact CD2-CD2 4.05Å; F147-F156 AromaticContact CD2-CE2 3.85Å; F147-F156 HydrophobicContact CD2-CE2 3.85Å; F147-F156 HydrophobicContact CE2-CD2 4.41Å; F147-F156 AromaticContact CE2-CE2 3.78Å; F147-F156 HydrophobicContact CE2-CE2 3.78Å; F147-F156 HydrophobicContact CG-CE2 4.45Å; F147-F156 HydrophobicContact CZ-CE2 4.33Å
148R90.4Very high89.8Confident193 Ų19363.9 Ų63.973%0.72833%0.325SS*.THydrogen-bonded Turntrans-58.3131.3-172.2-166.9179-156.2171.27.5112.3L144 T145 Y146 S150 Q153L144-R148 PolarHBondContact O-N 3.02Å; T145-R148 WeakPolarHBondContact O-CB 3.24Å; T145-R148 PolarHBondContact O-N 3.34Å; Y146-R148 PolarHBondContact O-N 3.03Å; R148-S150 VanDerWaalsContact C-N 3.3Å; R148-Q153 VanDerWaalsContact CA-OE1 3.27Å
149G86.1Confident89.7Confident77 Ų7764.7 Ų64.779%0.79433%0.329SS*.THydrogen-bonded Turntrans80.85.6-178.500000114.7F147F147-G149 PolarHBondContact O-N 3.38Å
150S88.3Confident89.5Confident41 Ų4163 Ų6329%0.28732%0.32SS..SBendtrans-103.9157.417174.70000111.8F147 R148 L152 Q153F147-S150 WeakPolarHBondContact O-CB 3.42Å; F147-S150 PolarHBondContact O-N 3.23Å; F147-S150 PolarHBondContact O-OG 3.37Å; R148-S150 VanDerWaalsContact C-N 3.3Å; S150-L152 PolarHBondContact O-N 3.29Å; S150-L152 PolarHBondContact OG-N 2.73Å; S150-Q153 WeakPolarHBondContact O-CB 3.28Å; S150-Q153 PolarHBondContact O-N 2.88Å
151E87.9Confident89.4Confident84 Ų8467.3 Ų67.339%0.39334%0.342SS..Hα-helixtrans-58.3-27.5173.5-71.9-179.8-153.900112.4I99 R101 Q153 N154 Y155I99-E151 HydrophobicContact CG2-CB 3.47Å; I99-E151 VanDerWaalsContact CG2-CB 3.47Å; I99-E151 HydrophobicContact CG2-CG 4.25Å; I99-E151 WeakPolarHBondContact CG2-OE2 3.3Å; R101-E151 IonicContact CZ-OE1 3.57Å; R101-E151 IonicContact CZ-OE2 3.99Å; R101-E151 IonicContact NE-OE1 2.89Å; R101-E151 PolarHBondContact NE-OE1 3.12Å; R101-E151 IonicContact NE-OE2 3.16Å; R101-E151 PolarHBondContact NE-OE2 3.37Å; R101-E151 IonicContact NH2-OE1 3.78Å; R101-E151 PolarHBondContact NH2-OE1 3.26Å; R101-E151 IonicContact NH2-OE2 2.68Å; E151-Q153 VanDerWaalsContact C-N 3.29Å; E151-Q153 PolarHBondContact O-N 2.9Å; E151-N154 PolarHBondContact O-N 2.83Å; E151-Y155 PolarHBondContact O-N 3.31Å
152L91Very high88.6Confident8 Ų864.5 Ų64.54%0.04233%0.333CS..Hα-helixtrans-66.2-28.7176.8-71.5171.9000113.1L97 I99 L123 F147 S150 N154 Y155 F156L97-L152 HydrophobicContact CB-CD1 3.8Å; I99-L152 HydrophobicContact CG1-CD1 4.38Å; I99-L152 HydrophobicContact CG1-CG 4.2Å; L123-L152 HydrophobicContact CD2-CD2 4.21Å; F147-L152 HydrophobicContact CB-CB 4.48Å; F147-L152 HydrophobicContact CD1-CB 4.13Å; F147-L152 HydrophobicContact CD1-CD1 3.95Å; F147-L152 HydrophobicContact CE1-CD1 3.84Å; F147-L152 HydrophobicContact CG-CB 4.34Å; S150-L152 PolarHBondContact O-N 3.29Å; S150-L152 PolarHBondContact OG-N 2.73Å; L152-N154 VanDerWaalsContact C-N 3.33Å; L152-Y155 PolarHBondContact O-N 2.89Å; L152-F156 HydrophobicContact CB-CD2 4.31Å; L152-F156 HydrophobicContact CB-CE2 4.19Å; L152-F156 WeakPolarHBondContact O-CD2 3.4Å; L152-F156 PolarHBondContact O-N 3.13Å
153Q91.4Very high88.1Confident50 Ų5066.5 Ų66.523%0.23435%0.346CS..Hα-helixtrans-59.8-48.7174.8-173.8-172.8-3.100110.1L144 F147 R148 S150 E151 Y155 F156 T157L144-Q153 HydrophobicContact CD2-CG 4.38Å; F147-Q153 HydrophobicContact CB-CB 4.47Å; F147-Q153 WeakPolarHBondContact O-CB 3.46Å; R148-Q153 VanDerWaalsContact CA-OE1 3.27Å; S150-Q153 WeakPolarHBondContact O-CB 3.28Å; S150-Q153 PolarHBondContact O-N 2.88Å; E151-Q153 VanDerWaalsContact C-N 3.29Å; E151-Q153 PolarHBondContact O-N 2.9Å; Q153-Y155 VanDerWaalsContact C-N 3.33Å; Q153-Y155 PolarHBondContact O-N 3.35Å; Q153-F156 PolarHBondContact O-N 3Å; Q153-T157 WeakPolarHBondContact O-CB 3.39Å; Q153-T157 PolarHBondContact O-N 2.94Å; Q153-T157 PolarHBondContact O-OG1 2.88Å
154N89.4Confident87.9Confident106 Ų10667.7 Ų67.757%0.56735%0.352SS*.Hα-helixtrans-63.1-43179-67.3-15000110.5E151 L152 T157 K158E151-N154 PolarHBondContact O-N 2.83Å; L152-N154 VanDerWaalsContact C-N 3.33Å; N154-T157 PolarHBondContact O-N 2.83Å; N154-K158 WeakPolarHBondContact O-CG 3.45Å; N154-K158 PolarHBondContact O-N 2.68Å
155Y91.2Very high87.8Confident4 Ų470.7 Ų70.72%0.01636%0.364CS..Hα-helixtrans-59.8-49.2177.5-179.5-99.7000112.8P100 L123 E151 L152 Q153 T157 K158 I159 I237 Y268P100-Y155 HydrophobicContact CB-CE2 4.44Å; P100-Y155 HydrophobicContact CG-CD1 4.3Å; P100-Y155 HydrophobicContact CG-CD2 3.66Å; P100-Y155 HydrophobicContact CG-CE1 4.25Å; P100-Y155 HydrophobicContact CG-CE2 3.59Å; P100-Y155 HydrophobicContact CG-CG 4.01Å; L123-Y155 HydrophobicContact CB-CE1 4.24Å; L123-Y155 HydrophobicContact CD2-CD1 4.17Å; L123-Y155 HydrophobicContact CD2-CE1 3.68Å; L123-Y155 PolarHBondContact O-OH 2.72Å; E151-Y155 PolarHBondContact O-N 3.31Å; L152-Y155 PolarHBondContact O-N 2.89Å; Q153-Y155 VanDerWaalsContact C-N 3.33Å; Q153-Y155 PolarHBondContact O-N 3.35Å; Y155-T157 VanDerWaalsContact C-N 3.34Å; Y155-T157 PolarHBondContact O-N 2.83Å; Y155-K158 PolarHBondContact O-N 3.12Å; Y155-I159 HydrophobicContact CD1-CD1 3.78Å; Y155-I159 HydrophobicContact CE1-CD1 3.2Å; Y155-I159 HydrophobicContact CE1-CG1 4.25Å; Y155-I159 HydrophobicContact CE2-CD1 4.42Å; Y155-I159 WeakPolarHBondContact O-CG1 3.39Å; Y155-I159 PolarHBondContact O-N 2.84Å; Y155-I237 HydrophobicContact CE2-CD1 4.05Å; Y155-I237 HydrophobicContact CE2-CG1 4.25Å; Y155-I237 VanDerWaalsContact OH-CD1 3.27Å; Y155-I237 WeakPolarHBondContact OH-CD1 3.43Å; Y155-Y268 HydrophobicContact CD2-CD1 4.19Å; Y155-Y268 AromaticContact CD2-CE1 3.94Å; Y155-Y268 HydrophobicContact CD2-CE1 3.94Å; Y155-Y268 HydrophobicContact CE2-CD1 4.11Å; Y155-Y268 HydrophobicContact CE2-CD2 4.36Å; Y155-Y268 HydrophobicContact CE2-CE1 4.3Å; Y155-Y268 HydrophobicContact CE2-CG 4.12Å
156F91.3Very high87.8Confident0 Ų067.7 Ų67.70%035%0.349CS..Hα-helixtrans-67.7-34177.8-72.5-55000112.8L97 I122 W140 L144 F147 L152 Q153 I159 L160L97-F156 HydrophobicContact CD1-CE2 4.18Å; L97-F156 HydrophobicContact CD1-CZ 3.77Å; I122-F156 HydrophobicContact CG2-CE1 4.27Å; I122-F156 HydrophobicContact CG2-CZ 4.05Å; W140-F156 HydrophobicContact CH2-CD1 4.01Å; W140-F156 HydrophobicContact CH2-CE1 4.32Å; W140-F156 HydrophobicContact CZ3-CB 4.27Å; W140-F156 AromaticContact CZ3-CD1 3.7Å; W140-F156 HydrophobicContact CZ3-CD1 3.7Å; W140-F156 HydrophobicContact CZ3-CE1 4.23Å; W140-F156 HydrophobicContact CZ3-CG 4.05Å; L144-F156 HydrophobicContact CD2-CB 3.68Å; F147-F156 HydrophobicContact CD2-CD2 4.05Å; F147-F156 AromaticContact CD2-CE2 3.85Å; F147-F156 HydrophobicContact CD2-CE2 3.85Å; F147-F156 HydrophobicContact CE2-CD2 4.41Å; F147-F156 AromaticContact CE2-CE2 3.78Å; F147-F156 HydrophobicContact CE2-CE2 3.78Å; F147-F156 HydrophobicContact CG-CE2 4.45Å; F147-F156 HydrophobicContact CZ-CE2 4.33Å; L152-F156 HydrophobicContact CB-CD2 4.31Å; L152-F156 HydrophobicContact CB-CE2 4.19Å; L152-F156 WeakPolarHBondContact O-CD2 3.4Å; L152-F156 PolarHBondContact O-N 3.13Å; Q153-F156 PolarHBondContact O-N 3Å; F156-I159 HydrophobicContact CD1-CD1 4.37Å; F156-I159 PolarHBondContact O-N 2.86Å; F156-L160 VanDerWaalsContact O-CG 3.32Å; F156-L160 WeakPolarHBondContact O-CG 3.38Å; F156-L160 PolarHBondContact O-N 2.85Å; F156-L160 VanDerWaalsContact O-N 3.13Å
157T90.3Very high88Confident30 Ų3064.3 Ų64.318%0.18434%0.336CS..Hα-helixtrans-61.8-47.1174.1-53.60000110.1Q153 N154 Y155 I159 L160 E161Q153-T157 WeakPolarHBondContact O-CB 3.39Å; Q153-T157 PolarHBondContact O-N 2.94Å; Q153-T157 PolarHBondContact O-OG1 2.88Å; N154-T157 PolarHBondContact O-N 2.83Å; Y155-T157 VanDerWaalsContact C-N 3.34Å; Y155-T157 PolarHBondContact O-N 2.83Å; T157-I159 PolarHBondContact O-N 2.83Å; T157-L160 PolarHBondContact O-N 3.29Å; T157-L160 VanDerWaalsContact O-N 3.07Å; T157-E161 VanDerWaalsContact CG2-CD 3.44Å; T157-E161 HydrophobicContact CG2-CG 4.13Å; T157-E161 WeakPolarHBondContact CG2-OE2 3.49Å; T157-E161 WeakPolarHBondContact O-CB 3.32Å; T157-E161 PolarHBondContact O-N 2.84Å
158K88.3Confident88.1Confident82 Ų8265.3 Ų65.336%0.35734%0.343SS..Hα-helixtrans-61.6-39.3175.2-68-173172.4-169.80113.2N154 Y155 L160 D162 D163 L164N154-K158 WeakPolarHBondContact O-CG 3.45Å; N154-K158 PolarHBondContact O-N 2.68Å; Y155-K158 PolarHBondContact O-N 3.12Å; K158-L160 PolarHBondContact O-N 2.9Å; K158-D162 HydrophobicContact CB-CB 4.49Å; K158-D162 WeakPolarHBondContact CG-OD2 2.96Å; K158-D162 WeakPolarHBondContact O-CA 3.46Å; K158-D162 VanDerWaalsContact O-CB 3.29Å; K158-D162 WeakPolarHBondContact O-CB 3.29Å; K158-D162 PolarHBondContact O-N 2.81Å; K158-D163 PolarHBondContact O-N 2.91Å; K158-L164 HydrophobicContact CB-CD1 3.63Å; K158-L164 HydrophobicContact CB-CG 4.08Å; K158-L164 HydrophobicContact CD-CD1 4.47Å
159I87.8Confident88.1Confident24 Ų2456.1 Ų56.112%0.12331%0.309CS..Hα-helixtrans-59.4-36.5174.7-74175.9000111.5L123 Y155 F156 T157 L164 I237L123-I159 WeakPolarHBondContact O-CD1 3.46Å; Y155-I159 HydrophobicContact CD1-CD1 3.78Å; Y155-I159 HydrophobicContact CE1-CD1 3.2Å; Y155-I159 HydrophobicContact CE1-CG1 4.25Å; Y155-I159 HydrophobicContact CE2-CD1 4.42Å; Y155-I159 WeakPolarHBondContact O-CG1 3.39Å; Y155-I159 PolarHBondContact O-N 2.84Å; F156-I159 HydrophobicContact CD1-CD1 4.37Å; F156-I159 PolarHBondContact O-N 2.86Å; T157-I159 PolarHBondContact O-N 2.83Å; I159-L164 HydrophobicContact CG1-CB 4.35Å; I159-L164 HydrophobicContact CG1-CD1 4.23Å; I159-I237 HydrophobicContact CD1-CD1 4.35Å; I159-I237 HydrophobicContact CG1-CD1 4.24Å
160L85.7Confident87.9Confident76 Ų7655.5 Ų55.540%0.39829%0.291SS..Hα-helixtrans-84.6-37.4-177.2-66.8169.4000113.3W140 L144 F156 T157 K158W140-L160 HydrophobicContact CB-CD1 3.83Å; W140-L160 HydrophobicContact CD2-CD1 3.81Å; W140-L160 HydrophobicContact CD2-CD2 3.92Å; W140-L160 HydrophobicContact CD2-CG 4.35Å; W140-L160 HydrophobicContact CE3-CD1 3.88Å; W140-L160 HydrophobicContact CG-CD1 3.82Å; W140-L160 HydrophobicContact CG-CD2 3.94Å; W140-L160 HydrophobicContact CZ2-CD2 4.38Å; L144-L160 HydrophobicContact CD1-CD1 4.13Å; F156-L160 VanDerWaalsContact O-CG 3.32Å; F156-L160 WeakPolarHBondContact O-CG 3.38Å; F156-L160 PolarHBondContact O-N 2.85Å; F156-L160 VanDerWaalsContact O-N 3.13Å; T157-L160 PolarHBondContact O-N 3.29Å; T157-L160 VanDerWaalsContact O-N 3.07Å; K158-L160 PolarHBondContact O-N 2.9Å
161E85.4Confident87.5Confident152 Ų15255.8 Ų55.871%0.7129%0.288SS*.Hα-helixtrans-95.2-42.9-173.9-65.9-178.3174.100112.8T157T157-E161 VanDerWaalsContact CG2-CD 3.44Å; T157-E161 HydrophobicContact CG2-CG 4.13Å; T157-E161 WeakPolarHBondContact CG2-OE2 3.49Å; T157-E161 WeakPolarHBondContact O-CB 3.32Å; T157-E161 PolarHBondContact O-N 2.84Å
162D74.4Confident86.9Confident101 Ų10158.3 Ų58.354%0.5430%0.295SS..SBendtrans-93.71.7-175.7-60.4-32.4000113K158 L164K158-D162 HydrophobicContact CB-CB 4.49Å; K158-D162 WeakPolarHBondContact CG-OD2 2.96Å; K158-D162 WeakPolarHBondContact O-CA 3.46Å; K158-D162 VanDerWaalsContact O-CB 3.29Å; K158-D162 WeakPolarHBondContact O-CB 3.29Å; K158-D162 PolarHBondContact O-N 2.81Å; D162-L164 VanDerWaalsContact C-N 3.25Å; D162-L164 HydrophobicContact CB-CD2 4.18Å; D162-L164 HydrophobicContact CB-CG 4.44Å; D162-L164 PolarHBondContact O-N 2.98Å
163D78.9Confident86.2Confident139 Ų13958 Ų5874%0.74329%0.293SS*.  trans45.946.8-177.5-162.324.3000112.9K158 K165K158-D163 PolarHBondContact O-N 2.91Å; D163-K165 PolarHBondContact O-N 3.31Å; D163-K165 VanDerWaalsContact O-N 3.11Å
164L86Confident85.4Confident25 Ų2559.5 Ų59.513%0.13130%0.303CS..  trans-53.6120.4-178.3-65.7-176000110.6K158 I159 D162 A166 D236 I237 Y268K158-L164 HydrophobicContact CB-CD1 3.63Å; K158-L164 HydrophobicContact CB-CG 4.08Å; K158-L164 HydrophobicContact CD-CD1 4.47Å; I159-L164 HydrophobicContact CG1-CB 4.35Å; I159-L164 HydrophobicContact CG1-CD1 4.23Å; D162-L164 VanDerWaalsContact C-N 3.25Å; D162-L164 HydrophobicContact CB-CD2 4.18Å; D162-L164 HydrophobicContact CB-CG 4.44Å; D162-L164 PolarHBondContact O-N 2.98Å; L164-A166 PolarHBondContact O-N 3.12Å; L164-D236 HydrophobicContact CB-CB 4.32Å; L164-D236 HydrophobicContact CD2-CB 3.79Å; L164-I237 HydrophobicContact CB-CD1 3.74Å; L164-I237 HydrophobicContact CB-CG1 4.44Å; L164-I237 HydrophobicContact CD1-CD1 4.02Å; L164-I237 HydrophobicContact CD1-CG1 4.44Å; L164-Y268 HydrophobicContact CD1-CE2 4.16Å
165K89.6Confident84.8Confident98 Ų9860.1 Ų60.143%0.42630%0.302SS..  trans-81.3114.4-178-174.3177.8169.3-159.30109.5D163 D193 R234 A235 D236 I237D163-K165 PolarHBondContact O-N 3.31Å; D163-K165 VanDerWaalsContact O-N 3.11Å; K165-D193 IonicContact NZ-OD2 3.51Å; K165-R234 WeakPolarHBondContact CD-O 3.5Å; K165-R234 PolarHBondContact NZ-O 3.43Å; K165-A235 HydrophobicContact CG-CB 4.45Å; K165-A235 VanDerWaalsContact O-CB 3.27Å; K165-A235 WeakPolarHBondContact O-CB 3.41Å; K165-D236 PolarHBondContact N-OD2 3.29Å; K165-D236 PolarHBondContact O-N 2.91Å; K165-D236 VanDerWaalsContact O-N 3.16Å; K165-I237 PolarHBondContact O-N 3.45Å
166A91.1Very high84.4Confident29 Ų2960.8 Ų60.824%0.2431%0.306CS..EExtended strand (participates in β ladder)trans-96.5126.5176.200000112.6A124 L164 I237A124-A166 HydrophobicContact CB-CB 4.21Å; L164-A166 PolarHBondContact O-N 3.12Å; A166-I237 WeakPolarHBondContact CA-O 3.36Å; A166-I237 HydrophobicContact CB-CB 4.02Å; A166-I237 HydrophobicContact CB-CD1 4.16Å; A166-I237 HydrophobicContact CB-CG2 4.36Å
167I93.2Very high83.9Confident15 Ų1562 Ų628%0.07731%0.314CS..EExtended strand (participates in β ladder)trans-113.8132.9173.9-61.1172.7000109.1V230 Q233 A235 I237 M239I167-V230 HydrophobicContact CG2-CB 4.16Å; I167-V230 HydrophobicContact CG2-CG1 3.77Å; I167-V230 HydrophobicContact CG2-CG2 3.8Å; I167-Q233 HydrophobicContact CD1-CB 3.32Å; I167-Q233 HydrophobicContact CD1-CG 4.26Å; I167-Q233 VanDerWaalsContact CD1-OE1 3.27Å; I167-A235 HydrophobicContact CB-CB 4.32Å; I167-A235 HydrophobicContact CD1-CB 3.28Å; I167-A235 HydrophobicContact CG1-CB 3.61Å; I167-I237 PolarHBondContact N-O 3.46Å; I167-M239 PolarHBondContact O-N 2.98Å
168V91.5Very high83.6Confident37 Ų3768.8 Ų68.822%0.22434%0.341CS..EExtended strand (participates in β ladder)trans-125.4122.7-176-173.60000109.5A124 M239A124-V168 HydrophobicContact CB-CG2 3.93Å; V168-M239 WeakPolarHBondContact CA-O 3.18Å; V168-M239 HydrophobicContact CB-CB 4.38Å; V168-M239 HydrophobicContact CG1-CB 4.19Å; V168-M239 HydrophobicContact CG2-CB 4.1Å; V168-M239 HydrophobicContact CG2-CG 4.35Å; V168-M239 HydrophobicContact CG2-SD 4.02Å
169K92.2Very high83.3Confident0 Ų070.2 Ų70.20%036%0.357CS..EExtended strand (participates in β ladder)trans-70.2121.8163.7-178.5-95.2171.7-169.60108.2Q171 Q223 A226 V230 M239 F240 D241 E242K169-Q171 PolarHBondContact NZ-O 3.19Å; K169-Q223 VanDerWaalsContact NZ-OE1 3.13Å; K169-A226 HydrophobicContact CG-CB 4.26Å; K169-V230 HydrophobicContact CB-CG2 4.03Å; K169-M239 PolarHBondContact N-O 3.4Å; K169-F240 HydrophobicContact CB-CD1 4.13Å; K169-D241 WeakPolarHBondContact CD-O 3.49Å; K169-D241 PolarHBondContact NZ-O 2.91Å; K169-E242 PolarHBondContact NZ-O 3.39Å
170P81.2Confident83Confident64 Ų6470.9 Ų70.942%0.41636%0.361SS..  trans-67.8142.4179.627.6-34000111.6I176P170-I176 HydrophobicContact CG-CD1 4.12Å; P170-I176 HydrophobicContact CG-CG1 4.18Å
171Q79.3Confident83Confident48 Ų4874.9 Ų74.922%0.22438%0.376CS..SBendtrans-57.5-54.3178.5-167-177.411.200111.5K169 V173 D241 E242K169-Q171 PolarHBondContact NZ-O 3.19Å; Q171-V173 PolarHBondContact O-N 2.66Å; Q171-D241 HydrophobicContact CB-CB 4.23Å; Q171-E242 PolarHBondContact NE2-OE1 2.89Å
172Y76.3Confident83.1Confident137 Ų13769.1 Ų69.154%0.53736%0.357SS..  trans-86.898-178.3-59.3-70.7000112.2D174 Q175Y172-D174 PolarHBondContact O-N 3.41Å; Y172-Q175 PolarHBondContact O-N 3.47Å
173V75.9Confident83.9Confident1 Ų166.6 Ų66.61%0.00635%0.346CS..G310 helixtrans-66.9-26.2176.3-68.70000113.2Q171 Q175 I176 P177 L222 A226 Y246Q171-V173 PolarHBondContact O-N 2.66Å; V173-Q175 PolarHBondContact O-N 3.47Å; V173-I176 HydrophobicContact CB-CD1 3.94Å; V173-I176 HydrophobicContact CG1-CD1 3.8Å; V173-I176 VanDerWaalsContact O-CB 3.29Å; V173-I176 WeakPolarHBondContact O-CB 3.34Å; V173-I176 WeakPolarHBondContact O-CG1 3.41Å; V173-I176 PolarHBondContact O-N 3.46Å; V173-P177 WeakPolarHBondContact O-CD 3.35Å; V173-L222 HydrophobicContact CB-CD2 3.99Å; V173-L222 HydrophobicContact CB-CG 4.13Å; V173-L222 HydrophobicContact CG2-CD2 4.33Å; V173-L222 WeakPolarHBondContact O-CD2 3.39Å; V173-A226 HydrophobicContact CG1-CB 4.3Å; V173-Y246 HydrophobicContact CG2-CD2 3.96Å; V173-Y246 HydrophobicContact CG2-CE2 3.78Å
174D74Confident84.4Confident82 Ų8260 Ų6044%0.43931%0.31SS..G310 helixtrans-60.7-14.3179.3-54.4-58.6000114.1Y172 Y246Y172-D174 PolarHBondContact O-N 3.41Å; D174-Y246 PolarHBondContact OD2-OH 3.07Å; D174-Y246 VanDerWaalsContact OD2-OH 3.13Å
175Q78.1Confident84.5Confident118 Ų11859.1 Ų59.155%0.55131%0.307SS*.G310 helixtrans-90.2-17.6176.1-59.7-174.25.800113.2Y172 V173 K178 T179Y172-Q175 PolarHBondContact O-N 3.47Å; V173-Q175 PolarHBondContact O-N 3.47Å; Q175-K178 WeakPolarHBondContact O-CB 3.37Å; Q175-K178 PolarHBondContact O-N 2.75Å; Q175-T179 PolarHBondContact O-OG1 3.11Å
176I81.8Confident84.6Confident18 Ų1857.4 Ų57.49%0.09231%0.308CS..Hα-helixtrans-59.3-46.9-178.6-61172000111.5P170 V173 K178 T179 V180 V214 L222 F225 A226P170-I176 HydrophobicContact CG-CD1 4.12Å; P170-I176 HydrophobicContact CG-CG1 4.18Å; V173-I176 HydrophobicContact CB-CD1 3.94Å; V173-I176 HydrophobicContact CG1-CD1 3.8Å; V173-I176 VanDerWaalsContact O-CB 3.29Å; V173-I176 WeakPolarHBondContact O-CB 3.34Å; V173-I176 WeakPolarHBondContact O-CG1 3.41Å; V173-I176 PolarHBondContact O-N 3.46Å; I176-K178 PolarHBondContact O-N 3.11Å; I176-K178 VanDerWaalsContact O-N 3.15Å; I176-T179 PolarHBondContact O-N 3.19Å; I176-T179 PolarHBondContact O-OG1 3.15Å; I176-V180 HydrophobicContact CG2-CB 4.41Å; I176-V180 HydrophobicContact CG2-CG2 4.31Å; I176-V180 PolarHBondContact O-N 3.32Å; I176-V214 HydrophobicContact CG2-CG1 4.29Å; I176-L222 HydrophobicContact CB-CD1 4.18Å; I176-L222 HydrophobicContact CG2-CD1 4.1Å; I176-F225 HydrophobicContact CG2-CE1 4.46Å; I176-A226 HydrophobicContact CD1-CB 3.73Å
177P82Confident84.5Confident27 Ų2756.8 Ų56.818%0.17530%0.3CS..Hα-helixtrans-64.7-24-178.2-22.736000113.2V173 T179 E215 L222V173-P177 WeakPolarHBondContact O-CD 3.35Å; P177-T179 VanDerWaalsContact C-N 3.29Å; P177-T179 PolarHBondContact O-N 3.5Å; P177-E215 HydrophobicContact CB-CG 4.35Å; P177-L222 HydrophobicContact CG-CD1 4.07Å; P177-L222 HydrophobicContact CG-CD2 3.76Å
178K82.6Confident84.3Confident172 Ų17256.1 Ų56.175%0.74830%0.297SS*.Hα-helixtrans-73.4-23.1176.7-59-178-178.3178.60112.7Q175 I176Q175-K178 WeakPolarHBondContact O-CB 3.37Å; Q175-K178 PolarHBondContact O-N 2.75Å; I176-K178 PolarHBondContact O-N 3.11Å; I176-K178 VanDerWaalsContact O-N 3.15Å
179T81.8Confident84.2Confident112 Ų11257.2 Ų57.269%0.68731%0.306SS*.Hα-helixtrans-109.3-28.8-172.952.80000112.8Q175 I176 P177Q175-T179 PolarHBondContact O-OG1 3.11Å; I176-T179 PolarHBondContact O-N 3.19Å; I176-T179 PolarHBondContact O-OG1 3.15Å; P177-T179 VanDerWaalsContact C-N 3.29Å; P177-T179 PolarHBondContact O-N 3.5Å
180V82.9Confident84.1Confident37 Ų3768 Ų6822%0.22435%0.347CS..  trans-118.3118.6-175.7-176.10000109.2I176 I187I176-V180 HydrophobicContact CG2-CB 4.41Å; I176-V180 HydrophobicContact CG2-CG2 4.31Å; I176-V180 PolarHBondContact O-N 3.32Å; V180-I187 HydrophobicContact CG1-CD1 3.53Å; V180-I187 HydrophobicContact CG1-CG1 4.27Å; V180-I187 HydrophobicContact CG1-CG2 4.49Å
181K85.1Confident84.4Confident160 Ų16068.2 Ų68.270%0.69634%0.341SS*.  trans-113143.5175.3-61.1-166.9171.6-168.70110.4E215K181-E215 WeakPolarHBondContact CE-OE1 3.36Å
182G87.8Confident84.9Confident31 Ų3167.7 Ų67.732%0.3234%0.34SS..SBendtrans131.9179.9178.700000112.9V214G182-V214 PolarHBondContact O-N 2.74Å; G182-V214 VanDerWaalsContact O-N 3.14Å
183T91.1Very high85.3Confident49 Ų4965.4 Ų65.430%0.30134%0.337SS..BIsolated β-bridgetrans-81.3147.5176.359.20000110.9G185 S186 I187 R212T183-G185 VanDerWaalsContact C-N 3.3Å; T183-G185 PolarHBondContact O-N 3.05Å; T183-S186 PolarHBondContact O-N 2.92Å; T183-S186 PolarHBondContact O-OG 2.95Å; T183-S186 WeakPolarHBondContact OG1-CB 3.38Å; T183-S186 PolarHBondContact OG1-OG 2.84Å; T183-I187 WeakPolarHBondContact O-CD1 3.28Å; T183-I187 WeakPolarHBondContact O-CG1 3.32Å; T183-I187 PolarHBondContact O-N 3.42Å; T183-R212 WeakPolarHBondContact CA-O 3.26Å
184V88.8Confident85.5Confident0 Ų067.4 Ų67.40%035%0.351CS..Hα-helixtrans-52.7-48.6179.6170.30000111.4S186 I187 L188 L209 R212 V214 L217 F225V184-S186 PolarHBondContact O-N 3.4Å; V184-I187 PolarHBondContact O-N 3.42Å; V184-L188 HydrophobicContact CG1-CD1 3.61Å; V184-L188 HydrophobicContact CG1-CG 4.26Å; V184-L188 VanDerWaalsContact O-CG 3.3Å; V184-L188 WeakPolarHBondContact O-CG 3.29Å; V184-L188 PolarHBondContact O-N 3.35Å; V184-L209 WeakPolarHBondContact CB-O 3.34Å; V184-R212 PolarHBondContact N-O 3.26Å; V184-V214 HydrophobicContact CG2-CG2 4.25Å; V184-L217 HydrophobicContact CG2-CD1 3.8Å; V184-L217 HydrophobicContact CG2-CD2 4.28Å; V184-L217 HydrophobicContact CG2-CG 4.44Å; V184-F225 HydrophobicContact CB-CD2 4.47Å; V184-F225 HydrophobicContact CB-CE2 4.46Å; V184-F225 HydrophobicContact CG1-CD2 3.76Å; V184-F225 HydrophobicContact CG1-CE2 4.03Å; V184-F225 HydrophobicContact CG2-CD2 4.32Å; V184-F225 HydrophobicContact CG2-CE2 4.49Å
185G89Confident86Confident7 Ų772.3 Ų72.37%0.07237%0.368CS..Hα-helixtrans-61.2-45-179.300000113.4T183 I187 L188 S189 R210T183-G185 VanDerWaalsContact C-N 3.3Å; T183-G185 PolarHBondContact O-N 3.05Å; G185-I187 VanDerWaalsContact C-N 3.26Å; G185-I187 PolarHBondContact O-N 3.44Å; G185-L188 PolarHBondContact O-N 3.15Å; G185-S189 PolarHBondContact O-N 3.02Å; G185-S189 PolarHBondContact O-OG 3.31Å; G185-R210 VanDerWaalsContact CA-CG 3.45Å; G185-R210 PolarHBondContact N-O 3.46Å
186S90.3Very high86.5Confident62 Ų6268.8 Ų68.843%0.43436%0.355SS..Hα-helixtrans-61.8-37179.3700000112.4T183 V184 R190T183-S186 PolarHBondContact O-N 2.92Å; T183-S186 PolarHBondContact O-OG 2.95Å; T183-S186 WeakPolarHBondContact OG1-CB 3.38Å; T183-S186 PolarHBondContact OG1-OG 2.84Å; V184-S186 PolarHBondContact O-N 3.4Å; S186-R190 WeakPolarHBondContact O-CB 3.49Å; S186-R190 PolarHBondContact O-N 3.46Å; S186-R190 VanDerWaalsContact O-N 3.08Å
187I90.4Very high86.8Confident15 Ų1568.6 Ų68.68%0.07735%0.354CS..Hα-helixtrans-75.2-41.4-179.1-63.2158.8000110.8V180 T183 V184 G185 R190 K191 V214 F225V180-I187 HydrophobicContact CG1-CD1 3.53Å; V180-I187 HydrophobicContact CG1-CG1 4.27Å; V180-I187 HydrophobicContact CG1-CG2 4.49Å; T183-I187 WeakPolarHBondContact O-CD1 3.28Å; T183-I187 WeakPolarHBondContact O-CG1 3.32Å; T183-I187 PolarHBondContact O-N 3.42Å; V184-I187 PolarHBondContact O-N 3.42Å; G185-I187 VanDerWaalsContact C-N 3.26Å; G185-I187 PolarHBondContact O-N 3.44Å; I187-R190 PolarHBondContact O-N 2.97Å; I187-K191 HydrophobicContact CG2-CD 4.05Å; I187-K191 WeakPolarHBondContact O-CB 3.41Å; I187-K191 WeakPolarHBondContact O-CG 3.47Å; I187-K191 PolarHBondContact O-N 2.9Å; I187-K191 VanDerWaalsContact O-N 3.11Å; I187-V214 HydrophobicContact CD1-CG2 3.49Å; I187-V214 VanDerWaalsContact CD1-CG2 3.49Å; I187-F225 HydrophobicContact CB-CE2 4.36Å; I187-F225 HydrophobicContact CB-CZ 4.11Å; I187-F225 HydrophobicContact CD1-CZ 4.11Å; I187-F225 HydrophobicContact CG2-CE2 4.27Å; I187-F225 HydrophobicContact CG2-CZ 3.75Å
188L89.5Confident87.1Confident1 Ų171.5 Ų71.51%0.00537%0.371CS..Hα-helixtrans-62.2-52.2176.6-69.3171.5000110.2V184 G185 R190 K191 D192 E197 F225 A228 V229 I232V184-L188 HydrophobicContact CG1-CD1 3.61Å; V184-L188 HydrophobicContact CG1-CG 4.26Å; V184-L188 VanDerWaalsContact O-CG 3.3Å; V184-L188 WeakPolarHBondContact O-CG 3.29Å; V184-L188 PolarHBondContact O-N 3.35Å; G185-L188 PolarHBondContact O-N 3.15Å; L188-R190 VanDerWaalsContact C-N 3.27Å; L188-R190 PolarHBondContact O-N 3.24Å; L188-K191 CarbonylContact O-C 3.57Å; L188-K191 PolarHBondContact O-N 2.7Å; L188-D192 WeakPolarHBondContact O-CB 3.29Å; L188-D192 PolarHBondContact O-N 2.78Å; L188-E197 HydrophobicContact CB-CG 4.1Å; L188-F225 HydrophobicContact CD2-CD2 4.21Å; L188-F225 HydrophobicContact CD2-CE2 4.1Å; L188-F225 HydrophobicContact CG-CD2 4.37Å; L188-F225 HydrophobicContact CG-CE2 4.08Å; L188-A228 HydrophobicContact CD2-CB 3.99Å; L188-V229 HydrophobicContact CD2-CG2 3.77Å; L188-I232 HydrophobicContact CB-CD1 4.17Å; L188-I232 HydrophobicContact CD2-CD1 3.7Å; L188-I232 VanDerWaalsContact O-CD1 3.3Å; L188-I232 WeakPolarHBondContact O-CD1 3.35Å
189S89.2Confident87.5Confident61 Ų6167.7 Ų67.743%0.42736%0.358SS..Hα-helixtrans-64.7-30.1-180-56.80000113.3G185 K191 E197G185-S189 PolarHBondContact O-N 3.02Å; G185-S189 PolarHBondContact O-OG 3.31Å; S189-K191 VanDerWaalsContact C-N 3.33Å; S189-E197 WeakPolarHBondContact CA-OE2 3.35Å; S189-E197 WeakPolarHBondContact CB-OE2 3.39Å; S189-E197 PolarHBondContact N-OE2 3.26Å; S189-E197 PolarHBondContact OG-OE1 3.45Å; S189-E197 PolarHBondContact OG-OE2 3.24Å
190R89.7Confident88Confident225 Ų22562.6 Ų62.685%0.84933%0.327SS*.Hα-helixtrans-70.3-29173.5-179.1176177.1-173.41.3113S186 I187 L188S186-R190 WeakPolarHBondContact O-CB 3.49Å; S186-R190 PolarHBondContact O-N 3.46Å; S186-R190 VanDerWaalsContact O-N 3.08Å; I187-R190 PolarHBondContact O-N 2.97Å; L188-R190 VanDerWaalsContact C-N 3.27Å; L188-R190 PolarHBondContact O-N 3.24Å
191K87.8Confident88.4Confident70 Ų7061.3 Ų61.330%0.30432%0.32SS..Hα-helixtrans-103.5-2.1-175.3-71.9-175171.5-170.70113.3I187 L188 S189 D193 V229 I232 Q233I187-K191 HydrophobicContact CG2-CD 4.05Å; I187-K191 WeakPolarHBondContact O-CB 3.41Å; I187-K191 WeakPolarHBondContact O-CG 3.47Å; I187-K191 PolarHBondContact O-N 2.9Å; I187-K191 VanDerWaalsContact O-N 3.11Å; L188-K191 CarbonylContact O-C 3.57Å; L188-K191 PolarHBondContact O-N 2.7Å; S189-K191 VanDerWaalsContact C-N 3.33Å; K191-D193 PolarHBondContact O-N 3.03Å; K191-V229 HydrophobicContact CD-CG1 3.58Å; K191-I232 HydrophobicContact CB-CD1 4.19Å; K191-Q233 HydrophobicContact CB-CG 4.36Å; K191-Q233 VanDerWaalsContact O-CG 3.28Å; K191-Q233 WeakPolarHBondContact O-CG 3.29Å
192D88.6Confident88.6Confident36 Ų3660.3 Ų60.319%0.19332%0.317CS..  trans-78.299.6179.2-172.415.1000110.7L188 S194 K195 T196 E197 I232L188-D192 WeakPolarHBondContact O-CB 3.29Å; L188-D192 PolarHBondContact O-N 2.78Å; D192-S194 PolarHBondContact OD1-N 3.46Å; D192-S194 VanDerWaalsContact OD1-N 3.09Å; D192-S194 PolarHBondContact OD1-OG 2.71Å; D192-K195 PolarHBondContact OD1-N 3.01Å; D192-K195 WeakPolarHBondContact OD2-CA 3.27Å; D192-K195 PolarHBondContact OD2-N 3.46Å; D192-T196 PolarHBondContact OD1-N 2.88Å; D192-E197 HydrophobicContact CB-CB 4.22Å; D192-E197 WeakPolarHBondContact OD2-CB 3.39Å; D192-E197 PolarHBondContact OD2-N 3.43Å; D192-I232 HydrophobicContact CB-CB 4.36Å; D192-I232 HydrophobicContact CB-CD1 4.23Å
193D85.7Confident88.7Confident89 Ų8961.8 Ų61.848%0.47632%0.316SS..SBendtrans-91.8-19.5173.2-61.5-35000111.4K165 K191 I232 R234K165-D193 IonicContact NZ-OD2 3.51Å; K191-D193 PolarHBondContact O-N 3.03Å; D193-I232 PolarHBondContact N-O 3.13Å; D193-I232 VanDerWaalsContact N-O 3.12Å; D193-R234 HydrophobicContact CB-CB 3.7Å; D193-R234 PolarHBondContact OD2-N 2.99Å
194S79.3Confident88.7Confident44 Ų4459.6 Ų59.631%0.30830%0.302SS..SBendtrans-99.2-10.9-16864.70000113.9D192 T196 I232D192-S194 PolarHBondContact OD1-N 3.46Å; D192-S194 VanDerWaalsContact OD1-N 3.09Å; D192-S194 PolarHBondContact OD1-OG 2.71Å; S194-T196 PolarHBondContact O-N 3.33Å; S194-T196 PolarHBondContact OG-N 3.39Å; S194-T196 PolarHBondContact OG-OG1 3.43Å; S194-I232 WeakPolarHBondContact CB-O 3.43Å; S194-I232 PolarHBondContact N-O 3.34Å; S194-I232 VanDerWaalsContact N-O 3.15Å; S194-I232 WeakPolarHBondContact OG-CA 3.27Å; S194-I232 PolarHBondContact OG-O 3.11Å
195K85.6Confident88.7Confident184 Ų18462.2 Ų62.280%0.832%0.316SS*.SBendtrans58.828.7-172.4-56.9-177.8-179.4179.10112.7D192D192-K195 PolarHBondContact OD1-N 3.01Å; D192-K195 WeakPolarHBondContact OD2-CA 3.27Å; D192-K195 PolarHBondContact OD2-N 3.46Å
196T87.1Confident88.7Confident44 Ų4462 Ų6227%0.2731%0.314SS..  trans-106.96.4179.4650000112.9D192 S194 T198 I199 V200D192-T196 PolarHBondContact OD1-N 2.88Å; S194-T196 PolarHBondContact O-N 3.33Å; S194-T196 PolarHBondContact OG-N 3.39Å; S194-T196 PolarHBondContact OG-OG1 3.43Å; T196-T198 VanDerWaalsContact C-N 3.27Å; T196-T198 PolarHBondContact O-N 2.88Å; T196-T198 VanDerWaalsContact O-N 3.17Å; T196-I199 PolarHBondContact O-N 3.47Å; T196-I199 VanDerWaalsContact O-N 3.17Å; T196-V200 WeakPolarHBondContact O-CG2 3.29Å; T196-V200 PolarHBondContact O-N 2.72Å
197E88.7Confident88.5Confident14 Ų1462.9 Ų62.97%0.06532%0.316CS..Hα-helixtrans-47.9-48.1-178.1179.3-172.9160.800112.3L188 S189 D192 V200 C201 R210 I232L188-E197 HydrophobicContact CB-CG 4.1Å; S189-E197 WeakPolarHBondContact CA-OE2 3.35Å; S189-E197 WeakPolarHBondContact CB-OE2 3.39Å; S189-E197 PolarHBondContact N-OE2 3.26Å; S189-E197 PolarHBondContact OG-OE1 3.45Å; S189-E197 PolarHBondContact OG-OE2 3.24Å; D192-E197 HydrophobicContact CB-CB 4.22Å; D192-E197 WeakPolarHBondContact OD2-CB 3.39Å; D192-E197 PolarHBondContact OD2-N 3.43Å; E197-V200 PolarHBondContact O-N 3.37Å; E197-C201 VanDerWaalsContact O-CB 3.24Å; E197-C201 WeakPolarHBondContact O-CB 3.44Å; E197-C201 PolarHBondContact O-N 2.95Å; E197-C201 PolarHBondContact O-SG 3.42Å; E197-R210 IonicContact OE1-CZ 3.2Å; E197-R210 IonicContact OE1-NE 3.84Å; E197-R210 PolarHBondContact OE1-NE 2.97Å; E197-R210 IonicContact OE1-NH2 2.81Å; E197-R210 PolarHBondContact OE1-NH2 2.9Å; E197-R210 IonicContact OE2-NH2 2.68Å; E197-I232 HydrophobicContact CB-CG2 4.47Å
198T89.3Confident88.3Confident89 Ų8967.4 Ų67.455%0.54634%0.337SS..Hα-helixtrans-61.8-49.1-176.749.20000112.1T196 V200 C201 E202T196-T198 VanDerWaalsContact C-N 3.27Å; T196-T198 PolarHBondContact O-N 2.88Å; T196-T198 VanDerWaalsContact O-N 3.17Å; T198-V200 PolarHBondContact O-N 3.39Å; T198-C201 PolarHBondContact O-N 3.37Å; T198-E202 WeakPolarHBondContact O-CG 3.22Å; T198-E202 PolarHBondContact O-N 3.19Å
199I90.9Very high88.1Confident91 Ų9167.5 Ų67.547%0.46734%0.337SS..Hα-helixtrans-62.4-47-179.8-59.6170.6000110.1T196 C201 E202 Q203T196-I199 PolarHBondContact O-N 3.47Å; T196-I199 VanDerWaalsContact O-N 3.17Å; I199-C201 VanDerWaalsContact C-N 3.35Å; I199-C201 PolarHBondContact O-N 3.45Å; I199-E202 PolarHBondContact O-N 3.37Å; I199-Q203 HydrophobicContact CG2-CG 4.46Å; I199-Q203 WeakPolarHBondContact O-CB 3.33Å; I199-Q203 VanDerWaalsContact O-CG 3.3Å; I199-Q203 WeakPolarHBondContact O-CG 3.44Å; I199-Q203 PolarHBondContact O-N 3.37Å
200V91.4Very high88Confident6 Ų670 Ų704%0.03634%0.338CS..Hα-helixtrans-66.1-38.8-179.3174.50000111T196 E197 T198 Q203 L204 A228 C231 I232 T258T196-V200 WeakPolarHBondContact O-CG2 3.29Å; T196-V200 PolarHBondContact O-N 2.72Å; E197-V200 PolarHBondContact O-N 3.37Å; T198-V200 PolarHBondContact O-N 3.39Å; V200-Q203 PolarHBondContact O-N 3.28Å; V200-L204 HydrophobicContact CG1-CD1 3.8Å; V200-L204 WeakPolarHBondContact O-CB 3.46Å; V200-L204 PolarHBondContact O-N 3.47Å; V200-A228 HydrophobicContact CG1-CB 3.79Å; V200-C231 HydrophobicContact CG1-CB 4.14Å; V200-C231 HydrophobicContact CG2-CB 4.21Å; V200-I232 HydrophobicContact CB-CG2 4.12Å; V200-I232 HydrophobicContact CG1-CG2 4.25Å; V200-I232 HydrophobicContact CG2-CG2 4.17Å; V200-T258 HydrophobicContact CG1-CG2 4.23Å
201C90.6Very high87.8Confident10 Ų1068 Ų687%0.06834%0.338CS..Hα-helixtrans-65.8-38.9176.3-730000112.6E197 T198 I199 D205 L206 T207E197-C201 VanDerWaalsContact O-CB 3.24Å; E197-C201 WeakPolarHBondContact O-CB 3.44Å; E197-C201 PolarHBondContact O-N 2.95Å; E197-C201 PolarHBondContact O-SG 3.42Å; T198-C201 PolarHBondContact O-N 3.37Å; I199-C201 VanDerWaalsContact C-N 3.35Å; I199-C201 PolarHBondContact O-N 3.45Å; C201-D205 WeakPolarHBondContact O-CA 3.36Å; C201-D205 PolarHBondContact O-N 2.92Å; C201-L206 HydrophobicContact CB-CB 4.36Å; C201-L206 PolarHBondContact O-N 2.85Å; C201-T207 HydrophobicContact CB-CG2 4.31Å
202E90.9Very high87.8Confident138 Ų13870.2 Ų70.265%0.64534%0.344SS*.Hα-helixtrans-67.2-46.4174.9-75.1176.8-175.700111.3T198 I199 L204 D205 T207T198-E202 WeakPolarHBondContact O-CG 3.22Å; T198-E202 PolarHBondContact O-N 3.19Å; I199-E202 PolarHBondContact O-N 3.37Å; E202-L204 VanDerWaalsContact C-N 3.34Å; E202-L204 PolarHBondContact O-N 2.79Å; E202-D205 PolarHBondContact O-N 2.85Å; E202-D205 VanDerWaalsContact O-N 3.16Å; E202-T207 HydrophobicContact CG-CG2 4.05Å
203Q89.9Confident87.8Confident63 Ų6372 Ų7229%0.29435%0.354SS..Hα-helixtrans-62.1-40.4179.9-74.3179.5-5.300112.7I199 V200 D205 R254 T258I199-Q203 HydrophobicContact CG2-CG 4.46Å; I199-Q203 WeakPolarHBondContact O-CB 3.33Å; I199-Q203 VanDerWaalsContact O-CG 3.3Å; I199-Q203 WeakPolarHBondContact O-CG 3.44Å; I199-Q203 PolarHBondContact O-N 3.37Å; V200-Q203 PolarHBondContact O-N 3.28Å; Q203-D205 VanDerWaalsContact C-N 3.33Å; Q203-R254 WeakPolarHBondContact O-CB 3.38Å; Q203-R254 WeakPolarHBondContact O-CD 3.4Å; Q203-T258 PolarHBondContact OE1-OG1 3.12Å
204L91Very high87.9Confident3 Ų367.8 Ų67.82%0.01633%0.331CS..THydrogen-bonded Turntrans-89.52.3178.8-65.4172.6000113.3V200 E202 L206 R224 I227 A228 A255 T258V200-L204 HydrophobicContact CG1-CD1 3.8Å; V200-L204 WeakPolarHBondContact O-CB 3.46Å; V200-L204 PolarHBondContact O-N 3.47Å; E202-L204 VanDerWaalsContact C-N 3.34Å; E202-L204 PolarHBondContact O-N 2.79Å; L204-L206 HydrophobicContact CB-CD1 3.99Å; L204-L206 HydrophobicContact CB-CG 3.95Å; L204-L206 HydrophobicContact CD1-CD1 4.41Å; L204-L206 PolarHBondContact O-N 3.41Å; L204-R224 HydrophobicContact CB-CB 4.46Å; L204-R224 VanDerWaalsContact O-CD 3.29Å; L204-R224 WeakPolarHBondContact O-CD 3.16Å; L204-R224 PolarHBondContact O-NH1 3.18Å; L204-I227 HydrophobicContact CD1-CB 4.27Å; L204-I227 HydrophobicContact CD1-CG2 4.05Å; L204-I227 HydrophobicContact CD2-CG2 4.5Å; L204-A228 HydrophobicContact CD1-CB 3.69Å; L204-A255 HydrophobicContact CD2-CB 4.18Å; L204-T258 HydrophobicContact CD1-CG2 4.24Å; L204-T258 HydrophobicContact CG-CG2 4.25Å
205D87.8Confident88.2Confident55 Ų5570.9 Ų70.929%0.29434%0.341SS..THydrogen-bonded Turntrans52.454.1-179.2175.249.1000112.2C201 E202 Q203 H208 R224C201-D205 WeakPolarHBondContact O-CA 3.36Å; C201-D205 PolarHBondContact O-N 2.92Å; E202-D205 PolarHBondContact O-N 2.85Å; E202-D205 VanDerWaalsContact O-N 3.16Å; Q203-D205 VanDerWaalsContact C-N 3.33Å; D205-H208 PolarHBondContact O-CE1 3Å; D205-H208 IonicContact OD1-CE1 3.47Å; D205-H208 IonicContact OD1-ND1 3.76Å; D205-H208 PolarHBondContact OD1-ND1 3.3Å; D205-H208 IonicContact OD2-CE1 2.76Å; D205-R224 PolarHBondContact O-NH1 3.49Å; D205-R224 IonicContact OD2-NH1 3.4Å; D205-R224 PolarHBondContact OD2-NH1 2.86Å; D205-R224 VanDerWaalsContact OD2-NH1 3.12Å
206L88.6Confident88.1Confident3 Ų366.7 Ų66.72%0.01633%0.327CS..  trans-106.2-3.7178.7-65.3176.8000112.9C201 L204 H208 L209 R210 R224 A228C201-L206 HydrophobicContact CB-CB 4.36Å; C201-L206 PolarHBondContact O-N 2.85Å; L204-L206 HydrophobicContact CB-CD1 3.99Å; L204-L206 HydrophobicContact CB-CG 3.95Å; L204-L206 HydrophobicContact CD1-CD1 4.41Å; L204-L206 PolarHBondContact O-N 3.41Å; L206-H208 VanDerWaalsContact C-N 3.31Å; L206-H208 PolarHBondContact O-N 3.38Å; L206-L209 HydrophobicContact CD2-CD1 3.84Å; L206-L209 PolarHBondContact O-N 2.94Å; L206-R210 PolarHBondContact O-N 3.44Å; L206-R224 HydrophobicContact CD2-CB 3.75Å; L206-R224 HydrophobicContact CG-CB 4.39Å; L206-A228 HydrophobicContact CD1-CB 3.47Å; L206-A228 VanDerWaalsContact CD1-CB 3.47Å
207T87.4Confident87.9Confident79 Ų7965.5 Ų65.549%0.48532%0.319SS..G310 helixtrans-57.1-42.4-175.250.10000112.5C201 E202 L209C201-T207 HydrophobicContact CB-CG2 4.31Å; E202-T207 HydrophobicContact CG-CG2 4.05Å; T207-L209 VanDerWaalsContact C-N 3.26Å; T207-L209 PolarHBondContact O-N 2.92Å
208H85.9Confident87.6Confident111 Ų11167.8 Ų67.851%0.51434%0.336SS..G310 helixtrans-74.8-12177.965.8-85.8000114D205 L206D205-H208 PolarHBondContact O-CE1 3Å; D205-H208 IonicContact OD1-CE1 3.47Å; D205-H208 IonicContact OD1-ND1 3.76Å; D205-H208 PolarHBondContact OD1-ND1 3.3Å; D205-H208 IonicContact OD2-CE1 2.76Å; L206-H208 VanDerWaalsContact C-N 3.31Å; L206-H208 PolarHBondContact O-N 3.38Å
209L85.2Confident87.2Confident3 Ų364.8 Ų64.82%0.01632%0.323CS..G310 helixtrans-99.40.4-178-59.2173.4000112.8V184 L206 T207 E211 R212 L217 E221V184-L209 WeakPolarHBondContact CB-O 3.34Å; L206-L209 HydrophobicContact CD2-CD1 3.84Å; L206-L209 PolarHBondContact O-N 2.94Å; T207-L209 VanDerWaalsContact C-N 3.26Å; T207-L209 PolarHBondContact O-N 2.92Å; L209-E211 VanDerWaalsContact C-N 3.25Å; L209-E211 PolarHBondContact O-N 2.78Å; L209-R212 WeakPolarHBondContact O-CB 3.38Å; L209-R212 PolarHBondContact O-N 3.32Å; L209-R212 VanDerWaalsContact O-N 3.08Å; L209-L217 HydrophobicContact CD2-CD2 4.45Å; L209-E221 HydrophobicContact CD1-CB 3.92Å; L209-E221 HydrophobicContact CD1-CG 3.62Å; L209-E221 HydrophobicContact CD2-CG 4.46Å; L209-E221 WeakPolarHBondContact CD2-OE1 3.47Å
210R86.2Confident87Confident114 Ų11460.8 Ų60.843%0.4330%0.304SS..THydrogen-bonded Turntrans-60-35.2-171.5-161.3172.8-168.3-1742.2113.3G185 E197 L206G185-R210 VanDerWaalsContact CA-CG 3.45Å; G185-R210 PolarHBondContact N-O 3.46Å; E197-R210 IonicContact OE1-CZ 3.2Å; E197-R210 IonicContact OE1-NE 3.84Å; E197-R210 PolarHBondContact OE1-NE 2.97Å; E197-R210 IonicContact OE1-NH2 2.81Å; E197-R210 PolarHBondContact OE1-NH2 2.9Å; E197-R210 IonicContact OE2-NH2 2.68Å; L206-R210 PolarHBondContact O-N 3.44Å
211E87.1Confident86.9Confident182 Ų18261.7 Ų61.785%0.8531%0.308SS*.THydrogen-bonded Turntrans-88-13.2-179.5-61.3-174.8168.700113.4L209L209-E211 VanDerWaalsContact C-N 3.25Å; L209-E211 PolarHBondContact O-N 2.78Å
212R85.9Confident86.8Confident117 Ų11761.4 Ų61.444%0.44231%0.306SS..SBendtrans-72.4152.4178.8-100-172.2176.9172.62111.8T183 V184 L209 L217 E221T183-R212 WeakPolarHBondContact CA-O 3.26Å; V184-R212 PolarHBondContact N-O 3.26Å; L209-R212 WeakPolarHBondContact O-CB 3.38Å; L209-R212 PolarHBondContact O-N 3.32Å; L209-R212 VanDerWaalsContact O-N 3.08Å; R212-L217 HydrophobicContact CB-CD2 4.19Å; R212-E221 IonicContact NH1-OE1 3.5Å; R212-E221 PolarHBondContact NH1-OE1 2.82Å; R212-E221 IonicContact NH1-OE2 2.71Å; R212-E221 PolarHBondContact NH1-OE2 2.91Å
213N88.4Confident86.8Confident73 Ų7354.9 Ų54.939%0.3928%0.276SS..BIsolated β-bridgetrans-78.2148.8169.5-55.4-56.3000110.7E215 D216N213-E215 PolarHBondContact O-N 2.94Å; N213-D216 WeakPolarHBondContact CB-OD2 3.45Å; N213-D216 PolarHBondContact ND2-OD2 3.08Å; N213-D216 VanDerWaalsContact ND2-OD2 3.13Å; N213-D216 PolarHBondContact O-N 3.3Å
214V87.8Confident87Confident0 Ų052.4 Ų52.40%026%0.264CS..G310 helixtrans-61.8-29.6177.1177.40000112.4I176 G182 V184 I187 D216 L217 L222 F225I176-V214 HydrophobicContact CG2-CG1 4.29Å; G182-V214 PolarHBondContact O-N 2.74Å; G182-V214 VanDerWaalsContact O-N 3.14Å; V184-V214 HydrophobicContact CG2-CG2 4.25Å; I187-V214 HydrophobicContact CD1-CG2 3.49Å; I187-V214 VanDerWaalsContact CD1-CG2 3.49Å; V214-D216 VanDerWaalsContact C-N 3.29Å; V214-D216 PolarHBondContact O-N 3.34Å; V214-L217 PolarHBondContact O-N 2.86Å; V214-L222 HydrophobicContact CG1-CD1 3.76Å; V214-F225 HydrophobicContact CG1-CD1 4.5Å; V214-F225 HydrophobicContact CG1-CE1 4.15Å; V214-F225 HydrophobicContact CG2-CE1 3.92Å; V214-F225 HydrophobicContact CG2-CZ 3.89Å
215E86.6Confident87Confident109 Ų10952.5 Ų52.551%0.50926%0.264SS..G310 helixtrans-69.7-25.3179.2-59.3-178-171.500113.2P177 K181 N213P177-E215 HydrophobicContact CB-CG 4.35Å; K181-E215 WeakPolarHBondContact CE-OE1 3.36Å; N213-E215 PolarHBondContact O-N 2.94Å
216D84.3Confident87.3Confident96 Ų9650.2 Ų50.251%0.51325%0.253SS..G310 helixtrans-91.5-4.7-177.2-59.1-40.9000112.6N213 V214N213-D216 WeakPolarHBondContact CB-OD2 3.45Å; N213-D216 PolarHBondContact ND2-OD2 3.08Å; N213-D216 VanDerWaalsContact ND2-OD2 3.13Å; N213-D216 PolarHBondContact O-N 3.3Å; V214-D216 VanDerWaalsContact C-N 3.29Å; V214-D216 PolarHBondContact O-N 3.34Å
217L82.3Confident87.6Confident19 Ų1950.1 Ų50.110%0.09925%0.252CS..  trans-73.2140.1-177.9-61.7-178000111.6V184 L209 R212 V214 E221 L222 F225V184-L217 HydrophobicContact CG2-CD1 3.8Å; V184-L217 HydrophobicContact CG2-CD2 4.28Å; V184-L217 HydrophobicContact CG2-CG 4.44Å; L209-L217 HydrophobicContact CD2-CD2 4.45Å; R212-L217 HydrophobicContact CB-CD2 4.19Å; V214-L217 PolarHBondContact O-N 2.86Å; L217-E221 WeakPolarHBondContact CA-OE2 3.48Å; L217-E221 HydrophobicContact CB-CB 4Å; L217-E221 HydrophobicContact CD2-CB 4.13Å; L217-E221 HydrophobicContact CG-CB 4.46Å; L217-L222 HydrophobicContact CB-CB 4.28Å; L217-L222 HydrophobicContact CD1-CD1 4.32Å; L217-F225 HydrophobicContact CD1-CB 4.24Å; L217-F225 HydrophobicContact CD1-CG 4.45Å
218S82.1Confident87.9Confident62 Ų6246.3 Ų46.343%0.43423%0.229SC..  trans-67.7161.9166.569.90000111.3G220 E221 L222S218-G220 VanDerWaalsContact C-N 3.27Å; S218-G220 PolarHBondContact O-N 3.31Å; S218-E221 PolarHBondContact N-OE2 3.29Å; S218-E221 PolarHBondContact O-N 3.35Å; S218-E221 VanDerWaalsContact O-N 3.12Å; S218-E221 VanDerWaalsContact OG-CD 3.26Å; S218-E221 WeakPolarHBondContact OG-CG 3.2Å; S218-E221 PolarHBondContact OG-N 3.21Å; S218-E221 PolarHBondContact OG-OE2 3.46Å; S218-E221 VanDerWaalsContact OG-OE2 3.09Å; S218-L222 VanDerWaalsContact O-CB 3.28Å; S218-L222 WeakPolarHBondContact O-CB 3.5Å; S218-L222 PolarHBondContact O-N 2.96Å
219G81.7Confident88.2Confident26 Ų2641.7 Ų41.727%0.26821%0.208SC..Hα-helixtrans-56-38.7-179.500000113.8Q223G219-Q223 VanDerWaalsContact O-CB 3.32Å; G219-Q223 WeakPolarHBondContact O-CB 3.48Å; G219-Q223 PolarHBondContact O-N 3.42Å
220G85.8Confident88.6Confident7 Ų741.9 Ų41.97%0.07221%0.209CC..Hα-helixtrans-71.1-4017600000113.2S218 Q223 R224 L247S218-G220 VanDerWaalsContact C-N 3.27Å; S218-G220 PolarHBondContact O-N 3.31Å; G220-Q223 PolarHBondContact O-N 2.82Å; G220-R224 WeakPolarHBondContact O-CG 3.38Å; G220-R224 PolarHBondContact O-N 2.94Å; G220-L247 WeakPolarHBondContact O-CD2 3.19Å
221E88.7Confident88.9Confident26 Ų2636.6 Ų36.612%0.12119%0.19CC..Hα-helixtrans-63.4-42.9173.5-68.3169.1158.900111.5L209 R212 L217 S218 Q223 R224 F225L209-E221 HydrophobicContact CD1-CB 3.92Å; L209-E221 HydrophobicContact CD1-CG 3.62Å; L209-E221 HydrophobicContact CD2-CG 4.46Å; L209-E221 WeakPolarHBondContact CD2-OE1 3.47Å; R212-E221 IonicContact NH1-OE1 3.5Å; R212-E221 PolarHBondContact NH1-OE1 2.82Å; R212-E221 IonicContact NH1-OE2 2.71Å; R212-E221 PolarHBondContact NH1-OE2 2.91Å; L217-E221 WeakPolarHBondContact CA-OE2 3.48Å; L217-E221 HydrophobicContact CB-CB 4Å; L217-E221 HydrophobicContact CD2-CB 4.13Å; L217-E221 HydrophobicContact CG-CB 4.46Å; S218-E221 PolarHBondContact N-OE2 3.29Å; S218-E221 PolarHBondContact O-N 3.35Å; S218-E221 VanDerWaalsContact O-N 3.12Å; S218-E221 VanDerWaalsContact OG-CD 3.26Å; S218-E221 WeakPolarHBondContact OG-CG 3.2Å; S218-E221 PolarHBondContact OG-N 3.21Å; S218-E221 PolarHBondContact OG-OE2 3.46Å; S218-E221 VanDerWaalsContact OG-OE2 3.09Å; E221-Q223 VanDerWaalsContact C-N 3.33Å; E221-Q223 PolarHBondContact O-N 2.85Å; E221-R224 PolarHBondContact O-N 2.67Å; E221-F225 WeakPolarHBondContact O-CB 3.45Å; E221-F225 PolarHBondContact O-N 3.1Å
222L89.7Confident89.1Confident4 Ų428 Ų282%0.02115%0.15CC..Hα-helixtrans-64.6-38.3177.9-172.465.7000112.1V173 I176 P177 V214 L217 S218 F225 A226V173-L222 HydrophobicContact CB-CD2 3.99Å; V173-L222 HydrophobicContact CB-CG 4.13Å; V173-L222 HydrophobicContact CG2-CD2 4.33Å; V173-L222 WeakPolarHBondContact O-CD2 3.39Å; I176-L222 HydrophobicContact CB-CD1 4.18Å; I176-L222 HydrophobicContact CG2-CD1 4.1Å; P177-L222 HydrophobicContact CG-CD1 4.07Å; P177-L222 HydrophobicContact CG-CD2 3.76Å; V214-L222 HydrophobicContact CG1-CD1 3.76Å; L217-L222 HydrophobicContact CB-CB 4.28Å; L217-L222 HydrophobicContact CD1-CD1 4.32Å; S218-L222 VanDerWaalsContact O-CB 3.28Å; S218-L222 WeakPolarHBondContact O-CB 3.5Å; S218-L222 PolarHBondContact O-N 2.96Å; L222-F225 HydrophobicContact CD1-CD1 4.35Å; L222-F225 PolarHBondContact O-N 3.32Å; L222-A226 WeakPolarHBondContact O-CB 3.45Å; L222-A226 PolarHBondContact O-N 3.44Å
223Q91.4Very high89.4Confident1 Ų124.2 Ų24.21%0.00514%0.137CC..Hα-helixtrans-64-47.5173.8-176.479.37.400111.3K169 G219 G220 E221 F225 A226 I227 E242 P243 S245 L247K169-Q223 VanDerWaalsContact NZ-OE1 3.13Å; G219-Q223 VanDerWaalsContact O-CB 3.32Å; G219-Q223 WeakPolarHBondContact O-CB 3.48Å; G219-Q223 PolarHBondContact O-N 3.42Å; G220-Q223 PolarHBondContact O-N 2.82Å; E221-Q223 VanDerWaalsContact C-N 3.33Å; E221-Q223 PolarHBondContact O-N 2.85Å; Q223-F225 VanDerWaalsContact C-N 3.33Å; Q223-F225 PolarHBondContact O-N 2.86Å; Q223-A226 PolarHBondContact O-N 3.43Å; Q223-I227 HydrophobicContact CG-CD1 4.31Å; Q223-I227 WeakPolarHBondContact O-CG1 3.49Å; Q223-I227 PolarHBondContact O-N 3.11Å; Q223-E242 PolarHBondContact NE2-O 2.9Å; Q223-P243 PolarHBondContact NE2-O 3.38Å; Q223-S245 WeakPolarHBondContact CG-O 3.27Å; Q223-L247 HydrophobicContact CB-CD2 4Å; Q223-L247 HydrophobicContact CB-CG 4.49Å; Q223-L247 HydrophobicContact CG-CD1 4.17Å; Q223-L247 HydrophobicContact CG-CD2 4.01Å; Q223-L247 HydrophobicContact CG-CG 3.99Å
224R92.5Very high89.5Confident11 Ų1129.9 Ų29.94%0.04215%0.153CC..Hα-helixtrans-60.8-43.3175.9-68.3-175.8-60.6162-9111.3L204 D205 L206 G220 E221 A226 I227 A228 L247L204-R224 HydrophobicContact CB-CB 4.46Å; L204-R224 VanDerWaalsContact O-CD 3.29Å; L204-R224 WeakPolarHBondContact O-CD 3.16Å; L204-R224 PolarHBondContact O-NH1 3.18Å; D205-R224 PolarHBondContact O-NH1 3.49Å; D205-R224 IonicContact OD2-NH1 3.4Å; D205-R224 PolarHBondContact OD2-NH1 2.86Å; D205-R224 VanDerWaalsContact OD2-NH1 3.12Å; L206-R224 HydrophobicContact CD2-CB 3.75Å; L206-R224 HydrophobicContact CG-CB 4.39Å; G220-R224 WeakPolarHBondContact O-CG 3.38Å; G220-R224 PolarHBondContact O-N 2.94Å; E221-R224 PolarHBondContact O-N 2.67Å; R224-A226 PolarHBondContact O-N 3.44Å; R224-I227 PolarHBondContact O-N 2.92Å; R224-A228 WeakPolarHBondContact O-CB 3.43Å; R224-A228 PolarHBondContact O-N 3.22Å; R224-L247 HydrophobicContact CG-CD2 3.74Å
225F92.7Very high89.6Confident5 Ų530.2 Ų30.22%0.02216%0.156CC..Hα-helixtrans-59-45173.4169.9-108.3000112.4I176 V184 I187 L188 V214 L217 E221 L222 Q223 I227 A228 V229I176-F225 HydrophobicContact CG2-CE1 4.46Å; V184-F225 HydrophobicContact CB-CD2 4.47Å; V184-F225 HydrophobicContact CB-CE2 4.46Å; V184-F225 HydrophobicContact CG1-CD2 3.76Å; V184-F225 HydrophobicContact CG1-CE2 4.03Å; V184-F225 HydrophobicContact CG2-CD2 4.32Å; V184-F225 HydrophobicContact CG2-CE2 4.49Å; I187-F225 HydrophobicContact CB-CE2 4.36Å; I187-F225 HydrophobicContact CB-CZ 4.11Å; I187-F225 HydrophobicContact CD1-CZ 4.11Å; I187-F225 HydrophobicContact CG2-CE2 4.27Å; I187-F225 HydrophobicContact CG2-CZ 3.75Å; L188-F225 HydrophobicContact CD2-CD2 4.21Å; L188-F225 HydrophobicContact CD2-CE2 4.1Å; L188-F225 HydrophobicContact CG-CD2 4.37Å; L188-F225 HydrophobicContact CG-CE2 4.08Å; V214-F225 HydrophobicContact CG1-CD1 4.5Å; V214-F225 HydrophobicContact CG1-CE1 4.15Å; V214-F225 HydrophobicContact CG2-CE1 3.92Å; V214-F225 HydrophobicContact CG2-CZ 3.89Å; L217-F225 HydrophobicContact CD1-CB 4.24Å; L217-F225 HydrophobicContact CD1-CG 4.45Å; E221-F225 WeakPolarHBondContact O-CB 3.45Å; E221-F225 PolarHBondContact O-N 3.1Å; L222-F225 HydrophobicContact CD1-CD1 4.35Å; L222-F225 PolarHBondContact O-N 3.32Å; Q223-F225 VanDerWaalsContact C-N 3.33Å; Q223-F225 PolarHBondContact O-N 2.86Å; F225-I227 VanDerWaalsContact C-N 3.33Å; F225-I227 PolarHBondContact O-N 2.91Å; F225-A228 WeakPolarHBondContact O-CB 3.33Å; F225-A228 PolarHBondContact O-N 3.2Å; F225-V229 HydrophobicContact CD2-CG2 4.04Å; F225-V229 HydrophobicContact CE1-CG2 4.13Å; F225-V229 HydrophobicContact CE2-CG2 3.62Å; F225-V229 HydrophobicContact CG-CG2 4.49Å; F225-V229 HydrophobicContact CZ-CG2 3.68Å; F225-V229 VanDerWaalsContact O-CG2 3.32Å; F225-V229 WeakPolarHBondContact O-CG2 3.28Å; F225-V229 PolarHBondContact O-N 3.23Å
226A92.9Very high89.9Confident7 Ų727.9 Ų27.96%0.05815%0.147CC..Hα-helixtrans-62.2-40.1178.600000112.3K169 V173 I176 L222 Q223 R224 V230K169-A226 HydrophobicContact CG-CB 4.26Å; V173-A226 HydrophobicContact CG1-CB 4.3Å; I176-A226 HydrophobicContact CD1-CB 3.73Å; L222-A226 WeakPolarHBondContact O-CB 3.45Å; L222-A226 PolarHBondContact O-N 3.44Å; Q223-A226 PolarHBondContact O-N 3.43Å; R224-A226 PolarHBondContact O-N 3.44Å; A226-V230 WeakPolarHBondContact O-CG2 3.43Å; A226-V230 PolarHBondContact O-N 3.29Å
227I94.2Very high90.4Very high0 Ų023.3 Ų23.30%012%0.122CC..Hα-helixtrans-65.5-46.7174.9-63.7166.7000109.9L204 Q223 R224 F225 V229 V230 C231 F240 P243 L247 A255 I259L204-I227 HydrophobicContact CD1-CB 4.27Å; L204-I227 HydrophobicContact CD1-CG2 4.05Å; L204-I227 HydrophobicContact CD2-CG2 4.5Å; Q223-I227 HydrophobicContact CG-CD1 4.31Å; Q223-I227 WeakPolarHBondContact O-CG1 3.49Å; Q223-I227 PolarHBondContact O-N 3.11Å; R224-I227 PolarHBondContact O-N 2.92Å; F225-I227 VanDerWaalsContact C-N 3.33Å; F225-I227 PolarHBondContact O-N 2.91Å; I227-V229 VanDerWaalsContact C-N 3.35Å; I227-V229 PolarHBondContact O-N 3.02Å; I227-V230 PolarHBondContact O-N 3.14Å; I227-V230 VanDerWaalsContact O-N 3.11Å; I227-C231 PolarHBondContact O-N 3.1Å; I227-C231 PolarHBondContact O-SG 3.33Å; I227-F240 HydrophobicContact CG2-CE1 4.22Å; I227-P243 HydrophobicContact CD1-CB 3.99Å; I227-P243 HydrophobicContact CG1-CB 4.44Å; I227-L247 HydrophobicContact CD1-CD1 4.47Å; I227-A255 HydrophobicContact CD1-CB 3.82Å; I227-I259 HydrophobicContact CG2-CG1 4.21Å
228A93.7Very high91Very high0 Ų022.5 Ų22.50%012%0.118CC..Hα-helixtrans-56.5-47.9178.800000112.2L188 V200 L204 L206 R224 F225 V230 C231 I232L188-A228 HydrophobicContact CD2-CB 3.99Å; V200-A228 HydrophobicContact CG1-CB 3.79Å; L204-A228 HydrophobicContact CD1-CB 3.69Å; L206-A228 HydrophobicContact CD1-CB 3.47Å; L206-A228 VanDerWaalsContact CD1-CB 3.47Å; R224-A228 WeakPolarHBondContact O-CB 3.43Å; R224-A228 PolarHBondContact O-N 3.22Å; F225-A228 WeakPolarHBondContact O-CB 3.33Å; F225-A228 PolarHBondContact O-N 3.2Å; A228-V230 PolarHBondContact O-N 3.42Å; A228-C231 PolarHBondContact O-N 2.93Å; A228-C231 VanDerWaalsContact O-N 3.13Å; A228-I232 WeakPolarHBondContact O-CG1 3.45Å; A228-I232 WeakPolarHBondContact O-CG2 3.35Å; A228-I232 PolarHBondContact O-N 3.09Å
229V92.6Very high91.7Very high13 Ų1319.5 Ų19.58%0.07910%0.097CC..Hα-helixtrans-58-35.8178.4168.60000112.2L188 K191 F225 I227 I232 Q233L188-V229 HydrophobicContact CD2-CG2 3.77Å; K191-V229 HydrophobicContact CD-CG1 3.58Å; F225-V229 HydrophobicContact CD2-CG2 4.04Å; F225-V229 HydrophobicContact CE1-CG2 4.13Å; F225-V229 HydrophobicContact CE2-CG2 3.62Å; F225-V229 HydrophobicContact CG-CG2 4.49Å; F225-V229 HydrophobicContact CZ-CG2 3.68Å; F225-V229 VanDerWaalsContact O-CG2 3.32Å; F225-V229 WeakPolarHBondContact O-CG2 3.28Å; F225-V229 PolarHBondContact O-N 3.23Å; I227-V229 VanDerWaalsContact C-N 3.35Å; I227-V229 PolarHBondContact O-N 3.02Å; V229-I232 WeakPolarHBondContact O-CG1 3.31Å; V229-Q233 VanDerWaalsContact O-CG 3.28Å; V229-Q233 WeakPolarHBondContact O-CG 3.2Å
230V93.1Very high92.3Very high7 Ų718.3 Ų18.34%0.0428%0.084CC..Hα-helixtrans-74.8-41.9177.1170.90000111I167 K169 A226 I227 A228 I232 Q233 F238 F240I167-V230 HydrophobicContact CG2-CB 4.16Å; I167-V230 HydrophobicContact CG2-CG1 3.77Å; I167-V230 HydrophobicContact CG2-CG2 3.8Å; K169-V230 HydrophobicContact CB-CG2 4.03Å; A226-V230 WeakPolarHBondContact O-CG2 3.43Å; A226-V230 PolarHBondContact O-N 3.29Å; I227-V230 PolarHBondContact O-N 3.14Å; I227-V230 VanDerWaalsContact O-N 3.11Å; A228-V230 PolarHBondContact O-N 3.42Å; V230-I232 PolarHBondContact O-N 3.44Å; V230-Q233 PolarHBondContact O-N 3.01Å; V230-F238 HydrophobicContact CG1-CD1 3.9Å; V230-F238 WeakPolarHBondContact O-CE1 3.43Å; V230-F240 HydrophobicContact CB-CE1 4.06Å; V230-F240 HydrophobicContact CB-CZ 4.47Å; V230-F240 HydrophobicContact CG1-CE1 3.65Å; V230-F240 HydrophobicContact CG1-CZ 3.67Å
231C92.6Very high92.6Very high3 Ų318.5 Ų18.52%0.028%0.084CC..Hα-helixtrans-67.6-32.4-177.6-64.70000113.9V200 I227 A228 Q233 L262V200-C231 HydrophobicContact CG1-CB 4.14Å; V200-C231 HydrophobicContact CG2-CB 4.21Å; I227-C231 PolarHBondContact O-N 3.1Å; I227-C231 PolarHBondContact O-SG 3.33Å; A228-C231 PolarHBondContact O-N 2.93Å; A228-C231 VanDerWaalsContact O-N 3.13Å; C231-Q233 VanDerWaalsContact C-N 3.33Å; C231-L262 HydrophobicContact CB-CD1 4.35Å; C231-L262 HydrophobicContact CB-CD2 4.17Å
232I92.7Very high92.6Very high1 Ų118.5 Ų18.51%0.0058%0.084CC..THydrogen-bonded Turntrans-79.9-14.1-178.264.7179.3000113.7L188 K191 D192 D193 S194 E197 V200 A228 V229 V230L188-I232 HydrophobicContact CB-CD1 4.17Å; L188-I232 HydrophobicContact CD2-CD1 3.7Å; L188-I232 VanDerWaalsContact O-CD1 3.3Å; L188-I232 WeakPolarHBondContact O-CD1 3.35Å; K191-I232 HydrophobicContact CB-CD1 4.19Å; D192-I232 HydrophobicContact CB-CB 4.36Å; D192-I232 HydrophobicContact CB-CD1 4.23Å; D193-I232 PolarHBondContact N-O 3.13Å; D193-I232 VanDerWaalsContact N-O 3.12Å; S194-I232 WeakPolarHBondContact CB-O 3.43Å; S194-I232 PolarHBondContact N-O 3.34Å; S194-I232 VanDerWaalsContact N-O 3.15Å; S194-I232 WeakPolarHBondContact OG-CA 3.27Å; S194-I232 PolarHBondContact OG-O 3.11Å; E197-I232 HydrophobicContact CB-CG2 4.47Å; V200-I232 HydrophobicContact CB-CG2 4.12Å; V200-I232 HydrophobicContact CG1-CG2 4.25Å; V200-I232 HydrophobicContact CG2-CG2 4.17Å; A228-I232 WeakPolarHBondContact O-CG1 3.45Å; A228-I232 WeakPolarHBondContact O-CG2 3.35Å; A228-I232 PolarHBondContact O-N 3.09Å; V229-I232 WeakPolarHBondContact O-CG1 3.31Å; V230-I232 PolarHBondContact O-N 3.44Å
233Q91.6Very high92.7Very high38 Ų3818.5 Ų18.518%0.1788%0.084CC..SBendtrans-85145.8-178-75.6-176-12.100111.7I167 K191 V229 V230 C231I167-Q233 HydrophobicContact CD1-CB 3.32Å; I167-Q233 HydrophobicContact CD1-CG 4.26Å; I167-Q233 VanDerWaalsContact CD1-OE1 3.27Å; K191-Q233 HydrophobicContact CB-CG 4.36Å; K191-Q233 VanDerWaalsContact O-CG 3.28Å; K191-Q233 WeakPolarHBondContact O-CG 3.29Å; V229-Q233 VanDerWaalsContact O-CG 3.28Å; V229-Q233 WeakPolarHBondContact O-CG 3.2Å; V230-Q233 PolarHBondContact O-N 3.01Å; C231-Q233 VanDerWaalsContact C-N 3.33Å
234R90.3Very high92.6Very high193 Ų19318.6 Ų18.673%0.7289%0.085SC*.  trans-85118.5174.6-171.8175.7176.5176.6-1.5109.5K165 D193K165-R234 WeakPolarHBondContact CD-O 3.5Å; K165-R234 PolarHBondContact NZ-O 3.43Å; D193-R234 HydrophobicContact CB-CB 3.7Å; D193-R234 PolarHBondContact OD2-N 2.99Å
235A91.3Very high92.3Very high6 Ų619.3 Ų19.35%0.059%0.092CC..  trans-155.1165.5178.300000111.2K165 I167 F238K165-A235 HydrophobicContact CG-CB 4.45Å; K165-A235 VanDerWaalsContact O-CB 3.27Å; K165-A235 WeakPolarHBondContact O-CB 3.41Å; I167-A235 HydrophobicContact CB-CB 4.32Å; I167-A235 HydrophobicContact CD1-CB 3.28Å; I167-A235 HydrophobicContact CG1-CB 3.61Å; A235-F238 HydrophobicContact CB-CE1 4.18Å; A235-F238 HydrophobicContact CB-CE2 4.24Å; A235-F238 HydrophobicContact CB-CZ 3.91Å; A235-F238 WeakPolarHBondContact O-CE2 3.49Å; A235-F238 WeakPolarHBondContact O-CZ 3.49Å
236D92.4Very high91.8Very high60 Ų6022.8 Ų22.832%0.32111%0.105SC..SBendtrans-99.6-29.6178.7-46.2-68.3000111L164 K165 R267 Y268L164-D236 HydrophobicContact CB-CB 4.32Å; L164-D236 HydrophobicContact CD2-CB 3.79Å; K165-D236 PolarHBondContact N-OD2 3.29Å; K165-D236 PolarHBondContact O-N 2.91Å; K165-D236 VanDerWaalsContact O-N 3.16Å; D236-R267 CarbonylContact O-C 3.54Å; D236-R267 WeakPolarHBondContact O-CA 3.26Å; D236-Y268 PolarHBondContact O-N 2.89Å
237I94.4Very high91.6Very high0 Ų022.5 Ų22.50%010%0.103CC..EExtended strand (participates in β ladder)trans-121117.4-179.7-54.3153.7000109.9Y155 I159 L164 K165 A166 I167 M239 Y268Y155-I237 HydrophobicContact CE2-CD1 4.05Å; Y155-I237 HydrophobicContact CE2-CG1 4.25Å; Y155-I237 VanDerWaalsContact OH-CD1 3.27Å; Y155-I237 WeakPolarHBondContact OH-CD1 3.43Å; I159-I237 HydrophobicContact CD1-CD1 4.35Å; I159-I237 HydrophobicContact CG1-CD1 4.24Å; L164-I237 HydrophobicContact CB-CD1 3.74Å; L164-I237 HydrophobicContact CB-CG1 4.44Å; L164-I237 HydrophobicContact CD1-CD1 4.02Å; L164-I237 HydrophobicContact CD1-CG1 4.44Å; K165-I237 PolarHBondContact O-N 3.45Å; A166-I237 WeakPolarHBondContact CA-O 3.36Å; A166-I237 HydrophobicContact CB-CB 4.02Å; A166-I237 HydrophobicContact CB-CD1 4.16Å; A166-I237 HydrophobicContact CB-CG2 4.36Å; I167-I237 PolarHBondContact N-O 3.46Å; I237-M239 HydrophobicContact CG2-CE 3.36Å; I237-M239 HydrophobicContact CG2-CG 4.08Å; I237-Y268 WeakPolarHBondContact CA-O 3.33Å; I237-Y268 HydrophobicContact CG1-CD2 4.01Å; I237-Y268 HydrophobicContact CG1-CG 4.37Å
238F95.7Very high91.1Very high2 Ų222.5 Ų22.51%0.00910%0.103CC..EExtended strand (participates in β ladder)trans-108.6123.7176-64.2-91.4000110.1V230 A235 F240 L262 R267 Y268 I269 I270V230-F238 HydrophobicContact CG1-CD1 3.9Å; V230-F238 WeakPolarHBondContact O-CE1 3.43Å; A235-F238 HydrophobicContact CB-CE1 4.18Å; A235-F238 HydrophobicContact CB-CE2 4.24Å; A235-F238 HydrophobicContact CB-CZ 3.91Å; A235-F238 WeakPolarHBondContact O-CE2 3.49Å; A235-F238 WeakPolarHBondContact O-CZ 3.49Å; F238-F240 HydrophobicContact CB-CE2 3.87Å; F238-F240 HydrophobicContact CB-CZ 4.45Å; F238-L262 HydrophobicContact CD1-CD1 3.93Å; F238-L262 HydrophobicContact CE1-CD1 4.29Å; F238-L262 HydrophobicContact CG-CD1 4.14Å; F238-R267 HydrophobicContact CE2-CG 4.01Å; F238-Y268 PolarHBondContact N-O 3.48Å; F238-I269 HydrophobicContact CB-CG1 4.47Å; F238-I269 WeakPolarHBondContact O-CA 3.24Å; F238-I270 PolarHBondContact O-N 3.37Å
239M95.7Very high90.7Very high0 Ų022.8 Ų22.80%011%0.105CC..EExtended strand (participates in β ladder)trans-121.8126.8178-55.3-172-17600111.1L120 L123 A124 I167 V168 K169 I237 I270L120-M239 HydrophobicContact CB-SD 4.27Å; L120-M239 HydrophobicContact CD2-CB 4.37Å; L120-M239 HydrophobicContact CD2-CG 4.4Å; L120-M239 HydrophobicContact CD2-SD 3.89Å; L123-M239 VanDerWaalsContact C-CE 3.46Å; L123-M239 HydrophobicContact CB-CE 3.69Å; A124-M239 HydrophobicContact CB-CE 3.84Å; A124-M239 HydrophobicContact CB-SD 3.84Å; I167-M239 PolarHBondContact O-N 2.98Å; V168-M239 WeakPolarHBondContact CA-O 3.18Å; V168-M239 HydrophobicContact CB-CB 4.38Å; V168-M239 HydrophobicContact CG1-CB 4.19Å; V168-M239 HydrophobicContact CG2-CB 4.1Å; V168-M239 HydrophobicContact CG2-CG 4.35Å; V168-M239 HydrophobicContact CG2-SD 4.02Å; K169-M239 PolarHBondContact N-O 3.4Å; I237-M239 HydrophobicContact CG2-CE 3.36Å; I237-M239 HydrophobicContact CG2-CG 4.08Å; M239-I270 CarbonylContact C-O 3.56Å; M239-I270 WeakPolarHBondContact CA-O 3.36Å; M239-I270 HydrophobicContact CE-CD1 3.98Å; M239-I270 HydrophobicContact CG-CB 4.36Å
240F94.9Very high90.4Very high0 Ų025.1 Ų25.10%011%0.113CC..EExtended strand (participates in β ladder)trans-116.3109.2177.6-60.8-86.4000109.8K169 I227 V230 F238 P243 I259 L262 I269 I270 V271 V272K169-F240 HydrophobicContact CB-CD1 4.13Å; I227-F240 HydrophobicContact CG2-CE1 4.22Å; V230-F240 HydrophobicContact CB-CE1 4.06Å; V230-F240 HydrophobicContact CB-CZ 4.47Å; V230-F240 HydrophobicContact CG1-CE1 3.65Å; V230-F240 HydrophobicContact CG1-CZ 3.67Å; F238-F240 HydrophobicContact CB-CE2 3.87Å; F238-F240 HydrophobicContact CB-CZ 4.45Å; F240-P243 HydrophobicContact CB-CB 4.22Å; F240-P243 HydrophobicContact CB-CG 3.89Å; F240-I259 HydrophobicContact CB-CD1 4.5Å; F240-I259 HydrophobicContact CD1-CD1 3.96Å; F240-I259 HydrophobicContact CD1-CG1 4.16Å; F240-I259 HydrophobicContact CD2-CD1 4.35Å; F240-I259 HydrophobicContact CD2-CG1 4.31Å; F240-I259 HydrophobicContact CD2-CG2 3.88Å; F240-I259 HydrophobicContact CE1-CD1 4.26Å; F240-I259 HydrophobicContact CE1-CG1 3.95Å; F240-I259 HydrophobicContact CE2-CB 4.47Å; F240-I259 HydrophobicContact CE2-CG1 4.1Å; F240-I259 HydrophobicContact CE2-CG2 3.74Å; F240-I259 HydrophobicContact CG-CD1 4.01Å; F240-I259 HydrophobicContact CG-CG1 4.34Å; F240-I259 HydrophobicContact CZ-CG1 3.92Å; F240-I259 HydrophobicContact CZ-CG2 4.35Å; F240-L262 HydrophobicContact CE2-CD1 4.08Å; F240-L262 HydrophobicContact CZ-CD1 3.77Å; F240-I269 HydrophobicContact CD2-CG2 4.42Å; F240-I269 HydrophobicContact CE2-CG2 4.34Å; F240-I270 PolarHBondContact N-O 3.4Å; F240-V271 HydrophobicContact CB-CG2 4.35Å; F240-V271 HydrophobicContact CD2-CG2 4.28Å; F240-V271 WeakPolarHBondContact O-CA 3.21Å; F240-V272 PolarHBondContact O-N 2.97Å
241D91.6Very high90.3Very high11 Ų1126.1 Ų26.16%0.05912%0.118CC..EExtended strand (participates in β ladder)trans-95.2108.4174.1-156.3-6.6000109.6S117 L120 K169 Q171S117-D241 PolarHBondContact OG-OD2 3.21Å; L120-D241 HydrophobicContact CD1-CB 3.91Å; K169-D241 WeakPolarHBondContact CD-O 3.49Å; K169-D241 PolarHBondContact NZ-O 2.91Å; Q171-D241 HydrophobicContact CB-CB 4.23Å
242E89.4Confident90.2Very high27 Ų2727 Ų2713%0.12612%0.121CC..SBendtrans50.863.6-176.5-61.3178.6-155.200113.7K169 Q171 Q223 S244 S245 V272 H274K169-E242 PolarHBondContact NZ-O 3.39Å; Q171-E242 PolarHBondContact NE2-OE1 2.89Å; Q223-E242 PolarHBondContact NE2-O 2.9Å; E242-S244 VanDerWaalsContact C-N 3.28Å; E242-S244 PolarHBondContact O-N 2.85Å; E242-S245 PolarHBondContact OE2-OG 3.48Å; E242-V272 WeakPolarHBondContact CA-O 3.47Å; E242-V272 PolarHBondContact N-O 3.22Å; E242-H274 IonicContact OE1-CD2 3.69Å; E242-H274 PolarHBondContact OE1-CD2 3.3Å; E242-H274 IonicContact OE1-NE2 3.95Å; E242-H274 PolarHBondContact OE1-NE2 2.81Å
243P91.8Very high89.9Confident3 Ų327.4 Ų27.42%0.01912%0.123CC..THydrogen-bonded Turntrans-64.6-22.9176.724.2-32.1000114.6Q223 I227 F240 L247 I259 V271 V272 E273 L282Q223-P243 PolarHBondContact NE2-O 3.38Å; I227-P243 HydrophobicContact CD1-CB 3.99Å; I227-P243 HydrophobicContact CG1-CB 4.44Å; F240-P243 HydrophobicContact CB-CB 4.22Å; F240-P243 HydrophobicContact CB-CG 3.89Å; P243-L247 WeakPolarHBondContact O-CD1 3.26Å; P243-I259 HydrophobicContact CB-CD1 3.73Å; P243-I259 HydrophobicContact CG-CD1 3.96Å; P243-V271 HydrophobicContact CG-CG1 4.03Å; P243-V272 WeakPolarHBondContact CD-O 3.48Å; P243-E273 WeakPolarHBondContact CD-OE1 3.42Å; P243-E273 HydrophobicContact CG-CG 4.23Å; P243-E273 WeakPolarHBondContact CG-OE1 3.31Å; P243-L282 HydrophobicContact CG-CD1 4.47Å
244S89.3Confident89.9Confident3 Ų330.3 Ų30.32%0.02113%0.132CC..THydrogen-bonded Turntrans-87-8.9-176.187.20000114.8E242 L247 R252 E273E242-S244 VanDerWaalsContact C-N 3.28Å; E242-S244 PolarHBondContact O-N 2.85Å; S244-L247 PolarHBondContact O-N 3.28Å; S244-R252 PolarHBondContact O-NE 3.36Å; S244-E273 WeakPolarHBondContact CB-OE1 3.05Å; S244-E273 PolarHBondContact N-OE1 2.73Å; S244-E273 PolarHBondContact OG-OE1 2.92Å; S244-E273 PolarHBondContact OG-OE2 2.79Å
245S85.6Confident90Very high27 Ų2721.2 Ų21.219%0.18910%0.098CC..THydrogen-bonded Turntrans-61.6139.4-175.9-710000111.9Q223 E242 L247Q223-S245 WeakPolarHBondContact CG-O 3.27Å; E242-S245 PolarHBondContact OE2-OG 3.48Å; S245-L247 PolarHBondContact O-N 3.36Å
246Y81.9Confident90.1Very high77 Ų7721 Ų2130%0.30210%0.096SC..THydrogen-bonded Turntrans63.2-4.6-176.6-49.8-71.4000117.1V173 D174 N381 Y491V173-Y246 HydrophobicContact CG2-CD2 3.96Å; V173-Y246 HydrophobicContact CG2-CE2 3.78Å; D174-Y246 PolarHBondContact OD2-OH 3.07Å; D174-Y246 VanDerWaalsContact OD2-OH 3.13Å; Y246-N381 PolarHBondContact O-ND2 3.49Å; Y246-Y491 HydrophobicContact CE1-CE1 4.35Å; Y246-Y491 VanDerWaalsContact OH-CE1 3.29Å; Y246-Y491 WeakPolarHBondContact OH-CE1 3.46Å; Y246-Y491 PolarHBondContact OH-OH 3.19Å
247L87.9Confident90Very high1 Ų120.7 Ų20.71%0.00510%0.096CC..  trans-84.3143.8178.7-59.3-174.9000110.6G220 Q223 R224 I227 P243 S244 S245 Q251 R252 A255G220-L247 WeakPolarHBondContact O-CD2 3.19Å; Q223-L247 HydrophobicContact CB-CD2 4Å; Q223-L247 HydrophobicContact CB-CG 4.49Å; Q223-L247 HydrophobicContact CG-CD1 4.17Å; Q223-L247 HydrophobicContact CG-CD2 4.01Å; Q223-L247 HydrophobicContact CG-CG 3.99Å; R224-L247 HydrophobicContact CG-CD2 3.74Å; I227-L247 HydrophobicContact CD1-CD1 4.47Å; P243-L247 WeakPolarHBondContact O-CD1 3.26Å; S244-L247 PolarHBondContact O-N 3.28Å; S245-L247 PolarHBondContact O-N 3.36Å; L247-Q251 HydrophobicContact CB-CB 3.92Å; L247-Q251 HydrophobicContact CD1-CB 4.45Å; L247-Q251 HydrophobicContact CD2-CB 4.16Å; L247-Q251 HydrophobicContact CG-CB 4.39Å; L247-R252 HydrophobicContact CB-CG 3.6Å; L247-R252 PolarHBondContact O-NE 2.61Å; L247-R252 PolarHBondContact O-NH2 3.46Å; L247-R252 VanDerWaalsContact O-NH2 3.08Å; L247-A255 HydrophobicContact CD1-CB 3.97Å
248D85.5Confident89.9Confident1 Ų120.7 Ų20.71%0.00510%0.096CC..  trans-72.1172.7164.266.545.1000111.4K250 Q251 R252 N381D248-K250 VanDerWaalsContact C-N 3.33Å; D248-K250 PolarHBondContact O-N 3Å; D248-K250 WeakPolarHBondContact OD1-CB 3.34Å; D248-K250 PolarHBondContact OD1-N 3.42Å; D248-Q251 PolarHBondContact O-N 3.36Å; D248-Q251 WeakPolarHBondContact OD1-CB 3.22Å; D248-Q251 VanDerWaalsContact OD1-CG 3.28Å; D248-Q251 WeakPolarHBondContact OD1-CG 2.97Å; D248-Q251 PolarHBondContact OD1-N 3.4Å; D248-R252 WeakPolarHBondContact O-CB 3.07Å; D248-R252 VanDerWaalsContact O-CG 3.24Å; D248-R252 WeakPolarHBondContact O-CG 2.75Å; D248-R252 PolarHBondContact O-N 3.05Å; D248-N381 HydrophobicContact CB-CB 4.27Å; D248-N381 PolarHBondContact N-ND2 2.85Å; D248-N381 PolarHBondContact OD2-N 3.05Å
249V85.1Confident89.9Confident6 Ų620.6 Ų20.64%0.03610%0.096CC..Hα-helixtrans-54.3-45.9-176.6170.50000113R252 L253 H520 F522 F558 L562V249-R252 PolarHBondContact O-N 3.16Å; V249-L253 HydrophobicContact CG1-CD1 4.38Å; V249-L253 WeakPolarHBondContact O-CG 3.14Å; V249-L253 PolarHBondContact O-N 3.26Å; V249-H520 WeakPolarHBondContact CG2-O 3.43Å; V249-F522 HydrophobicContact CB-CE2 4.33Å; V249-F522 HydrophobicContact CB-CZ 4.25Å; V249-F522 HydrophobicContact CG1-CE1 4.28Å; V249-F522 HydrophobicContact CG1-CE2 3.4Å; V249-F522 HydrophobicContact CG1-CZ 3.22Å; V249-F522 HydrophobicContact CG2-CE2 4.03Å; V249-F522 HydrophobicContact CG2-CZ 4.01Å; V249-F558 HydrophobicContact CB-CE1 4.35Å; V249-F558 HydrophobicContact CB-CZ 4.04Å; V249-F558 HydrophobicContact CG1-CE1 4.2Å; V249-F558 HydrophobicContact CG1-CZ 4.26Å; V249-F558 HydrophobicContact CG2-CE1 4.1Å; V249-F558 HydrophobicContact CG2-CZ 3.99Å; V249-L562 HydrophobicContact CB-CD1 4.25Å; V249-L562 HydrophobicContact CG1-CD1 3.43Å; V249-L562 VanDerWaalsContact CG1-CD1 3.43Å
250K85.9Confident89.7Confident61 Ų6123 Ų2327%0.26511%0.105SC..Hα-helixtrans-68.1-45.1-177.7-173.7171.2173.1175.30111D248 R252 L253 R254 E380 L562D248-K250 VanDerWaalsContact C-N 3.33Å; D248-K250 PolarHBondContact O-N 3Å; D248-K250 WeakPolarHBondContact OD1-CB 3.34Å; D248-K250 PolarHBondContact OD1-N 3.42Å; K250-R252 VanDerWaalsContact C-N 3.34Å; K250-L253 PolarHBondContact O-N 2.96Å; K250-R254 PolarHBondContact O-N 3.41Å; K250-E380 HydrophobicContact CB-CG 4.49Å; K250-E380 HydrophobicContact CD-CG 4.4Å; K250-E380 WeakPolarHBondContact CD-OE1 3.43Å; K250-E380 IonicContact NZ-OE1 3.39Å; K250-E380 PolarHBondContact NZ-OE1 3.41Å; K250-E380 IonicContact NZ-OE2 3.95Å; K250-L562 HydrophobicContact CB-CD2 3.7Å; K250-L562 HydrophobicContact CD-CD2 4.07Å; K250-L562 HydrophobicContact CG-CD2 4.12Å
251Q89.9Confident89.5Confident28 Ų2826.2 Ų26.213%0.13113%0.128CC..Hα-helixtrans-63.8-39.8178.6-69.3174.4-6.400111.4L247 D248 L253 R254 A255L247-Q251 HydrophobicContact CB-CB 3.92Å; L247-Q251 HydrophobicContact CD1-CB 4.45Å; L247-Q251 HydrophobicContact CD2-CB 4.16Å; L247-Q251 HydrophobicContact CG-CB 4.39Å; D248-Q251 PolarHBondContact O-N 3.36Å; D248-Q251 WeakPolarHBondContact OD1-CB 3.22Å; D248-Q251 VanDerWaalsContact OD1-CG 3.28Å; D248-Q251 WeakPolarHBondContact OD1-CG 2.97Å; D248-Q251 PolarHBondContact OD1-N 3.4Å; Q251-L253 VanDerWaalsContact C-N 3.31Å; Q251-L253 PolarHBondContact O-N 3.49Å; Q251-R254 PolarHBondContact O-N 2.9Å; Q251-A255 VanDerWaalsContact O-CB 3.31Å; Q251-A255 WeakPolarHBondContact O-CB 3.47Å; Q251-A255 PolarHBondContact O-N 2.93Å
252R91Very high89.5Confident22 Ų2226.2 Ų26.28%0.08313%0.128CC..Hα-helixtrans-57.9-43.9174.1-73.4180-165.4178.711.2111.6S244 L247 D248 V249 K250 A255 A256 D275 V278 H520S244-R252 PolarHBondContact O-NE 3.36Å; L247-R252 HydrophobicContact CB-CG 3.6Å; L247-R252 PolarHBondContact O-NE 2.61Å; L247-R252 PolarHBondContact O-NH2 3.46Å; L247-R252 VanDerWaalsContact O-NH2 3.08Å; D248-R252 WeakPolarHBondContact O-CB 3.07Å; D248-R252 VanDerWaalsContact O-CG 3.24Å; D248-R252 WeakPolarHBondContact O-CG 2.75Å; D248-R252 PolarHBondContact O-N 3.05Å; V249-R252 PolarHBondContact O-N 3.16Å; K250-R252 VanDerWaalsContact C-N 3.34Å; R252-A255 PolarHBondContact O-N 2.82Å; R252-A256 WeakPolarHBondContact O-CB 3.39Å; R252-A256 PolarHBondContact O-N 3.22Å; R252-D275 IonicContact CZ-OD2 3.38Å; R252-D275 IonicContact NH1-OD2 3.12Å; R252-D275 PolarHBondContact NH1-OD2 3.14Å; R252-V278 HydrophobicContact CB-CG2 3.97Å; R252-V278 HydrophobicContact CG-CG2 4.43Å; R252-H520 PolarHBondContact NH1-O 2.93Å; R252-H520 VanDerWaalsContact NH2-CB 3.33Å
253L87.6Confident89.7Confident10 Ų1027.6 Ų27.65%0.05214%0.136CC..Hα-helixtrans-74.5-38.1-177.9-68.9168.9000112.5V249 K250 Q251 A255 A256 V257 Y281 I564 I577V249-L253 HydrophobicContact CG1-CD1 4.38Å; V249-L253 WeakPolarHBondContact O-CG 3.14Å; V249-L253 PolarHBondContact O-N 3.26Å; K250-L253 PolarHBondContact O-N 2.96Å; Q251-L253 VanDerWaalsContact C-N 3.31Å; Q251-L253 PolarHBondContact O-N 3.49Å; L253-A255 VanDerWaalsContact C-N 3.35Å; L253-A256 WeakPolarHBondContact O-CB 3.24Å; L253-A256 PolarHBondContact O-N 3.44Å; L253-A256 VanDerWaalsContact O-N 3.16Å; L253-V257 VanDerWaalsContact O-CG2 3.28Å; L253-V257 WeakPolarHBondContact O-CG2 3.39Å; L253-V257 PolarHBondContact O-N 2.83Å; L253-Y281 HydrophobicContact CD2-CG 4.5Å; L253-I564 HydrophobicContact CD1-CB 4.47Å; L253-I564 HydrophobicContact CD1-CD1 3.1Å; L253-I564 HydrophobicContact CD1-CG1 3.74Å; L253-I564 HydrophobicContact CD1-CG2 4.32Å; L253-I564 HydrophobicContact CG-CD1 4.38Å; L253-I577 HydrophobicContact CD2-CD1 3.86Å; L253-I577 HydrophobicContact CD2-CG2 4.49Å
254R90.6Very high89.6Confident98 Ų9828.9 Ų28.937%0.3715%0.145SC..Hα-helixtrans-59.9-44.8170-77.3179.5171.9-167.5-2.3112Q203 K250 Q251 A256 V257 T258Q203-R254 WeakPolarHBondContact O-CB 3.38Å; Q203-R254 WeakPolarHBondContact O-CD 3.4Å; K250-R254 PolarHBondContact O-N 3.41Å; Q251-R254 PolarHBondContact O-N 2.9Å; R254-A256 VanDerWaalsContact C-N 3.29Å; R254-A256 PolarHBondContact O-N 3.5Å; R254-V257 PolarHBondContact O-N 3.28Å; R254-T258 WeakPolarHBondContact O-CB 3.31Å; R254-T258 PolarHBondContact O-N 2.59Å; R254-T258 PolarHBondContact O-OG1 3.24Å
255A93.4Very high89.6Confident2 Ų233.6 Ų33.62%0.01718%0.175CC..Hα-helixtrans-58.6-43.6172.500000111.4L204 I227 L247 Q251 R252 L253 T258 I259L204-A255 HydrophobicContact CD2-CB 4.18Å; I227-A255 HydrophobicContact CD1-CB 3.82Å; L247-A255 HydrophobicContact CD1-CB 3.97Å; Q251-A255 VanDerWaalsContact O-CB 3.31Å; Q251-A255 WeakPolarHBondContact O-CB 3.47Å; Q251-A255 PolarHBondContact O-N 2.93Å; R252-A255 PolarHBondContact O-N 2.82Å; L253-A255 VanDerWaalsContact C-N 3.35Å; A255-T258 PolarHBondContact O-N 2.95Å; A255-I259 VanDerWaalsContact O-CG1 3.28Å; A255-I259 WeakPolarHBondContact O-CG1 3.47Å; A255-I259 PolarHBondContact O-N 3.04Å
256A92.3Very high89.8Confident1 Ų138.3 Ų38.31%0.00820%0.198CC..Hα-helixtrans-64.2-44.2179.300000113R252 L253 R254 T258 I259 R260 V278 Y281 L282R252-A256 WeakPolarHBondContact O-CB 3.39Å; R252-A256 PolarHBondContact O-N 3.22Å; L253-A256 WeakPolarHBondContact O-CB 3.24Å; L253-A256 PolarHBondContact O-N 3.44Å; L253-A256 VanDerWaalsContact O-N 3.16Å; R254-A256 VanDerWaalsContact C-N 3.29Å; R254-A256 PolarHBondContact O-N 3.5Å; A256-T258 VanDerWaalsContact C-N 3.34Å; A256-T258 PolarHBondContact O-N 3.27Å; A256-I259 PolarHBondContact O-N 2.95Å; A256-R260 WeakPolarHBondContact O-CG 3.35Å; A256-R260 PolarHBondContact O-N 2.88Å; A256-V278 HydrophobicContact CB-CG1 4.41Å; A256-Y281 HydrophobicContact CB-CD1 3.66Å; A256-Y281 HydrophobicContact CB-CE1 3.98Å; A256-L282 VanDerWaalsContact CA-CD2 3.44Å; A256-L282 HydrophobicContact CB-CD1 4.34Å; A256-L282 HydrophobicContact CB-CD2 3.6Å; A256-L282 HydrophobicContact CB-CG 3.73Å; A256-L282 WeakPolarHBondContact O-CD2 3.43Å
257V90.3Very high90.3Very high54 Ų5438.5 Ų38.533%0.32720%0.199SC..Hα-helixtrans-59.6-45.6173.6172.40000110.7L253 R254 I259 R260 S261 Y281L253-V257 VanDerWaalsContact O-CG2 3.28Å; L253-V257 WeakPolarHBondContact O-CG2 3.39Å; L253-V257 PolarHBondContact O-N 2.83Å; R254-V257 PolarHBondContact O-N 3.28Å; V257-I259 PolarHBondContact O-N 3.28Å; V257-R260 PolarHBondContact O-N 2.9Å; V257-S261 PolarHBondContact O-N 2.72Å; V257-Y281 HydrophobicContact CG2-CE1 4.05Å; V257-Y281 WeakPolarHBondContact CG2-OH 3.22Å
258T93.4Very high90.6Very high0 Ų039.1 Ų39.10%020%0.201CC..Hα-helixtrans-61.8-45.7179.6-50.90000110.9V200 Q203 L204 R254 A255 A256 R260 S261V200-T258 HydrophobicContact CG1-CG2 4.23Å; Q203-T258 PolarHBondContact OE1-OG1 3.12Å; L204-T258 HydrophobicContact CD1-CG2 4.24Å; L204-T258 HydrophobicContact CG-CG2 4.25Å; R254-T258 WeakPolarHBondContact O-CB 3.31Å; R254-T258 PolarHBondContact O-N 2.59Å; R254-T258 PolarHBondContact O-OG1 3.24Å; A255-T258 PolarHBondContact O-N 2.95Å; A256-T258 VanDerWaalsContact C-N 3.34Å; A256-T258 PolarHBondContact O-N 3.27Å; T258-R260 VanDerWaalsContact C-N 3.35Å; T258-R260 PolarHBondContact O-N 3.16Å; T258-S261 WeakPolarHBondContact O-CB 3.34Å; T258-S261 PolarHBondContact O-N 2.87Å; T258-S261 VanDerWaalsContact O-N 3.14Å; T258-S261 PolarHBondContact O-OG 2.87Å
259I94.1Very high91.1Very high1 Ų139.1 Ų39.11%0.00520%0.201CC..Hα-helixtrans-62.6-42.5177.1-68.4166000110.7I227 F240 P243 A255 A256 V257 S261 L262 I269 V271 L282I227-I259 HydrophobicContact CG2-CG1 4.21Å; F240-I259 HydrophobicContact CB-CD1 4.5Å; F240-I259 HydrophobicContact CD1-CD1 3.96Å; F240-I259 HydrophobicContact CD1-CG1 4.16Å; F240-I259 HydrophobicContact CD2-CD1 4.35Å; F240-I259 HydrophobicContact CD2-CG1 4.31Å; F240-I259 HydrophobicContact CD2-CG2 3.88Å; F240-I259 HydrophobicContact CE1-CD1 4.26Å; F240-I259 HydrophobicContact CE1-CG1 3.95Å; F240-I259 HydrophobicContact CE2-CB 4.47Å; F240-I259 HydrophobicContact CE2-CG1 4.1Å; F240-I259 HydrophobicContact CE2-CG2 3.74Å; F240-I259 HydrophobicContact CG-CD1 4.01Å; F240-I259 HydrophobicContact CG-CG1 4.34Å; F240-I259 HydrophobicContact CZ-CG1 3.92Å; F240-I259 HydrophobicContact CZ-CG2 4.35Å; P243-I259 HydrophobicContact CB-CD1 3.73Å; P243-I259 HydrophobicContact CG-CD1 3.96Å; A255-I259 VanDerWaalsContact O-CG1 3.28Å; A255-I259 WeakPolarHBondContact O-CG1 3.47Å; A255-I259 PolarHBondContact O-N 3.04Å; A256-I259 PolarHBondContact O-N 2.95Å; V257-I259 PolarHBondContact O-N 3.28Å; I259-S261 VanDerWaalsContact C-N 3.26Å; I259-S261 PolarHBondContact O-N 3.36Å; I259-L262 WeakPolarHBondContact O-CB 3.12Å; I259-L262 PolarHBondContact O-N 2.73Å; I259-L262 VanDerWaalsContact O-N 3.16Å; I259-I269 HydrophobicContact CG2-CG2 4.2Å; I259-V271 HydrophobicContact CG2-CG2 4.18Å; I259-L282 HydrophobicContact CB-CD2 3.97Å; I259-L282 HydrophobicContact CD1-CD2 4.46Å; I259-L282 HydrophobicContact CG2-CD2 3.99Å
260R92.2Very high91.6Very high49 Ų4938.9 Ų38.919%0.18520%0.199CC..Hα-helixtrans-65.9-26.5176-73.2-167.271.810116.3113.2A256 V257 T258 L262 I263 Y281 L282 D284A256-R260 WeakPolarHBondContact O-CG 3.35Å; A256-R260 PolarHBondContact O-N 2.88Å; V257-R260 PolarHBondContact O-N 2.9Å; T258-R260 VanDerWaalsContact C-N 3.35Å; T258-R260 PolarHBondContact O-N 3.16Å; R260-L262 PolarHBondContact O-N 3.27Å; R260-I263 HydrophobicContact CB-CD1 4.1Å; R260-I263 HydrophobicContact CG-CD1 4.32Å; R260-I263 WeakPolarHBondContact O-CB 3.21Å; R260-I263 VanDerWaalsContact O-CD1 3.28Å; R260-I263 WeakPolarHBondContact O-CD1 3.45Å; R260-I263 WeakPolarHBondContact O-CG1 3.39Å; R260-I263 PolarHBondContact O-N 3.4Å; R260-I263 VanDerWaalsContact O-N 3.14Å; R260-Y281 WeakPolarHBondContact CD-O 3.35Å; R260-Y281 PolarHBondContact NH1-O 2.85Å; R260-L282 HydrophobicContact CG-CD2 4.16Å; R260-L282 PolarHBondContact NH1-O 2.87Å; R260-D284 IonicContact CZ-OD1 3.82Å; R260-D284 IonicContact NH1-OD1 2.75Å; R260-D284 PolarHBondContact NH1-OD1 2.84Å; R260-D284 VanDerWaalsContact NH1-OD1 3.09Å; R260-D284 IonicContact NH2-OD1 2.94Å; R260-D284 PolarHBondContact NH2-OD1 2.7Å; R260-D284 IonicContact NH2-OD2 3.66Å; R260-D284 PolarHBondContact NH2-OD2 3.42Å
261S91.1Very high92.1Very high69 Ų6936 Ų3648%0.48319%0.187SC..Hα-helixtrans-65.4-17.7175.480.80000113.2V257 T258 I259 I263V257-S261 PolarHBondContact O-N 2.72Å; T258-S261 WeakPolarHBondContact O-CB 3.34Å; T258-S261 PolarHBondContact O-N 2.87Å; T258-S261 VanDerWaalsContact O-N 3.14Å; T258-S261 PolarHBondContact O-OG 2.87Å; I259-S261 VanDerWaalsContact C-N 3.26Å; I259-S261 PolarHBondContact O-N 3.36Å; S261-I263 PolarHBondContact O-N 2.84Å
262L91.1Very high92.3Very high11 Ų1134.6 Ų34.66%0.05818%0.18CC..THydrogen-bonded Turntrans-75.1-12.5175.4-62.1176.7000113.5C231 F238 F240 I259 R260 S264 R267 I269C231-L262 HydrophobicContact CB-CD1 4.35Å; C231-L262 HydrophobicContact CB-CD2 4.17Å; F238-L262 HydrophobicContact CD1-CD1 3.93Å; F238-L262 HydrophobicContact CE1-CD1 4.29Å; F238-L262 HydrophobicContact CG-CD1 4.14Å; F240-L262 HydrophobicContact CE2-CD1 4.08Å; F240-L262 HydrophobicContact CZ-CD1 3.77Å; I259-L262 WeakPolarHBondContact O-CB 3.12Å; I259-L262 PolarHBondContact O-N 2.73Å; I259-L262 VanDerWaalsContact O-N 3.16Å; R260-L262 PolarHBondContact O-N 3.27Å; L262-S264 PolarHBondContact O-N 2.84Å; L262-R267 WeakPolarHBondContact O-CD 3.46Å; L262-R267 PolarHBondContact O-NH1 3.02Å; L262-I269 HydrophobicContact CB-CD1 3.85Å
263I92.7Very high92.3Very high56 Ų5633.6 Ų33.629%0.28718%0.177SC..  trans-58.7122.6-177.3-66.3166.9000109.6G103 V105 R260 S261 I269G103-I263 WeakPolarHBondContact O-CG2 3.07Å; V105-I263 HydrophobicContact CG2-CD1 3.73Å; V105-I263 HydrophobicContact CG2-CG1 3.8Å; R260-I263 HydrophobicContact CB-CD1 4.1Å; R260-I263 HydrophobicContact CG-CD1 4.32Å; R260-I263 WeakPolarHBondContact O-CB 3.21Å; R260-I263 VanDerWaalsContact O-CD1 3.28Å; R260-I263 WeakPolarHBondContact O-CD1 3.45Å; R260-I263 WeakPolarHBondContact O-CG1 3.39Å; R260-I263 PolarHBondContact O-N 3.4Å; R260-I263 VanDerWaalsContact O-N 3.14Å; S261-I263 PolarHBondContact O-N 2.84Å; I263-I269 HydrophobicContact CB-CD1 4.42Å; I263-I269 HydrophobicContact CG1-CD1 3.78Å
264S90.3Very high92.4Very high30 Ų3033.5 Ų33.521%0.2118%0.176CC..  trans-150.9153.5174.478.20000108.4G103 L262 D266 R267G103-S264 WeakPolarHBondContact CA-O 3.42Å; G103-S264 PolarHBondContact N-O 3.2Å; L262-S264 PolarHBondContact O-N 2.84Å; S264-D266 PolarHBondContact O-N 3.36Å; S264-R267 PolarHBondContact O-N 3.43Å; S264-R267 WeakPolarHBondContact OG-CB 3.41Å; S264-R267 WeakPolarHBondContact OG-CD 3.48Å; S264-R267 WeakPolarHBondContact OG-CG 3.32Å; S264-R267 PolarHBondContact OG-NE 3.39Å
265P89.3Confident92.3Very high102 Ų10228.9 Ų28.966%0.66216%0.159SC*.THydrogen-bonded Turntrans-58.7-21-170.323.8-34.9000114.7P102P102-P265 WeakPolarHBondContact CB-O 3.38Å
266D89.1Confident92.1Very high126 Ų12629.2 Ų29.267%0.67416%0.16SC*.THydrogen-bonded Turntrans-104.8-1.7-177.6-55.6-50.8000114S264S264-D266 PolarHBondContact O-N 3.36Å
267R92.8Very high91.9Very high81 Ų8129.1 Ų29.131%0.30616%0.159SC..  trans-102.1136-176.2-73.1172.7-169.6169.40.9111.9P102 G103 D236 F238 L262 S264P102-R267 CarbonylContact C-O 3.59Å; P102-R267 VanDerWaalsContact CA-O 3.31Å; P102-R267 WeakPolarHBondContact CA-O 3.16Å; G103-R267 PolarHBondContact N-O 2.92Å; D236-R267 CarbonylContact O-C 3.54Å; D236-R267 WeakPolarHBondContact O-CA 3.26Å; F238-R267 HydrophobicContact CE2-CG 4.01Å; L262-R267 WeakPolarHBondContact O-CD 3.46Å; L262-R267 PolarHBondContact O-NH1 3.02Å; S264-R267 PolarHBondContact O-N 3.43Å; S264-R267 WeakPolarHBondContact OG-CB 3.41Å; S264-R267 WeakPolarHBondContact OG-CD 3.48Å; S264-R267 WeakPolarHBondContact OG-CG 3.32Å; S264-R267 PolarHBondContact OG-NE 3.39Å
268Y94.7Very high91.9Very high14 Ų1426.8 Ų26.86%0.05515%0.145CC..EExtended strand (participates in β ladder)trans-95.1125.4171.1-60.7-88.9000109.5P100 P102 Y155 L164 D236 I237 F238P100-Y268 HydrophobicContact CB-CD1 3.95Å; P100-Y268 HydrophobicContact CG-CD1 4.38Å; P102-Y268 HydrophobicContact CB-CD1 4.13Å; P102-Y268 HydrophobicContact CB-CE1 3.83Å; P102-Y268 HydrophobicContact CB-CE2 4.25Å; P102-Y268 HydrophobicContact CG-CE1 4.08Å; Y155-Y268 HydrophobicContact CD2-CD1 4.19Å; Y155-Y268 AromaticContact CD2-CE1 3.94Å; Y155-Y268 HydrophobicContact CD2-CE1 3.94Å; Y155-Y268 HydrophobicContact CE2-CD1 4.11Å; Y155-Y268 HydrophobicContact CE2-CD2 4.36Å; Y155-Y268 HydrophobicContact CE2-CE1 4.3Å; Y155-Y268 HydrophobicContact CE2-CG 4.12Å; L164-Y268 HydrophobicContact CD1-CE2 4.16Å; D236-Y268 PolarHBondContact O-N 2.89Å; I237-Y268 WeakPolarHBondContact CA-O 3.33Å; I237-Y268 HydrophobicContact CG1-CD2 4.01Å; I237-Y268 HydrophobicContact CG1-CG 4.37Å; F238-Y268 PolarHBondContact N-O 3.48Å
269I96.3Very high91.8Very high1 Ų126.8 Ų26.81%0.00515%0.145CC..EExtended strand (participates in β ladder)trans-122.5121.1178.6-54.7174.3000109V105 L106 F238 F240 I259 L262 I263 V271V105-I269 HydrophobicContact CG1-CG2 4.13Å; V105-I269 HydrophobicContact CG2-CB 4.2Å; V105-I269 HydrophobicContact CG2-CD1 4.29Å; V105-I269 HydrophobicContact CG2-CG2 4.09Å; L106-I269 PolarHBondContact N-O 2.94Å; F238-I269 HydrophobicContact CB-CG1 4.47Å; F238-I269 WeakPolarHBondContact O-CA 3.24Å; F240-I269 HydrophobicContact CD2-CG2 4.42Å; F240-I269 HydrophobicContact CE2-CG2 4.34Å; I259-I269 HydrophobicContact CG2-CG2 4.2Å; L262-I269 HydrophobicContact CB-CD1 3.85Å; I263-I269 HydrophobicContact CB-CD1 4.42Å; I263-I269 HydrophobicContact CG1-CD1 3.78Å; I269-V271 HydrophobicContact CG2-CG2 4.3Å
270I96.4Very high91.7Very high0 Ų027 Ų270%015%0.146CC..EExtended strand (participates in β ladder)trans-120.8127.1178.5-48.8178.5000108.9P100 L106 L108 L120 L123 F238 M239 F240P100-I270 HydrophobicContact CB-CD1 3.95Å; P100-I270 HydrophobicContact CB-CG1 4.18Å; P100-I270 HydrophobicContact CG-CD1 4.43Å; L106-I270 WeakPolarHBondContact O-CA 3.28Å; L108-I270 HydrophobicContact CD1-CG2 3.6Å; L108-I270 HydrophobicContact CG-CG2 4.14Å; L120-I270 HydrophobicContact CD2-CB 4.28Å; L120-I270 HydrophobicContact CD2-CG2 3.66Å; L123-I270 HydrophobicContact CB-CD1 4.33Å; L123-I270 HydrophobicContact CD1-CD1 3.8Å; F238-I270 PolarHBondContact O-N 3.37Å; M239-I270 CarbonylContact C-O 3.56Å; M239-I270 WeakPolarHBondContact CA-O 3.36Å; M239-I270 HydrophobicContact CE-CD1 3.98Å; M239-I270 HydrophobicContact CG-CB 4.36Å; F240-I270 PolarHBondContact N-O 3.4Å
271V95.9Very high91.6Very high0 Ų025.6 Ų25.60%014%0.141CC..EExtended strand (participates in β ladder)trans-122.6126.7180177.60000109.1V105 L106 G107 L108 F240 P243 I259 I269 E273 L282V105-V271 HydrophobicContact CG1-CB 4.41Å; V105-V271 HydrophobicContact CG1-CG2 3.73Å; L106-V271 PolarHBondContact O-N 3.44Å; G107-V271 CarbonylContact C-O 3.52Å; G107-V271 WeakPolarHBondContact CA-O 3.26Å; L108-V271 PolarHBondContact N-O 2.89Å; F240-V271 HydrophobicContact CB-CG2 4.35Å; F240-V271 HydrophobicContact CD2-CG2 4.28Å; F240-V271 WeakPolarHBondContact O-CA 3.21Å; P243-V271 HydrophobicContact CG-CG1 4.03Å; I259-V271 HydrophobicContact CG2-CG2 4.18Å; I269-V271 HydrophobicContact CG2-CG2 4.3Å; V271-E273 HydrophobicContact CG1-CB 4.37Å; V271-E273 HydrophobicContact CG1-CG 3.75Å; V271-L282 HydrophobicContact CG1-CD1 3.78Å
272V94Very high91.6Very high0 Ų022.4 Ų22.40%012%0.118CC..EExtended strand (participates in β ladder)trans-100.6122.5166.4177.60000108L108 K116 L120 F240 E242 P243L108-V272 HydrophobicContact CB-CB 4.49Å; L108-V272 HydrophobicContact CB-CG2 3.88Å; L108-V272 HydrophobicContact CD1-CG2 3.74Å; L108-V272 HydrophobicContact CG-CG2 4.37Å; K116-V272 HydrophobicContact CB-CG1 4.22Å; K116-V272 HydrophobicContact CB-CG2 4.42Å; K116-V272 HydrophobicContact CD-CG1 3.9Å; L120-V272 HydrophobicContact CD1-CG2 3.58Å; L120-V272 HydrophobicContact CD2-CG2 4.18Å; L120-V272 HydrophobicContact CG-CG2 3.96Å; F240-V272 PolarHBondContact O-N 2.97Å; E242-V272 WeakPolarHBondContact CA-O 3.47Å; E242-V272 PolarHBondContact N-O 3.22Å; P243-V272 WeakPolarHBondContact CD-O 3.48Å
273E91.5Very high91.7Very high1 Ų121.9 Ų21.91%0.00512%0.116CC..  trans-137.1152-179.7-94.2-59.4160.100112.9L108 P243 S244 V271 D275 V278 L279 L282L108-E273 PolarHBondContact O-N 3.32Å; P243-E273 WeakPolarHBondContact CD-OE1 3.42Å; P243-E273 HydrophobicContact CG-CG 4.23Å; P243-E273 WeakPolarHBondContact CG-OE1 3.31Å; S244-E273 WeakPolarHBondContact CB-OE1 3.05Å; S244-E273 PolarHBondContact N-OE1 2.73Å; S244-E273 PolarHBondContact OG-OE1 2.92Å; S244-E273 PolarHBondContact OG-OE2 2.79Å; V271-E273 HydrophobicContact CG1-CB 4.37Å; V271-E273 HydrophobicContact CG1-CG 3.75Å; E273-D275 PolarHBondContact OE2-N 3.47Å; E273-V278 HydrophobicContact CG-CG1 4.49Å; E273-L279 HydrophobicContact CB-CB 4.05Å; E273-L279 HydrophobicContact CB-CD1 3.9Å; E273-L282 HydrophobicContact CG-CD1 4.32Å
274H88.4Confident91.8Very high7 Ų721 Ų213%0.03211%0.112CC..SBendtrans-111.5-22.2174.4-77.9-69.4000112.5G110 N112 K116 E242 L276 D493 S494G110-H274 PolarHBondContact O-CE1 3.42Å; N112-H274 PolarHBondContact OD1-CE1 3.39Å; N112-H274 PolarHBondContact OD1-NE2 2.86Å; K116-H274 PolarHBondContact NZ-CE1 3.42Å; K116-H274 PolarHBondContact NZ-NE2 3.47Å; E242-H274 IonicContact OE1-CD2 3.69Å; E242-H274 PolarHBondContact OE1-CD2 3.3Å; E242-H274 IonicContact OE1-NE2 3.95Å; E242-H274 PolarHBondContact OE1-NE2 2.81Å; H274-L276 PolarHBondContact O-N 2.99Å; H274-D493 WeakPolarHBondContact CE1-CB 3.24Å; H274-D493 WeakPolarHBondContact ND1-CA 3.42Å; H274-D493 WeakPolarHBondContact ND1-CB 3.35Å; H274-S494 WeakPolarHBondContact O-CB 3.49Å
275D89.1Confident92Very high2 Ų222.3 Ų22.31%0.01111%0.114CC..  trans-81.2106.6171.1-173.8-27.8000109.3R252 E273 S277 V278 L279R252-D275 IonicContact CZ-OD2 3.38Å; R252-D275 IonicContact NH1-OD2 3.12Å; R252-D275 PolarHBondContact NH1-OD2 3.14Å; E273-D275 PolarHBondContact OE2-N 3.47Å; D275-S277 PolarHBondContact O-N 2.96Å; D275-S277 WeakPolarHBondContact OD1-CA 3.25Å; D275-S277 VanDerWaalsContact OD1-CB 3.25Å; D275-S277 WeakPolarHBondContact OD1-CB 3.48Å; D275-S277 PolarHBondContact OD1-N 3.25Å; D275-S277 PolarHBondContact OD1-OG 2.86Å; D275-V278 HydrophobicContact CB-CB 4.08Å; D275-V278 HydrophobicContact CB-CG2 4.04Å; D275-V278 PolarHBondContact O-N 3.33Å; D275-V278 PolarHBondContact OD1-N 3.26Å; D275-V278 WeakPolarHBondContact OD2-CG2 3.27Å; D275-L279 WeakPolarHBondContact O-CB 3.47Å; D275-L279 PolarHBondContact O-N 2.87Å
276L88.8Confident92.3Very high8 Ų817.5 Ų17.54%0.0428%0.082CC..Hα-helixtrans-63.5-26.6-178.3-57.8178.2000112.4V109 H274 L279 D280 I309 F312 L313 I523V109-L276 HydrophobicContact CG2-CD2 3.78Å; H274-L276 PolarHBondContact O-N 2.99Å; L276-L279 HydrophobicContact CD2-CD2 4.41Å; L276-D280 WeakPolarHBondContact O-CB 3.39Å; L276-D280 PolarHBondContact O-N 3.42Å; L276-I309 HydrophobicContact CD1-CG2 4.31Å; L276-F312 HydrophobicContact CD2-CD1 4.35Å; L276-F312 HydrophobicContact CD2-CE1 4.48Å; L276-L313 HydrophobicContact CD1-CD1 4.45Å; L276-L313 HydrophobicContact CD1-CD2 3.87Å; L276-L313 HydrophobicContact CD1-CG 4.35Å; L276-I523 HydrophobicContact CB-CD1 3.72Å; L276-I523 HydrophobicContact CD1-CD1 4.12Å; L276-I523 HydrophobicContact CG-CD1 4.32Å
277S88Confident92.5Very high0 Ų011.5 Ų11.50%05%0.05CC..Hα-helixtrans-72.2-44.2179.4-46.40000110.4D275 D280 Y281D275-S277 PolarHBondContact O-N 2.96Å; D275-S277 WeakPolarHBondContact OD1-CA 3.25Å; D275-S277 VanDerWaalsContact OD1-CB 3.25Å; D275-S277 WeakPolarHBondContact OD1-CB 3.48Å; D275-S277 PolarHBondContact OD1-N 3.25Å; D275-S277 PolarHBondContact OD1-OG 2.86Å; S277-D280 PolarHBondContact O-N 3.1Å; S277-Y281 PolarHBondContact O-N 3.47Å
278V90.6Very high92.5Very high5 Ų57.6 Ų7.63%0.034%0.036CC..Hα-helixtrans-68.5-41.3175.81770000110.7R252 A256 E273 D275 D280 Y281 L282R252-V278 HydrophobicContact CB-CG2 3.97Å; R252-V278 HydrophobicContact CG-CG2 4.43Å; A256-V278 HydrophobicContact CB-CG1 4.41Å; E273-V278 HydrophobicContact CG-CG1 4.49Å; D275-V278 HydrophobicContact CB-CB 4.08Å; D275-V278 HydrophobicContact CB-CG2 4.04Å; D275-V278 PolarHBondContact O-N 3.33Å; D275-V278 PolarHBondContact OD1-N 3.26Å; D275-V278 WeakPolarHBondContact OD2-CG2 3.27Å; V278-D280 VanDerWaalsContact C-N 3.32Å; V278-D280 PolarHBondContact O-N 2.97Å; V278-Y281 PolarHBondContact O-N 3.28Å; V278-L282 HydrophobicContact CG1-CD1 3.61Å; V278-L282 HydrophobicContact CG1-CG 4.13Å; V278-L282 WeakPolarHBondContact O-CB 3.28Å; V278-L282 WeakPolarHBondContact O-CG 3.03Å; V278-L282 PolarHBondContact O-N 2.87Å
279L92.1Very high92.4Very high0 Ų07.1 Ų7.10%03%0.034CC..Hα-helixtrans-59.6-40.5176.4-176.672.3000112.2V109 E273 D275 L276 Y281 L282 S283 I286 I309V109-L279 HydrophobicContact CB-CD2 3.74Å; V109-L279 HydrophobicContact CG1-CD2 4.37Å; V109-L279 HydrophobicContact CG2-CD2 4.18Å; E273-L279 HydrophobicContact CB-CB 4.05Å; E273-L279 HydrophobicContact CB-CD1 3.9Å; D275-L279 WeakPolarHBondContact O-CB 3.47Å; D275-L279 PolarHBondContact O-N 2.87Å; L276-L279 HydrophobicContact CD2-CD2 4.41Å; L279-Y281 VanDerWaalsContact C-N 3.33Å; L279-L282 PolarHBondContact O-N 3.34Å; L279-S283 VanDerWaalsContact CD1-OG 3.25Å; L279-S283 WeakPolarHBondContact CD1-OG 3.33Å; L279-S283 VanDerWaalsContact O-CB 3.28Å; L279-S283 WeakPolarHBondContact O-CB 3.12Å; L279-S283 PolarHBondContact O-N 3.45Å; L279-S283 PolarHBondContact O-OG 3.35Å; L279-I286 HydrophobicContact CD2-CD1 3.78Å; L279-I286 HydrophobicContact CD2-CG1 4.45Å; L279-I286 HydrophobicContact CG-CD1 3.81Å; L279-I286 HydrophobicContact CG-CG1 4.4Å; L279-I309 HydrophobicContact CD2-CG1 4.48Å
280D90.6Very high92Very high4 Ų47.3 Ų7.32%0.0214%0.035CC..Hα-helixtrans-63.8-38.7177.2-159.9-34.8000111.8L276 S277 V278 V305 I309 R574 R576L276-D280 WeakPolarHBondContact O-CB 3.39Å; L276-D280 PolarHBondContact O-N 3.42Å; S277-D280 PolarHBondContact O-N 3.1Å; V278-D280 VanDerWaalsContact C-N 3.32Å; V278-D280 PolarHBondContact O-N 2.97Å; D280-V305 HydrophobicContact CB-CG1 4.12Å; D280-V305 WeakPolarHBondContact OD1-CG1 3.39Å; D280-I309 HydrophobicContact CB-CD1 3.83Å; D280-R574 IonicContact OD2-CZ 3.78Å; D280-R574 VanDerWaalsContact OD2-CZ 3.3Å; D280-R574 IonicContact OD2-NH1 3.91Å; D280-R574 PolarHBondContact OD2-NH1 3.35Å; D280-R574 IonicContact OD2-NH2 2.86Å; D280-R574 PolarHBondContact OD2-NH2 3.29Å; D280-R576 VanDerWaalsContact CG-NE 3.33Å; D280-R576 IonicContact OD1-CZ 2.82Å; D280-R576 VanDerWaalsContact OD1-CZ 3.31Å; D280-R576 IonicContact OD1-NE 3.42Å; D280-R576 PolarHBondContact OD1-NE 2.68Å; D280-R576 IonicContact OD1-NH2 3.44Å; D280-R576 PolarHBondContact OD1-NH2 3.28Å; D280-R576 WeakPolarHBondContact OD2-CD 3.5Å; D280-R576 WeakPolarHBondContact OD2-CG 3.47Å; D280-R576 IonicContact OD2-CZ 2.74Å; D280-R576 IonicContact OD2-NE 3.47Å; D280-R576 PolarHBondContact OD2-NE 3.43Å
281Y89.9Confident91.5Very high21 Ų218.3 Ų8.38%0.0825%0.045CC..Hα-helixtrans-72-44.7176.7-175.9-85.2000112.1L253 A256 V257 R260 S277 V278 L279 I577L253-Y281 HydrophobicContact CD2-CG 4.5Å; A256-Y281 HydrophobicContact CB-CD1 3.66Å; A256-Y281 HydrophobicContact CB-CE1 3.98Å; V257-Y281 HydrophobicContact CG2-CE1 4.05Å; V257-Y281 WeakPolarHBondContact CG2-OH 3.22Å; R260-Y281 WeakPolarHBondContact CD-O 3.35Å; R260-Y281 PolarHBondContact NH1-O 2.85Å; S277-Y281 PolarHBondContact O-N 3.47Å; V278-Y281 PolarHBondContact O-N 3.28Å; L279-Y281 VanDerWaalsContact C-N 3.33Å; Y281-I577 HydrophobicContact CD2-CG2 3.84Å
282L91.9Very high90.9Very high1 Ų111.3 Ų11.31%0.0056%0.063CC..Hα-helixtrans-68.2-47.8-175-85.8176.3000113V105 P243 A256 I259 R260 V271 E273 V278 L279V105-L282 VanDerWaalsContact CB-O 3.32Å; V105-L282 WeakPolarHBondContact CB-O 3.44Å; V105-L282 WeakPolarHBondContact CG1-O 3.29Å; P243-L282 HydrophobicContact CG-CD1 4.47Å; A256-L282 VanDerWaalsContact CA-CD2 3.44Å; A256-L282 HydrophobicContact CB-CD1 4.34Å; A256-L282 HydrophobicContact CB-CD2 3.6Å; A256-L282 HydrophobicContact CB-CG 3.73Å; A256-L282 WeakPolarHBondContact O-CD2 3.43Å; I259-L282 HydrophobicContact CB-CD2 3.97Å; I259-L282 HydrophobicContact CD1-CD2 4.46Å; I259-L282 HydrophobicContact CG2-CD2 3.99Å; R260-L282 HydrophobicContact CG-CD2 4.16Å; R260-L282 PolarHBondContact NH1-O 2.87Å; V271-L282 HydrophobicContact CG1-CD1 3.78Å; E273-L282 HydrophobicContact CG-CD1 4.32Å; V278-L282 HydrophobicContact CG1-CD1 3.61Å; V278-L282 HydrophobicContact CG1-CG 4.13Å; V278-L282 WeakPolarHBondContact O-CB 3.28Å; V278-L282 WeakPolarHBondContact O-CG 3.03Å; V278-L282 PolarHBondContact O-N 2.87Å; L279-L282 PolarHBondContact O-N 3.34Å
283S93.8Very high90.3Very high0 Ų014.6 Ų14.60%08%0.084CC..  trans-86.5156-163.7-42.70000111.8G107 L279 V305G107-S283 VanDerWaalsContact CA-OG 3.31Å; G107-S283 WeakPolarHBondContact CA-OG 3.27Å; L279-S283 VanDerWaalsContact CD1-OG 3.25Å; L279-S283 WeakPolarHBondContact CD1-OG 3.33Å; L279-S283 VanDerWaalsContact O-CB 3.28Å; L279-S283 WeakPolarHBondContact O-CB 3.12Å; L279-S283 PolarHBondContact O-N 3.45Å; L279-S283 PolarHBondContact O-OG 3.35Å; S283-V305 VanDerWaalsContact O-CG2 3.22Å; S283-V305 WeakPolarHBondContact O-CG2 3.21Å
284D93.6Very high89.8Confident39 Ų3918.6 Ų18.621%0.20911%0.112CC..SBendtrans-110-30.6166-55.7-55.6000110.4E104 V105 R260 V305 K579E104-D284 HydrophobicContact CB-CB 4.5Å; V105-D284 PolarHBondContact N-OD2 3.46Å; V105-D284 VanDerWaalsContact N-OD2 3.14Å; V105-D284 PolarHBondContact O-N 3.26Å; R260-D284 IonicContact CZ-OD1 3.82Å; R260-D284 IonicContact NH1-OD1 2.75Å; R260-D284 PolarHBondContact NH1-OD1 2.84Å; R260-D284 VanDerWaalsContact NH1-OD1 3.09Å; R260-D284 IonicContact NH2-OD1 2.94Å; R260-D284 PolarHBondContact NH2-OD1 2.7Å; R260-D284 IonicContact NH2-OD2 3.66Å; R260-D284 PolarHBondContact NH2-OD2 3.42Å; D284-V305 VanDerWaalsContact C-CG2 3.49Å; D284-V305 VanDerWaalsContact O-CG2 3.23Å; D284-V305 WeakPolarHBondContact O-CG2 3.48Å; D284-K579 IonicContact OD1-NZ 3.52Å; D284-K579 PolarHBondContact OD1-NZ 3.34Å
285F95.3Very high89.5Confident57 Ų5718.4 Ų18.425%0.2511%0.112CC..EExtended strand (participates in β ladder)trans-128.7151.8168.3-70-85.2000111.1E104 V105 L106 G107 P302 F303E104-F285 VanDerWaalsContact CD-CE2 3.48Å; E104-F285 WeakPolarHBondContact OE1-CE2 3.32Å; E104-F285 VanDerWaalsContact OE2-CD2 3.3Å; E104-F285 WeakPolarHBondContact OE2-CD2 3.41Å; E104-F285 WeakPolarHBondContact OE2-CE2 3.42Å; V105-F285 PolarHBondContact O-N 2.88Å; L106-F285 HydrophobicContact CD1-CB 4.04Å; G107-F285 PolarHBondContact N-O 2.97Å; F285-P302 HydrophobicContact CB-CB 4.29Å; F285-P302 HydrophobicContact CD1-CB 4.45Å; F285-F303 CarbonylContact C-O 3.39Å; F285-F303 WeakPolarHBondContact CA-O 3.31Å
286I94.9Very high89.4Confident0 Ų019.7 Ų19.70%012%0.117CC..EExtended strand (participates in β ladder)trans-127.5130.9178-67.2177000110.2G107 V109 L279 F303 V305 I309G107-I286 CarbonylContact O-C 3.57Å; G107-I286 WeakPolarHBondContact O-CA 3.22Å; V109-I286 HydrophobicContact CG1-CG2 3.77Å; L279-I286 HydrophobicContact CD2-CD1 3.78Å; L279-I286 HydrophobicContact CD2-CG1 4.45Å; L279-I286 HydrophobicContact CG-CD1 3.81Å; L279-I286 HydrophobicContact CG-CG1 4.4Å; I286-F303 PolarHBondContact N-O 3.49Å; I286-F303 PolarHBondContact O-N 3.47Å; I286-V305 HydrophobicContact CD1-CB 4.25Å; I286-V305 HydrophobicContact CD1-CG1 3.73Å; I286-I309 HydrophobicContact CD1-CD1 3.69Å; I286-I309 HydrophobicContact CD1-CG1 3.5Å; I286-I309 VanDerWaalsContact CD1-CG1 3.5Å
287C94.8Very high89.5Confident0 Ų019.3 Ų19.30%012%0.115CC..EExtended strand (participates in β ladder)trans-103125.8165.1-81.50000108.9P98 G107 L108 V109 V299 T300P98-C287 HydrophobicContact CB-CB 4.16Å; G107-C287 PolarHBondContact O-N 2.86Å; L108-C287 HydrophobicContact CD2-CB 3.62Å; V109-C287 PolarHBondContact N-O 3Å; V109-C287 VanDerWaalsContact N-O 3.15Å; C287-V299 HydrophobicContact CB-CG1 3.98Å; C287-T300 PolarHBondContact SG-O 2.97Å; C287-T300 VanDerWaalsContact SG-O 3.38Å
288C92.4Very high89.6Confident0 Ų019.3 Ų19.30%012%0.115CC..EExtended strand (participates in β ladder)trans-91.5136.5174.5-61.20000109.2V109 T300 G308V109-C288 HydrophobicContact CG1-CB 4.24Å; V109-C288 CarbonylContact O-C 3.51Å; V109-C288 WeakPolarHBondContact O-CA 3.4Å; C288-T300 HydrophobicContact CB-CG2 4.03Å; C288-T300 PolarHBondContact N-OG1 3.29Å; C288-T300 WeakPolarHBondContact O-CG2 3.36Å; C288-T300 PolarHBondContact O-N 2.9Å; C288-T300 PolarHBondContact O-OG1 2.86Å; C288-G308 PolarHBondContact SG-O 3.5Å
289L91.9Very high89.7Confident3 Ų319.1 Ų19.12%0.01611%0.114CC..EExtended strand (participates in β ladder)trans-107.5122.4171.3-71.383.3000109.1L108 V109 G110 I114 K116 V298 V299L108-L289 HydrophobicContact CB-CD1 4.38Å; L108-L289 HydrophobicContact CD2-CD1 4.05Å; V109-L289 PolarHBondContact O-N 3.26Å; G110-L289 WeakPolarHBondContact CA-O 3.44Å; I114-L289 HydrophobicContact CG1-CB 4.25Å; I114-L289 HydrophobicContact CG2-CB 3.53Å; I114-L289 HydrophobicContact CG2-CD2 4.04Å; I114-L289 HydrophobicContact CG2-CG 4.43Å; K116-L289 HydrophobicContact CB-CD2 4.5Å; K116-L289 HydrophobicContact CG-CD1 4.18Å; K116-L289 HydrophobicContact CG-CD2 3.77Å; K116-L289 HydrophobicContact CG-CG 4.4Å; L289-V298 WeakPolarHBondContact CA-O 3.4Å; L289-V299 HydrophobicContact CD1-CG1 4.4Å; L289-V299 HydrophobicContact CD2-CG2 4.01Å; L289-V299 HydrophobicContact CG-CG1 4.42Å; L289-V299 HydrophobicContact CG-CG2 4.03Å
290Y88.9Confident89.7Confident6 Ų619.3 Ų19.32%0.02412%0.115CC..EExtended strand (participates in β ladder)trans-126.7164.6179.269.9-96.6000111.4G297 V298 T300 V317 E320 L322 F324Y290-G297 WeakPolarHBondContact O-CA 3.48Å; Y290-V298 HydrophobicContact CD1-CB 4.47Å; Y290-V298 HydrophobicContact CD2-CB 4.32Å; Y290-V298 HydrophobicContact CE1-CB 4.02Å; Y290-V298 HydrophobicContact CE1-CG1 4.08Å; Y290-V298 HydrophobicContact CE2-CB 3.82Å; Y290-V298 HydrophobicContact CE2-CG1 4.37Å; Y290-V298 HydrophobicContact CE2-CG2 3.96Å; Y290-V298 PolarHBondContact N-O 3.06Å; Y290-V298 VanDerWaalsContact N-O 3.09Å; Y290-V298 PolarHBondContact O-N 2.77Å; Y290-T300 HydrophobicContact CD1-CG2 3.77Å; Y290-T300 HydrophobicContact CE1-CG2 3.68Å; Y290-V317 HydrophobicContact CD1-CG2 4.38Å; Y290-V317 HydrophobicContact CE1-CG2 4.26Å; Y290-E320 PolarHBondContact OH-OE2 3.48Å; Y290-L322 HydrophobicContact CD2-CD2 4.02Å; Y290-L322 HydrophobicContact CE2-CD1 4.2Å; Y290-L322 HydrophobicContact CE2-CD2 3.48Å; Y290-L322 VanDerWaalsContact CE2-CD2 3.48Å; Y290-F324 HydrophobicContact CD1-CD1 4.28Å; Y290-F324 HydrophobicContact CD2-CB 3.76Å; Y290-F324 HydrophobicContact CD2-CD1 4.41Å; Y290-F324 HydrophobicContact CD2-CG 4.22Å; Y290-F324 HydrophobicContact CG-CB 4.02Å; Y290-F324 AromaticContact CG-CD1 3.93Å; Y290-F324 HydrophobicContact CG-CD1 3.93Å; Y290-F324 AromaticContact CG-CG 3.95Å; Y290-F324 HydrophobicContact CG-CG 3.95Å
291G85.6Confident89.7Confident21 Ų2123.9 Ų23.922%0.21614%0.138CC..EExtended strand (participates in β ladder)trans134.8-159.4-179.400000110.9
292V82.5Confident89.8Confident62 Ų6224.2 Ų24.238%0.37614%0.142SC..EExtended strand (participates in β ladder)trans-103.2124.8-177.7177.60000108.9S294 A295 Y296V292-S294 PolarHBondContact O-N 3.4Å; V292-A295 HydrophobicContact CB-CB 3.68Å; V292-A295 HydrophobicContact CG1-CB 3.65Å; V292-A295 VanDerWaalsContact O-CB 3.31Å; V292-A295 WeakPolarHBondContact O-CB 3.28Å; V292-A295 PolarHBondContact O-N 2.95Å; V292-Y296 HydrophobicContact CB-CD1 4.22Å; V292-Y296 HydrophobicContact CB-CE1 3.89Å; V292-Y296 HydrophobicContact CG2-CE1 3.75Å; V292-Y296 PolarHBondContact N-O 2.89Å; V292-Y296 PolarHBondContact O-N 3.07Å; V292-Y296 VanDerWaalsContact O-N 3.13Å; V292-Y296 VanDerWaalsContact O-O 3.07Å
293P82.3Confident89.9Confident69 Ų6924.9 Ų24.945%0.44815%0.145SC..THydrogen-bonded Turntrans-50134.6177.9-3237.7000113N112 A295N112-P293 WeakPolarHBondContact O-CB 3.2Å; P293-A295 PolarHBondContact O-N 3.31Å
294S80.6Confident89.8Confident85 Ų8526.3 Ų26.359%0.59416%0.16SC*.THydrogen-bonded Turntrans62.60-177.4-49.20000115.8G113 V292G113-S294 PolarHBondContact O-N 3.37Å; V292-S294 PolarHBondContact O-N 3.4Å
295A82.6Confident89.7Confident4 Ų425.2 Ų25.23%0.03316%0.155CC..THydrogen-bonded Turntrans-106.4-62.2-176.400000111.7I10 F92 K93 V292 P293I10-A295 HydrophobicContact CD1-CB 3.21Å; I10-A295 HydrophobicContact CG1-CB 4.02Å; F92-A295 WeakPolarHBondContact CA-O 3.4Å; K93-A295 PolarHBondContact N-O 2.9Å; V292-A295 HydrophobicContact CB-CB 3.68Å; V292-A295 HydrophobicContact CG1-CB 3.65Å; V292-A295 VanDerWaalsContact O-CB 3.31Å; V292-A295 WeakPolarHBondContact O-CB 3.28Å; V292-A295 PolarHBondContact O-N 2.95Å; P293-A295 PolarHBondContact O-N 3.31Å
296Y87.3Confident89.5Confident29 Ų2927.1 Ų27.111%0.11416%0.16CC..EExtended strand (participates in β ladder)trans-158.3154.4173.173.8-75.3000110I8 V73 L75 K93 I114 V292 V298I8-Y296 HydrophobicContact CD1-CG 4.38Å; V73-Y296 HydrophobicContact CB-CE1 4.49Å; V73-Y296 HydrophobicContact CG1-CD1 4.42Å; V73-Y296 HydrophobicContact CG1-CE1 3.74Å; L75-Y296 HydrophobicContact CD2-CD1 4.18Å; L75-Y296 HydrophobicContact CD2-CD2 3.65Å; L75-Y296 HydrophobicContact CD2-CE1 3.95Å; L75-Y296 HydrophobicContact CD2-CE2 3.35Å; L75-Y296 HydrophobicContact CD2-CG 4.05Å; K93-Y296 CarbonylContact O-C 3.55Å; K93-Y296 WeakPolarHBondContact O-CA 3.47Å; I114-Y296 WeakPolarHBondContact CD1-O 3.3Å; V292-Y296 HydrophobicContact CB-CD1 4.22Å; V292-Y296 HydrophobicContact CB-CE1 3.89Å; V292-Y296 HydrophobicContact CG2-CE1 3.75Å; V292-Y296 PolarHBondContact N-O 2.89Å; V292-Y296 PolarHBondContact O-N 3.07Å; V292-Y296 VanDerWaalsContact O-N 3.13Å; V292-Y296 VanDerWaalsContact O-O 3.07Å; Y296-V298 HydrophobicContact CD2-CG2 3.89Å; Y296-V298 HydrophobicContact CE2-CG2 3.83Å
297G90.4Very high89.2Confident0 Ų032.2 Ų32.20%018%0.184CC..EExtended strand (participates in β ladder)trans-131.7140.3172.300000111.1K93 H95 I114 Y290K93-G297 PolarHBondContact O-N 3.17Å; H95-G297 PolarHBondContact N-O 3.15Å; I114-G297 WeakPolarHBondContact O-CA 3.43Å; Y290-G297 WeakPolarHBondContact O-CA 3.48Å
298V90.7Very high89Confident0 Ų032.2 Ų32.20%018%0.184CC..EExtended strand (participates in β ladder)trans-118.1131.1174.5-171.90000108.2L79 H95 L289 Y290 Y296L79-V298 HydrophobicContact CD1-CG2 3.87Å; L79-V298 HydrophobicContact CD2-CG1 3.73Å; L79-V298 HydrophobicContact CD2-CG2 3.9Å; H95-V298 HydrophobicContact CB-CB 4.41Å; H95-V298 HydrophobicContact CB-CG1 4.32Å; H95-V298 HydrophobicContact CB-CG2 4.07Å; L289-V298 WeakPolarHBondContact CA-O 3.4Å; Y290-V298 HydrophobicContact CD1-CB 4.47Å; Y290-V298 HydrophobicContact CD2-CB 4.32Å; Y290-V298 HydrophobicContact CE1-CB 4.02Å; Y290-V298 HydrophobicContact CE1-CG1 4.08Å; Y290-V298 HydrophobicContact CE2-CB 3.82Å; Y290-V298 HydrophobicContact CE2-CG1 4.37Å; Y290-V298 HydrophobicContact CE2-CG2 3.96Å; Y290-V298 PolarHBondContact N-O 3.06Å; Y290-V298 VanDerWaalsContact N-O 3.09Å; Y290-V298 PolarHBondContact O-N 2.77Å; Y296-V298 HydrophobicContact CD2-CG2 3.89Å; Y296-V298 HydrophobicContact CE2-CG2 3.83Å
299V92.8Very high88.9Confident1 Ų132.2 Ų32.21%0.00618%0.184CC..EExtended strand (participates in β ladder)trans-91.3126.6174-167.60000109.4L94 H95 R96 P98 C287 L289L94-V299 HydrophobicContact CD1-CG2 4.36Å; H95-V299 PolarHBondContact O-N 3.23Å; H95-V299 VanDerWaalsContact O-N 3.1Å; R96-V299 HydrophobicContact CB-CB 4.16Å; R96-V299 WeakPolarHBondContact CD-O 3.46Å; P98-V299 HydrophobicContact CB-CG1 3.9Å; C287-V299 HydrophobicContact CB-CG1 3.98Å; L289-V299 HydrophobicContact CD1-CG1 4.4Å; L289-V299 HydrophobicContact CD2-CG2 4.01Å; L289-V299 HydrophobicContact CG-CG1 4.42Å; L289-V299 HydrophobicContact CG-CG2 4.03Å
300T91.1Very high88.8Confident4 Ų432.7 Ų32.73%0.02519%0.187CC..PPolyproline II helixtrans-71.6163.3173.266.30000111.6C287 C288 Y290 F303 V317C287-T300 PolarHBondContact SG-O 2.97Å; C287-T300 VanDerWaalsContact SG-O 3.38Å; C288-T300 HydrophobicContact CB-CG2 4.03Å; C288-T300 PolarHBondContact N-OG1 3.29Å; C288-T300 WeakPolarHBondContact O-CG2 3.36Å; C288-T300 PolarHBondContact O-N 2.9Å; C288-T300 PolarHBondContact O-OG1 2.86Å; Y290-T300 HydrophobicContact CD1-CG2 3.77Å; Y290-T300 HydrophobicContact CE1-CG2 3.68Å; T300-F303 HydrophobicContact CG2-CE2 4.28Å; T300-V317 HydrophobicContact CG2-CG1 4.38Å; T300-V317 HydrophobicContact CG2-CG2 4.02Å
301M89.6Confident88.8Confident100 Ų10032.8 Ų32.849%0.49319%0.187SC..PPolyproline II helixtrans-57153.3161.2-62.7-58.2-74.100110.7I99 F303I99-M301 HydrophobicContact CD1-CE 4.19Å; I99-M301 HydrophobicContact CD1-SD 4.49Å; M301-F303 WeakPolarHBondContact O-CD2 3.44Å; M301-F303 VanDerWaalsContact O-CE2 3.3Å; M301-F303 WeakPolarHBondContact O-CE2 3.43Å; M301-F303 PolarHBondContact O-N 3.38Å
302P92.6Very high88.9Confident28 Ų2831.9 Ų31.918%0.18218%0.177CC..PPolyproline II helixtrans-67.1130.2177.426.4-33.3000110.6F285F285-P302 HydrophobicContact CB-CB 4.29Å; F285-P302 HydrophobicContact CD1-CB 4.45Å
303F93.6Very high89.1Confident15 Ų1529 Ų297%0.06616%0.16CC..EExtended strand (participates in β ladder)trans-111.2158.4174-64.1-77.5000110.5F285 I286 T300 M301 E307 I311 V317 T319F285-F303 CarbonylContact C-O 3.39Å; F285-F303 WeakPolarHBondContact CA-O 3.31Å; I286-F303 PolarHBondContact N-O 3.49Å; I286-F303 PolarHBondContact O-N 3.47Å; T300-F303 HydrophobicContact CG2-CE2 4.28Å; M301-F303 WeakPolarHBondContact O-CD2 3.44Å; M301-F303 VanDerWaalsContact O-CE2 3.3Å; M301-F303 WeakPolarHBondContact O-CE2 3.43Å; M301-F303 PolarHBondContact O-N 3.38Å; F303-E307 HydrophobicContact CD1-CG 4.42Å; F303-I311 HydrophobicContact CD1-CD1 3.82Å; F303-I311 HydrophobicContact CD2-CD1 4.02Å; F303-I311 HydrophobicContact CE1-CD1 3.76Å; F303-I311 HydrophobicContact CE2-CD1 3.93Å; F303-I311 HydrophobicContact CG-CD1 3.97Å; F303-I311 HydrophobicContact CZ-CD1 3.82Å; F303-V317 HydrophobicContact CE2-CG1 4.45Å; F303-V317 HydrophobicContact CZ-CG1 4.1Å; F303-T319 HydrophobicContact CE1-CG2 3.89Å; F303-T319 HydrophobicContact CZ-CG2 4.23Å
304G93.2Very high89.3Confident30 Ų3029.5 Ų29.531%0.30916%0.159SC..EExtended strand (participates in β ladder)trans-60145.8166.800000110.5R306 E307 G308G304-R306 VanDerWaalsContact C-N 3.31Å; G304-R306 PolarHBondContact O-N 3.02Å; G304-R306 VanDerWaalsContact O-N 3.11Å; G304-E307 PolarHBondContact O-N 3.47Å; G304-G308 PolarHBondContact O-N 3.43Å
305V91.5Very high89.5Confident16 Ų1625.4 Ų25.410%0.09713%0.13CC..Hα-helixtrans-45.2-50.7-171.9-177.10000114D280 S283 D284 I286 I309D280-V305 HydrophobicContact CB-CG1 4.12Å; D280-V305 WeakPolarHBondContact OD1-CG1 3.39Å; S283-V305 VanDerWaalsContact O-CG2 3.22Å; S283-V305 WeakPolarHBondContact O-CG2 3.21Å; D284-V305 VanDerWaalsContact C-CG2 3.49Å; D284-V305 VanDerWaalsContact O-CG2 3.23Å; D284-V305 WeakPolarHBondContact O-CG2 3.48Å; I286-V305 HydrophobicContact CD1-CB 4.25Å; I286-V305 HydrophobicContact CD1-CG1 3.73Å; V305-I309 HydrophobicContact CG1-CD1 4.02Å; V305-I309 WeakPolarHBondContact O-CG1 3.49Å; V305-I309 PolarHBondContact O-N 3.07Å; V305-I309 VanDerWaalsContact O-N 3.14Å
306R89.6Confident89.6Confident97 Ų9728.9 Ų28.937%0.36614%0.143SC..Hα-helixtrans-62.4-47.6-178-177.3-174.4-178.8-155.8-11.9111.4G304 N310 D569 N571G304-R306 VanDerWaalsContact C-N 3.31Å; G304-R306 PolarHBondContact O-N 3.02Å; G304-R306 VanDerWaalsContact O-N 3.11Å; R306-N310 WeakPolarHBondContact O-CB 3.49Å; R306-N310 PolarHBondContact O-N 3.42Å; R306-N310 VanDerWaalsContact O-N 3.13Å; R306-N310 PolarHBondContact O-OD1 3.02Å; R306-D569 WeakPolarHBondContact CG-OD2 2.99Å; R306-D569 IonicContact CZ-OD1 3.35Å; R306-D569 IonicContact CZ-OD2 3.45Å; R306-D569 IonicContact NE-OD1 2.67Å; R306-D569 IonicContact NE-OD2 2.79Å; R306-D569 PolarHBondContact NE-OD2 3.47Å; R306-D569 IonicContact NH2-OD1 2.73Å; R306-D569 PolarHBondContact NH2-OD1 3.34Å; R306-D569 IonicContact NH2-OD2 3.01Å; R306-D569 PolarHBondContact NH2-OD2 2.87Å; R306-N571 PolarHBondContact NH2-OD1 3.02Å
307E90.1Very high89.5Confident107 Ų10727.5 Ų27.550%0.514%0.137SC..Hα-helixtrans-67.8-45.9-177.5-174176.9-169.100111F303 G304 I309 N310 I311F303-E307 HydrophobicContact CD1-CG 4.42Å; G304-E307 PolarHBondContact O-N 3.47Å; E307-I309 PolarHBondContact O-N 3.2Å; E307-N310 PolarHBondContact O-N 3.14Å; E307-I311 HydrophobicContact CG-CD1 3.85Å; E307-I311 HydrophobicContact CG-CG1 4.41Å; E307-I311 WeakPolarHBondContact O-CB 3.21Å; E307-I311 VanDerWaalsContact O-CG1 3.31Å; E307-I311 WeakPolarHBondContact O-CG1 3.26Å; E307-I311 PolarHBondContact O-N 3.28Å
308G90.7Very high88.9Confident0 Ų030.8 Ų30.80%016%0.159CC..Hα-helixtrans-59.1-46178.600000112.9C288 G304 N310 I311 F312C288-G308 PolarHBondContact SG-O 3.5Å; G304-G308 PolarHBondContact O-N 3.43Å; G308-N310 VanDerWaalsContact C-N 3.35Å; G308-N310 PolarHBondContact O-N 3Å; G308-I311 PolarHBondContact O-N 3.2Å; G308-F312 WeakPolarHBondContact O-CB 3.16Å; G308-F312 PolarHBondContact O-N 2.95Å
309I90.1Very high88.4Confident0 Ų035.3 Ų35.30%019%0.187CC..Hα-helixtrans-65.8-39.8177.2-64.8168.1000111L276 L279 D280 I286 V305 E307 F312 L313 R574L276-I309 HydrophobicContact CD1-CG2 4.31Å; L279-I309 HydrophobicContact CD2-CG1 4.48Å; D280-I309 HydrophobicContact CB-CD1 3.83Å; I286-I309 HydrophobicContact CD1-CD1 3.69Å; I286-I309 HydrophobicContact CD1-CG1 3.5Å; I286-I309 VanDerWaalsContact CD1-CG1 3.5Å; V305-I309 HydrophobicContact CG1-CD1 4.02Å; V305-I309 WeakPolarHBondContact O-CG1 3.49Å; V305-I309 PolarHBondContact O-N 3.07Å; V305-I309 VanDerWaalsContact O-N 3.14Å; E307-I309 PolarHBondContact O-N 3.2Å; I309-F312 WeakPolarHBondContact O-CB 3.12Å; I309-F312 PolarHBondContact O-N 3.05Å; I309-L313 HydrophobicContact CG2-CD1 3.78Å; I309-L313 HydrophobicContact CG2-CG 4.31Å; I309-L313 VanDerWaalsContact O-CG 3.29Å; I309-L313 WeakPolarHBondContact O-CG 3.45Å; I309-L313 PolarHBondContact O-N 3.41Å; I309-R574 VanDerWaalsContact CG2-CZ 3.46Å
310N88.6Confident87.6Confident13 Ų1337.8 Ų37.87%0.0720%0.198CC..Hα-helixtrans-66.6-43178.5-70.7-2.2000111.3R306 E307 G308 F312 L313 D314 D569 N572 R574R306-N310 WeakPolarHBondContact O-CB 3.49Å; R306-N310 PolarHBondContact O-N 3.42Å; R306-N310 VanDerWaalsContact O-N 3.13Å; R306-N310 PolarHBondContact O-OD1 3.02Å; E307-N310 PolarHBondContact O-N 3.14Å; G308-N310 VanDerWaalsContact C-N 3.35Å; G308-N310 PolarHBondContact O-N 3Å; N310-F312 VanDerWaalsContact C-N 3.28Å; N310-F312 PolarHBondContact O-N 3.44Å; N310-L313 CarbonylContact O-C 3.55Å; N310-L313 PolarHBondContact O-N 2.75Å; N310-L313 VanDerWaalsContact O-N 3.1Å; N310-D314 WeakPolarHBondContact O-CB 3.49Å; N310-D314 VanDerWaalsContact O-CG 3.23Å; N310-D314 PolarHBondContact O-N 3.26Å; N310-D569 PolarHBondContact ND2-OD1 3.09Å; N310-N572 PolarHBondContact OD1-ND2 3.47Å; N310-R574 PolarHBondContact OD1-NE 2.84Å
311I89Confident86.8Confident7 Ų743.5 Ų43.54%0.03623%0.229CC..Hα-helixtrans-55.2-44.7171.5-74.7171.3000111F303 E307 G308 L313 D314 G315 Y316 V317F303-I311 HydrophobicContact CD1-CD1 3.82Å; F303-I311 HydrophobicContact CD2-CD1 4.02Å; F303-I311 HydrophobicContact CE1-CD1 3.76Å; F303-I311 HydrophobicContact CE2-CD1 3.93Å; F303-I311 HydrophobicContact CG-CD1 3.97Å; F303-I311 HydrophobicContact CZ-CD1 3.82Å; E307-I311 HydrophobicContact CG-CD1 3.85Å; E307-I311 HydrophobicContact CG-CG1 4.41Å; E307-I311 WeakPolarHBondContact O-CB 3.21Å; E307-I311 VanDerWaalsContact O-CG1 3.31Å; E307-I311 WeakPolarHBondContact O-CG1 3.26Å; E307-I311 PolarHBondContact O-N 3.28Å; G308-I311 PolarHBondContact O-N 3.2Å; I311-L313 VanDerWaalsContact C-N 3.34Å; I311-L313 PolarHBondContact O-N 3.48Å; I311-D314 PolarHBondContact O-N 2.89Å; I311-G315 PolarHBondContact O-N 3.02Å; I311-Y316 WeakPolarHBondContact CG2-O 3.34Å; I311-V317 HydrophobicContact CG2-CB 4.45Å; I311-V317 HydrophobicContact CG2-CG2 3.9Å
312F89.1Confident86.2Confident3 Ų340.4 Ų40.41%0.01321%0.214CC..Hα-helixtrans-62.2-40.1177.3-178.9-101.2000112.7V109 L276 G308 I309 N310 R325 S494V109-F312 HydrophobicContact CG1-CB 4.36Å; V109-F312 HydrophobicContact CG1-CD2 4.09Å; V109-F312 HydrophobicContact CG1-CG 4.13Å; V109-F312 HydrophobicContact CG2-CD1 4.09Å; V109-F312 HydrophobicContact CG2-CD2 4.27Å; V109-F312 HydrophobicContact CG2-CE1 4.02Å; V109-F312 HydrophobicContact CG2-CE2 4.2Å; V109-F312 HydrophobicContact CG2-CG 4.22Å; V109-F312 HydrophobicContact CG2-CZ 4.08Å; L276-F312 HydrophobicContact CD2-CD1 4.35Å; L276-F312 HydrophobicContact CD2-CE1 4.48Å; G308-F312 WeakPolarHBondContact O-CB 3.16Å; G308-F312 PolarHBondContact O-N 2.95Å; I309-F312 WeakPolarHBondContact O-CB 3.12Å; I309-F312 PolarHBondContact O-N 3.05Å; N310-F312 VanDerWaalsContact C-N 3.28Å; N310-F312 PolarHBondContact O-N 3.44Å; F312-R325 PolarHBondContact O-NH2 3.34Å; F312-S494 WeakPolarHBondContact CE1-OG 3.29Å; F312-S494 VanDerWaalsContact CZ-OG 3.24Å; F312-S494 WeakPolarHBondContact CZ-OG 3.31Å
313L86.7Confident85.6Confident2 Ų247.3 Ų47.31%0.0124%0.236CC..Hα-helixtrans-79-27.7179-69.2169000113.7L276 I309 N310 I311 R325 L329 F331 N572L276-L313 HydrophobicContact CD1-CD1 4.45Å; L276-L313 HydrophobicContact CD1-CD2 3.87Å; L276-L313 HydrophobicContact CD1-CG 4.35Å; I309-L313 HydrophobicContact CG2-CD1 3.78Å; I309-L313 HydrophobicContact CG2-CG 4.31Å; I309-L313 VanDerWaalsContact O-CG 3.29Å; I309-L313 WeakPolarHBondContact O-CG 3.45Å; I309-L313 PolarHBondContact O-N 3.41Å; N310-L313 CarbonylContact O-C 3.55Å; N310-L313 PolarHBondContact O-N 2.75Å; N310-L313 VanDerWaalsContact O-N 3.1Å; I311-L313 VanDerWaalsContact C-N 3.34Å; I311-L313 PolarHBondContact O-N 3.48Å; L313-R325 PolarHBondContact O-NH2 3.45Å; L313-L329 HydrophobicContact CB-CB 4.39Å; L313-L329 HydrophobicContact CD2-CB 3.89Å; L313-L329 HydrophobicContact CD2-CD1 4.1Å; L313-L329 WeakPolarHBondContact O-CB 3.33Å; L313-L329 PolarHBondContact O-N 3.32Å; L313-F331 HydrophobicContact CD1-CE2 3.77Å; L313-F331 HydrophobicContact CD2-CE2 3.84Å; L313-F331 HydrophobicContact CD2-CZ 3.94Å; L313-F331 HydrophobicContact CG-CE2 4.42Å; L313-N572 WeakPolarHBondContact CD1-ND2 3.4Å
314D85.3Confident84.9Confident78 Ų7849.3 Ų49.342%0.41725%0.245SC..Hα-helixtrans-79.7-27.9175.4-69-21.4000111.1N310 I311 Y316N310-D314 WeakPolarHBondContact O-CB 3.49Å; N310-D314 VanDerWaalsContact O-CG 3.23Å; N310-D314 PolarHBondContact O-N 3.26Å; I311-D314 PolarHBondContact O-N 2.89Å; D314-Y316 VanDerWaalsContact C-N 3.31Å
315G84.7Confident84.3Confident0 Ų049.1 Ų49.10%024%0.235CC..THydrogen-bonded Turntrans79.417.3-179.200000113.4I311 R323 F324 R325I311-G315 PolarHBondContact O-N 3.02Å; G315-R323 CarbonylContact O-C 3.54Å; G315-R323 WeakPolarHBondContact O-CA 3.31Å; G315-F324 WeakPolarHBondContact O-CD1 3.3Å; G315-F324 PolarHBondContact O-N 3.13Å; G315-R325 PolarHBondContact O-N 3.45Å; G315-R325 VanDerWaalsContact O-N 3.12Å
316Y84.8Confident83.4Confident76 Ų7656.8 Ų56.830%0.29827%0.27SS..EExtended strand (participates in β ladder)trans-137.4126.5-174.7175.2-107.4000110.4I311 D314 P318 N321 L322 R323I311-Y316 WeakPolarHBondContact CG2-O 3.34Å; D314-Y316 VanDerWaalsContact C-N 3.31Å; Y316-P318 HydrophobicContact CD1-CG 4.11Å; Y316-P318 HydrophobicContact CE1-CB 4.05Å; Y316-P318 HydrophobicContact CE1-CG 4.04Å; Y316-P318 WeakPolarHBondContact O-CD 3.36Å; Y316-N321 PolarHBondContact OH-OD1 3.05Å; Y316-L322 WeakPolarHBondContact CA-O 3.25Å; Y316-L322 WeakPolarHBondContact CD2-O 3.22Å; Y316-R323 HydrophobicContact CD2-CB 3.9Å
317V84.6Confident82.8Confident0 Ų057.9 Ų57.90%028%0.282CS..EExtended strand (participates in β ladder)trans-99106.4176.8-1750000108.3Y290 T300 F303 I311 T319 E320 N321 L322 F324Y290-V317 HydrophobicContact CD1-CG2 4.38Å; Y290-V317 HydrophobicContact CE1-CG2 4.26Å; T300-V317 HydrophobicContact CG2-CG1 4.38Å; T300-V317 HydrophobicContact CG2-CG2 4.02Å; F303-V317 HydrophobicContact CE2-CG1 4.45Å; F303-V317 HydrophobicContact CZ-CG1 4.1Å; I311-V317 HydrophobicContact CG2-CB 4.45Å; I311-V317 HydrophobicContact CG2-CG2 3.9Å; V317-T319 WeakPolarHBondContact CG1-OG1 3.1Å; V317-T319 PolarHBondContact O-N 3.04Å; V317-E320 HydrophobicContact CB-CB 4.42Å; V317-E320 HydrophobicContact CG1-CB 4.11Å; V317-E320 HydrophobicContact CG1-CG 4.1Å; V317-E320 PolarHBondContact O-N 3.29Å; V317-N321 PolarHBondContact O-N 3.42Å; V317-N321 VanDerWaalsContact O-N 3.1Å; V317-L322 PolarHBondContact N-O 3.17Å; V317-L322 PolarHBondContact O-N 3.46Å; V317-L322 VanDerWaalsContact O-N 3.15Å; V317-F324 HydrophobicContact CG2-CD1 3.95Å; V317-F324 HydrophobicContact CG2-CE1 3.82Å
318P79.8Confident82.2Confident70 Ų7055.4 Ų55.446%0.45528%0.276SS..G310 helixtrans-64-39.7-174.4-22.733.8000113.2Y316 E320 N321Y316-P318 HydrophobicContact CD1-CG 4.11Å; Y316-P318 HydrophobicContact CE1-CB 4.05Å; Y316-P318 HydrophobicContact CE1-CG 4.04Å; Y316-P318 WeakPolarHBondContact O-CD 3.36Å; P318-E320 PolarHBondContact O-N 3.43Å; P318-N321 PolarHBondContact O-N 3.22Å; P318-N321 VanDerWaalsContact O-N 3.11Å
319T80.1Confident81.4Confident95 Ų9555.8 Ų55.858%0.58328%0.278SS*.G310 helixtrans-63.6-27.1-177.654.10000113.3F303 V317F303-T319 HydrophobicContact CE1-CG2 3.89Å; F303-T319 HydrophobicContact CZ-CG2 4.23Å; V317-T319 WeakPolarHBondContact CG1-OG1 3.1Å; V317-T319 PolarHBondContact O-N 3.04Å
320E74.4Confident80.5Confident53 Ų5358.4 Ų58.425%0.24829%0.294CS..G310 helixtrans-105-1.4-179.9-64.7177.6-165.200112R96 Y290 V317 P318 L322R96-E320 IonicContact CZ-OE1 3.04Å; R96-E320 IonicContact NH1-OE1 3.94Å; R96-E320 PolarHBondContact NH1-OE1 2.84Å; R96-E320 IonicContact NH1-OE2 3.29Å; Y290-E320 PolarHBondContact OH-OE2 3.48Å; V317-E320 HydrophobicContact CB-CB 4.42Å; V317-E320 HydrophobicContact CG1-CB 4.11Å; V317-E320 HydrophobicContact CG1-CG 4.1Å; V317-E320 PolarHBondContact O-N 3.29Å; P318-E320 PolarHBondContact O-N 3.43Å; E320-L322 HydrophobicContact CB-CB 3.99Å; E320-L322 PolarHBondContact O-N 3.06Å
321N74.9Confident79.6Confident124 Ų12458.2 Ų58.266%0.66329%0.293SS*.THydrogen-bonded Turntrans44.742.4-169-168.225.4000112.5Y316 V317 P318Y316-N321 PolarHBondContact OH-OD1 3.05Å; V317-N321 PolarHBondContact O-N 3.42Å; V317-N321 VanDerWaalsContact O-N 3.1Å; P318-N321 PolarHBondContact O-N 3.22Å; P318-N321 VanDerWaalsContact O-N 3.11Å
322L78Confident78.3Confident35 Ų3565.3 Ų65.318%0.18332%0.323CS..EExtended strand (participates in β ladder)trans-119.6118.7-170.6-172.8146.4000110.5P76 Y290 Y316 V317 E320 F324P76-L322 HydrophobicContact CG-CD1 4.19Å; Y290-L322 HydrophobicContact CD2-CD2 4.02Å; Y290-L322 HydrophobicContact CE2-CD1 4.2Å; Y290-L322 HydrophobicContact CE2-CD2 3.48Å; Y290-L322 VanDerWaalsContact CE2-CD2 3.48Å; Y316-L322 WeakPolarHBondContact CA-O 3.25Å; Y316-L322 WeakPolarHBondContact CD2-O 3.22Å; V317-L322 PolarHBondContact N-O 3.17Å; V317-L322 PolarHBondContact O-N 3.46Å; V317-L322 VanDerWaalsContact O-N 3.15Å; E320-L322 HydrophobicContact CB-CB 3.99Å; E320-L322 PolarHBondContact O-N 3.06Å; L322-F324 HydrophobicContact CD2-CB 3.89Å; L322-F324 HydrophobicContact CD2-CD1 4.47Å
323R78.2Confident76.7Confident173 Ų17367.7 Ų67.765%0.65334%0.338SS*.EExtended strand (participates in β ladder)trans-94.1111.1170.6-174.4170.5-80177.4-2.9109.1G315 Y316 R325G315-R323 CarbonylContact O-C 3.54Å; G315-R323 WeakPolarHBondContact O-CA 3.31Å; Y316-R323 HydrophobicContact CD2-CB 3.9Å; R323-R325 VanDerWaalsContact CD-O 3.27Å; R323-R325 WeakPolarHBondContact CD-O 3.1Å; R323-R325 WeakPolarHBondContact CG-O 3.34Å
324F79.6Confident75Confident56 Ų5670 Ų7025%0.24636%0.358CS..  trans-95-11.1177.164-96000112.8Y290 G315 V317 L322Y290-F324 HydrophobicContact CD1-CD1 4.28Å; Y290-F324 HydrophobicContact CD2-CB 3.76Å; Y290-F324 HydrophobicContact CD2-CD1 4.41Å; Y290-F324 HydrophobicContact CD2-CG 4.22Å; Y290-F324 HydrophobicContact CG-CB 4.02Å; Y290-F324 AromaticContact CG-CD1 3.93Å; Y290-F324 HydrophobicContact CG-CD1 3.93Å; Y290-F324 AromaticContact CG-CG 3.95Å; Y290-F324 HydrophobicContact CG-CG 3.95Å; G315-F324 WeakPolarHBondContact O-CD1 3.3Å; G315-F324 PolarHBondContact O-N 3.13Å; V317-F324 HydrophobicContact CG2-CD1 3.95Å; V317-F324 HydrophobicContact CG2-CE1 3.82Å; L322-F324 HydrophobicContact CD2-CB 3.89Å; L322-F324 HydrophobicContact CD2-CD1 4.47Å
325R80.1Confident73.1Confident26 Ų2675.4 Ų75.410%0.09838%0.38CS..  trans-136.9138.7172.5-173.317661.5-133.7-14111.8F312 L313 G315 R323 I327 E495F312-R325 PolarHBondContact O-NH2 3.34Å; L313-R325 PolarHBondContact O-NH2 3.45Å; G315-R325 PolarHBondContact O-N 3.45Å; G315-R325 VanDerWaalsContact O-N 3.12Å; R323-R325 VanDerWaalsContact CD-O 3.27Å; R323-R325 WeakPolarHBondContact CD-O 3.1Å; R323-R325 WeakPolarHBondContact CG-O 3.34Å; R325-I327 WeakPolarHBondContact CD-O 3.3Å; R325-I327 WeakPolarHBondContact CG-O 3.48Å; R325-I327 PolarHBondContact NE-O 3.21Å; R325-E495 WeakPolarHBondContact CD-OE1 3.43Å; R325-E495 IonicContact NH1-OE1 3Å
326E72.1Confident71.3Confident178 Ų17881.4 Ų81.483%0.83242%0.417SS*.SBendtrans-73-35.6-177.9-64.4-176.3170.400113.4
327I77.4Confident69.5Low119 Ų11980.1 Ų80.161%0.6142%0.422SS*.SBendtrans-110.5129.2-172.7-56.9170.3000109.4R325R325-I327 WeakPolarHBondContact CD-O 3.3Å; R325-I327 WeakPolarHBondContact CG-O 3.48Å; R325-I327 PolarHBondContact NE-O 3.21Å
328S78.8Confident67.8Low55 Ų5586.1 Ų86.139%0.38545%0.454SS..  trans-76.7150.7172.159.60000111.8
329L73.9Confident66.1Low9 Ų990.7 Ų90.75%0.04747%0.469CS..  trans-99.388.9179.4-65.7-178.9000108.9L313 L498L313-L329 HydrophobicContact CB-CB 4.39Å; L313-L329 HydrophobicContact CD2-CB 3.89Å; L313-L329 HydrophobicContact CD2-CD1 4.1Å; L313-L329 WeakPolarHBondContact O-CB 3.33Å; L313-L329 PolarHBondContact O-N 3.32Å; L329-L498 HydrophobicContact CB-CD2 3.5Å; L329-L498 VanDerWaalsContact CB-CD2 3.5Å; L329-L498 HydrophobicContact CD1-CD2 3.85Å; L329-L498 HydrophobicContact CD2-CD2 3.64Å; L329-L498 HydrophobicContact CD2-CG 4.38Å; L329-L498 HydrophobicContact CG-CD2 3.79Å
330V70.4Confident64.4Low54 Ų5493.9 Ų93.933%0.32748%0.478SS..  trans-94.7134.3178.1-170.70000110.7K332V330-K332 HydrophobicContact CG1-CG 3.84Å; V330-K332 PolarHBondContact O-N 2.99Å
331F69.4Low63.3Low10 Ų1097.2 Ų97.24%0.04449%0.493CS..  trans-9572174.5-58.2-79.6000109.8L313 V333 L498 I523 N572 F573 R574L313-F331 HydrophobicContact CD1-CE2 3.77Å; L313-F331 HydrophobicContact CD2-CE2 3.84Å; L313-F331 HydrophobicContact CD2-CZ 3.94Å; L313-F331 HydrophobicContact CG-CE2 4.42Å; F331-V333 PolarHBondContact O-N 3.15Å; F331-L498 HydrophobicContact CD1-CD1 4.27Å; F331-L498 HydrophobicContact CE1-CD1 3.69Å; F331-L498 HydrophobicContact CE1-CD2 3.79Å; F331-L498 HydrophobicContact CE1-CG 4.37Å; F331-L498 HydrophobicContact CZ-CD2 3.88Å; F331-I523 HydrophobicContact CD1-CG2 3.7Å; F331-I523 HydrophobicContact CE1-CB 4.5Å; F331-I523 HydrophobicContact CE1-CG2 3.01Å; F331-I523 HydrophobicContact CZ-CG2 3.56Å; F331-N572 PolarHBondContact N-O 3.44Å; F331-F573 WeakPolarHBondContact O-CB 3.37Å; F331-R574 HydrophobicContact CD2-CB 3.53Å; F331-R574 HydrophobicContact CE2-CB 3.84Å; F331-R574 HydrophobicContact CG-CB 4.27Å
332K62.3Low62.3Low155 Ų15595 Ų9567%0.67448%0.48SS*.PPolyproline II helixtrans-76.2117.8166.5-67.7-163.9174.9-168.40107.9V330 A334V330-K332 HydrophobicContact CG1-CG 3.84Å; V330-K332 PolarHBondContact O-N 2.99Å; K332-A334 PolarHBondContact O-N 2.97Å
333V55.8Low60.8Low54 Ų54102.1 Ų102.133%0.32751%0.51SS..PPolyproline II helixtrans-61.3123156.2179.40000105.1F331 E335 L597F331-V333 PolarHBondContact O-N 3.15Å; V333-E335 PolarHBondContact O-N 2.98Å; V333-L597 HydrophobicContact CB-CD2 4.43Å; V333-L597 HydrophobicContact CG1-CD2 3.9Å; V333-L597 HydrophobicContact CG2-CD2 4.08Å
334A51.2Low59.7Low51 Ų51104.9 Ų104.942%0.42152%0.521SS..PPolyproline II helixtrans-61.1130.817800000107.2K332 T336K332-A334 PolarHBondContact O-N 2.97Å; A334-T336 PolarHBondContact O-N 3.46Å
335E45.6Very low59Low190 Ų190104.1 Ų104.189%0.88852%0.518SS*.PPolyproline II helixtrans-52.7126.7160.6-71.9170.7174.200106.6V333 A337V333-E335 PolarHBondContact O-N 2.98Å; E335-A337 PolarHBondContact O-N 3.02Å
336T46.9Very low58.4Low127 Ų127106 Ų10678%0.77954%0.535SS*.PPolyproline II helixtrans-50.2139.4176.935.80000109.9A334 N338A334-T336 PolarHBondContact O-N 3.46Å; T336-N338 PolarHBondContact O-N 3.3Å
337A46.8Very low58.7Low48 Ų48103.3 Ų103.340%0.39752%0.522SS..PPolyproline II helixtrans-49.5140.3170.400000110.2E335E335-A337 PolarHBondContact O-N 3.02Å
338N48.3Very low59.1Low127 Ų127100.3 Ų100.368%0.67950%0.503SS*.PPolyproline II helixtrans-54.8141.8180-75.6-18.1000110.4T336 E340 E341T336-N338 PolarHBondContact O-N 3.3Å; N338-E340 PolarHBondContact O-N 3.11Å; N338-E341 PolarHBondContact O-N 3.21Å
339E44.1Very low59.5Low165 Ų165102.6 Ų102.677%0.77151%0.508SS*.Hα-helixtrans-53.7-23.5-177.1-67.3-176.4158.300114.3
340E44.6Very low60.2Low163 Ų163102.2 Ų102.276%0.76251%0.506SS*.Hα-helixtrans-70.6-27.3175.9-64.9-169.315700113.8N338N338-E340 PolarHBondContact O-N 3.11Å
341E51.7Low61.2Low122 Ų122101.5 Ų101.557%0.5750%0.502SS*.Hα-helixtrans-76.2-31.5176.2-68.6-172.1140.300111.9N338 K343 R344N338-E341 PolarHBondContact O-N 3.21Å; E341-K343 VanDerWaalsContact C-N 3.33Å; E341-K343 PolarHBondContact O-N 3.23Å; E341-R344 PolarHBondContact O-N 2.83Å
342I52.5Low62.3Low77 Ų77104.2 Ų104.240%0.39552%0.515SS..Hα-helixtrans-65.2-36.6-180-57.2176.6000111R344 M345I342-R344 PolarHBondContact O-N 3.16Å; I342-R344 VanDerWaalsContact O-N 3.1Å; I342-M345 WeakPolarHBondContact O-CB 3.24Å; I342-M345 PolarHBondContact O-N 3.14Å; I342-M345 VanDerWaalsContact O-N 3.14Å
343K47.7Very low63.7Low185 Ų18596.9 Ų96.980%0.80448%0.483SS*.THydrogen-bonded Turntrans-64.8-14-179.8-74.2179.6-179.71710114.9E341E341-K343 VanDerWaalsContact C-N 3.33Å; E341-K343 PolarHBondContact O-N 3.23Å
344R53.8Low65.5Low232 Ų23297.8 Ų97.888%0.87548%0.483SS*.THydrogen-bonded Turntrans-100.44.2178.1-70.2-176.4176.8175.21.1113.5E341 I342E341-R344 PolarHBondContact O-N 2.83Å; I342-R344 PolarHBondContact O-N 3.16Å; I342-R344 VanDerWaalsContact O-N 3.1Å
345M65.6Low67.3Low40 Ų4096.5 Ų96.520%0.19747%0.468CS..SBendtrans-84.9140.6-176-63.5-178.3164.400111.4I342 H347 T370 D371I342-M345 WeakPolarHBondContact O-CB 3.24Å; I342-M345 PolarHBondContact O-N 3.14Å; I342-M345 VanDerWaalsContact O-N 3.14Å; M345-H347 PolarHBondContact O-CD2 2.92Å; M345-T370 HydrophobicContact CB-CG2 4.44Å; M345-D371 WeakPolarHBondContact CE-O 3.32Å
346C68.4Low69.5Low66 Ų6691.7 Ų91.745%0.44645%0.448SS..PPolyproline II helixtrans-70.7134.6167.4-590000108.7Y348 T370 D371C346-Y348 HydrophobicContact CB-CE2 3.81Å; C346-T370 WeakPolarHBondContact O-CA 3.26Å; C346-D371 WeakPolarHBondContact CB-OD2 3.24Å; C346-D371 PolarHBondContact O-N 2.92Å; C346-D371 PolarHBondContact SG-OD2 3.41Å
347H78.3Confident71.3Confident121 Ų12189.3 Ų89.356%0.5643%0.429SS*.EExtended strand (participates in β ladder)trans-97.5123.6173.7-68.3-91.3000108.8M345M345-H347 PolarHBondContact O-CD2 2.92Å
348Y85.3Confident73.1Confident56 Ų5690.8 Ų90.822%0.2245%0.449CS..EExtended strand (participates in β ladder)trans-111.5144.1171.7-58-84.2000108.9C346 E368 F369 D371 L407C346-Y348 HydrophobicContact CB-CE2 3.81Å; Y348-E368 CarbonylContact O-C 3.48Å; Y348-E368 VanDerWaalsContact O-CA 3.3Å; Y348-E368 WeakPolarHBondContact O-CA 3.24Å; Y348-F369 VanDerWaalsContact CB-CE1 3.43Å; Y348-F369 VanDerWaalsContact CB-CE2 3.43Å; Y348-F369 AromaticContact CD2-CD2 3.93Å; Y348-F369 HydrophobicContact CD2-CD2 3.93Å; Y348-F369 AromaticContact CD2-CE2 3.52Å; Y348-F369 HydrophobicContact CD2-CE2 3.52Å; Y348-F369 HydrophobicContact CD2-CZ 4.12Å; Y348-F369 HydrophobicContact CE2-CE2 4.46Å; Y348-F369 HydrophobicContact CG-CD2 4.31Å; Y348-F369 HydrophobicContact CG-CE1 4.46Å; Y348-F369 AromaticContact CG-CE2 3.66Å; Y348-F369 HydrophobicContact CG-CE2 3.66Å; Y348-F369 AromaticContact CG-CZ 3.76Å; Y348-F369 HydrophobicContact CG-CZ 3.76Å; Y348-F369 PolarHBondContact N-O 3.09Å; Y348-F369 PolarHBondContact O-N 2.94Å; Y348-D371 WeakPolarHBondContact CE2-OD1 3.23Å; Y348-L407 HydrophobicContact CD1-CD1 4.04Å; Y348-L407 HydrophobicContact CD1-CD2 4.34Å; Y348-L407 HydrophobicContact CE1-CD1 4.17Å; Y348-L407 HydrophobicContact CE1-CD2 3.74Å; Y348-L407 HydrophobicContact CG-CD1 4.36Å
349Q87.1Confident74.8Confident102 Ų10292.4 Ų92.448%0.47746%0.457SS..EExtended strand (participates in β ladder)trans-124.3139.8177.4-167.2176.4900109.1G367 E368Q349-G367 WeakPolarHBondContact CA-O 3.37Å; Q349-G367 WeakPolarHBondContact CG-O 3.41Å; Q349-E368 HydrophobicContact CB-CG 4.26Å; Q349-E368 HydrophobicContact CG-CG 3.91Å
350Y89.2Confident76.9Confident1 Ų185.6 Ų85.60%0.00443%0.425CS..EExtended strand (participates in β ladder)trans-108135.1164.656.6-91.5000109.1M353 I364 L365 E366 G367 F369 F388 P548Y350-M353 HydrophobicContact CD2-CE 4.12Å; Y350-I364 HydrophobicContact CD2-CG2 4.09Å; Y350-I364 HydrophobicContact CE2-CG2 3.8Å; Y350-L365 VanDerWaalsContact CE2-O 3.24Å; Y350-L365 WeakPolarHBondContact CE2-O 3.18Å; Y350-E366 WeakPolarHBondContact O-CA 3.46Å; Y350-G367 VanDerWaalsContact CD1-O 3.28Å; Y350-G367 WeakPolarHBondContact CD1-O 3.37Å; Y350-G367 WeakPolarHBondContact CE1-O 3.33Å; Y350-G367 VanDerWaalsContact CZ-CA 3.49Å; Y350-G367 PolarHBondContact N-O 2.83Å; Y350-G367 PolarHBondContact O-N 3.37Å; Y350-G367 VanDerWaalsContact O-N 3.11Å; Y350-F369 HydrophobicContact CD1-CD1 4Å; Y350-F369 HydrophobicContact CD1-CE1 4.17Å; Y350-F369 HydrophobicContact CE1-CD1 4.33Å; Y350-F388 HydrophobicContact CD2-CZ 4.24Å; Y350-F388 HydrophobicContact CE1-CZ 4.45Å; Y350-F388 HydrophobicContact CE2-CE2 4.47Å; Y350-F388 AromaticContact CE2-CZ 3.83Å; Y350-F388 HydrophobicContact CE2-CZ 3.83Å; Y350-F388 AromaticContact CZ-CZ 3.94Å; Y350-P548 HydrophobicContact CE1-CG 4.46Å; Y350-P548 WeakPolarHBondContact OH-CD 3.29Å; Y350-P548 VanDerWaalsContact OH-CG 3.27Å; Y350-P548 WeakPolarHBondContact OH-CG 3.36Å
351P91Very high79.2Confident40 Ų4079.3 Ų79.326%0.2640%0.401SS..  trans-72169.3-178.231.2-35.1000110.9M353P351-M353 HydrophobicContact CG-CG 4.38Å; P351-M353 PolarHBondContact O-N 2.9Å
352H92.5Very high81.1Confident67 Ų6773.6 Ų73.631%0.3138%0.375SS..  trans-57.1130.4164-174.9-72.6000109.8E363 I364 G401H352-E363 IonicContact CE1-OE1 3.11Å; H352-E363 PolarHBondContact CE1-OE1 3.2Å; H352-E363 WeakPolarHBondContact NE2-CG 3.18Å; H352-E363 IonicContact NE2-OE1 2.96Å; H352-E363 PolarHBondContact NE2-OE1 3.32Å; H352-I364 WeakPolarHBondContact CA-O 3.38Å; H352-G401 WeakPolarHBondContact O-CA 3.37Å
353M92Very high83.1Confident0 Ų073.2 Ų73.20%037%0.371CS..EExtended strand (participates in β ladder)trans-134.4145.3-178.9-68.4175.6-76.900110.7Y350 P351 I364 F388 M391 P398 E400 V404Y350-M353 HydrophobicContact CD2-CE 4.12Å; P351-M353 HydrophobicContact CG-CG 4.38Å; P351-M353 PolarHBondContact O-N 2.9Å; M353-I364 HydrophobicContact CB-CB 4.23Å; M353-I364 HydrophobicContact CB-CD1 4.19Å; M353-I364 HydrophobicContact CE-CD1 4.25Å; M353-I364 HydrophobicContact CE-CG2 4.09Å; M353-I364 PolarHBondContact N-O 3.04Å; M353-I364 PolarHBondContact O-N 2.78Å; M353-F388 HydrophobicContact CE-CE2 4.03Å; M353-M391 HydrophobicContact CB-CE 3.93Å; M353-M391 HydrophobicContact CG-CE 4.41Å; M353-M391 HydrophobicContact SD-CE 3.76Å; M353-P398 HydrophobicContact CB-CB 4.18Å; M353-P398 HydrophobicContact CG-CB 4.18Å; M353-P398 HydrophobicContact CG-CG 4.43Å; M353-P398 HydrophobicContact SD-CB 4.37Å; M353-P398 HydrophobicContact SD-CG 4.29Å; M353-E400 CarbonylContact C-O 3.58Å; M353-E400 VanDerWaalsContact CA-O 3.32Å; M353-E400 WeakPolarHBondContact CA-O 3.26Å; M353-V404 HydrophobicContact CE-CG2 4.15Å; M353-V404 HydrophobicContact SD-CG2 3.83Å
354K92.4Very high85.3Confident74 Ų7464.5 Ų64.532%0.32233%0.333SS..EExtended strand (participates in β ladder)trans-123.6143.8168.4-63.5-177.3-179.2174.70111.2L362 E363 D399 E400K354-L362 CarbonylContact C-O 3.6Å; K354-L362 WeakPolarHBondContact CA-O 3.2Å; K354-E363 WeakPolarHBondContact CE-OE1 3.49Å; K354-E363 HydrophobicContact CG-CB 4.45Å; K354-E363 HydrophobicContact CG-CG 4.23Å; K354-E363 IonicContact NZ-OE1 3.89Å; K354-D399 PolarHBondContact O-N 3.04Å; K354-E400 HydrophobicContact CB-CB 4.18Å; K354-E400 PolarHBondContact N-O 3.25Å; K354-E400 PolarHBondContact O-N 3.11Å
355K90.6Very high87.2Confident24 Ų2456 Ų5610%0.10431%0.305CS..EExtended strand (participates in β ladder)trans-137.1123.2175.6-172.374.4-158.1165.50110.4M357 L362 T387 M391 L396 K397 D399K355-M357 HydrophobicContact CG-CG 4.13Å; K355-L362 HydrophobicContact CB-CB 4.47Å; K355-L362 PolarHBondContact N-O 2.87Å; K355-L362 PolarHBondContact O-N 3.45Å; K355-T387 HydrophobicContact CG-CG2 4.29Å; K355-M391 HydrophobicContact CB-CE 4.43Å; K355-M391 HydrophobicContact CB-SD 3.95Å; K355-M391 HydrophobicContact CG-SD 4.29Å; K355-L396 HydrophobicContact CD-CD2 4.16Å; K355-L396 HydrophobicContact CD-CG 4.33Å; K355-L396 HydrophobicContact CG-CD2 4.22Å; K355-K397 VanDerWaalsContact CD-O 3.28Å; K355-K397 WeakPolarHBondContact CD-O 3.43Å; K355-K397 WeakPolarHBondContact CE-O 3.49Å; K355-K397 PolarHBondContact NZ-O 3.32Å; K355-D399 WeakPolarHBondContact CA-OD2 3.36Å; K355-D399 WeakPolarHBondContact CD-OD2 3.43Å; K355-D399 WeakPolarHBondContact CE-OD2 3.45Å; K355-D399 VanDerWaalsContact NZ-CG 3.3Å; K355-D399 IonicContact NZ-OD1 3.31Å; K355-D399 PolarHBondContact NZ-OD1 3.46Å; K355-D399 IonicContact NZ-OD2 2.78Å; K355-D399 PolarHBondContact NZ-OD2 3.35Å
356N90.7Very high88.5Confident88 Ų8859.6 Ų59.647%0.47132%0.321SS..EExtended strand (participates in β ladder)trans-107.5131174-63.5-26.4000109.3F360 A361 D399N356-F360 CarbonylContact C-O 3.51Å; N356-F360 WeakPolarHBondContact CA-O 3.25Å; N356-A361 WeakPolarHBondContact OD1-CB 3.37Å; N356-D399 PolarHBondContact N-OD2 2.97Å
357M84.7Confident89.5Confident77 Ų7756.7 Ų56.738%0.37930%0.303SS..EExtended strand (participates in β ladder)trans-133.686.9178.8-63.3-168.3-58.500109.3K355 D359 F360 T387 L396K355-M357 HydrophobicContact CG-CG 4.13Å; M357-D359 PolarHBondContact O-N 3.3Å; M357-F360 HydrophobicContact CB-CD1 4.44Å; M357-F360 HydrophobicContact CE-CD1 3.59Å; M357-F360 HydrophobicContact CE-CE1 3.84Å; M357-F360 PolarHBondContact N-O 3.19Å; M357-F360 PolarHBondContact O-N 2.83Å; M357-T387 HydrophobicContact CE-CG2 3.68Å; M357-T387 WeakPolarHBondContact CE-OG1 3.42Å; M357-T387 HydrophobicContact SD-CG2 3.97Å; M357-L396 HydrophobicContact SD-CD2 4.33Å
358G85.1Confident90.1Very high80 Ų8055.6 Ų55.683%0.82530%0.298SS*.THydrogen-bonded Turntrans63.4-120.6-172.900000110.4F360G358-F360 VanDerWaalsContact C-N 3.28Å; G358-F360 PolarHBondContact O-N 2.89Å
359D83.4Confident90.3Very high160 Ų16053.1 Ų53.186%0.85629%0.288SS*.THydrogen-bonded Turntrans-81.8-3.1-179.8-57.7-34.5000114M357M357-D359 PolarHBondContact O-N 3.3Å
360F88.6Confident90.2Very high22 Ų2249 Ų4910%0.09627%0.27CS..EExtended strand (participates in β ladder)trans-103.1123.1-178.4174.1-106.6000111.6N356 M357 G358 L362 G382 R541 T543N356-F360 CarbonylContact C-O 3.51Å; N356-F360 WeakPolarHBondContact CA-O 3.25Å; M357-F360 HydrophobicContact CB-CD1 4.44Å; M357-F360 HydrophobicContact CE-CD1 3.59Å; M357-F360 HydrophobicContact CE-CE1 3.84Å; M357-F360 PolarHBondContact N-O 3.19Å; M357-F360 PolarHBondContact O-N 2.83Å; G358-F360 VanDerWaalsContact C-N 3.28Å; G358-F360 PolarHBondContact O-N 2.89Å; F360-L362 HydrophobicContact CE1-CB 3.72Å; F360-L362 HydrophobicContact CZ-CB 3.88Å; F360-G382 WeakPolarHBondContact CE2-O 3.17Å; F360-R541 CarbonylContact C-O 3.53Å; F360-R541 WeakPolarHBondContact CA-O 3.49Å; F360-T543 HydrophobicContact CE2-CG2 4.2Å; F360-T543 WeakPolarHBondContact CE2-OG1 3.49Å; F360-T543 WeakPolarHBondContact CZ-OG1 3.46Å
361A91.8Very high89.9Confident31 Ų3150.4 Ų50.426%0.25628%0.278SS..EExtended strand (participates in β ladder)trans-109.7128.2172.200000110.8N356 R541 S542 T543N356-A361 WeakPolarHBondContact OD1-CB 3.37Å; A361-R541 PolarHBondContact N-O 3.06Å; A361-S542 WeakPolarHBondContact O-CA 3.47Å; A361-T543 PolarHBondContact O-N 2.98Å
362L93Very high89.5Confident2 Ų249.6 Ų49.61%0.0127%0.273CS..EExtended strand (participates in β ladder)trans-115.9119.8173.617564.1000109.3K354 K355 F360 I364 T387 F535 T543K354-L362 CarbonylContact C-O 3.6Å; K354-L362 WeakPolarHBondContact CA-O 3.2Å; K355-L362 HydrophobicContact CB-CB 4.47Å; K355-L362 PolarHBondContact N-O 2.87Å; K355-L362 PolarHBondContact O-N 3.45Å; F360-L362 HydrophobicContact CE1-CB 3.72Å; F360-L362 HydrophobicContact CZ-CB 3.88Å; L362-I364 HydrophobicContact CD2-CD1 4.18Å; L362-I364 HydrophobicContact CD2-CG1 4.31Å; L362-I364 HydrophobicContact CG-CD1 4.43Å; L362-I364 HydrophobicContact CG-CG1 4.13Å; L362-T387 HydrophobicContact CD2-CG2 4.03Å; L362-F535 HydrophobicContact CD1-CD1 4.34Å; L362-F535 HydrophobicContact CD1-CE1 4.07Å; L362-T543 WeakPolarHBondContact CA-O 3.38Å
363E94.2Very high89.3Confident70 Ų7047.5 Ų47.533%0.32726%0.263SS..EExtended strand (participates in β ladder)trans-102.4132.8169.4-176.1165.2-148.900109.5H352 K354 L365 T543 A544 A545H352-E363 IonicContact CE1-OE1 3.11Å; H352-E363 PolarHBondContact CE1-OE1 3.2Å; H352-E363 WeakPolarHBondContact NE2-CG 3.18Å; H352-E363 IonicContact NE2-OE1 2.96Å; H352-E363 PolarHBondContact NE2-OE1 3.32Å; K354-E363 WeakPolarHBondContact CE-OE1 3.49Å; K354-E363 HydrophobicContact CG-CB 4.45Å; K354-E363 HydrophobicContact CG-CG 4.23Å; K354-E363 IonicContact NZ-OE1 3.89Å; E363-L365 HydrophobicContact CG-CD2 4.49Å; E363-T543 PolarHBondContact N-O 2.67Å; E363-A544 CarbonylContact O-C 3.59Å; E363-A544 VanDerWaalsContact O-CA 3.22Å; E363-A544 WeakPolarHBondContact O-CA 3.16Å; E363-A545 PolarHBondContact O-N 3.18Å
364I94Very high89.3Confident1 Ų147.5 Ų47.51%0.00526%0.263CS..EExtended strand (participates in β ladder)trans-117.7114.9176.9-63154.7000106.2Y350 H352 M353 L362 F388 M391 A545Y350-I364 HydrophobicContact CD2-CG2 4.09Å; Y350-I364 HydrophobicContact CE2-CG2 3.8Å; H352-I364 WeakPolarHBondContact CA-O 3.38Å; M353-I364 HydrophobicContact CB-CB 4.23Å; M353-I364 HydrophobicContact CB-CD1 4.19Å; M353-I364 HydrophobicContact CE-CD1 4.25Å; M353-I364 HydrophobicContact CE-CG2 4.09Å; M353-I364 PolarHBondContact N-O 3.04Å; M353-I364 PolarHBondContact O-N 2.78Å; L362-I364 HydrophobicContact CD2-CD1 4.18Å; L362-I364 HydrophobicContact CD2-CG1 4.31Å; L362-I364 HydrophobicContact CG-CD1 4.43Å; L362-I364 HydrophobicContact CG-CG1 4.13Å; I364-F388 HydrophobicContact CD1-CB 4.37Å; I364-F388 HydrophobicContact CD1-CD2 3.37Å; I364-F388 HydrophobicContact CD1-CE2 3.9Å; I364-F388 HydrophobicContact CD1-CG 4.09Å; I364-F388 HydrophobicContact CG1-CD2 3.98Å; I364-F388 HydrophobicContact CG1-CE2 4.32Å; I364-F388 HydrophobicContact CG1-CG 4.38Å; I364-F388 HydrophobicContact CG2-CD2 4.21Å; I364-F388 HydrophobicContact CG2-CE2 3.69Å; I364-F388 HydrophobicContact CG2-CZ 3.92Å; I364-M391 HydrophobicContact CD1-CE 3.68Å; I364-M391 HydrophobicContact CD1-SD 3.78Å; I364-A545 HydrophobicContact CB-CB 4.44Å; I364-A545 HydrophobicContact CG1-CB 4.13Å; I364-A545 HydrophobicContact CG2-CB 4.4Å
365L93.8Very high89.4Confident54 Ų5444 Ų4428%0.28325%0.248SC..  trans-69.8151.7174.3-58.9-175.9000109.8Y350 E363 A545 T547Y350-L365 VanDerWaalsContact CE2-O 3.24Å; Y350-L365 WeakPolarHBondContact CE2-O 3.18Å; E363-L365 HydrophobicContact CG-CD2 4.49Å; L365-A545 WeakPolarHBondContact CB-O 3.46Å; L365-A545 WeakPolarHBondContact CG-O 3.5Å; L365-A545 PolarHBondContact N-O 3.28Å; L365-T547 HydrophobicContact CB-CG2 3.9Å; L365-T547 HydrophobicContact CD1-CG2 4.39Å
366E92.1Very high89.6Confident115 Ų11542.9 Ų42.954%0.53724%0.243SC..  trans-57.8144.3176.265-177.217700111.5Y350 T547Y350-E366 WeakPolarHBondContact O-CA 3.46Å; E366-T547 WeakPolarHBondContact O-CG2 3.46Å
367G90.8Very high89.8Confident5 Ų538.7 Ų38.75%0.05222%0.221CC..EExtended strand (participates in β ladder)trans-155.7157.4-178.600000113Q349 Y350Q349-G367 WeakPolarHBondContact CA-O 3.37Å; Q349-G367 WeakPolarHBondContact CG-O 3.41Å; Y350-G367 VanDerWaalsContact CD1-O 3.28Å; Y350-G367 WeakPolarHBondContact CD1-O 3.37Å; Y350-G367 WeakPolarHBondContact CE1-O 3.33Å; Y350-G367 VanDerWaalsContact CZ-CA 3.49Å; Y350-G367 PolarHBondContact N-O 2.83Å; Y350-G367 PolarHBondContact O-N 3.37Å; Y350-G367 VanDerWaalsContact O-N 3.11Å
368E89.9Confident90.1Very high98 Ų9835.1 Ų35.146%0.45820%0.203SC..EExtended strand (participates in β ladder)trans-119.4145.9-177.8-65.2176.7-167.100110.4Y348 Q349 R531Y348-E368 CarbonylContact O-C 3.48Å; Y348-E368 VanDerWaalsContact O-CA 3.3Å; Y348-E368 WeakPolarHBondContact O-CA 3.24Å; Q349-E368 HydrophobicContact CB-CG 4.26Å; Q349-E368 HydrophobicContact CG-CG 3.91Å; E368-R531 PolarHBondContact O-NH1 3.3Å
369F89.2Confident90.3Very high4 Ų431.4 Ų31.42%0.01817%0.165CC..EExtended strand (participates in β ladder)trans-141.8152.2175.465-86.1000111.6Y348 Y350 M375 L407 V482 T514 F516Y348-F369 VanDerWaalsContact CB-CE1 3.43Å; Y348-F369 VanDerWaalsContact CB-CE2 3.43Å; Y348-F369 AromaticContact CD2-CD2 3.93Å; Y348-F369 HydrophobicContact CD2-CD2 3.93Å; Y348-F369 AromaticContact CD2-CE2 3.52Å; Y348-F369 HydrophobicContact CD2-CE2 3.52Å; Y348-F369 HydrophobicContact CD2-CZ 4.12Å; Y348-F369 HydrophobicContact CE2-CE2 4.46Å; Y348-F369 HydrophobicContact CG-CD2 4.31Å; Y348-F369 HydrophobicContact CG-CE1 4.46Å; Y348-F369 AromaticContact CG-CE2 3.66Å; Y348-F369 HydrophobicContact CG-CE2 3.66Å; Y348-F369 AromaticContact CG-CZ 3.76Å; Y348-F369 HydrophobicContact CG-CZ 3.76Å; Y348-F369 PolarHBondContact N-O 3.09Å; Y348-F369 PolarHBondContact O-N 2.94Å; Y350-F369 HydrophobicContact CD1-CD1 4Å; Y350-F369 HydrophobicContact CD1-CE1 4.17Å; Y350-F369 HydrophobicContact CE1-CD1 4.33Å; F369-M375 HydrophobicContact CB-CE 3.21Å; F369-M375 HydrophobicContact CB-SD 3.92Å; F369-M375 HydrophobicContact CD1-CE 4.28Å; F369-M375 HydrophobicContact CG-CE 3.83Å; F369-L407 HydrophobicContact CE2-CD1 4.22Å; F369-L407 HydrophobicContact CZ-CD1 3.95Å; F369-V482 HydrophobicContact CE2-CG2 4.42Å; F369-T514 HydrophobicContact CD2-CG2 4.01Å; F369-T514 HydrophobicContact CE2-CG2 3.93Å; F369-F516 HydrophobicContact CD1-CZ 4.15Å; F369-F516 HydrophobicContact CE1-CZ 4.34Å; F369-F516 HydrophobicContact CG-CZ 4.31Å
370T85.6Confident90.4Very high17 Ų1725.8 Ų25.810%0.10413%0.133CC..EExtended strand (participates in β ladder)trans-111.6161.5179.961.60000112.2M345 C346 E373M345-T370 HydrophobicContact CB-CG2 4.44Å; C346-T370 WeakPolarHBondContact O-CA 3.26Å; T370-E373 PolarHBondContact N-OE2 3.32Å; T370-E373 WeakPolarHBondContact O-CB 3.46Å
371D82.4Confident90.3Very high30 Ų3027 Ų2716%0.1614%0.141CC..THydrogen-bonded Turntrans-60.3149.7165.1-73.2-37.9000110.7M345 C346 Y348 E373M345-D371 WeakPolarHBondContact CE-O 3.32Å; C346-D371 WeakPolarHBondContact CB-OD2 3.24Å; C346-D371 PolarHBondContact O-N 2.92Å; C346-D371 PolarHBondContact SG-OD2 3.41Å; Y348-D371 WeakPolarHBondContact CE2-OD1 3.23Å; D371-E373 PolarHBondContact O-N 3.09Å
372S83.9Confident89.9Confident22 Ų2227.4 Ų27.415%0.15415%0.147CC..THydrogen-bonded Turntrans65.715.4-179.6-39.50000115.6K512 K513S372-K512 VanDerWaalsContact OG-CA 3.28Å; S372-K512 WeakPolarHBondContact OG-CA 3.36Å; S372-K512 WeakPolarHBondContact OG-CB 3.49Å; S372-K513 WeakPolarHBondContact CA-O 3.43Å; S372-K513 PolarHBondContact N-O 3.31Å
373E87.7Confident89.6Confident23 Ų2327.4 Ų27.411%0.10715%0.148CC..  trans-105142.3178-178.6169.1-12900112T370 D371 M375 T514 A515 D530 R531T370-E373 PolarHBondContact N-OE2 3.32Å; T370-E373 WeakPolarHBondContact O-CB 3.46Å; D371-E373 PolarHBondContact O-N 3.09Å; E373-M375 HydrophobicContact CG-CG 4.34Å; E373-T514 WeakPolarHBondContact O-CA 3.25Å; E373-T514 PolarHBondContact O-OG1 3.02Å; E373-A515 PolarHBondContact O-N 2.87Å; E373-A515 VanDerWaalsContact O-N 3.09Å; E373-D530 HydrophobicContact CG-CB 4.16Å; E373-R531 WeakPolarHBondContact OE1-CD 3.47Å; E373-R531 WeakPolarHBondContact OE1-CG 3.29Å; E373-R531 IonicContact OE2-NH1 3.46Å
374I92.4Very high89.2Confident1 Ų124.4 Ų24.41%0.00514%0.136CC..EExtended strand (participates in β ladder)trans-107.5115.6170.7-56.9174.3000109.9V376 K505 I508 A515 V517 L528 D530 R531I374-V376 HydrophobicContact CG2-CG2 4.36Å; I374-K505 HydrophobicContact CD1-CB 4.25Å; I374-K505 HydrophobicContact CD1-CG 4.16Å; I374-I508 HydrophobicContact CD1-CB 4.26Å; I374-I508 HydrophobicContact CD1-CG2 4.23Å; I374-I508 HydrophobicContact CG1-CB 4.34Å; I374-I508 HydrophobicContact CG1-CG2 3.81Å; I374-A515 WeakPolarHBondContact CA-O 3.42Å; I374-A515 HydrophobicContact CG1-CB 4.43Å; I374-V517 HydrophobicContact CG2-CG2 4.05Å; I374-L528 VanDerWaalsContact CB-O 3.31Å; I374-L528 WeakPolarHBondContact CB-O 3.47Å; I374-L528 HydrophobicContact CD1-CD2 4.46Å; I374-L528 HydrophobicContact CG2-CB 4.2Å; I374-L528 WeakPolarHBondContact CG2-O 3.46Å; I374-D530 PolarHBondContact N-OD2 3.44Å; I374-D530 PolarHBondContact O-N 3.14Å; I374-R531 PolarHBondContact O-N 3.21Å
375M93.7Very high89Confident0 Ų024.8 Ų24.80%014%0.137CC..EExtended strand (participates in β ladder)trans-99121.5173-70.1-164.8-72.700110.9F369 E373 A515 F516 V517 R531 I533 P548F369-M375 HydrophobicContact CB-CE 3.21Å; F369-M375 HydrophobicContact CB-SD 3.92Å; F369-M375 HydrophobicContact CD1-CE 4.28Å; F369-M375 HydrophobicContact CG-CE 3.83Å; E373-M375 HydrophobicContact CG-CG 4.34Å; M375-A515 PolarHBondContact N-O 3.07Å; M375-F516 HydrophobicContact CB-CD1 4.22Å; M375-F516 HydrophobicContact CE-CD1 3.64Å; M375-F516 HydrophobicContact CE-CD2 4.26Å; M375-F516 HydrophobicContact CE-CE1 3.02Å; M375-F516 HydrophobicContact CE-CE2 3.67Å; M375-F516 HydrophobicContact CE-CG 4.26Å; M375-F516 HydrophobicContact CE-CZ 3.03Å; M375-F516 CarbonylContact O-C 3.57Å; M375-F516 WeakPolarHBondContact O-CA 3.34Å; M375-F516 HydrophobicContact SD-CE1 4.28Å; M375-V517 PolarHBondContact O-N 3.09Å; M375-R531 WeakPolarHBondContact CA-O 3.44Å; M375-R531 HydrophobicContact CG-CB 4.17Å; M375-I533 HydrophobicContact SD-CD1 4.05Å; M375-P548 HydrophobicContact SD-CB 3.76Å; M375-P548 HydrophobicContact SD-CG 3.75Å
376V95.1Very high88.8Confident0 Ų023.6 Ų23.60%013%0.132CC..EExtended strand (participates in β ladder)trans-99.3129.71761760000110.4I374 L378 V517 E519 A525 L528 A529 R531 V532 I533I374-V376 HydrophobicContact CG2-CG2 4.36Å; V376-L378 HydrophobicContact CG1-CD2 3.85Å; V376-L378 HydrophobicContact CG1-CG 4.13Å; V376-V517 CarbonylContact C-O 3.57Å; V376-V517 VanDerWaalsContact CA-O 3.27Å; V376-V517 WeakPolarHBondContact CA-O 3.3Å; V376-V517 HydrophobicContact CG2-CB 4.34Å; V376-E519 HydrophobicContact CG1-CB 4.44Å; V376-A525 HydrophobicContact CG1-CB 3.94Å; V376-L528 HydrophobicContact CG2-CB 4.11Å; V376-A529 HydrophobicContact CB-CB 3.8Å; V376-A529 HydrophobicContact CG2-CB 3.5Å; V376-A529 VanDerWaalsContact CG2-CB 3.5Å; V376-R531 PolarHBondContact N-O 3.1Å; V376-V532 CarbonylContact O-C 3.59Å; V376-V532 VanDerWaalsContact O-CA 3.29Å; V376-V532 WeakPolarHBondContact O-CA 3.36Å; V376-I533 PolarHBondContact O-N 3.36Å
377M94.6Very high88.7Confident0 Ų019 Ų190%011%0.112CC..EExtended strand (participates in β ladder)trans-95.8121.7175.1-63.1-175.3-170.400110.1F388 I389 L392 F516 V517 V518 I533 F535M377-F388 HydrophobicContact CE-CD1 3.25Å; M377-F388 HydrophobicContact CE-CE1 3.47Å; M377-F388 VanDerWaalsContact CE-CE1 3.47Å; M377-F388 HydrophobicContact CE-CG 4.2Å; M377-F388 HydrophobicContact SD-CD1 3.72Å; M377-F388 HydrophobicContact SD-CE1 4.36Å; M377-I389 HydrophobicContact CE-CG1 3.87Å; M377-I389 HydrophobicContact SD-CD1 4.45Å; M377-I389 HydrophobicContact SD-CG1 4Å; M377-L392 HydrophobicContact CE-CD1 4.07Å; M377-F516 HydrophobicContact CE-CB 4.03Å; M377-F516 HydrophobicContact CE-CD1 3.41Å; M377-F516 VanDerWaalsContact CE-CD1 3.41Å; M377-F516 HydrophobicContact CE-CE1 4.19Å; M377-F516 HydrophobicContact CE-CG 4.13Å; M377-V517 PolarHBondContact N-O 2.84Å; M377-V518 HydrophobicContact CB-CG2 3.8Å; M377-V518 HydrophobicContact CG-CG2 4.25Å; M377-V518 HydrophobicContact SD-CG2 3.77Å; M377-I533 WeakPolarHBondContact CA-O 3.33Å; M377-I533 HydrophobicContact CG-CB 4.28Å; M377-F535 HydrophobicContact CB-CE2 3.97Å; M377-F535 HydrophobicContact CG-CE2 4.1Å; M377-F535 HydrophobicContact SD-CE2 4.03Å; M377-F535 HydrophobicContact SD-CZ 4.19Å
378L91.4Very high88.8Confident3 Ų318.7 Ų18.72%0.01611%0.109CC..EExtended strand (participates in β ladder)trans-117.8144.2178.4-61.5179.9000111V376 E519 A525 V532 I533 F535 M555 F558V376-L378 HydrophobicContact CG1-CD2 3.85Å; V376-L378 HydrophobicContact CG1-CG 4.13Å; L378-E519 WeakPolarHBondContact CD2-O 3.36Å; L378-A525 HydrophobicContact CD2-CB 4.04Å; L378-V532 HydrophobicContact CB-CG1 4.43Å; L378-V532 HydrophobicContact CD1-CG1 3.69Å; L378-V532 HydrophobicContact CG-CG1 3.99Å; L378-I533 PolarHBondContact N-O 2.86Å; L378-F535 PolarHBondContact O-N 3.35Å; L378-M555 HydrophobicContact CD1-SD 3.46Å; L378-M555 WeakPolarHBondContact CD1-SD 3.35Å; L378-F558 HydrophobicContact CB-CD1 4.27Å; L378-F558 HydrophobicContact CB-CD2 4.15Å; L378-F558 HydrophobicContact CB-CE1 4.37Å; L378-F558 HydrophobicContact CB-CE2 4.26Å; L378-F558 HydrophobicContact CB-CG 4.15Å; L378-F558 HydrophobicContact CB-CZ 4.35Å; L378-F558 HydrophobicContact CD1-CD1 3.97Å; L378-F558 HydrophobicContact CD1-CE1 4.42Å; L378-F558 HydrophobicContact CD1-CG 4.33Å
379G88.6Confident88.8Confident1 Ų114 Ų141%0.019%0.087CC..  trans167168.3178.700000112.5K385 H520G379-K385 PolarHBondContact O-NZ 3.28Å; G379-H520 PolarHBondContact O-CE1 2.76Å
380E86.6Confident88.8Confident42 Ų4219.6 Ų19.620%0.19611%0.108CC..  trans-65.9164.4172.4-64.8-174.2-159.900112K250 T383 K385 P539K250-E380 HydrophobicContact CB-CG 4.49Å; K250-E380 HydrophobicContact CD-CG 4.4Å; K250-E380 WeakPolarHBondContact CD-OE1 3.43Å; K250-E380 IonicContact NZ-OE1 3.39Å; K250-E380 PolarHBondContact NZ-OE1 3.41Å; K250-E380 IonicContact NZ-OE2 3.95Å; E380-T383 HydrophobicContact CB-CG2 3.93Å; E380-T383 WeakPolarHBondContact O-CG2 3.44Å; E380-T383 PolarHBondContact O-OG1 2.76Å; E380-K385 PolarHBondContact O-NZ 2.86Å; E380-P539 HydrophobicContact CB-CG 4.07Å; E380-P539 WeakPolarHBondContact OE2-CG 3.07Å
381N85.8Confident89Confident49 Ų4919 Ų1926%0.26211%0.105SC..THydrogen-bonded Turntrans-67.1139.4172.2-77.7-16.2000110.2Y246 D248 H520 P539Y246-N381 PolarHBondContact O-ND2 3.49Å; D248-N381 HydrophobicContact CB-CB 4.27Å; D248-N381 PolarHBondContact N-ND2 2.85Å; D248-N381 PolarHBondContact OD2-N 3.05Å; N381-H520 PolarHBondContact OD1-CE1 2.82Å; N381-H520 VanDerWaalsContact OD1-CE1 3.26Å; N381-H520 PolarHBondContact OD1-NE2 3.36Å; N381-P539 WeakPolarHBondContact O-CB 3.3Å
382G82.6Confident89.2Confident38 Ų3818.3 Ų18.339%0.39210%0.101SC..THydrogen-bonded Turntrans8211.9-177.900000115F360 G384 S540F360-G382 WeakPolarHBondContact CE2-O 3.17Å; G382-G384 VanDerWaalsContact C-N 3.34Å; G382-S540 PolarHBondContact O-N 3Å
383T86.8Confident89.3Confident3 Ų318.3 Ų18.32%0.01810%0.102CC..SBendtrans-85.3-1.9173.561.80000114.7E380 F535 T543E380-T383 HydrophobicContact CB-CG2 3.93Å; E380-T383 WeakPolarHBondContact O-CG2 3.44Å; E380-T383 PolarHBondContact O-OG1 2.76Å; T383-F535 HydrophobicContact CG2-CB 4.44Å; T383-F535 VanDerWaalsContact O-CD1 3.28Å; T383-F535 WeakPolarHBondContact O-CD1 3.1Å; T383-T543 HydrophobicContact CG2-CG2 4.13Å; T383-T543 WeakPolarHBondContact O-CB 3.39Å; T383-T543 PolarHBondContact O-OG1 3.29Å
384G86.9Confident89.2Confident7 Ų720.4 Ų20.47%0.07213%0.129CC..SBendtrans92.612.5177.100000115.8G382 T386 T387 F388G382-G384 VanDerWaalsContact C-N 3.34Å; G384-T386 PolarHBondContact O-N 2.8Å; G384-T387 CarbonylContact O-C 3.58Å; G384-T387 WeakPolarHBondContact O-CA 3.44Å; G384-T387 VanDerWaalsContact O-CB 3.25Å; G384-T387 WeakPolarHBondContact O-CB 3.39Å; G384-T387 PolarHBondContact O-N 2.74Å; G384-F388 PolarHBondContact O-N 3.13Å
385K90.4Very high88.9Confident9 Ų928.5 Ų28.54%0.03916%0.16CC..Hα-helixtrans-51.5-52.9176.3-57.4-173-63.5-93.40113.1G379 E380 T387 F388 I389 V518 H520 F535G379-K385 PolarHBondContact O-NZ 3.28Å; E380-K385 PolarHBondContact O-NZ 2.86Å; K385-T387 VanDerWaalsContact C-N 3.28Å; K385-T387 PolarHBondContact O-N 3.49Å; K385-F388 PolarHBondContact O-N 3.09Å; K385-I389 PolarHBondContact O-N 2.89Å; K385-V518 HydrophobicContact CB-CG1 4.15Å; K385-V518 HydrophobicContact CB-CG2 3.98Å; K385-V518 HydrophobicContact CD-CG1 3.99Å; K385-H520 PolarHBondContact NZ-CE1 2.65Å; K385-H520 PolarHBondContact NZ-NE2 3.43Å; K385-F535 HydrophobicContact CB-CE2 4.48Å; K385-F535 HydrophobicContact CB-CZ 4.35Å; K385-F535 HydrophobicContact CD-CD2 4.5Å; K385-F535 HydrophobicContact CG-CD1 4.26Å; K385-F535 HydrophobicContact CG-CD2 3.87Å; K385-F535 HydrophobicContact CG-CE1 4.28Å; K385-F535 HydrophobicContact CG-CE2 3.93Å; K385-F535 HydrophobicContact CG-CG 4.04Å; K385-F535 HydrophobicContact CG-CZ 4.12Å
386T89.4Confident88.5Confident29 Ų2930.9 Ų30.918%0.17817%0.172CC..Hα-helixtrans-64.3-32.8175.6-56.90000112.2G384 R390 D486G384-T386 PolarHBondContact O-N 2.8Å; T386-R390 VanDerWaalsContact O-CG 3.27Å; T386-R390 WeakPolarHBondContact O-CG 3.14Å; T386-R390 PolarHBondContact O-N 3.05Å; T386-D486 WeakPolarHBondContact CB-OD2 3.4Å; T386-D486 VanDerWaalsContact CG2-OD2 3.24Å; T386-D486 WeakPolarHBondContact CG2-OD2 3.31Å; T386-D486 PolarHBondContact OG1-OD2 3.26Å
387T90.1Very high88.1Confident17 Ų1738.7 Ų38.710%0.10421%0.206CC..Hα-helixtrans-64.3-46.2175-49.80000110.4K355 M357 L362 G384 K385 I389 R390 M391 L396K355-T387 HydrophobicContact CG-CG2 4.29Å; M357-T387 HydrophobicContact CE-CG2 3.68Å; M357-T387 WeakPolarHBondContact CE-OG1 3.42Å; M357-T387 HydrophobicContact SD-CG2 3.97Å; L362-T387 HydrophobicContact CD2-CG2 4.03Å; G384-T387 CarbonylContact O-C 3.58Å; G384-T387 WeakPolarHBondContact O-CA 3.44Å; G384-T387 VanDerWaalsContact O-CB 3.25Å; G384-T387 WeakPolarHBondContact O-CB 3.39Å; G384-T387 PolarHBondContact O-N 2.74Å; K385-T387 VanDerWaalsContact C-N 3.28Å; K385-T387 PolarHBondContact O-N 3.49Å; T387-I389 PolarHBondContact O-N 2.92Å; T387-R390 PolarHBondContact O-N 3.35Å; T387-R390 VanDerWaalsContact O-N 3.13Å; T387-M391 HydrophobicContact CG2-SD 4.4Å; T387-M391 WeakPolarHBondContact O-CG 3.42Å; T387-M391 PolarHBondContact O-N 3.24Å; T387-L396 HydrophobicContact CG2-CD2 3.53Å
388F91.4Very high87.7Confident0 Ų040.4 Ų40.40%022%0.217CC..Hα-helixtrans-61.7-45.4177.3-178-146000111.8Y350 M353 I364 M377 G384 K385 R390 M391 L392 I533 F535Y350-F388 HydrophobicContact CD2-CZ 4.24Å; Y350-F388 HydrophobicContact CE1-CZ 4.45Å; Y350-F388 HydrophobicContact CE2-CE2 4.47Å; Y350-F388 AromaticContact CE2-CZ 3.83Å; Y350-F388 HydrophobicContact CE2-CZ 3.83Å; Y350-F388 AromaticContact CZ-CZ 3.94Å; M353-F388 HydrophobicContact CE-CE2 4.03Å; I364-F388 HydrophobicContact CD1-CB 4.37Å; I364-F388 HydrophobicContact CD1-CD2 3.37Å; I364-F388 HydrophobicContact CD1-CE2 3.9Å; I364-F388 HydrophobicContact CD1-CG 4.09Å; I364-F388 HydrophobicContact CG1-CD2 3.98Å; I364-F388 HydrophobicContact CG1-CE2 4.32Å; I364-F388 HydrophobicContact CG1-CG 4.38Å; I364-F388 HydrophobicContact CG2-CD2 4.21Å; I364-F388 HydrophobicContact CG2-CE2 3.69Å; I364-F388 HydrophobicContact CG2-CZ 3.92Å; M377-F388 HydrophobicContact CE-CD1 3.25Å; M377-F388 HydrophobicContact CE-CE1 3.47Å; M377-F388 VanDerWaalsContact CE-CE1 3.47Å; M377-F388 HydrophobicContact CE-CG 4.2Å; M377-F388 HydrophobicContact SD-CD1 3.72Å; M377-F388 HydrophobicContact SD-CE1 4.36Å; G384-F388 PolarHBondContact O-N 3.13Å; K385-F388 PolarHBondContact O-N 3.09Å; F388-R390 VanDerWaalsContact C-N 3.29Å; F388-R390 PolarHBondContact O-N 2.97Å; F388-M391 WeakPolarHBondContact O-CB 3.42Å; F388-M391 PolarHBondContact O-N 3.17Å; F388-M391 VanDerWaalsContact O-N 3.08Å; F388-L392 HydrophobicContact CD2-CD1 4.37Å; F388-L392 HydrophobicContact CD2-CG 4.14Å; F388-L392 HydrophobicContact CE1-CD1 4.18Å; F388-L392 HydrophobicContact CE2-CD1 4Å; F388-L392 HydrophobicContact CE2-CD2 3.96Å; F388-L392 HydrophobicContact CE2-CG 3.81Å; F388-L392 HydrophobicContact CZ-CD1 3.91Å; F388-L392 HydrophobicContact CZ-CD2 4.31Å; F388-L392 HydrophobicContact CZ-CG 4.21Å; F388-L392 PolarHBondContact O-N 3.08Å; F388-I533 HydrophobicContact CE1-CD1 4.13Å; F388-F535 HydrophobicContact CB-CE1 4.39Å; F388-F535 HydrophobicContact CB-CZ 3.99Å; F388-F535 HydrophobicContact CD1-CE2 4.49Å; F388-F535 AromaticContact CD1-CZ 3.82Å; F388-F535 HydrophobicContact CD1-CZ 3.82Å; F388-F535 HydrophobicContact CG-CZ 4.32Å
389I90.9Very high87.6Confident0 Ų044.3 Ų44.30%024%0.238CC..Hα-helixtrans-57.7-40.6173.2-80.3-169.6000112.1M377 K385 T387 M391 L392 A393 Y411 L484 D486 V518M377-I389 HydrophobicContact CE-CG1 3.87Å; M377-I389 HydrophobicContact SD-CD1 4.45Å; M377-I389 HydrophobicContact SD-CG1 4Å; K385-I389 PolarHBondContact O-N 2.89Å; T387-I389 PolarHBondContact O-N 2.92Å; I389-M391 VanDerWaalsContact C-N 3.28Å; I389-M391 PolarHBondContact O-N 2.92Å; I389-L392 PolarHBondContact O-N 3.48Å; I389-A393 VanDerWaalsContact O-CB 3.32Å; I389-A393 WeakPolarHBondContact O-CB 3.34Å; I389-A393 PolarHBondContact O-N 3.28Å; I389-Y411 HydrophobicContact CG2-CD2 3.77Å; I389-Y411 HydrophobicContact CG2-CE2 3.31Å; I389-L484 HydrophobicContact CG2-CB 4.03Å; I389-L484 HydrophobicContact CG2-CD1 4.16Å; I389-L484 WeakPolarHBondContact O-CD1 3.28Å; I389-D486 HydrophobicContact CD1-CB 4.23Å; I389-V518 HydrophobicContact CD1-CB 4.25Å; I389-V518 HydrophobicContact CD1-CG2 3.36Å; I389-V518 HydrophobicContact CG1-CG2 4.14Å
390R89Confident87.4Confident121 Ų12149.7 Ų49.746%0.45726%0.263SS..Hα-helixtrans-67.7-30.8177.8-73.9173.3-175-179.66.5112.6T386 T387 F388 A393 G394 R395 L396T386-R390 VanDerWaalsContact O-CG 3.27Å; T386-R390 WeakPolarHBondContact O-CG 3.14Å; T386-R390 PolarHBondContact O-N 3.05Å; T387-R390 PolarHBondContact O-N 3.35Å; T387-R390 VanDerWaalsContact O-N 3.13Å; F388-R390 VanDerWaalsContact C-N 3.29Å; F388-R390 PolarHBondContact O-N 2.97Å; R390-A393 PolarHBondContact O-N 3.14Å; R390-G394 PolarHBondContact O-N 3.33Å; R390-R395 PolarHBondContact O-N 3.18Å; R390-L396 HydrophobicContact CB-CB 4.13Å; R390-L396 PolarHBondContact O-N 3.37Å
391M88.8Confident86.5Confident5 Ų550 Ų503%0.02528%0.277CS..Hα-helixtrans-68.5-47.3173.2-67.1171.161.700110.8M353 K355 I364 T387 F388 I389 A393 G394 L396 P398M353-M391 HydrophobicContact CB-CE 3.93Å; M353-M391 HydrophobicContact CG-CE 4.41Å; M353-M391 HydrophobicContact SD-CE 3.76Å; K355-M391 HydrophobicContact CB-CE 4.43Å; K355-M391 HydrophobicContact CB-SD 3.95Å; K355-M391 HydrophobicContact CG-SD 4.29Å; I364-M391 HydrophobicContact CD1-CE 3.68Å; I364-M391 HydrophobicContact CD1-SD 3.78Å; T387-M391 HydrophobicContact CG2-SD 4.4Å; T387-M391 WeakPolarHBondContact O-CG 3.42Å; T387-M391 PolarHBondContact O-N 3.24Å; F388-M391 WeakPolarHBondContact O-CB 3.42Å; F388-M391 PolarHBondContact O-N 3.17Å; F388-M391 VanDerWaalsContact O-N 3.08Å; I389-M391 VanDerWaalsContact C-N 3.28Å; I389-M391 PolarHBondContact O-N 2.92Å; M391-A393 PolarHBondContact O-N 3.44Å; M391-G394 PolarHBondContact O-N 2.89Å; M391-L396 WeakPolarHBondContact CA-O 3.25Å; M391-L396 HydrophobicContact CG-CB 4.1Å; M391-L396 HydrophobicContact CG-CD2 4.08Å; M391-L396 HydrophobicContact CG-CG 4.28Å; M391-P398 HydrophobicContact CE-CB 3.63Å; M391-P398 HydrophobicContact CE-CG 4.39Å
392L87.4Confident85.7Confident15 Ų1549.4 Ų49.48%0.07928%0.283CS..Hα-helixtrans-60.2-33.5173-68.6177.8000112.7M377 F388 I389 G394 V404 L484 F516M377-L392 HydrophobicContact CE-CD1 4.07Å; F388-L392 HydrophobicContact CD2-CD1 4.37Å; F388-L392 HydrophobicContact CD2-CG 4.14Å; F388-L392 HydrophobicContact CE1-CD1 4.18Å; F388-L392 HydrophobicContact CE2-CD1 4Å; F388-L392 HydrophobicContact CE2-CD2 3.96Å; F388-L392 HydrophobicContact CE2-CG 3.81Å; F388-L392 HydrophobicContact CZ-CD1 3.91Å; F388-L392 HydrophobicContact CZ-CD2 4.31Å; F388-L392 HydrophobicContact CZ-CG 4.21Å; F388-L392 PolarHBondContact O-N 3.08Å; I389-L392 PolarHBondContact O-N 3.48Å; L392-G394 PolarHBondContact O-N 2.81Å; L392-V404 HydrophobicContact CD2-CG1 3.85Å; L392-V404 HydrophobicContact CD2-CG2 4.39Å; L392-L484 HydrophobicContact CB-CD1 3.93Å; L392-L484 HydrophobicContact CB-CD2 4.23Å; L392-L484 HydrophobicContact CD1-CD2 4.24Å; L392-F516 HydrophobicContact CD1-CD1 3.73Å; L392-F516 HydrophobicContact CD1-CD2 4.3Å; L392-F516 HydrophobicContact CD1-CE1 3.49Å; L392-F516 VanDerWaalsContact CD1-CE1 3.49Å; L392-F516 HydrophobicContact CD1-CE2 4.18Å; L392-F516 HydrophobicContact CD1-CG 4.08Å; L392-F516 HydrophobicContact CD1-CZ 3.74Å
393A86.3Confident84.8Confident22 Ų2255.6 Ų55.618%0.18230%0.302CS..THydrogen-bonded Turntrans-75.5-2.417600000114.3I389 R390 M391 R395 V409 L484I389-A393 VanDerWaalsContact O-CB 3.32Å; I389-A393 WeakPolarHBondContact O-CB 3.34Å; I389-A393 PolarHBondContact O-N 3.28Å; R390-A393 PolarHBondContact O-N 3.14Å; M391-A393 PolarHBondContact O-N 3.44Å; A393-R395 HydrophobicContact CB-CG 4.17Å; A393-R395 PolarHBondContact O-N 2.78Å; A393-V409 HydrophobicContact CB-CG1 4.44Å; A393-L484 HydrophobicContact CB-CD1 3.68Å
394G84.9Confident84.1Confident66 Ų6657.1 Ų57.168%0.6831%0.311SS*.THydrogen-bonded Turntrans6712.9-174.300000114.5R390 M391 L392R390-G394 PolarHBondContact O-N 3.33Å; M391-G394 PolarHBondContact O-N 2.89Å; L392-G394 PolarHBondContact O-N 2.81Å
395R85.4Confident83.2Confident172 Ų17258.9 Ų58.965%0.64932%0.321SS*.SBendtrans-86.1-18.8179.2-67.5-172178.5-174.82.3113.1R390 A393R390-R395 PolarHBondContact O-N 3.18Å; A393-R395 HydrophobicContact CB-CG 4.17Å; A393-R395 PolarHBondContact O-N 2.78Å
396L85.6Confident82.2Confident50 Ų5066.6 Ų66.626%0.26236%0.361SS..SBendtrans-134.7129.5177.9-171.469.2000108.3K355 M357 T387 R390 M391K355-L396 HydrophobicContact CD-CD2 4.16Å; K355-L396 HydrophobicContact CD-CG 4.33Å; K355-L396 HydrophobicContact CG-CD2 4.22Å; M357-L396 HydrophobicContact SD-CD2 4.33Å; T387-L396 HydrophobicContact CG2-CD2 3.53Å; R390-L396 HydrophobicContact CB-CB 4.13Å; R390-L396 PolarHBondContact O-N 3.37Å; M391-L396 WeakPolarHBondContact CA-O 3.25Å; M391-L396 HydrophobicContact CG-CB 4.1Å; M391-L396 HydrophobicContact CG-CD2 4.08Å; M391-L396 HydrophobicContact CG-CG 4.28Å
397K86.4Confident81.7Confident163 Ų16367 Ų6771%0.70936%0.362SS*.  trans-86.3141.2176-65.1-171.7175.7-167.30110.6K355K355-K397 VanDerWaalsContact CD-O 3.28Å; K355-K397 WeakPolarHBondContact CD-O 3.43Å; K355-K397 WeakPolarHBondContact CE-O 3.49Å; K355-K397 PolarHBondContact NZ-O 3.32Å
398P88.1Confident81.5Confident36 Ų3670.4 Ų70.423%0.23438%0.379CS..  trans-59.1153.8166.124.9-30.9000110.5M353 M391 E400M353-P398 HydrophobicContact CB-CB 4.18Å; M353-P398 HydrophobicContact CG-CB 4.18Å; M353-P398 HydrophobicContact CG-CG 4.43Å; M353-P398 HydrophobicContact SD-CB 4.37Å; M353-P398 HydrophobicContact SD-CG 4.29Å; M391-P398 HydrophobicContact CE-CB 3.63Å; M391-P398 HydrophobicContact CE-CG 4.39Å; P398-E400 WeakPolarHBondContact CB-O 3.31Å
399D88.3Confident81.5Confident86 Ų8672.4 Ų72.446%0.4639%0.392SS..SBendtrans-86-36.7170.9-60.1-43.9000110.6K354 K355 N356K354-D399 PolarHBondContact O-N 3.04Å; K355-D399 WeakPolarHBondContact CA-OD2 3.36Å; K355-D399 WeakPolarHBondContact CD-OD2 3.43Å; K355-D399 WeakPolarHBondContact CE-OD2 3.45Å; K355-D399 VanDerWaalsContact NZ-CG 3.3Å; K355-D399 IonicContact NZ-OD1 3.31Å; K355-D399 PolarHBondContact NZ-OD1 3.46Å; K355-D399 IonicContact NZ-OD2 2.78Å; K355-D399 PolarHBondContact NZ-OD2 3.35Å; N356-D399 PolarHBondContact N-OD2 2.97Å
400E84.1Confident81.6Confident114 Ų11472.6 Ų72.653%0.53339%0.393SS..EExtended strand (participates in β ladder)trans-131.6147.6172-55.3177.3178.800109.6M353 K354 P398M353-E400 CarbonylContact C-O 3.58Å; M353-E400 VanDerWaalsContact CA-O 3.32Å; M353-E400 WeakPolarHBondContact CA-O 3.26Å; K354-E400 HydrophobicContact CB-CB 4.18Å; K354-E400 PolarHBondContact N-O 3.25Å; K354-E400 PolarHBondContact O-N 3.11Å; P398-E400 WeakPolarHBondContact CB-O 3.31Å
401G68.6Low81.8Confident47 Ų4768 Ų6849%0.48538%0.376SS..EExtended strand (participates in β ladder)trans105.6157.2-177.800000113.9H352H352-G401 WeakPolarHBondContact O-CA 3.37Å
402G67.5Low82.1Confident37 Ų3767.9 Ų67.938%0.38138%0.375SS..PPolyproline II helixtrans-71.2173.8-17300000114.8
403E65.6Low82.1Confident169 Ų16969.5 Ų69.579%0.7939%0.386SS*.PPolyproline II helixtrans-75.8135177.8-66.8-169.9154.500111.5
404V70.3Confident81.9Confident35 Ų3571.5 Ų71.521%0.21239%0.392CS..PPolyproline II helixtrans-64.1141.8170.8-176.50000108.5M353 L392 I406M353-V404 HydrophobicContact CE-CG2 4.15Å; M353-V404 HydrophobicContact SD-CG2 3.83Å; L392-V404 HydrophobicContact CD2-CG1 3.85Å; L392-V404 HydrophobicContact CD2-CG2 4.39Å; V404-I406 PolarHBondContact O-N 3.46Å
405P68.1Low81.7Confident44 Ų4477.1 Ų77.129%0.28640%0.397SS..PPolyproline II helixtrans-52.6137177.717.5-31.1000112.2L407P405-L407 VanDerWaalsContact C-N 3.33Å; P405-L407 HydrophobicContact CB-CG 4.4Å; P405-L407 HydrophobicContact CG-CD1 4.38Å; P405-L407 PolarHBondContact O-N 3Å
406I69.9Low81.5Confident171 Ų17171.2 Ų71.288%0.87738%0.378SS*.  trans-71.989.5179.6-54.5171.5000108.4V404V404-I406 PolarHBondContact O-N 3.46Å
407L78.6Confident81.2Confident37 Ų3771.8 Ų71.819%0.19439%0.387CS..  trans-109152.5174.9-66172.1000109.9Y348 F369 P405 V409 D481 V482Y348-L407 HydrophobicContact CD1-CD1 4.04Å; Y348-L407 HydrophobicContact CD1-CD2 4.34Å; Y348-L407 HydrophobicContact CE1-CD1 4.17Å; Y348-L407 HydrophobicContact CE1-CD2 3.74Å; Y348-L407 HydrophobicContact CG-CD1 4.36Å; F369-L407 HydrophobicContact CE2-CD1 4.22Å; F369-L407 HydrophobicContact CZ-CD1 3.95Å; P405-L407 VanDerWaalsContact C-N 3.33Å; P405-L407 HydrophobicContact CB-CG 4.4Å; P405-L407 HydrophobicContact CG-CD1 4.38Å; P405-L407 PolarHBondContact O-N 3Å; L407-V409 PolarHBondContact O-N 3.37Å; L407-D481 HydrophobicContact CB-CB 4.39Å; L407-D481 HydrophobicContact CD2-CB 4.3Å; L407-V482 HydrophobicContact CB-CG2 3.98Å; L407-V482 HydrophobicContact CD1-CG2 3.47Å; L407-V482 VanDerWaalsContact CD1-CG2 3.47Å; L407-V482 HydrophobicContact CG-CG2 4.34Å
408N87.1Confident80.9Confident88 Ų8866.6 Ų66.647%0.47137%0.37SS..  trans-75.9118171.6-174.811.9000108.8P479 A480 D481 V482N408-P479 PolarHBondContact ND2-O 2.98Å; N408-A480 CarbonylContact O-C 3.46Å; N408-A480 WeakPolarHBondContact O-CA 3.27Å; N408-A480 WeakPolarHBondContact O-CB 3.47Å; N408-D481 PolarHBondContact N-OD2 2.88Å; N408-D481 PolarHBondContact O-N 2.82Å; N408-V482 PolarHBondContact O-N 3.21Å
409V90.3Very high80.7Confident43 Ų4373.1 Ų73.126%0.26139%0.394SS..EExtended strand (participates in β ladder)trans-110.7129.7-172.2-179.30000111.2A393 L407 V482 L484A393-V409 HydrophobicContact CB-CG1 4.44Å; L407-V409 PolarHBondContact O-N 3.37Å; V409-V482 WeakPolarHBondContact CA-O 3.44Å; V409-V482 HydrophobicContact CG2-CB 4.38Å; V409-L484 HydrophobicContact CG1-CB 4.46Å; V409-L484 HydrophobicContact CG1-CD1 3.39Å; V409-L484 HydrophobicContact CG1-CG 3.65Å
410S94.1Very high80.6Confident3 Ų371.4 Ų71.42%0.02138%0.383CS..EExtended strand (participates in β ladder)trans-102.4129.2164.6-171.20000109.6C475 A480 V482 L484S410-C475 WeakPolarHBondContact CB-O 3.2Å; S410-C475 PolarHBondContact OG-O 3.41Å; S410-C475 PolarHBondContact OG-SG 3.13Å; S410-A480 VanDerWaalsContact N-CB 3.33Å; S410-V482 PolarHBondContact N-O 3.19Å; S410-L484 PolarHBondContact O-N 2.76Å
411Y93.1Very high80.8Confident26 Ų2674.7 Ų74.710%0.10240%0.395CS..EExtended strand (participates in β ladder)trans-124.1124.5-174.8174.4-127.1000112.5I389 P413 L484 D486I389-Y411 HydrophobicContact CG2-CD2 3.77Å; I389-Y411 HydrophobicContact CG2-CE2 3.31Å; Y411-P413 HydrophobicContact CE1-CB 3.82Å; Y411-L484 WeakPolarHBondContact CA-O 3.42Å; Y411-L484 HydrophobicContact CD2-CB 3.82Å; Y411-L484 WeakPolarHBondContact CD2-O 3.47Å; Y411-D486 HydrophobicContact CE2-CB 4.19Å
412K93.8Very high81.8Confident2 Ų273.7 Ų73.71%0.00939%0.385CS..EExtended strand (participates in β ladder)trans-97.6114.9164.7-177.8-95.4170.3-164.10109.4Q468 M472 C475 L484 I485 D486 E487K412-Q468 VanDerWaalsContact CE-NE2 3.34Å; K412-Q468 VanDerWaalsContact NZ-NE2 3.14Å; K412-M472 HydrophobicContact CD-SD 4.16Å; K412-M472 HydrophobicContact CG-SD 4.03Å; K412-C475 HydrophobicContact CB-CB 3.95Å; K412-L484 PolarHBondContact N-O 3.17Å; K412-I485 HydrophobicContact CB-CG2 4.29Å; K412-I485 HydrophobicContact CD-CG2 4.15Å; K412-D486 WeakPolarHBondContact CD-O 3.29Å; K412-D486 PolarHBondContact NZ-O 3.16Å; K412-D486 WeakPolarHBondContact O-CB 3.35Å; K412-D486 PolarHBondContact O-N 3.09Å; K412-D486 VanDerWaalsContact O-N 3.12Å; K412-E487 PolarHBondContact NZ-O 3.45Å
413P87.8Confident83Confident49 Ų4973.5 Ų73.532%0.31838%0.378SS..  trans-75.2154.9177.331-34.5000112.9Y411Y411-P413 HydrophobicContact CE1-CB 3.82Å
414Q83Confident84.2Confident63 Ų6365.4 Ų65.429%0.29434%0.34SS..SBendtrans-57.9-56.8174.7-167.7-168.919.100111.6D486 E487Q414-D486 HydrophobicContact CB-CB 4.32Å; Q414-E487 HydrophobicContact CG-CB 4.26Å; Q414-E487 HydrophobicContact CG-CG 4.25Å; Q414-E487 VanDerWaalsContact CG-OE2 3.29Å; Q414-E487 WeakPolarHBondContact CG-OE2 3.4Å; Q414-E487 PolarHBondContact NE2-OE1 2.94Å; Q414-E487 PolarHBondContact NE2-OE2 2.82Å
415K80.6Confident85.2Confident184 Ų18469.1 Ų69.180%0.835%0.35SS*.SBendtrans-87116.8178.1-67.1-173.6-179.5-1770110.5
416I81Confident86.3Confident48 Ų4869 Ų6925%0.24635%0.353CS..  trans-105.2127.8174-47.5167.2000108.8L467 Q468 A471I416-L467 HydrophobicContact CB-CD2 4.2Å; I416-L467 HydrophobicContact CB-CG 4.38Å; I416-L467 HydrophobicContact CG2-CD1 4.14Å; I416-L467 HydrophobicContact CG2-CD2 3.73Å; I416-L467 HydrophobicContact CG2-CG 3.66Å; I416-Q468 HydrophobicContact CD1-CB 4.44Å; I416-A471 HydrophobicContact CD1-CB 3.47Å; I416-A471 VanDerWaalsContact CD1-CB 3.47Å; I416-A471 HydrophobicContact CG1-CB 4.27Å; I416-A471 HydrophobicContact CG2-CB 4.37Å
417S78.7Confident87.4Confident63 Ų6361.7 Ų61.744%0.44132%0.316SS..  trans-124.9134.9174.4600000109.2K419S417-K419 VanDerWaalsContact C-N 3.32Å; S417-K419 PolarHBondContact O-N 2.87Å; S417-K419 VanDerWaalsContact OG-CE 3.22Å; S417-K419 WeakPolarHBondContact OG-CE 3.32Å; S417-K419 WeakPolarHBondContact OG-CG 3.4Å
418P80.9Confident88Confident54 Ų5460 Ų6035%0.35131%0.307SS..  trans-75.482.6-179.631.7-34.6000110.7V459 L467P418-V459 HydrophobicContact CB-CG1 3.95Å; P418-V459 WeakPolarHBondContact CB-O 2.99Å; P418-L467 HydrophobicContact CB-CD1 4.38Å; P418-L467 HydrophobicContact CB-CD2 4.33Å; P418-L467 HydrophobicContact CG-CD2 4.44Å
419K84.1Confident88.1Confident173 Ų17360.3 Ų60.375%0.75231%0.305SS*.  trans-84.8-22.9178.7-64.5-175.3-179.1-176.70113.1S417S417-K419 VanDerWaalsContact C-N 3.32Å; S417-K419 PolarHBondContact O-N 2.87Å; S417-K419 VanDerWaalsContact OG-CE 3.22Å; S417-K419 WeakPolarHBondContact OG-CE 3.32Å; S417-K419 WeakPolarHBondContact OG-CG 3.4Å
420F86.1Confident88.2Confident50 Ų5063.6 Ų63.622%0.21932%0.318CS..  trans-73.3130.9-176.1-172.7-101.7000111.2A426 L427 E430 V459F420-A426 HydrophobicContact CE1-CB 4.13Å; F420-A426 HydrophobicContact CZ-CB 4.25Å; F420-L427 HydrophobicContact CB-CD1 4.23Å; F420-L427 HydrophobicContact CB-CD2 4.43Å; F420-L427 HydrophobicContact CD1-CB 3.83Å; F420-L427 HydrophobicContact CD1-CD1 4.22Å; F420-L427 HydrophobicContact CD1-CG 4.41Å; F420-L427 HydrophobicContact CD2-CD1 3.79Å; F420-L427 HydrophobicContact CE1-CB 3.78Å; F420-L427 HydrophobicContact CE2-CD1 4.16Å; F420-L427 HydrophobicContact CG-CB 4.31Å; F420-L427 HydrophobicContact CG-CD1 3.81Å; F420-L427 HydrophobicContact CG-CD2 4.49Å; F420-L427 HydrophobicContact CG-CG 4.43Å; F420-L427 HydrophobicContact CZ-CB 4.24Å; F420-E430 WeakPolarHBondContact CE2-OE2 3.35Å; F420-V459 HydrophobicContact CB-CG1 4.44Å; F420-V459 HydrophobicContact CD1-CG2 3.99Å
421K87.9Confident88Confident183 Ų18368.2 Ų68.280%0.79634%0.337SS*.  trans-97.7100.8175.5-66-176.5-178.9-178.90108.7
422G90.1Very high87.9Confident26 Ų2667.3 Ų67.327%0.26833%0.334SS..SBendtrans150.8-175.5178.700000112.3V459G422-V459 PolarHBondContact O-N 3.32Å
423S91.5Very high87.6Confident32 Ų3274.7 Ų74.722%0.22436%0.362CS..BIsolated β-bridgetrans-75.8157.5178.765.90000112.4R425 A426 L427 Q457S423-R425 PolarHBondContact O-N 3.5Å; S423-A426 PolarHBondContact O-N 3.47Å; S423-A426 VanDerWaalsContact O-N 3.11Å; S423-A426 PolarHBondContact OG-N 2.92Å; S423-L427 PolarHBondContact O-N 2.93Å; S423-L427 VanDerWaalsContact O-N 3.11Å; S423-Q457 CarbonylContact C-O 3.58Å; S423-Q457 VanDerWaalsContact CA-O 3.26Å; S423-Q457 WeakPolarHBondContact CA-O 3.23Å
424V90.3Very high87.5Confident0 Ų078.8 Ų78.80%038%0.381CS..Hα-helixtrans-55.7-40.2171.9175.90000110.5A426 L427 L428 I451 Q457 V459 L462 V470V424-A426 VanDerWaalsContact C-N 3.34Å; V424-A426 PolarHBondContact O-N 3.27Å; V424-L427 WeakPolarHBondContact O-CB 3.39Å; V424-L427 PolarHBondContact O-N 2.94Å; V424-L428 HydrophobicContact CG1-CD1 3.88Å; V424-L428 HydrophobicContact CG1-CG 4.11Å; V424-L428 VanDerWaalsContact O-CG 3.31Å; V424-L428 WeakPolarHBondContact O-CG 3.4Å; V424-L428 PolarHBondContact O-N 3.14Å; V424-I451 HydrophobicContact CG1-CG2 4.35Å; V424-Q457 PolarHBondContact N-O 3.11Å; V424-V459 HydrophobicContact CG2-CG2 3.97Å; V424-L462 HydrophobicContact CG2-CD1 3.7Å; V424-L462 HydrophobicContact CG2-CD2 4.34Å; V424-L462 HydrophobicContact CG2-CG 4.42Å; V424-V470 HydrophobicContact CG1-CG1 4.19Å; V424-V470 HydrophobicContact CG1-CG2 3.92Å; V424-V470 HydrophobicContact CG2-CG2 4.27Å
425R91.6Very high87.7Confident112 Ų11276.8 Ų76.842%0.42338%0.376SS..Hα-helixtrans-54.7-48.2174.9-172174.5-69.9169.67.1112.2S423 L427 L428 H429 I455 D456S423-R425 PolarHBondContact O-N 3.5Å; R425-L427 VanDerWaalsContact C-N 3.33Å; R425-L427 PolarHBondContact O-N 3.38Å; R425-L428 PolarHBondContact O-N 2.95Å; R425-H429 WeakPolarHBondContact O-CB 3.39Å; R425-H429 PolarHBondContact O-N 3.26Å; R425-I455 HydrophobicContact CB-CG1 3.94Å; R425-I455 WeakPolarHBondContact CB-O 3.22Å; R425-I455 HydrophobicContact CG-CG1 4.44Å; R425-I455 PolarHBondContact N-O 2.87Å; R425-D456 IonicContact CZ-OD1 3.59Å; R425-D456 IonicContact NE-OD1 3.54Å; R425-D456 IonicContact NH1-OD1 2.91Å; R425-D456 PolarHBondContact NH1-OD1 3.3Å; R425-D456 IonicContact NH2-OD1 2.73Å; R425-D456 PolarHBondContact NH2-OD1 2.92Å; R425-D456 IonicContact NH2-OD2 3.55Å; R425-D456 PolarHBondContact NH2-OD2 3.04Å
426A92.1Very high87.8Confident43 Ų4370.9 Ų70.936%0.35535%0.349SS..Hα-helixtrans-62.8-42.8179.800000110.9F420 S423 V424 H429 E430F420-A426 HydrophobicContact CE1-CB 4.13Å; F420-A426 HydrophobicContact CZ-CB 4.25Å; S423-A426 PolarHBondContact O-N 3.47Å; S423-A426 VanDerWaalsContact O-N 3.11Å; S423-A426 PolarHBondContact OG-N 2.92Å; V424-A426 VanDerWaalsContact C-N 3.34Å; V424-A426 PolarHBondContact O-N 3.27Å; A426-H429 PolarHBondContact O-N 3.28Å; A426-E430 WeakPolarHBondContact O-CB 3.25Å; A426-E430 PolarHBondContact O-N 3.27Å
427L92.3Very high88Confident17 Ų1773.4 Ų73.49%0.08937%0.366CS..Hα-helixtrans-61.9-45.2177.3-179.360.2000112.6F420 S423 V424 R425 E430 K431 V459 V470 L474F420-L427 HydrophobicContact CB-CD1 4.23Å; F420-L427 HydrophobicContact CB-CD2 4.43Å; F420-L427 HydrophobicContact CD1-CB 3.83Å; F420-L427 HydrophobicContact CD1-CD1 4.22Å; F420-L427 HydrophobicContact CD1-CG 4.41Å; F420-L427 HydrophobicContact CD2-CD1 3.79Å; F420-L427 HydrophobicContact CE1-CB 3.78Å; F420-L427 HydrophobicContact CE2-CD1 4.16Å; F420-L427 HydrophobicContact CG-CB 4.31Å; F420-L427 HydrophobicContact CG-CD1 3.81Å; F420-L427 HydrophobicContact CG-CD2 4.49Å; F420-L427 HydrophobicContact CG-CG 4.43Å; F420-L427 HydrophobicContact CZ-CB 4.24Å; S423-L427 PolarHBondContact O-N 2.93Å; S423-L427 VanDerWaalsContact O-N 3.11Å; V424-L427 WeakPolarHBondContact O-CB 3.39Å; V424-L427 PolarHBondContact O-N 2.94Å; R425-L427 VanDerWaalsContact C-N 3.33Å; R425-L427 PolarHBondContact O-N 3.38Å; L427-E430 PolarHBondContact O-N 2.93Å; L427-K431 HydrophobicContact CD1-CG 4.09Å; L427-K431 WeakPolarHBondContact O-CB 3.28Å; L427-K431 WeakPolarHBondContact O-CG 3.33Å; L427-K431 PolarHBondContact O-N 3.36Å; L427-V459 HydrophobicContact CB-CG2 4.44Å; L427-V459 HydrophobicContact CD2-CG1 4.49Å; L427-V459 HydrophobicContact CD2-CG2 3.9Å; L427-V470 HydrophobicContact CD2-CG1 4.27Å; L427-L474 HydrophobicContact CD2-CD1 3.68Å; L427-L474 HydrophobicContact CG-CD1 3.95Å; L427-L474 HydrophobicContact CG-CD2 4.33Å
428L91.1Very high88.6Confident0 Ų074.9 Ų74.90%037%0.366CS..Hα-helixtrans-66.3-42.5178.2-64174000111.3V424 R425 E430 K431 I432 Y436 M446 I451 I455 L474V424-L428 HydrophobicContact CG1-CD1 3.88Å; V424-L428 HydrophobicContact CG1-CG 4.11Å; V424-L428 VanDerWaalsContact O-CG 3.31Å; V424-L428 WeakPolarHBondContact O-CG 3.4Å; V424-L428 PolarHBondContact O-N 3.14Å; R425-L428 PolarHBondContact O-N 2.95Å; L428-E430 VanDerWaalsContact C-N 3.33Å; L428-E430 PolarHBondContact O-N 3.16Å; L428-K431 PolarHBondContact O-N 3.04Å; L428-I432 HydrophobicContact CB-CG1 4.21Å; L428-I432 HydrophobicContact CD2-CD1 3.78Å; L428-I432 HydrophobicContact CD2-CG1 4.19Å; L428-I432 CarbonylContact O-C 3.49Å; L428-I432 WeakPolarHBondContact O-CA 3.2Å; L428-I432 WeakPolarHBondContact O-CG1 3.34Å; L428-I432 PolarHBondContact O-N 2.75Å; L428-Y436 HydrophobicContact CB-CD2 4.29Å; L428-Y436 HydrophobicContact CD1-CD2 4.19Å; L428-Y436 HydrophobicContact CD1-CE2 4.29Å; L428-M446 HydrophobicContact CD1-CE 3.69Å; L428-M446 HydrophobicContact CD1-SD 4.45Å; L428-I451 HydrophobicContact CD1-CG2 3.94Å; L428-I455 HydrophobicContact CD1-CD1 4.43Å; L428-I455 HydrophobicContact CD1-CG1 4.39Å; L428-L474 HydrophobicContact CD2-CD2 3.78Å; L428-L474 HydrophobicContact CD2-CG 4.06Å
429H90.8Very high89Confident95 Ų9576.8 Ų76.844%0.4438%0.379SS..Hα-helixtrans-66.4-34.4177.8-170.6-78.9000112.4R425 A426 R433R425-H429 WeakPolarHBondContact O-CB 3.39Å; R425-H429 PolarHBondContact O-N 3.26Å; A426-H429 PolarHBondContact O-N 3.28Å; H429-R433 WeakPolarHBondContact O-CB 3.44Å
430E90.8Very high89.2Confident112 Ų11273 Ų7352%0.52336%0.363SS..Hα-helixtrans-70.6-42.2176.3-170.5-164.5128.400112.1F420 A426 L427 L428F420-E430 WeakPolarHBondContact CE2-OE2 3.35Å; A426-E430 WeakPolarHBondContact O-CB 3.25Å; A426-E430 PolarHBondContact O-N 3.27Å; L427-E430 PolarHBondContact O-N 2.93Å; L428-E430 VanDerWaalsContact C-N 3.33Å; L428-E430 PolarHBondContact O-N 3.16Å
431K89.8Confident89.5Confident100 Ų10071.1 Ų71.144%0.43536%0.355SS..Hα-helixtrans-94.8-31.9-170.7-64.9-53.7-171.9-149.50114.9L427 L428 L474L427-K431 HydrophobicContact CD1-CG 4.09Å; L427-K431 WeakPolarHBondContact O-CB 3.28Å; L427-K431 WeakPolarHBondContact O-CG 3.33Å; L427-K431 PolarHBondContact O-N 3.36Å; L428-K431 PolarHBondContact O-N 3.04Å; K431-L474 HydrophobicContact CB-CD2 3.74Å; K431-L474 HydrophobicContact CG-CD2 4.22Å
432I91.2Very high89.6Confident7 Ų764 Ų644%0.03633%0.327CS..  trans-140.941.7-168.762.8160.9000112L428 D434 A435 Y436 F441 L474 G477 K478L428-I432 HydrophobicContact CB-CG1 4.21Å; L428-I432 HydrophobicContact CD2-CD1 3.78Å; L428-I432 HydrophobicContact CD2-CG1 4.19Å; L428-I432 CarbonylContact O-C 3.49Å; L428-I432 WeakPolarHBondContact O-CA 3.2Å; L428-I432 WeakPolarHBondContact O-CG1 3.34Å; L428-I432 PolarHBondContact O-N 2.75Å; I432-D434 VanDerWaalsContact C-N 3.3Å; I432-D434 PolarHBondContact O-N 3.01Å; I432-A435 HydrophobicContact CB-CB 4.35Å; I432-A435 PolarHBondContact O-N 3.39Å; I432-Y436 VanDerWaalsContact O-CB 3.24Å; I432-Y436 WeakPolarHBondContact O-CB 3.25Å; I432-Y436 PolarHBondContact O-N 3.22Å; I432-F441 HydrophobicContact CD1-CE1 4.02Å; I432-F441 HydrophobicContact CD1-CZ 4.3Å; I432-L474 HydrophobicContact CG1-CD2 4.33Å; I432-L474 HydrophobicContact CG2-CD2 4.41Å; I432-G477 WeakPolarHBondContact CG2-O 3.41Å; I432-K478 HydrophobicContact CG2-CG 3.93Å
433R87.7Confident89.6Confident158 Ų15865.9 Ų65.960%0.59633%0.333SS*.Hα-helixtrans-47.3-49.5-174.8-169.5178.6180-170.1-4.4113.4H429 T437H429-R433 WeakPolarHBondContact O-CB 3.44Å; R433-T437 PolarHBondContact O-N 2.86Å; R433-T437 PolarHBondContact O-OG1 3.48Å
434D86.9Confident89.5Confident134 Ų13464.7 Ų64.772%0.71733%0.325SS*.Hα-helixtrans-72-45.1-174-55.3-34.1000111.6I432 Y436 T437 H438I432-D434 VanDerWaalsContact C-N 3.3Å; I432-D434 PolarHBondContact O-N 3.01Å; D434-Y436 PolarHBondContact O-N 3.01Å; D434-T437 PolarHBondContact O-N 2.73Å; D434-T437 PolarHBondContact O-OG1 3.19Å; D434-H438 PolarHBondContact O-N 3.04Å
435A86.3Confident89.6Confident22 Ų2264.7 Ų64.718%0.18233%0.325CS..Hα-helixtrans-65.8-38.3177.600000112.1I432 T437 H438 F441 G477I432-A435 HydrophobicContact CB-CB 4.35Å; I432-A435 PolarHBondContact O-N 3.39Å; A435-T437 PolarHBondContact O-N 2.8Å; A435-H438 WeakPolarHBondContact O-CB 3.32Å; A435-H438 PolarHBondContact O-N 3.44Å; A435-F441 HydrophobicContact CB-CD1 4.26Å; A435-F441 HydrophobicContact CB-CD2 4.39Å; A435-F441 HydrophobicContact CB-CG 4.2Å; A435-F441 WeakPolarHBondContact O-CB 3.31Å; A435-F441 VanDerWaalsContact O-CD1 3.26Å; A435-F441 WeakPolarHBondContact O-CD1 3.43Å; A435-G477 VanDerWaalsContact CB-O 3.27Å; A435-G477 WeakPolarHBondContact CB-O 3.46Å
436Y82.6Confident89.5Confident60 Ų6059.6 Ų59.624%0.23531%0.306CS..Hα-helixtrans-58.7-34.3177.6171.9-106.9000112.7L428 I432 D434 V442 M446 I455L428-Y436 HydrophobicContact CB-CD2 4.29Å; L428-Y436 HydrophobicContact CD1-CD2 4.19Å; L428-Y436 HydrophobicContact CD1-CE2 4.29Å; I432-Y436 VanDerWaalsContact O-CB 3.24Å; I432-Y436 WeakPolarHBondContact O-CB 3.25Å; I432-Y436 PolarHBondContact O-N 3.22Å; D434-Y436 PolarHBondContact O-N 3.01Å; Y436-V442 WeakPolarHBondContact O-CG2 3.5Å; Y436-M446 HydrophobicContact CD2-CE 3.89Å; Y436-M446 HydrophobicContact CE2-CE 3.89Å; Y436-I455 HydrophobicContact CE2-CD1 3.57Å; Y436-I455 VanDerWaalsContact OH-CD1 3.24Å; Y436-I455 WeakPolarHBondContact OH-CD1 3.49Å
437T86Confident89.4Confident100 Ų10063 Ų6361%0.61331%0.312SS*.Hα-helixtrans-84.2-15.4176.649.60000114.2R433 D434 A435 P439R433-T437 PolarHBondContact O-N 2.86Å; R433-T437 PolarHBondContact O-OG1 3.48Å; D434-T437 PolarHBondContact O-N 2.73Å; D434-T437 PolarHBondContact O-OG1 3.19Å; A435-T437 PolarHBondContact O-N 2.8Å; T437-P439 WeakPolarHBondContact O-CD 3.46Å
438H90.5Very high89.3Confident94 Ų9464.6 Ų64.644%0.43532%0.324SS..  trans-74.7121.2-172.9-167.3-98.1000111.7D434 A435 Q440 F441 V442D434-H438 PolarHBondContact O-N 3.04Å; A435-H438 WeakPolarHBondContact O-CB 3.32Å; A435-H438 PolarHBondContact O-N 3.44Å; H438-Q440 VanDerWaalsContact C-N 3.26Å; H438-Q440 WeakPolarHBondContact CE1-CB 3.48Å; H438-Q440 WeakPolarHBondContact ND1-CB 3.42Å; H438-Q440 PolarHBondContact ND1-N 3.13Å; H438-Q440 PolarHBondContact O-N 3.35Å; H438-Q440 VanDerWaalsContact O-N 3.17Å; H438-F441 HydrophobicContact CB-CB 4.15Å; H438-F441 PolarHBondContact O-N 3.2Å; H438-V442 WeakPolarHBondContact O-CG2 3.24Å; H438-V442 PolarHBondContact O-N 2.85Å
439P90Very high89.2Confident94 Ų9464.8 Ų64.861%0.6133%0.325SS*.Hα-helixtrans-58.2-34.6-174.7-26.934.8000114.5T437 T443T437-P439 WeakPolarHBondContact O-CD 3.46Å; P439-T443 WeakPolarHBondContact O-CB 3.2Å; P439-T443 PolarHBondContact O-N 3.36Å; P439-T443 PolarHBondContact O-OG1 3.41Å
440Q88.5Confident89.1Confident93 Ų9365.6 Ų65.644%0.43533%0.329SS..Hα-helixtrans-68.9-42177.6-168.3177.8-2.900111.3H438 V442 T443 D444H438-Q440 VanDerWaalsContact C-N 3.26Å; H438-Q440 WeakPolarHBondContact CE1-CB 3.48Å; H438-Q440 WeakPolarHBondContact ND1-CB 3.42Å; H438-Q440 PolarHBondContact ND1-N 3.13Å; H438-Q440 PolarHBondContact O-N 3.35Å; H438-Q440 VanDerWaalsContact O-N 3.17Å; Q440-V442 VanDerWaalsContact C-N 3.31Å; Q440-V442 PolarHBondContact O-N 3.32Å; Q440-T443 PolarHBondContact O-N 3.16Å; Q440-D444 WeakPolarHBondContact CG-OD2 3.25Å; Q440-D444 VanDerWaalsContact O-CB 3.28Å; Q440-D444 WeakPolarHBondContact O-CB 3.48Å; Q440-D444 VanDerWaalsContact O-CG 3.31Å; Q440-D444 PolarHBondContact O-N 3.14Å
441F90.8Very high89Confident11 Ų1160.3 Ų60.35%0.04830%0.304CS..Hα-helixtrans-66.5-37.8177.9-175-97.8000111.1I432 A435 H438 T443 V445 M446 A473 L476 G477 F507I432-F441 HydrophobicContact CD1-CE1 4.02Å; I432-F441 HydrophobicContact CD1-CZ 4.3Å; A435-F441 HydrophobicContact CB-CD1 4.26Å; A435-F441 HydrophobicContact CB-CD2 4.39Å; A435-F441 HydrophobicContact CB-CG 4.2Å; A435-F441 WeakPolarHBondContact O-CB 3.31Å; A435-F441 VanDerWaalsContact O-CD1 3.26Å; A435-F441 WeakPolarHBondContact O-CD1 3.43Å; H438-F441 HydrophobicContact CB-CB 4.15Å; H438-F441 PolarHBondContact O-N 3.2Å; F441-T443 VanDerWaalsContact C-N 3.3Å; F441-T443 PolarHBondContact O-N 3.17Å; F441-V445 HydrophobicContact CD2-CB 4.2Å; F441-V445 HydrophobicContact CD2-CG2 3.83Å; F441-V445 HydrophobicContact CE1-CB 4.27Å; F441-V445 HydrophobicContact CE1-CG1 4.38Å; F441-V445 HydrophobicContact CE2-CB 3.88Å; F441-V445 HydrophobicContact CE2-CG1 4.11Å; F441-V445 HydrophobicContact CE2-CG2 3.61Å; F441-V445 HydrophobicContact CZ-CB 3.91Å; F441-V445 HydrophobicContact CZ-CG1 3.81Å; F441-V445 HydrophobicContact CZ-CG2 4.15Å; F441-V445 WeakPolarHBondContact O-CA 3.41Å; F441-V445 WeakPolarHBondContact O-CB 3.5Å; F441-V445 PolarHBondContact O-N 3.2Å; F441-M446 HydrophobicContact CD1-CG 3.92Å; F441-M446 HydrophobicContact CE1-CG 3.85Å; F441-M446 HydrophobicContact CE1-SD 4.01Å; F441-M446 PolarHBondContact O-N 3.03Å; F441-A473 WeakPolarHBondContact CZ-O 3.48Å; F441-L476 HydrophobicContact CE2-CB 4.1Å; F441-G477 VanDerWaalsContact CE2-CA 3.49Å; F441-G477 VanDerWaalsContact CZ-CA 3.5Å; F441-F507 HydrophobicContact CD2-CD2 4.45Å; F441-F507 AromaticContact CD2-CE2 3.94Å; F441-F507 HydrophobicContact CD2-CE2 3.94Å; F441-F507 HydrophobicContact CE2-CE2 4.17Å
442V91.2Very high88.8Confident33 Ų3360.9 Ų60.920%0.231%0.308CS..Iπ-helixtrans-61.5-42.3174.6174.30000111.1Y436 H438 Q440 M446 K447Y436-V442 WeakPolarHBondContact O-CG2 3.5Å; H438-V442 WeakPolarHBondContact O-CG2 3.24Å; H438-V442 PolarHBondContact O-N 2.85Å; Q440-V442 VanDerWaalsContact C-N 3.31Å; Q440-V442 PolarHBondContact O-N 3.32Å; V442-M446 HydrophobicContact CB-CB 4.5Å; V442-M446 HydrophobicContact CG1-CB 4.36Å; V442-M446 HydrophobicContact CG2-CG 4.46Å; V442-M446 PolarHBondContact O-N 3.29Å; V442-K447 HydrophobicContact CG1-CD 4.46Å; V442-K447 HydrophobicContact CG1-CG 4.22Å; V442-K447 WeakPolarHBondContact O-CB 3.35Å; V442-K447 PolarHBondContact O-N 3.49Å
443T90.3Very high88.3Confident66 Ų6663.4 Ų63.441%0.40533%0.327SS..Iπ-helixtrans-76.1-39.6-177.8-55.50000112.7P439 Q440 F441 P448P439-T443 WeakPolarHBondContact O-CB 3.2Å; P439-T443 PolarHBondContact O-N 3.36Å; P439-T443 PolarHBondContact O-OG1 3.41Å; Q440-T443 PolarHBondContact O-N 3.16Å; F441-T443 VanDerWaalsContact C-N 3.3Å; F441-T443 PolarHBondContact O-N 3.17Å; T443-P448 VanDerWaalsContact O-CD 3.22Å; T443-P448 WeakPolarHBondContact O-CD 3.36Å; T443-P448 WeakPolarHBondContact O-CG 3.25Å
444D88.6Confident88.3Confident8 Ų855.9 Ų55.94%0.04330%0.298CS..Iπ-helixtrans-83.7-32.1-175.2-68.6-11.7000112.3Q440 V503 R506 H510Q440-D444 WeakPolarHBondContact CG-OD2 3.25Å; Q440-D444 VanDerWaalsContact O-CB 3.28Å; Q440-D444 WeakPolarHBondContact O-CB 3.48Å; Q440-D444 VanDerWaalsContact O-CG 3.31Å; Q440-D444 PolarHBondContact O-N 3.14Å; D444-V503 WeakPolarHBondContact O-CG1 3.15Å; D444-V503 WeakPolarHBondContact O-CG2 3.45Å; D444-R506 IonicContact OD1-CZ 3.34Å; D444-R506 IonicContact OD1-NE 3.79Å; D444-R506 PolarHBondContact OD1-NE 2.98Å; D444-R506 IonicContact OD1-NH2 3.75Å; D444-R506 PolarHBondContact OD1-NH2 3Å; D444-H510 IonicContact OD2-CD2 3.8Å
445V91.8Very high88.3Confident0 Ų050.1 Ų50.10%027%0.268CS..Iπ-helixtrans-119.3-57.5-173.2-175.10000112.2F441 P448 M449 A473 L476 V503 F507F441-V445 HydrophobicContact CD2-CB 4.2Å; F441-V445 HydrophobicContact CD2-CG2 3.83Å; F441-V445 HydrophobicContact CE1-CB 4.27Å; F441-V445 HydrophobicContact CE1-CG1 4.38Å; F441-V445 HydrophobicContact CE2-CB 3.88Å; F441-V445 HydrophobicContact CE2-CG1 4.11Å; F441-V445 HydrophobicContact CE2-CG2 3.61Å; F441-V445 HydrophobicContact CZ-CB 3.91Å; F441-V445 HydrophobicContact CZ-CG1 3.81Å; F441-V445 HydrophobicContact CZ-CG2 4.15Å; F441-V445 WeakPolarHBondContact O-CA 3.41Å; F441-V445 WeakPolarHBondContact O-CB 3.5Å; F441-V445 PolarHBondContact O-N 3.2Å; V445-P448 WeakPolarHBondContact O-CD 3.49Å; V445-M449 HydrophobicContact CG1-CG 4.47Å; V445-M449 WeakPolarHBondContact O-CB 3.48Å; V445-M449 WeakPolarHBondContact O-CG 3.21Å; V445-M449 PolarHBondContact O-N 2.97Å; V445-A473 HydrophobicContact CG1-CB 4.14Å; V445-L476 HydrophobicContact CG1-CD1 4.15Å; V445-L476 HydrophobicContact CG2-CD1 4.16Å; V445-V503 HydrophobicContact CB-CG1 4.16Å; V445-V503 HydrophobicContact CG1-CG1 4.08Å; V445-V503 HydrophobicContact CG2-CG1 3.91Å; V445-F507 HydrophobicContact CG2-CD2 3.98Å; V445-F507 HydrophobicContact CG2-CG 4.45Å
446M91.2Very high88.2Confident5 Ų554.3 Ų54.33%0.02529%0.287CS..Iπ-helixtrans-67.5-45.1-167.9-64-73.3-71.700113.9L428 Y436 F441 V442 Q450 I451 A473L428-M446 HydrophobicContact CD1-CE 3.69Å; L428-M446 HydrophobicContact CD1-SD 4.45Å; Y436-M446 HydrophobicContact CD2-CE 3.89Å; Y436-M446 HydrophobicContact CE2-CE 3.89Å; F441-M446 HydrophobicContact CD1-CG 3.92Å; F441-M446 HydrophobicContact CE1-CG 3.85Å; F441-M446 HydrophobicContact CE1-SD 4.01Å; F441-M446 PolarHBondContact O-N 3.03Å; V442-M446 HydrophobicContact CB-CB 4.5Å; V442-M446 HydrophobicContact CG1-CB 4.36Å; V442-M446 HydrophobicContact CG2-CG 4.46Å; V442-M446 PolarHBondContact O-N 3.29Å; M446-Q450 PolarHBondContact O-N 2.9Å; M446-Q450 VanDerWaalsContact O-N 3.16Å; M446-I451 HydrophobicContact CE-CB 3.71Å; M446-I451 HydrophobicContact CE-CG1 4.4Å; M446-I451 HydrophobicContact CE-CG2 3.41Å; M446-I451 VanDerWaalsContact CE-CG2 3.41Å; M446-I451 PolarHBondContact O-N 3.29Å; M446-I451 HydrophobicContact SD-CB 4.02Å; M446-I451 HydrophobicContact SD-CG1 4.04Å; M446-I451 HydrophobicContact SD-CG2 4.03Å; M446-A473 HydrophobicContact SD-CB 4.27Å
447K90.1Very high88.3Confident113 Ų11354 Ų5449%0.49129%0.288SS..THydrogen-bonded Turntrans-68-50.8179.5-76.9178-179.5175.40111.9V442 M449 Q450 E452V442-K447 HydrophobicContact CG1-CD 4.46Å; V442-K447 HydrophobicContact CG1-CG 4.22Å; V442-K447 WeakPolarHBondContact O-CB 3.35Å; V442-K447 PolarHBondContact O-N 3.49Å; K447-M449 VanDerWaalsContact C-N 3.29Å; K447-M449 PolarHBondContact O-N 2.84Å; K447-Q450 WeakPolarHBondContact O-CA 3.39Å; K447-Q450 PolarHBondContact O-N 3.37Å; K447-E452 WeakPolarHBondContact CG-OE1 3.4Å
448P89.5Confident88.3Confident52 Ų5253.2 Ų53.234%0.33828%0.279SS..THydrogen-bonded Turntrans-60.6-37.8177.1-2636.7000112.9T443 V445 Q450 V499 V503T443-P448 VanDerWaalsContact O-CD 3.22Å; T443-P448 WeakPolarHBondContact O-CD 3.36Å; T443-P448 WeakPolarHBondContact O-CG 3.25Å; V445-P448 WeakPolarHBondContact O-CD 3.49Å; P448-Q450 PolarHBondContact O-N 3.47Å; P448-V499 HydrophobicContact CB-CG1 3.9Å; P448-V499 WeakPolarHBondContact O-CG1 3.18Å; P448-V503 HydrophobicContact CB-CG2 3.59Å; P448-V503 HydrophobicContact CG-CG2 4.2Å
449M89.4Confident88.2Confident3 Ų348.9 Ų48.92%0.01526%0.26CS..THydrogen-bonded Turntrans-76.70.5174.9-65.8-70.1-168.700113.4V445 K447 I451 R469 M472 C500 V503V445-M449 HydrophobicContact CG1-CG 4.47Å; V445-M449 WeakPolarHBondContact O-CB 3.48Å; V445-M449 WeakPolarHBondContact O-CG 3.21Å; V445-M449 PolarHBondContact O-N 2.97Å; K447-M449 VanDerWaalsContact C-N 3.29Å; K447-M449 PolarHBondContact O-N 2.84Å; M449-I451 HydrophobicContact CB-CD1 3.95Å; M449-I451 HydrophobicContact CB-CG1 3.8Å; M449-I451 PolarHBondContact O-N 2.83Å; M449-R469 HydrophobicContact CB-CB 4.43Å; M449-R469 WeakPolarHBondContact O-CD 3.47Å; M449-R469 PolarHBondContact O-NH1 3.31Å; M449-R469 HydrophobicContact SD-CB 4.37Å; M449-R469 HydrophobicContact SD-CG 4.02Å; M449-M472 HydrophobicContact CE-CB 4.12Å; M449-C500 HydrophobicContact CE-CB 3.88Å; M449-V503 HydrophobicContact CE-CB 3.91Å; M449-V503 HydrophobicContact CE-CG1 3.86Å; M449-V503 HydrophobicContact CE-CG2 4.18Å; M449-V503 HydrophobicContact CG-CG2 4.49Å
450Q88.3Confident88Confident113 Ų11349.5 Ų49.553%0.52826%0.255SS..THydrogen-bonded Turntrans49.935.6-178.7-44.6170.8-27.200114.4M446 K447 P448 E452 S453M446-Q450 PolarHBondContact O-N 2.9Å; M446-Q450 VanDerWaalsContact O-N 3.16Å; K447-Q450 WeakPolarHBondContact O-CA 3.39Å; K447-Q450 PolarHBondContact O-N 3.37Å; P448-Q450 PolarHBondContact O-N 3.47Å; Q450-E452 PolarHBondContact O-N 3.14Å; Q450-S453 PolarHBondContact O-N 2.83Å; Q450-S453 PolarHBondContact O-OG 3.35Å
451I88.8Confident87.7Confident0 Ų050.7 Ų50.70%026%0.264CS..G310 helixtrans-64.5-29-177.3-57.2-60.2000111.6V424 L428 M446 M449 S453 I454 I455 R469 V470 A473V424-I451 HydrophobicContact CG1-CG2 4.35Å; L428-I451 HydrophobicContact CD1-CG2 3.94Å; M446-I451 HydrophobicContact CE-CB 3.71Å; M446-I451 HydrophobicContact CE-CG1 4.4Å; M446-I451 HydrophobicContact CE-CG2 3.41Å; M446-I451 VanDerWaalsContact CE-CG2 3.41Å; M446-I451 PolarHBondContact O-N 3.29Å; M446-I451 HydrophobicContact SD-CB 4.02Å; M446-I451 HydrophobicContact SD-CG1 4.04Å; M446-I451 HydrophobicContact SD-CG2 4.03Å; M449-I451 HydrophobicContact CB-CD1 3.95Å; M449-I451 HydrophobicContact CB-CG1 3.8Å; M449-I451 PolarHBondContact O-N 2.83Å; I451-S453 PolarHBondContact O-N 3.07Å; I451-S453 VanDerWaalsContact O-N 3.14Å; I451-I454 HydrophobicContact CD1-CD1 4.12Å; I451-I454 HydrophobicContact CG2-CG1 4.47Å; I451-I454 CarbonylContact O-C 3.59Å; I451-I454 VanDerWaalsContact O-CG1 3.24Å; I451-I454 WeakPolarHBondContact O-CG1 3.43Å; I451-I454 PolarHBondContact O-N 3Å; I451-I455 PolarHBondContact O-N 2.9Å; I451-R469 HydrophobicContact CD1-CB 3.94Å; I451-V470 HydrophobicContact CD1-CG2 4.12Å; I451-A473 HydrophobicContact CD1-CB 4.48Å; I451-A473 HydrophobicContact CG1-CB 4.36Å
452E84.9Confident87.3Confident112 Ų11251.1 Ų51.152%0.52327%0.266SS..G310 helixtrans-55-33.4177.8-65.1179.1-17700112.8K447 Q450 I454 I455K447-E452 WeakPolarHBondContact CG-OE1 3.4Å; Q450-E452 PolarHBondContact O-N 3.14Å; E452-I454 VanDerWaalsContact C-N 3.3Å; E452-I454 PolarHBondContact O-N 3.41Å; E452-I455 WeakPolarHBondContact O-CG2 3.41Å
453S81.8Confident86.9Confident60 Ų6052.4 Ų52.442%0.4228%0.277SS..G310 helixtrans-73.6-20.4-178.769.40000114.4K15 Q450 I451 Q457K15-S453 PolarHBondContact NZ-O 3.13Å; Q450-S453 PolarHBondContact O-N 2.83Å; Q450-S453 PolarHBondContact O-OG 3.35Å; I451-S453 PolarHBondContact O-N 3.07Å; I451-S453 VanDerWaalsContact O-N 3.14Å; S453-Q457 PolarHBondContact O-NE2 2.94Å
454I86.8Confident86.6Confident1 Ų150.9 Ų50.91%0.00528%0.275CS..THydrogen-bonded Turntrans-117.5-1.6-175.760.9172.5000113I451 E452 D456 Q457 L462 E466 V470I451-I454 HydrophobicContact CD1-CD1 4.12Å; I451-I454 HydrophobicContact CG2-CG1 4.47Å; I451-I454 CarbonylContact O-C 3.59Å; I451-I454 VanDerWaalsContact O-CG1 3.24Å; I451-I454 WeakPolarHBondContact O-CG1 3.43Å; I451-I454 PolarHBondContact O-N 3Å; E452-I454 VanDerWaalsContact C-N 3.3Å; E452-I454 PolarHBondContact O-N 3.41Å; I454-D456 VanDerWaalsContact C-N 3.26Å; I454-D456 PolarHBondContact O-N 2.72Å; I454-Q457 WeakPolarHBondContact O-CB 3.15Å; I454-Q457 PolarHBondContact O-N 2.85Å; I454-L462 HydrophobicContact CB-CD2 4.11Å; I454-L462 HydrophobicContact CD1-CD2 4.49Å; I454-L462 HydrophobicContact CG2-CD2 4.43Å; I454-E466 HydrophobicContact CD1-CB 4.1Å; I454-E466 HydrophobicContact CD1-CG 4.33Å; I454-E466 HydrophobicContact CG2-CG 4.01Å; I454-E466 WeakPolarHBondContact CG2-OE1 3.41Å; I454-V470 HydrophobicContact CD1-CG2 3.58Å
455I87.2Confident86.4Confident13 Ų1350.9 Ų50.97%0.06728%0.276CS..THydrogen-bonded Turntrans-61.2-33.3-171.3-160168.5000113.5R425 L428 Y436 I451 E452R425-I455 HydrophobicContact CB-CG1 3.94Å; R425-I455 WeakPolarHBondContact CB-O 3.22Å; R425-I455 HydrophobicContact CG-CG1 4.44Å; R425-I455 PolarHBondContact N-O 2.87Å; L428-I455 HydrophobicContact CD1-CD1 4.43Å; L428-I455 HydrophobicContact CD1-CG1 4.39Å; Y436-I455 HydrophobicContact CE2-CD1 3.57Å; Y436-I455 VanDerWaalsContact OH-CD1 3.24Å; Y436-I455 WeakPolarHBondContact OH-CD1 3.49Å; I451-I455 PolarHBondContact O-N 2.9Å; E452-I455 WeakPolarHBondContact O-CG2 3.41Å
456D84.8Confident86.3Confident110 Ų11052.8 Ų52.859%0.58829%0.285SS*.THydrogen-bonded Turntrans-91.2-0.1-180-66.4-46.6000113.2R425 I454R425-D456 IonicContact CZ-OD1 3.59Å; R425-D456 IonicContact NE-OD1 3.54Å; R425-D456 IonicContact NH1-OD1 2.91Å; R425-D456 PolarHBondContact NH1-OD1 3.3Å; R425-D456 IonicContact NH2-OD1 2.73Å; R425-D456 PolarHBondContact NH2-OD1 2.92Å; R425-D456 IonicContact NH2-OD2 3.55Å; R425-D456 PolarHBondContact NH2-OD2 3.04Å; I454-D456 VanDerWaalsContact C-N 3.26Å; I454-D456 PolarHBondContact O-N 2.72Å
457Q84.4Confident86.3Confident54 Ų5453.4 Ų53.425%0.25229%0.289SS..SBendtrans-85.3153.7178.5-58.3-173.127.700111.2S423 V424 S453 I454 L462S423-Q457 CarbonylContact C-O 3.58Å; S423-Q457 VanDerWaalsContact CA-O 3.26Å; S423-Q457 WeakPolarHBondContact CA-O 3.23Å; V424-Q457 PolarHBondContact N-O 3.11Å; S453-Q457 PolarHBondContact O-NE2 2.94Å; I454-Q457 WeakPolarHBondContact O-CB 3.15Å; I454-Q457 PolarHBondContact O-N 2.85Å; Q457-L462 HydrophobicContact CB-CD2 4.1Å
458D86.3Confident86.4Confident82 Ų8248.1 Ų48.144%0.43927%0.266SS..BIsolated β-bridgetrans-74.4136174-66.7-41.6000110.7Q460 N461D458-Q460 PolarHBondContact O-N 2.86Å; D458-Q460 VanDerWaalsContact O-N 3.12Å; D458-N461 PolarHBondContact O-N 2.78Å
459V87.7Confident86.5Confident4 Ų446.4 Ų46.42%0.02425%0.252CS..G310 helixtrans-59.2-29.6-176.8177.60000112.1P418 F420 G422 V424 L427 N461 L467P418-V459 HydrophobicContact CB-CG1 3.95Å; P418-V459 WeakPolarHBondContact CB-O 2.99Å; F420-V459 HydrophobicContact CB-CG1 4.44Å; F420-V459 HydrophobicContact CD1-CG2 3.99Å; G422-V459 PolarHBondContact O-N 3.32Å; V424-V459 HydrophobicContact CG2-CG2 3.97Å; L427-V459 HydrophobicContact CB-CG2 4.44Å; L427-V459 HydrophobicContact CD2-CG1 4.49Å; L427-V459 HydrophobicContact CD2-CG2 3.9Å; V459-N461 VanDerWaalsContact C-N 3.3Å; V459-N461 PolarHBondContact O-N 2.79Å; V459-L467 HydrophobicContact CG1-CD1 3.98Å
460Q85.3Confident86.7Confident107 Ų10746.4 Ų46.450%0.525%0.252SS..G310 helixtrans-71.7-22.3179.3-64.8-176.5-17.100114D458D458-Q460 PolarHBondContact O-N 2.86Å; D458-Q460 VanDerWaalsContact O-N 3.12Å
461N82.9Confident86.9Confident118 Ų11841.8 Ų41.863%0.63123%0.234SC*.G310 helixtrans-97.5-3-177.1-63.7-21.1000112.7D458 V459D458-N461 PolarHBondContact O-N 2.78Å; V459-N461 VanDerWaalsContact C-N 3.3Å; V459-N461 PolarHBondContact O-N 2.79Å
462L83.1Confident87.2Confident19 Ų1941.9 Ų41.910%0.09923%0.234CC..  trans-68.8144179.9-63.6-179.6000111.4V424 I454 Q457 E466 L467 V470V424-L462 HydrophobicContact CG2-CD1 3.7Å; V424-L462 HydrophobicContact CG2-CD2 4.34Å; V424-L462 HydrophobicContact CG2-CG 4.42Å; I454-L462 HydrophobicContact CB-CD2 4.11Å; I454-L462 HydrophobicContact CD1-CD2 4.49Å; I454-L462 HydrophobicContact CG2-CD2 4.43Å; Q457-L462 HydrophobicContact CB-CD2 4.1Å; L462-E466 HydrophobicContact CB-CB 4.02Å; L462-E466 HydrophobicContact CD2-CB 4.14Å; L462-E466 HydrophobicContact CG-CB 4.47Å; L462-L467 HydrophobicContact CB-CB 4.37Å; L462-L467 HydrophobicContact CD1-CD1 4.4Å; L462-V470 HydrophobicContact CD1-CG2 4.03Å
463S81.9Confident87.6Confident61 Ų6136.5 Ų36.543%0.42721%0.209SC..  trans-66.2161.8166.263.60000111.6G465 E466 L467S463-G465 VanDerWaalsContact C-N 3.31Å; S463-G465 PolarHBondContact O-N 3.02Å; S463-E466 WeakPolarHBondContact CB-OE2 3.42Å; S463-E466 PolarHBondContact N-OE2 2.96Å; S463-E466 PolarHBondContact O-N 3.25Å; S463-E466 WeakPolarHBondContact OG-CB 3.22Å; S463-E466 VanDerWaalsContact OG-CG 3.23Å; S463-E466 WeakPolarHBondContact OG-CG 3.42Å; S463-E466 PolarHBondContact OG-N 3.48Å; S463-E466 PolarHBondContact OG-OE2 3.15Å; S463-L467 WeakPolarHBondContact O-CB 3.48Å; S463-L467 PolarHBondContact O-N 3.07Å
464G83.1Confident88.2Confident34 Ų3435 Ų3535%0.35120%0.196SC..Hα-helixtrans-55.2-43.417800000113.3L467 Q468G464-L467 PolarHBondContact O-N 3.22Å; G464-Q468 WeakPolarHBondContact O-CB 3.4Å; G464-Q468 PolarHBondContact O-N 3.05Å
465G86.1Confident88.6Confident8 Ų835.1 Ų35.18%0.08220%0.197CC..Hα-helixtrans-70.1-35.4177.200000113.8S463 R469S463-G465 VanDerWaalsContact C-N 3.31Å; S463-G465 PolarHBondContact O-N 3.02Å; G465-R469 WeakPolarHBondContact O-CG 3.22Å; G465-R469 PolarHBondContact O-N 2.77Å; G465-R469 VanDerWaalsContact O-N 3.11Å; G465-R469 PolarHBondContact O-NE 3.37Å
466E89.2Confident88.9Confident40 Ų4034.6 Ų34.619%0.18720%0.195CC..Hα-helixtrans-65.1-45.2171.4-75.7164.4151.500111.7I454 L462 S463 Q468 R469 V470I454-E466 HydrophobicContact CD1-CB 4.1Å; I454-E466 HydrophobicContact CD1-CG 4.33Å; I454-E466 HydrophobicContact CG2-CG 4.01Å; I454-E466 WeakPolarHBondContact CG2-OE1 3.41Å; L462-E466 HydrophobicContact CB-CB 4.02Å; L462-E466 HydrophobicContact CD2-CB 4.14Å; L462-E466 HydrophobicContact CG-CB 4.47Å; S463-E466 WeakPolarHBondContact CB-OE2 3.42Å; S463-E466 PolarHBondContact N-OE2 2.96Å; S463-E466 PolarHBondContact O-N 3.25Å; S463-E466 WeakPolarHBondContact OG-CB 3.22Å; S463-E466 VanDerWaalsContact OG-CG 3.23Å; S463-E466 WeakPolarHBondContact OG-CG 3.42Å; S463-E466 PolarHBondContact OG-N 3.48Å; S463-E466 PolarHBondContact OG-OE2 3.15Å; E466-Q468 VanDerWaalsContact C-N 3.3Å; E466-Q468 PolarHBondContact O-N 2.93Å; E466-R469 PolarHBondContact O-N 3.4Å; E466-V470 WeakPolarHBondContact O-CG2 3.45Å; E466-V470 PolarHBondContact O-N 3.45Å
467L90.5Very high89.2Confident18 Ų1829.7 Ų29.79%0.09417%0.17CC..Hα-helixtrans-62.1-40.2178-175.163.6000111.5I416 P418 V459 L462 S463 G464 V470 A471I416-L467 HydrophobicContact CB-CD2 4.2Å; I416-L467 HydrophobicContact CB-CG 4.38Å; I416-L467 HydrophobicContact CG2-CD1 4.14Å; I416-L467 HydrophobicContact CG2-CD2 3.73Å; I416-L467 HydrophobicContact CG2-CG 3.66Å; P418-L467 HydrophobicContact CB-CD1 4.38Å; P418-L467 HydrophobicContact CB-CD2 4.33Å; P418-L467 HydrophobicContact CG-CD2 4.44Å; V459-L467 HydrophobicContact CG1-CD1 3.98Å; L462-L467 HydrophobicContact CB-CB 4.37Å; L462-L467 HydrophobicContact CD1-CD1 4.4Å; S463-L467 WeakPolarHBondContact O-CB 3.48Å; S463-L467 PolarHBondContact O-N 3.07Å; G464-L467 PolarHBondContact O-N 3.22Å; L467-V470 PolarHBondContact O-N 3.29Å; L467-A471 WeakPolarHBondContact O-CB 3.34Å; L467-A471 PolarHBondContact O-N 2.65Å
468Q91.7Very high89.6Confident2 Ų231.1 Ų31.11%0.00918%0.175CC..Hα-helixtrans-59.8-47.7173.9-174.178.33.900111.4K412 I416 G464 E466 V470 A471 M472 E487 P488 A490 L492K412-Q468 VanDerWaalsContact CE-NE2 3.34Å; K412-Q468 VanDerWaalsContact NZ-NE2 3.14Å; I416-Q468 HydrophobicContact CD1-CB 4.44Å; G464-Q468 WeakPolarHBondContact O-CB 3.4Å; G464-Q468 PolarHBondContact O-N 3.05Å; E466-Q468 VanDerWaalsContact C-N 3.3Å; E466-Q468 PolarHBondContact O-N 2.93Å; Q468-V470 VanDerWaalsContact C-N 3.34Å; Q468-V470 PolarHBondContact O-N 2.92Å; Q468-A471 PolarHBondContact O-N 3.25Å; Q468-M472 WeakPolarHBondContact O-CG 3.45Å; Q468-M472 PolarHBondContact O-N 3.33Å; Q468-E487 PolarHBondContact NE2-O 2.86Å; Q468-P488 PolarHBondContact NE2-O 3.46Å; Q468-A490 WeakPolarHBondContact CG-O 3.22Å; Q468-L492 HydrophobicContact CB-CD2 4.1Å; Q468-L492 HydrophobicContact CG-CD1 4.28Å; Q468-L492 HydrophobicContact CG-CD2 4.02Å; Q468-L492 HydrophobicContact CG-CG 4.02Å
469R92.8Very high89.7Confident16 Ų1632.3 Ų32.36%0.0619%0.188CC..Hα-helixtrans-61.3-40.9177.4-70.6-179.1-62.9156.1-12.8112.4M449 I451 G465 E466 M472 A473 L492M449-R469 HydrophobicContact CB-CB 4.43Å; M449-R469 WeakPolarHBondContact O-CD 3.47Å; M449-R469 PolarHBondContact O-NH1 3.31Å; M449-R469 HydrophobicContact SD-CB 4.37Å; M449-R469 HydrophobicContact SD-CG 4.02Å; I451-R469 HydrophobicContact CD1-CB 3.94Å; G465-R469 WeakPolarHBondContact O-CG 3.22Å; G465-R469 PolarHBondContact O-N 2.77Å; G465-R469 VanDerWaalsContact O-N 3.11Å; G465-R469 PolarHBondContact O-NE 3.37Å; E466-R469 PolarHBondContact O-N 3.4Å; R469-M472 PolarHBondContact O-N 3.36Å; R469-A473 PolarHBondContact O-N 3.27Å; R469-L492 HydrophobicContact CG-CD2 4.11Å
470V93.1Very high89.9Confident2 Ų232.3 Ų32.31%0.01219%0.188CC..Hα-helixtrans-64-43.5174.8173.80000111.1V424 L427 I451 I454 L462 E466 L467 Q468 M472 A473 L474V424-V470 HydrophobicContact CG1-CG1 4.19Å; V424-V470 HydrophobicContact CG1-CG2 3.92Å; V424-V470 HydrophobicContact CG2-CG2 4.27Å; L427-V470 HydrophobicContact CD2-CG1 4.27Å; I451-V470 HydrophobicContact CD1-CG2 4.12Å; I454-V470 HydrophobicContact CD1-CG2 3.58Å; L462-V470 HydrophobicContact CD1-CG2 4.03Å; E466-V470 WeakPolarHBondContact O-CG2 3.45Å; E466-V470 PolarHBondContact O-N 3.45Å; L467-V470 PolarHBondContact O-N 3.29Å; Q468-V470 VanDerWaalsContact C-N 3.34Å; Q468-V470 PolarHBondContact O-N 2.92Å; V470-M472 VanDerWaalsContact C-N 3.32Å; V470-M472 PolarHBondContact O-N 2.76Å; V470-A473 PolarHBondContact O-N 2.92Å; V470-L474 HydrophobicContact CG1-CD1 3.92Å; V470-L474 HydrophobicContact CG1-CG 4.4Å; V470-L474 WeakPolarHBondContact O-CB 3.29Å; V470-L474 VanDerWaalsContact O-CG 3.32Å; V470-L474 WeakPolarHBondContact O-CG 3.28Å; V470-L474 PolarHBondContact O-N 3.33Å
471A93.3Very high90.1Very high17 Ų1729.7 Ų29.714%0.1418%0.177CC..Hα-helixtrans-63.9-37.8177.800000112.5I416 L467 Q468 L474 C475I416-A471 HydrophobicContact CD1-CB 3.47Å; I416-A471 VanDerWaalsContact CD1-CB 3.47Å; I416-A471 HydrophobicContact CG1-CB 4.27Å; I416-A471 HydrophobicContact CG2-CB 4.37Å; L467-A471 WeakPolarHBondContact O-CB 3.34Å; L467-A471 PolarHBondContact O-N 2.65Å; Q468-A471 PolarHBondContact O-N 3.25Å; A471-L474 PolarHBondContact O-N 2.88Å; A471-C475 WeakPolarHBondContact O-CB 3.34Å; A471-C475 PolarHBondContact O-N 3.01Å
472M94.6Very high90.5Very high1 Ų124.3 Ų24.31%0.00515%0.149CC..Hα-helixtrans-63.6-46.9173.2-70.2-56-58.500111.6K412 M449 Q468 R469 V470 L474 C475 L476 I485 P488 I504K412-M472 HydrophobicContact CD-SD 4.16Å; K412-M472 HydrophobicContact CG-SD 4.03Å; M449-M472 HydrophobicContact CE-CB 4.12Å; Q468-M472 WeakPolarHBondContact O-CG 3.45Å; Q468-M472 PolarHBondContact O-N 3.33Å; R469-M472 PolarHBondContact O-N 3.36Å; V470-M472 VanDerWaalsContact C-N 3.32Å; V470-M472 PolarHBondContact O-N 2.76Å; M472-L474 VanDerWaalsContact C-N 3.31Å; M472-L474 PolarHBondContact O-N 3.3Å; M472-C475 PolarHBondContact O-N 3Å; M472-L476 WeakPolarHBondContact O-CG 3.5Å; M472-L476 PolarHBondContact O-N 2.86Å; M472-I485 HydrophobicContact CE-CD1 3.99Å; M472-I485 HydrophobicContact CE-CG2 3.73Å; M472-I485 HydrophobicContact SD-CG2 3.68Å; M472-P488 HydrophobicContact CE-CB 4.1Å; M472-P488 HydrophobicContact SD-CB 3.81Å; M472-I504 HydrophobicContact CE-CD1 3.55Å; M472-I504 HydrophobicContact CE-CG1 3.67Å
473A93.9Very high91.1Very high0 Ų023.9 Ų23.90%015%0.146CC..Hα-helixtrans-60.5-40.3175.700000112.1F441 V445 M446 I451 R469 V470 G477F441-A473 WeakPolarHBondContact CZ-O 3.48Å; V445-A473 HydrophobicContact CG1-CB 4.14Å; M446-A473 HydrophobicContact SD-CB 4.27Å; I451-A473 HydrophobicContact CD1-CB 4.48Å; I451-A473 HydrophobicContact CG1-CB 4.36Å; R469-A473 PolarHBondContact O-N 3.27Å; V470-A473 PolarHBondContact O-N 2.92Å; A473-G477 PolarHBondContact O-N 3.46Å
474L93.8Very high91.7Very high27 Ų2721 Ų2114%0.14113%0.125CC..Hα-helixtrans-66.3-37.2175.3-74.7168.5000113.1L427 L428 K431 I432 V470 A471 M472 K478L427-L474 HydrophobicContact CD2-CD1 3.68Å; L427-L474 HydrophobicContact CG-CD1 3.95Å; L427-L474 HydrophobicContact CG-CD2 4.33Å; L428-L474 HydrophobicContact CD2-CD2 3.78Å; L428-L474 HydrophobicContact CD2-CG 4.06Å; K431-L474 HydrophobicContact CB-CD2 3.74Å; K431-L474 HydrophobicContact CG-CD2 4.22Å; I432-L474 HydrophobicContact CG1-CD2 4.33Å; I432-L474 HydrophobicContact CG2-CD2 4.41Å; V470-L474 HydrophobicContact CG1-CD1 3.92Å; V470-L474 HydrophobicContact CG1-CG 4.4Å; V470-L474 WeakPolarHBondContact O-CB 3.29Å; V470-L474 VanDerWaalsContact O-CG 3.32Å; V470-L474 WeakPolarHBondContact O-CG 3.28Å; V470-L474 PolarHBondContact O-N 3.33Å; A471-L474 PolarHBondContact O-N 2.88Å; M472-L474 VanDerWaalsContact C-N 3.31Å; M472-L474 PolarHBondContact O-N 3.3Å; L474-K478 WeakPolarHBondContact O-CG 3.14Å; L474-K478 PolarHBondContact O-N 3.11Å
475C94.1Very high92.3Very high5 Ų519.3 Ų19.33%0.03411%0.109CC..Hα-helixtrans-67.1-49.4178.1-171.50000110.6S410 K412 A471 M472 Y483S410-C475 WeakPolarHBondContact CB-O 3.2Å; S410-C475 PolarHBondContact OG-O 3.41Å; S410-C475 PolarHBondContact OG-SG 3.13Å; K412-C475 HydrophobicContact CB-CB 3.95Å; A471-C475 WeakPolarHBondContact O-CB 3.34Å; A471-C475 PolarHBondContact O-N 3.01Å; M472-C475 PolarHBondContact O-N 3Å; C475-Y483 VanDerWaalsContact O-CE1 3.26Å; C475-Y483 WeakPolarHBondContact O-CE1 3.35Å
476L93.9Very high92.6Very high2 Ų219 Ų191%0.0111%0.105CC..Hα-helixtrans-72-28.1-179.1-60.9175.4000112.7F441 V445 M472 K478 Y483 I485 V503 F507F441-L476 HydrophobicContact CE2-CB 4.1Å; V445-L476 HydrophobicContact CG1-CD1 4.15Å; V445-L476 HydrophobicContact CG2-CD1 4.16Å; M472-L476 WeakPolarHBondContact O-CG 3.5Å; M472-L476 PolarHBondContact O-N 2.86Å; L476-K478 VanDerWaalsContact C-N 3.34Å; L476-Y483 HydrophobicContact CD2-CD1 4.15Å; L476-Y483 HydrophobicContact CD2-CE1 4.49Å; L476-I485 HydrophobicContact CD2-CD1 4.43Å; L476-V503 HydrophobicContact CD1-CG1 3.92Å; L476-F507 HydrophobicContact CB-CD1 4.22Å; L476-F507 HydrophobicContact CB-CE1 4.11Å; L476-F507 HydrophobicContact CB-CZ 4.33Å; L476-F507 HydrophobicContact CD2-CD1 3.68Å; L476-F507 HydrophobicContact CD2-CE1 4.02Å; L476-F507 HydrophobicContact CD2-CG 4.4Å; L476-F507 HydrophobicContact CG-CD1 4.37Å; L476-F507 WeakPolarHBondContact O-CZ 3.21Å
477G92.4Very high92.6Very high7 Ų718.4 Ų18.47%0.07210%0.102CC..Hα-helixtrans-78.7-14.5179.900000114.5I432 A435 F441 A473I432-G477 WeakPolarHBondContact CG2-O 3.41Å; A435-G477 VanDerWaalsContact CB-O 3.27Å; A435-G477 WeakPolarHBondContact CB-O 3.46Å; F441-G477 VanDerWaalsContact CE2-CA 3.49Å; F441-G477 VanDerWaalsContact CZ-CA 3.5Å; A473-G477 PolarHBondContact O-N 3.46Å
478K92Very high92.7Very high84 Ų8417.6 Ų17.637%0.36510%0.098SC..SBendtrans-80.8128.9175-77.5176.6-177.9-177.70109.5I432 L474 L476 A480 Y483I432-K478 HydrophobicContact CG2-CG 3.93Å; L474-K478 WeakPolarHBondContact O-CG 3.14Å; L474-K478 PolarHBondContact O-N 3.11Å; L476-K478 VanDerWaalsContact C-N 3.34Å; K478-A480 PolarHBondContact O-N 2.98Å; K478-A480 VanDerWaalsContact O-N 3.15Å; K478-Y483 PolarHBondContact O-OH 2.89Å
479P89.5Confident92.5Very high107 Ų10717.8 Ų17.870%0.69510%0.1SC*.  trans-62.9120.8175.727.3-32.9000108.8N408N408-P479 PolarHBondContact ND2-O 2.98Å
480A91.2Very high92.1Very high3 Ų318 Ų183%0.02510%0.104CC..  trans-151.4155.2178.800000110.3N408 S410 K478 Y483 K513N408-A480 CarbonylContact O-C 3.46Å; N408-A480 WeakPolarHBondContact O-CA 3.27Å; N408-A480 WeakPolarHBondContact O-CB 3.47Å; S410-A480 VanDerWaalsContact N-CB 3.33Å; K478-A480 PolarHBondContact O-N 2.98Å; K478-A480 VanDerWaalsContact O-N 3.15Å; A480-Y483 HydrophobicContact CB-CE1 4.17Å; A480-Y483 HydrophobicContact CB-CE2 4.33Å; A480-K513 WeakPolarHBondContact O-CE 3.38Å
481D88.8Confident91.6Very high52 Ų5223.5 Ų23.528%0.27813%0.126SC..SBendtrans-86.6-38.1172.9-58-48.4000110.6L407 N408 K513 T514L407-D481 HydrophobicContact CB-CB 4.39Å; L407-D481 HydrophobicContact CD2-CB 4.3Å; N408-D481 PolarHBondContact N-OD2 2.88Å; N408-D481 PolarHBondContact O-N 2.82Å; D481-K513 IonicContact OD1-NZ 3.18Å; D481-K513 PolarHBondContact OD1-NZ 2.91Å; D481-T514 PolarHBondContact O-N 3.31Å
482V91.6Very high91.4Very high6 Ų622.8 Ų22.84%0.03612%0.12CC..EExtended strand (participates in β ladder)trans-119.8126178.5-174.80000110.2F369 L407 N408 V409 S410 L484 T514 F516F369-V482 HydrophobicContact CE2-CG2 4.42Å; L407-V482 HydrophobicContact CB-CG2 3.98Å; L407-V482 HydrophobicContact CD1-CG2 3.47Å; L407-V482 VanDerWaalsContact CD1-CG2 3.47Å; L407-V482 HydrophobicContact CG-CG2 4.34Å; N408-V482 PolarHBondContact O-N 3.21Å; V409-V482 WeakPolarHBondContact CA-O 3.44Å; V409-V482 HydrophobicContact CG2-CB 4.38Å; S410-V482 PolarHBondContact N-O 3.19Å; V482-L484 HydrophobicContact CG1-CD2 3.72Å; V482-L484 HydrophobicContact CG1-CG 4.24Å; V482-T514 HydrophobicContact CB-CG2 4.09Å; V482-T514 HydrophobicContact CG1-CG2 4.09Å; V482-T514 HydrophobicContact CG2-CG2 3.66Å; V482-F516 HydrophobicContact CG1-CD2 3.64Å; V482-F516 HydrophobicContact CG1-CE2 3.75Å
483Y95.2Very high91Very high9 Ų923 Ų234%0.03512%0.121CC..EExtended strand (participates in β ladder)trans-100.4121.3171.8-65-93000110.1C475 L476 K478 A480 F507 I508 K513 T514 A515 F516C475-Y483 VanDerWaalsContact O-CE1 3.26Å; C475-Y483 WeakPolarHBondContact O-CE1 3.35Å; L476-Y483 HydrophobicContact CD2-CD1 4.15Å; L476-Y483 HydrophobicContact CD2-CE1 4.49Å; K478-Y483 PolarHBondContact O-OH 2.89Å; A480-Y483 HydrophobicContact CB-CE1 4.17Å; A480-Y483 HydrophobicContact CB-CE2 4.33Å; Y483-F507 HydrophobicContact CE1-CE1 4.09Å; Y483-F507 HydrophobicContact CE2-CE1 4.02Å; Y483-F507 AromaticContact CZ-CE1 3.66Å; Y483-I508 HydrophobicContact CD2-CD1 3.56Å; Y483-I508 HydrophobicContact CE2-CD1 4.17Å; Y483-I508 HydrophobicContact CG-CD1 4.05Å; Y483-K513 HydrophobicContact CD2-CB 4.08Å; Y483-K513 HydrophobicContact CE2-CB 3.71Å; Y483-K513 HydrophobicContact CE2-CG 3.94Å; Y483-T514 PolarHBondContact N-O 3.34Å; Y483-A515 CarbonylContact O-C 3.58Å; Y483-A515 VanDerWaalsContact O-CA 3.22Å; Y483-A515 WeakPolarHBondContact O-CA 3.41Å; Y483-F516 PolarHBondContact O-N 3.1Å
484L95.1Very high90.5Very high0 Ų023.5 Ų23.50%013%0.125CC..EExtended strand (participates in β ladder)trans-106.6114.4176.7-58-179.4000108.8I389 L392 A393 V409 S410 Y411 K412 V482 F516I389-L484 HydrophobicContact CG2-CB 4.03Å; I389-L484 HydrophobicContact CG2-CD1 4.16Å; I389-L484 WeakPolarHBondContact O-CD1 3.28Å; L392-L484 HydrophobicContact CB-CD1 3.93Å; L392-L484 HydrophobicContact CB-CD2 4.23Å; L392-L484 HydrophobicContact CD1-CD2 4.24Å; A393-L484 HydrophobicContact CB-CD1 3.68Å; V409-L484 HydrophobicContact CG1-CB 4.46Å; V409-L484 HydrophobicContact CG1-CD1 3.39Å; V409-L484 HydrophobicContact CG1-CG 3.65Å; S410-L484 PolarHBondContact O-N 2.76Å; Y411-L484 WeakPolarHBondContact CA-O 3.42Å; Y411-L484 HydrophobicContact CD2-CB 3.82Å; Y411-L484 WeakPolarHBondContact CD2-O 3.47Å; K412-L484 PolarHBondContact N-O 3.17Å; V482-L484 HydrophobicContact CG1-CD2 3.72Å; V482-L484 HydrophobicContact CG1-CG 4.24Å; L484-F516 HydrophobicContact CD2-CB 3.65Å; L484-F516 HydrophobicContact CD2-CD2 3.62Å; L484-F516 HydrophobicContact CD2-CE2 4.47Å; L484-F516 HydrophobicContact CD2-CG 3.85Å
485I95.4Very high90Very high0 Ų025 Ų250%013%0.131CC..EExtended strand (participates in β ladder)trans-123.6105.4-171.3-46.9-179.1000109.2K412 M472 L476 P488 I504 F516 V517 V518K412-I485 HydrophobicContact CB-CG2 4.29Å; K412-I485 HydrophobicContact CD-CG2 4.15Å; M472-I485 HydrophobicContact CE-CD1 3.99Å; M472-I485 HydrophobicContact CE-CG2 3.73Å; M472-I485 HydrophobicContact SD-CG2 3.68Å; L476-I485 HydrophobicContact CD2-CD1 4.43Å; I485-P488 HydrophobicContact CG2-CB 3.73Å; I485-P488 HydrophobicContact CG2-CG 3.64Å; I485-I504 HydrophobicContact CD1-CD1 4.24Å; I485-I504 HydrophobicContact CD1-CG1 4.23Å; I485-I504 HydrophobicContact CD1-CG2 4.1Å; I485-F516 PolarHBondContact N-O 2.8Å; I485-V517 HydrophobicContact CB-CG2 4.3Å; I485-V517 HydrophobicContact CD1-CG2 4.37Å; I485-V517 CarbonylContact O-C 3.47Å; I485-V517 WeakPolarHBondContact O-CA 3.11Å; I485-V518 PolarHBondContact O-N 2.96Å
486D92.9Very high89.8Confident0 Ų026.7 Ų26.70%014%0.138CC..EExtended strand (participates in β ladder)trans-98.2109.6-176.7-163.1-7000110.8T386 I389 Y411 K412 Q414T386-D486 WeakPolarHBondContact CB-OD2 3.4Å; T386-D486 VanDerWaalsContact CG2-OD2 3.24Å; T386-D486 WeakPolarHBondContact CG2-OD2 3.31Å; T386-D486 PolarHBondContact OG1-OD2 3.26Å; I389-D486 HydrophobicContact CD1-CB 4.23Å; Y411-D486 HydrophobicContact CE2-CB 4.19Å; K412-D486 WeakPolarHBondContact CD-O 3.29Å; K412-D486 PolarHBondContact NZ-O 3.16Å; K412-D486 WeakPolarHBondContact O-CB 3.35Å; K412-D486 PolarHBondContact O-N 3.09Å; K412-D486 VanDerWaalsContact O-N 3.12Å; Q414-D486 HydrophobicContact CB-CB 4.32Å
487E89.3Confident89.6Confident29 Ų2927.6 Ų27.614%0.13614%0.142CC..  trans51.469.5-177.2-65.5178.7-170.900114.2K412 Q414 Q468 S489 V518 H520K412-E487 PolarHBondContact NZ-O 3.45Å; Q414-E487 HydrophobicContact CG-CB 4.26Å; Q414-E487 HydrophobicContact CG-CG 4.25Å; Q414-E487 VanDerWaalsContact CG-OE2 3.29Å; Q414-E487 WeakPolarHBondContact CG-OE2 3.4Å; Q414-E487 PolarHBondContact NE2-OE1 2.94Å; Q414-E487 PolarHBondContact NE2-OE2 2.82Å; Q468-E487 PolarHBondContact NE2-O 2.86Å; E487-S489 VanDerWaalsContact C-N 3.26Å; E487-S489 PolarHBondContact O-N 3.39Å; E487-V518 VanDerWaalsContact CA-O 3.27Å; E487-V518 WeakPolarHBondContact CA-O 3.48Å; E487-V518 HydrophobicContact CG-CG1 4.27Å; E487-V518 PolarHBondContact N-O 3.46Å; E487-H520 IonicContact OE1-CD2 3.57Å; E487-H520 PolarHBondContact OE1-CD2 3.43Å; E487-H520 VanDerWaalsContact OE1-CD2 3.29Å; E487-H520 IonicContact OE1-NE2 3.46Å; E487-H520 PolarHBondContact OE1-NE2 2.87Å
488P91.7Very high89.3Confident0 Ų027.6 Ų27.60%014%0.14CC..THydrogen-bonded Turntrans-65.3-24.1172.820.4-25.5000114.1Q468 M472 I485 A490 L492 I504 V517 V518 E519 M524Q468-P488 PolarHBondContact NE2-O 3.46Å; M472-P488 HydrophobicContact CE-CB 4.1Å; M472-P488 HydrophobicContact SD-CB 3.81Å; I485-P488 HydrophobicContact CG2-CB 3.73Å; I485-P488 HydrophobicContact CG2-CG 3.64Å; P488-A490 VanDerWaalsContact C-N 3.34Å; P488-A490 PolarHBondContact O-N 3.3Å; P488-L492 VanDerWaalsContact O-CD1 3.24Å; P488-L492 WeakPolarHBondContact O-CD1 3.49Å; P488-I504 HydrophobicContact CB-CD1 4.16Å; P488-I504 HydrophobicContact CG-CD1 4.19Å; P488-V517 HydrophobicContact CG-CG1 3.76Å; P488-V518 WeakPolarHBondContact CD-O 3.32Å; P488-E519 WeakPolarHBondContact CD-OE1 3.38Å; P488-E519 HydrophobicContact CG-CG 4.24Å; P488-E519 WeakPolarHBondContact CG-OE1 3.45Å; P488-M524 HydrophobicContact CB-CE 3.77Å; P488-M524 HydrophobicContact CG-CE 3.6Å
489S88.3Confident89.1Confident7 Ų725.4 Ų25.45%0.04913%0.133CC..THydrogen-bonded Turntrans-73.6-14.2-179.760.60000116E487 Y491 L492 R497 E519E487-S489 VanDerWaalsContact C-N 3.26Å; E487-S489 PolarHBondContact O-N 3.39Å; S489-Y491 PolarHBondContact O-N 3.37Å; S489-L492 PolarHBondContact O-N 3.47Å; S489-R497 PolarHBondContact O-NE 3.48Å; S489-E519 VanDerWaalsContact CB-OE1 3.22Å; S489-E519 WeakPolarHBondContact CB-OE1 3.13Å; S489-E519 WeakPolarHBondContact CB-OE2 3.2Å; S489-E519 PolarHBondContact N-OE1 3.1Å; S489-E519 VanDerWaalsContact OG-CD 3.29Å; S489-E519 PolarHBondContact OG-OE1 2.79Å; S489-E519 VanDerWaalsContact OG-OE1 3.1Å; S489-E519 PolarHBondContact OG-OE2 3.34Å
490A84.8Confident89.2Confident19 Ų1920.3 Ų20.316%0.15710%0.1CC..THydrogen-bonded Turntrans-58.4135.2-176.500000112.6Q468 P488 L492Q468-A490 WeakPolarHBondContact CG-O 3.22Å; P488-A490 VanDerWaalsContact C-N 3.34Å; P488-A490 PolarHBondContact O-N 3.3Å; A490-L492 PolarHBondContact O-N 3.23Å
491Y82.6Confident89.2Confident118 Ų11820.2 Ų20.246%0.46310%0.099SC..THydrogen-bonded Turntrans59.80.1-179.2-48.7-79.5000116.6Y246 S489Y246-Y491 HydrophobicContact CE1-CE1 4.35Å; Y246-Y491 VanDerWaalsContact OH-CE1 3.29Å; Y246-Y491 WeakPolarHBondContact OH-CE1 3.46Å; Y246-Y491 PolarHBondContact OH-OH 3.19Å; S489-Y491 PolarHBondContact O-N 3.37Å
492L87.9Confident89.2Confident3 Ų320.7 Ų20.72%0.01610%0.099CC..  trans-86.2140.4175.5-60.5-175000109.9Q468 R469 P488 S489 A490 Q496 R497 C500Q468-L492 HydrophobicContact CB-CD2 4.1Å; Q468-L492 HydrophobicContact CG-CD1 4.28Å; Q468-L492 HydrophobicContact CG-CD2 4.02Å; Q468-L492 HydrophobicContact CG-CG 4.02Å; R469-L492 HydrophobicContact CG-CD2 4.11Å; P488-L492 VanDerWaalsContact O-CD1 3.24Å; P488-L492 WeakPolarHBondContact O-CD1 3.49Å; S489-L492 PolarHBondContact O-N 3.47Å; A490-L492 PolarHBondContact O-N 3.23Å; L492-Q496 HydrophobicContact CB-CB 3.92Å; L492-Q496 HydrophobicContact CD2-CB 4.11Å; L492-Q496 HydrophobicContact CG-CB 4.39Å; L492-R497 HydrophobicContact CB-CG 3.62Å; L492-R497 PolarHBondContact O-NE 3.38Å; L492-R497 PolarHBondContact O-NH2 2.93Å; L492-C500 HydrophobicContact CD1-CB 3.91Å
493D86.3Confident89.2Confident4 Ų420.7 Ų20.72%0.02110%0.099CC..  trans-72.8170.1168.164.737.6000111.7T111 N112 H274 E495 Q496 R497T111-D493 WeakPolarHBondContact CA-OD2 3.2Å; N112-D493 PolarHBondContact N-OD2 2.9Å; H274-D493 WeakPolarHBondContact CE1-CB 3.24Å; H274-D493 WeakPolarHBondContact ND1-CA 3.42Å; H274-D493 WeakPolarHBondContact ND1-CB 3.35Å; D493-E495 PolarHBondContact O-N 3.17Å; D493-E495 VanDerWaalsContact O-N 3.16Å; D493-E495 PolarHBondContact OD1-N 3.32Å; D493-Q496 PolarHBondContact O-N 3.33Å; D493-Q496 WeakPolarHBondContact OD1-CB 3.33Å; D493-Q496 VanDerWaalsContact OD1-CG 3.25Å; D493-Q496 WeakPolarHBondContact OD1-CG 3.23Å; D493-Q496 PolarHBondContact OD1-N 2.92Å; D493-R497 VanDerWaalsContact O-CG 3.3Å; D493-R497 WeakPolarHBondContact O-CG 3.31Å; D493-R497 PolarHBondContact O-N 2.91Å
494S83.5Confident89.1Confident12 Ų1220.2 Ų20.28%0.08410%0.097CC..Hα-helixtrans-56-33.1-176.649.70000113.5H274 F312H274-S494 WeakPolarHBondContact O-CB 3.49Å; F312-S494 WeakPolarHBondContact CE1-OG 3.29Å; F312-S494 VanDerWaalsContact CZ-OG 3.24Å; F312-S494 WeakPolarHBondContact CZ-OG 3.31Å
495E84.6Confident88.9Confident57 Ų5721 Ų2127%0.26610%0.1SC..Hα-helixtrans-77.4-47.9178.5180168.7-166.500110.9T111 R325 D493 R497 L498 V499T111-E495 HydrophobicContact CG2-CB 4.3Å; T111-E495 WeakPolarHBondContact CG2-OE2 3.44Å; R325-E495 WeakPolarHBondContact CD-OE1 3.43Å; R325-E495 IonicContact NH1-OE1 3Å; D493-E495 PolarHBondContact O-N 3.17Å; D493-E495 VanDerWaalsContact O-N 3.16Å; D493-E495 PolarHBondContact OD1-N 3.32Å; E495-R497 VanDerWaalsContact C-N 3.3Å; E495-R497 PolarHBondContact O-N 3.18Å; E495-L498 PolarHBondContact O-N 2.94Å; E495-V499 WeakPolarHBondContact O-CG2 3.32Å; E495-V499 PolarHBondContact O-N 3.48Å
496Q88.7Confident88.6Confident41 Ų4126.8 Ų26.819%0.19212%0.122CC..Hα-helixtrans-61.2-36.8178.1-71.6175-7.200112.4L492 D493 V499 C500L492-Q496 HydrophobicContact CB-CB 3.92Å; L492-Q496 HydrophobicContact CD2-CB 4.11Å; L492-Q496 HydrophobicContact CG-CB 4.39Å; D493-Q496 PolarHBondContact O-N 3.33Å; D493-Q496 WeakPolarHBondContact OD1-CB 3.33Å; D493-Q496 VanDerWaalsContact OD1-CG 3.25Å; D493-Q496 WeakPolarHBondContact OD1-CG 3.23Å; D493-Q496 PolarHBondContact OD1-N 2.92Å; Q496-V499 PolarHBondContact O-N 3.01Å; Q496-C500 WeakPolarHBondContact O-CB 3.34Å; Q496-C500 PolarHBondContact O-N 3.43Å
497R89.5Confident88.5Confident22 Ų2228 Ų288%0.08313%0.128CC..Hα-helixtrans-59.3-47.2174.2-73.7-178.8-166.8178.56.2111.7S489 L492 D493 E495 C500 A501 D521S489-R497 PolarHBondContact O-NE 3.48Å; L492-R497 HydrophobicContact CB-CG 3.62Å; L492-R497 PolarHBondContact O-NE 3.38Å; L492-R497 PolarHBondContact O-NH2 2.93Å; D493-R497 VanDerWaalsContact O-CG 3.3Å; D493-R497 WeakPolarHBondContact O-CG 3.31Å; D493-R497 PolarHBondContact O-N 2.91Å; E495-R497 VanDerWaalsContact C-N 3.3Å; E495-R497 PolarHBondContact O-N 3.18Å; R497-C500 WeakPolarHBondContact O-CB 3.32Å; R497-C500 PolarHBondContact O-N 3.35Å; R497-A501 WeakPolarHBondContact O-CB 3.4Å; R497-A501 PolarHBondContact O-N 2.71Å; R497-D521 VanDerWaalsContact CD-OD2 3.22Å; R497-D521 WeakPolarHBondContact CD-OD2 3.35Å; R497-D521 IonicContact CZ-OD2 2.78Å; R497-D521 IonicContact NE-OD2 3.29Å; R497-D521 IonicContact NH1-OD2 3.37Å; R497-D521 PolarHBondContact NH1-OD2 2.87Å
498L85.8Confident88.5Confident7 Ų726.7 Ų26.74%0.03712%0.121CC..Hα-helixtrans-70-38.6-179.2-175.255.6000112.3L329 F331 E495 C500 A501 K502 Y527L329-L498 HydrophobicContact CB-CD2 3.5Å; L329-L498 VanDerWaalsContact CB-CD2 3.5Å; L329-L498 HydrophobicContact CD1-CD2 3.85Å; L329-L498 HydrophobicContact CD2-CD2 3.64Å; L329-L498 HydrophobicContact CD2-CG 4.38Å; L329-L498 HydrophobicContact CG-CD2 3.79Å; F331-L498 HydrophobicContact CD1-CD1 4.27Å; F331-L498 HydrophobicContact CE1-CD1 3.69Å; F331-L498 HydrophobicContact CE1-CD2 3.79Å; F331-L498 HydrophobicContact CE1-CG 4.37Å; F331-L498 HydrophobicContact CZ-CD2 3.88Å; E495-L498 PolarHBondContact O-N 2.94Å; L498-C500 VanDerWaalsContact C-N 3.3Å; L498-A501 PolarHBondContact O-N 3.47Å; L498-K502 WeakPolarHBondContact O-CB 3.38Å; L498-K502 WeakPolarHBondContact O-CG 3.21Å; L498-K502 PolarHBondContact O-N 2.86Å; L498-Y527 HydrophobicContact CD1-CD2 4.46Å; L498-Y527 HydrophobicContact CD1-CG 4.44Å
499V88.7Confident88.2Confident38 Ų3830.8 Ų30.823%0.2314%0.143CC..Hα-helixtrans-61-44172175.10000110.1P448 E495 Q496 A501 K502 V503P448-V499 HydrophobicContact CB-CG1 3.9Å; P448-V499 WeakPolarHBondContact O-CG1 3.18Å; E495-V499 WeakPolarHBondContact O-CG2 3.32Å; E495-V499 PolarHBondContact O-N 3.48Å; Q496-V499 PolarHBondContact O-N 3.01Å; V499-A501 PolarHBondContact O-N 3.2Å; V499-K502 WeakPolarHBondContact O-CB 3.39Å; V499-K502 PolarHBondContact O-N 3.11Å; V499-V503 HydrophobicContact CG1-CG2 4.31Å; V499-V503 WeakPolarHBondContact O-CG2 3.41Å; V499-V503 PolarHBondContact O-N 3.14Å
500C92.3Very high88.1Confident0 Ų035.5 Ų35.50%016%0.164CC..Hα-helixtrans-59.9-44.8176.5-177.20000111.9M449 L492 Q496 R497 L498 K502 V503 I504 M524M449-C500 HydrophobicContact CE-CB 3.88Å; L492-C500 HydrophobicContact CD1-CB 3.91Å; Q496-C500 WeakPolarHBondContact O-CB 3.34Å; Q496-C500 PolarHBondContact O-N 3.43Å; R497-C500 WeakPolarHBondContact O-CB 3.32Å; R497-C500 PolarHBondContact O-N 3.35Å; L498-C500 VanDerWaalsContact C-N 3.3Å; C500-K502 PolarHBondContact O-N 3.44Å; C500-V503 PolarHBondContact O-N 3.13Å; C500-I504 VanDerWaalsContact O-CG1 3.29Å; C500-I504 WeakPolarHBondContact O-CG1 3.3Å; C500-I504 PolarHBondContact O-N 3.04Å; C500-M524 HydrophobicContact CB-CE 4.26Å
501A90.8Very high88.1Confident0 Ų036.6 Ų36.60%017%0.173CC..Hα-helixtrans-61-44.7176.700000111.9R497 L498 V499 V503 I504 K505 M524 Y527 L528R497-A501 WeakPolarHBondContact O-CB 3.4Å; R497-A501 PolarHBondContact O-N 2.71Å; L498-A501 PolarHBondContact O-N 3.47Å; V499-A501 PolarHBondContact O-N 3.2Å; A501-V503 PolarHBondContact O-N 3.03Å; A501-I504 PolarHBondContact O-N 3.06Å; A501-K505 WeakPolarHBondContact O-CB 3.44Å; A501-K505 PolarHBondContact O-N 3.46Å; A501-M524 HydrophobicContact CB-CE 4.05Å; A501-M524 HydrophobicContact CB-CG 3.92Å; A501-M524 HydrophobicContact CB-SD 4.42Å; A501-Y527 HydrophobicContact CB-CD1 3.65Å; A501-Y527 HydrophobicContact CB-CE1 4.26Å; A501-Y527 HydrophobicContact CB-CG 4.47Å; A501-L528 HydrophobicContact CB-CD1 4.5Å; A501-L528 HydrophobicContact CB-CD2 4.18Å; A501-L528 HydrophobicContact CB-CG 4.14Å; A501-L528 VanDerWaalsContact O-CD2 3.24Å; A501-L528 WeakPolarHBondContact O-CD2 3.4Å
502K88.8Confident88.3Confident63 Ų6338.1 Ų38.127%0.27418%0.182SC..Hα-helixtrans-59-44.9174.5-77.1176.3177.9-176.10112.4L498 V499 C500 R506 Y527L498-K502 WeakPolarHBondContact O-CB 3.38Å; L498-K502 WeakPolarHBondContact O-CG 3.21Å; L498-K502 PolarHBondContact O-N 2.86Å; V499-K502 WeakPolarHBondContact O-CB 3.39Å; V499-K502 PolarHBondContact O-N 3.11Å; C500-K502 PolarHBondContact O-N 3.44Å; K502-R506 WeakPolarHBondContact O-CB 3.36Å; K502-R506 PolarHBondContact O-N 3.39Å; K502-Y527 HydrophobicContact CB-CE1 4.47Å; K502-Y527 HydrophobicContact CG-CE1 3.85Å; K502-Y527 WeakPolarHBondContact CG-OH 3Å
503V92.1Very high88.4Confident5 Ų540.8 Ų40.83%0.0319%0.193CC..Hα-helixtrans-63.7-47.5179.3169.80000111D444 V445 P448 M449 L476 V499 C500 A501 F507D444-V503 WeakPolarHBondContact O-CG1 3.15Å; D444-V503 WeakPolarHBondContact O-CG2 3.45Å; V445-V503 HydrophobicContact CB-CG1 4.16Å; V445-V503 HydrophobicContact CG1-CG1 4.08Å; V445-V503 HydrophobicContact CG2-CG1 3.91Å; P448-V503 HydrophobicContact CB-CG2 3.59Å; P448-V503 HydrophobicContact CG-CG2 4.2Å; M449-V503 HydrophobicContact CE-CB 3.91Å; M449-V503 HydrophobicContact CE-CG1 3.86Å; M449-V503 HydrophobicContact CE-CG2 4.18Å; M449-V503 HydrophobicContact CG-CG2 4.49Å; L476-V503 HydrophobicContact CD1-CG1 3.92Å; V499-V503 HydrophobicContact CG1-CG2 4.31Å; V499-V503 WeakPolarHBondContact O-CG2 3.41Å; V499-V503 PolarHBondContact O-N 3.14Å; C500-V503 PolarHBondContact O-N 3.13Å; A501-V503 PolarHBondContact O-N 3.03Å; V503-F507 WeakPolarHBondContact O-CB 3.38Å; V503-F507 PolarHBondContact O-N 2.73Å
504I93.1Very high88.6Confident0 Ų040.7 Ų40.70%019%0.193CC..Hα-helixtrans-59.1-53.9177.8-65.2163.2000109.3M472 I485 P488 C500 A501 R506 F507 I508 M524 L528M472-I504 HydrophobicContact CE-CD1 3.55Å; M472-I504 HydrophobicContact CE-CG1 3.67Å; I485-I504 HydrophobicContact CD1-CD1 4.24Å; I485-I504 HydrophobicContact CD1-CG1 4.23Å; I485-I504 HydrophobicContact CD1-CG2 4.1Å; P488-I504 HydrophobicContact CB-CD1 4.16Å; P488-I504 HydrophobicContact CG-CD1 4.19Å; C500-I504 VanDerWaalsContact O-CG1 3.29Å; C500-I504 WeakPolarHBondContact O-CG1 3.3Å; C500-I504 PolarHBondContact O-N 3.04Å; A501-I504 PolarHBondContact O-N 3.06Å; I504-R506 PolarHBondContact O-N 3.24Å; I504-F507 PolarHBondContact O-N 2.97Å; I504-I508 HydrophobicContact CG2-CG1 4.19Å; I504-I508 WeakPolarHBondContact O-CB 3.37Å; I504-I508 WeakPolarHBondContact O-CG1 3.34Å; I504-I508 PolarHBondContact O-N 3.44Å; I504-M524 HydrophobicContact CD1-CE 3.85Å; I504-L528 HydrophobicContact CB-CD2 3.92Å; I504-L528 HydrophobicContact CD1-CD1 4.3Å; I504-L528 HydrophobicContact CG2-CD2 3.91Å
505K89.8Confident89.1Confident16 Ų1640.1 Ų40.17%0.0719%0.189CC..Hα-helixtrans-58.3-49.2-177.4-169.6163.5-164.9160.70112.1I374 A501 I508 L509 Y527 L528I374-K505 HydrophobicContact CD1-CB 4.25Å; I374-K505 HydrophobicContact CD1-CG 4.16Å; A501-K505 WeakPolarHBondContact O-CB 3.44Å; A501-K505 PolarHBondContact O-N 3.46Å; K505-I508 PolarHBondContact O-N 2.83Å; K505-L509 HydrophobicContact CG-CD1 3.88Å; K505-L509 WeakPolarHBondContact O-CB 3.45Å; K505-L509 WeakPolarHBondContact O-CD1 3.2Å; K505-L509 VanDerWaalsContact O-CG 3.25Å; K505-L509 WeakPolarHBondContact O-CG 3.18Å; K505-L509 PolarHBondContact O-N 2.96Å; K505-Y527 HydrophobicContact CB-CE1 4.29Å; K505-Y527 HydrophobicContact CD-CD1 4.42Å; K505-Y527 HydrophobicContact CD-CE1 4.04Å; K505-Y527 WeakPolarHBondContact CD-O 3.49Å; K505-Y527 PolarHBondContact NZ-O 2.91Å; K505-L528 HydrophobicContact CB-CD2 4.15Å
506R88.4Confident89.6Confident122 Ų12237.4 Ų37.446%0.4618%0.176SC..Hα-helixtrans-62.4-45.3179.7179.3169.9171.8173.5-7112.2D444 K502 I504 H510D444-R506 IonicContact OD1-CZ 3.34Å; D444-R506 IonicContact OD1-NE 3.79Å; D444-R506 PolarHBondContact OD1-NE 2.98Å; D444-R506 IonicContact OD1-NH2 3.75Å; D444-R506 PolarHBondContact OD1-NH2 3Å; K502-R506 WeakPolarHBondContact O-CB 3.36Å; K502-R506 PolarHBondContact O-N 3.39Å; I504-R506 PolarHBondContact O-N 3.24Å; R506-H510 WeakPolarHBondContact CG-CD2 3.35Å; R506-H510 WeakPolarHBondContact O-CB 3.31Å; R506-H510 PolarHBondContact O-CD2 3.44Å; R506-H510 PolarHBondContact O-N 3.28Å
507F91.2Very high89.9Confident26 Ų2635.5 Ų35.511%0.11417%0.167CC..Hα-helixtrans-64-46.5179.9177.9-94.5000111.7F441 V445 L476 Y483 V503 I504 L509 H510 A511F441-F507 HydrophobicContact CD2-CD2 4.45Å; F441-F507 AromaticContact CD2-CE2 3.94Å; F441-F507 HydrophobicContact CD2-CE2 3.94Å; F441-F507 HydrophobicContact CE2-CE2 4.17Å; V445-F507 HydrophobicContact CG2-CD2 3.98Å; V445-F507 HydrophobicContact CG2-CG 4.45Å; L476-F507 HydrophobicContact CB-CD1 4.22Å; L476-F507 HydrophobicContact CB-CE1 4.11Å; L476-F507 HydrophobicContact CB-CZ 4.33Å; L476-F507 HydrophobicContact CD2-CD1 3.68Å; L476-F507 HydrophobicContact CD2-CE1 4.02Å; L476-F507 HydrophobicContact CD2-CG 4.4Å; L476-F507 HydrophobicContact CG-CD1 4.37Å; L476-F507 WeakPolarHBondContact O-CZ 3.21Å; Y483-F507 HydrophobicContact CE1-CE1 4.09Å; Y483-F507 HydrophobicContact CE2-CE1 4.02Å; Y483-F507 AromaticContact CZ-CE1 3.66Å; V503-F507 WeakPolarHBondContact O-CB 3.38Å; V503-F507 PolarHBondContact O-N 2.73Å; I504-F507 PolarHBondContact O-N 2.97Å; F507-L509 PolarHBondContact O-N 3.49Å; F507-H510 PolarHBondContact O-N 2.8Å; F507-A511 HydrophobicContact CE1-CB 4.3Å; F507-A511 HydrophobicContact CZ-CB 4.32Å; F507-A511 WeakPolarHBondContact O-CB 3.43Å; F507-A511 PolarHBondContact O-N 3.19Å
508I90.1Very high90.1Very high0 Ų034.4 Ų34.40%016%0.163CC..Hα-helixtrans-63-43.2-178.7-67-60.3000111.4I374 Y483 I504 K505 K512 K513 A515I374-I508 HydrophobicContact CD1-CB 4.26Å; I374-I508 HydrophobicContact CD1-CG2 4.23Å; I374-I508 HydrophobicContact CG1-CB 4.34Å; I374-I508 HydrophobicContact CG1-CG2 3.81Å; Y483-I508 HydrophobicContact CD2-CD1 3.56Å; Y483-I508 HydrophobicContact CE2-CD1 4.17Å; Y483-I508 HydrophobicContact CG-CD1 4.05Å; I504-I508 HydrophobicContact CG2-CG1 4.19Å; I504-I508 WeakPolarHBondContact O-CB 3.37Å; I504-I508 WeakPolarHBondContact O-CG1 3.34Å; I504-I508 PolarHBondContact O-N 3.44Å; K505-I508 PolarHBondContact O-N 2.83Å; I508-K512 PolarHBondContact O-N 2.91Å; I508-K513 HydrophobicContact CD1-CB 4.5Å; I508-K513 WeakPolarHBondContact CG2-O 3.31Å; I508-K513 PolarHBondContact O-N 3.04Å; I508-A515 HydrophobicContact CD1-CB 3.78Å; I508-A515 HydrophobicContact CG1-CB 3.89Å
509L85.4Confident90.4Very high87 Ų8734.1 Ų34.146%0.45516%0.161SC..Hα-helixtrans-64.5-45.9176-70.7169.3000112.5K505 F507 K512K505-L509 HydrophobicContact CG-CD1 3.88Å; K505-L509 WeakPolarHBondContact O-CB 3.45Å; K505-L509 WeakPolarHBondContact O-CD1 3.2Å; K505-L509 VanDerWaalsContact O-CG 3.25Å; K505-L509 WeakPolarHBondContact O-CG 3.18Å; K505-L509 PolarHBondContact O-N 2.96Å; F507-L509 PolarHBondContact O-N 3.49Å; L509-K512 PolarHBondContact O-N 3.22Å
510H85.5Confident90.3Very high106 Ų10632.6 Ų32.649%0.49115%0.152SC..Hα-helixtrans-69.4-38.3179.3-76.5-57.8000113.1D444 R506 F507 K512D444-H510 IonicContact OD2-CD2 3.8Å; R506-H510 WeakPolarHBondContact CG-CD2 3.35Å; R506-H510 WeakPolarHBondContact O-CB 3.31Å; R506-H510 PolarHBondContact O-CD2 3.44Å; R506-H510 PolarHBondContact O-N 3.28Å; F507-H510 PolarHBondContact O-N 2.8Å; H510-K512 PolarHBondContact O-N 2.84Å
511A85.5Confident90.1Very high41 Ų4133 Ų3334%0.33915%0.154SC..Hα-helixtrans-78.2-10.9179.800000112.8F507 K513F507-A511 HydrophobicContact CE1-CB 4.3Å; F507-A511 HydrophobicContact CZ-CB 4.32Å; F507-A511 WeakPolarHBondContact O-CB 3.43Å; F507-A511 PolarHBondContact O-N 3.19Å; A511-K513 VanDerWaalsContact C-N 3.27Å; A511-K513 HydrophobicContact CB-CB 4.48Å; A511-K513 HydrophobicContact CB-CG 3.87Å; A511-K513 WeakPolarHBondContact O-CG 3.31Å; A511-K513 PolarHBondContact O-N 2.94Å
512K86.8Confident89.8Confident151 Ų15133.3 Ų33.366%0.65716%0.155SC*.THydrogen-bonded Turntrans52.144.1-173.8-60.1-173.2176.4-1700112.7S372 I508 L509 H510S372-K512 VanDerWaalsContact OG-CA 3.28Å; S372-K512 WeakPolarHBondContact OG-CA 3.36Å; S372-K512 WeakPolarHBondContact OG-CB 3.49Å; I508-K512 PolarHBondContact O-N 2.91Å; L509-K512 PolarHBondContact O-N 3.22Å; H510-K512 PolarHBondContact O-N 2.84Å
513K89.5Confident89.7Confident59 Ų5930.9 Ų30.926%0.25715%0.145SC..  trans-110.2172.3-179.6-62.2-52.2-165.2172.60110.3S372 A480 D481 Y483 I508 A511S372-K513 WeakPolarHBondContact CA-O 3.43Å; S372-K513 PolarHBondContact N-O 3.31Å; A480-K513 WeakPolarHBondContact O-CE 3.38Å; D481-K513 IonicContact OD1-NZ 3.18Å; D481-K513 PolarHBondContact OD1-NZ 2.91Å; Y483-K513 HydrophobicContact CD2-CB 4.08Å; Y483-K513 HydrophobicContact CE2-CB 3.71Å; Y483-K513 HydrophobicContact CE2-CG 3.94Å; I508-K513 HydrophobicContact CD1-CB 4.5Å; I508-K513 WeakPolarHBondContact CG2-O 3.31Å; I508-K513 PolarHBondContact O-N 3.04Å; A511-K513 VanDerWaalsContact C-N 3.27Å; A511-K513 HydrophobicContact CB-CB 4.48Å; A511-K513 HydrophobicContact CB-CG 3.87Å; A511-K513 WeakPolarHBondContact O-CG 3.31Å; A511-K513 PolarHBondContact O-N 2.94Å
514T91.1Very high89.5Confident1 Ų130.9 Ų30.91%0.00615%0.145CC..EExtended strand (participates in β ladder)trans-108.7150.4175.2-1760000110.8F369 E373 D481 V482 Y483F369-T514 HydrophobicContact CD2-CG2 4.01Å; F369-T514 HydrophobicContact CE2-CG2 3.93Å; E373-T514 WeakPolarHBondContact O-CA 3.25Å; E373-T514 PolarHBondContact O-OG1 3.02Å; D481-T514 PolarHBondContact O-N 3.31Å; V482-T514 HydrophobicContact CB-CG2 4.09Å; V482-T514 HydrophobicContact CG1-CG2 4.09Å; V482-T514 HydrophobicContact CG2-CG2 3.66Å; Y483-T514 PolarHBondContact N-O 3.34Å
515A94.1Very high89.3Confident0 Ų030.9 Ų30.90%015%0.145CC..EExtended strand (participates in β ladder)trans-132.7134.6175.200000112.4E373 I374 M375 Y483 I508 V517E373-A515 PolarHBondContact O-N 2.87Å; E373-A515 VanDerWaalsContact O-N 3.09Å; I374-A515 WeakPolarHBondContact CA-O 3.42Å; I374-A515 HydrophobicContact CG1-CB 4.43Å; M375-A515 PolarHBondContact N-O 3.07Å; Y483-A515 CarbonylContact O-C 3.58Å; Y483-A515 VanDerWaalsContact O-CA 3.22Å; Y483-A515 WeakPolarHBondContact O-CA 3.41Å; I508-A515 HydrophobicContact CD1-CB 3.78Å; I508-A515 HydrophobicContact CG1-CB 3.89Å; A515-V517 HydrophobicContact CB-CG2 4.3Å
516F95Very high89.1Confident1 Ų130.7 Ų30.70%0.00415%0.145CC..EExtended strand (participates in β ladder)trans-102.8121.7164.5-65.9-108.2000108.8F369 M375 M377 L392 V482 Y483 L484 I485 I533F369-F516 HydrophobicContact CD1-CZ 4.15Å; F369-F516 HydrophobicContact CE1-CZ 4.34Å; F369-F516 HydrophobicContact CG-CZ 4.31Å; M375-F516 HydrophobicContact CB-CD1 4.22Å; M375-F516 HydrophobicContact CE-CD1 3.64Å; M375-F516 HydrophobicContact CE-CD2 4.26Å; M375-F516 HydrophobicContact CE-CE1 3.02Å; M375-F516 HydrophobicContact CE-CE2 3.67Å; M375-F516 HydrophobicContact CE-CG 4.26Å; M375-F516 HydrophobicContact CE-CZ 3.03Å; M375-F516 CarbonylContact O-C 3.57Å; M375-F516 WeakPolarHBondContact O-CA 3.34Å; M375-F516 HydrophobicContact SD-CE1 4.28Å; M377-F516 HydrophobicContact CE-CB 4.03Å; M377-F516 HydrophobicContact CE-CD1 3.41Å; M377-F516 VanDerWaalsContact CE-CD1 3.41Å; M377-F516 HydrophobicContact CE-CE1 4.19Å; M377-F516 HydrophobicContact CE-CG 4.13Å; L392-F516 HydrophobicContact CD1-CD1 3.73Å; L392-F516 HydrophobicContact CD1-CD2 4.3Å; L392-F516 HydrophobicContact CD1-CE1 3.49Å; L392-F516 VanDerWaalsContact CD1-CE1 3.49Å; L392-F516 HydrophobicContact CD1-CE2 4.18Å; L392-F516 HydrophobicContact CD1-CG 4.08Å; L392-F516 HydrophobicContact CD1-CZ 3.74Å; V482-F516 HydrophobicContact CG1-CD2 3.64Å; V482-F516 HydrophobicContact CG1-CE2 3.75Å; Y483-F516 PolarHBondContact O-N 3.1Å; L484-F516 HydrophobicContact CD2-CB 3.65Å; L484-F516 HydrophobicContact CD2-CD2 3.62Å; L484-F516 HydrophobicContact CD2-CE2 4.47Å; L484-F516 HydrophobicContact CD2-CG 3.85Å; I485-F516 PolarHBondContact N-O 2.8Å; F516-I533 HydrophobicContact CD1-CD1 4.45Å; F516-I533 HydrophobicContact CE1-CD1 4.3Å
517V95.5Very high89Confident0 Ų026.8 Ų26.80%013%0.131CC..EExtended strand (participates in β ladder)trans-120.5121.8-176.4-175.20000109.6I374 M375 V376 M377 I485 P488 A515 E519 L528I374-V517 HydrophobicContact CG2-CG2 4.05Å; M375-V517 PolarHBondContact O-N 3.09Å; V376-V517 CarbonylContact C-O 3.57Å; V376-V517 VanDerWaalsContact CA-O 3.27Å; V376-V517 WeakPolarHBondContact CA-O 3.3Å; V376-V517 HydrophobicContact CG2-CB 4.34Å; M377-V517 PolarHBondContact N-O 2.84Å; I485-V517 HydrophobicContact CB-CG2 4.3Å; I485-V517 HydrophobicContact CD1-CG2 4.37Å; I485-V517 CarbonylContact O-C 3.47Å; I485-V517 WeakPolarHBondContact O-CA 3.11Å; P488-V517 HydrophobicContact CG-CG1 3.76Å; A515-V517 HydrophobicContact CB-CG2 4.3Å; V517-E519 HydrophobicContact CG1-CG 3.83Å; V517-L528 HydrophobicContact CG1-CD1 4Å
518V93.6Very high88.9Confident0 Ų025.6 Ų25.60%013%0.125CC..EExtended strand (participates in β ladder)trans-90.6122.3168.6171.10000108.1M377 K385 I389 I485 E487 P488M377-V518 HydrophobicContact CB-CG2 3.8Å; M377-V518 HydrophobicContact CG-CG2 4.25Å; M377-V518 HydrophobicContact SD-CG2 3.77Å; K385-V518 HydrophobicContact CB-CG1 4.15Å; K385-V518 HydrophobicContact CB-CG2 3.98Å; K385-V518 HydrophobicContact CD-CG1 3.99Å; I389-V518 HydrophobicContact CD1-CB 4.25Å; I389-V518 HydrophobicContact CD1-CG2 3.36Å; I389-V518 HydrophobicContact CG1-CG2 4.14Å; I485-V518 PolarHBondContact O-N 2.96Å; E487-V518 VanDerWaalsContact CA-O 3.27Å; E487-V518 WeakPolarHBondContact CA-O 3.48Å; E487-V518 HydrophobicContact CG-CG1 4.27Å; E487-V518 PolarHBondContact N-O 3.46Å; P488-V518 WeakPolarHBondContact CD-O 3.32Å
519E90.6Very high88.9Confident0 Ų025.8 Ų25.80%013%0.127CC..  trans-138.2153.5-179.8-92.4-60.9159.700112.8V376 L378 P488 S489 V517 D521 M524 A525V376-E519 HydrophobicContact CG1-CB 4.44Å; L378-E519 WeakPolarHBondContact CD2-O 3.36Å; P488-E519 WeakPolarHBondContact CD-OE1 3.38Å; P488-E519 HydrophobicContact CG-CG 4.24Å; P488-E519 WeakPolarHBondContact CG-OE1 3.45Å; S489-E519 VanDerWaalsContact CB-OE1 3.22Å; S489-E519 WeakPolarHBondContact CB-OE1 3.13Å; S489-E519 WeakPolarHBondContact CB-OE2 3.2Å; S489-E519 PolarHBondContact N-OE1 3.1Å; S489-E519 VanDerWaalsContact OG-CD 3.29Å; S489-E519 PolarHBondContact OG-OE1 2.79Å; S489-E519 VanDerWaalsContact OG-OE1 3.1Å; S489-E519 PolarHBondContact OG-OE2 3.34Å; V517-E519 HydrophobicContact CG1-CG 3.83Å; E519-D521 PolarHBondContact OE2-N 3.47Å; E519-M524 HydrophobicContact CG-CG 4.11Å; E519-M524 HydrophobicContact CG-SD 4.42Å; E519-M524 VanDerWaalsContact OE1-SD 3.38Å; E519-A525 HydrophobicContact CB-CB 4.31Å
520H86.9Confident89Confident7 Ų724.6 Ų24.63%0.03212%0.121CC..  trans-121.1-12.5174.1-73-75.5000112.2V249 R252 G379 N381 K385 E487V249-H520 WeakPolarHBondContact CG2-O 3.43Å; R252-H520 PolarHBondContact NH1-O 2.93Å; R252-H520 VanDerWaalsContact NH2-CB 3.33Å; G379-H520 PolarHBondContact O-CE1 2.76Å; N381-H520 PolarHBondContact OD1-CE1 2.82Å; N381-H520 VanDerWaalsContact OD1-CE1 3.26Å; N381-H520 PolarHBondContact OD1-NE2 3.36Å; K385-H520 PolarHBondContact NZ-CE1 2.65Å; K385-H520 PolarHBondContact NZ-NE2 3.43Å; E487-H520 IonicContact OE1-CD2 3.57Å; E487-H520 PolarHBondContact OE1-CD2 3.43Å; E487-H520 VanDerWaalsContact OE1-CD2 3.29Å; E487-H520 IonicContact OE1-NE2 3.46Å; E487-H520 PolarHBondContact OE1-NE2 2.87Å
521D87.4Confident89.2Confident7 Ų722.5 Ų22.54%0.03711%0.109CC..  trans-86.1115.7173.6-171.5-33.2000109.7R497 E519 I523 M524 A525R497-D521 VanDerWaalsContact CD-OD2 3.22Å; R497-D521 WeakPolarHBondContact CD-OD2 3.35Å; R497-D521 IonicContact CZ-OD2 2.78Å; R497-D521 IonicContact NE-OD2 3.29Å; R497-D521 IonicContact NH1-OD2 3.37Å; R497-D521 PolarHBondContact NH1-OD2 2.87Å; E519-D521 PolarHBondContact OE2-N 3.47Å; D521-I523 VanDerWaalsContact C-N 3.27Å; D521-I523 PolarHBondContact O-N 2.73Å; D521-I523 WeakPolarHBondContact OD1-CB 3.39Å; D521-I523 PolarHBondContact OD1-N 3.25Å; D521-M524 HydrophobicContact CB-CB 4.04Å; D521-M524 PolarHBondContact O-N 2.91Å; D521-M524 PolarHBondContact OD1-N 2.97Å; D521-A525 VanDerWaalsContact O-CB 3.31Å; D521-A525 WeakPolarHBondContact O-CB 3.27Å; D521-A525 PolarHBondContact O-N 2.88Å
522F86.2Confident89.6Confident8 Ų820.6 Ų20.64%0.0359%0.093CC..Hα-helixtrans-59.8-36.5-179.1-74.9-69.8000113.5V249 T526 M555 F558 L559 F566V249-F522 HydrophobicContact CB-CE2 4.33Å; V249-F522 HydrophobicContact CB-CZ 4.25Å; V249-F522 HydrophobicContact CG1-CE1 4.28Å; V249-F522 HydrophobicContact CG1-CE2 3.4Å; V249-F522 HydrophobicContact CG1-CZ 3.22Å; V249-F522 HydrophobicContact CG2-CE2 4.03Å; V249-F522 HydrophobicContact CG2-CZ 4.01Å; F522-T526 WeakPolarHBondContact O-CB 3.42Å; F522-T526 VanDerWaalsContact O-CG2 3.25Å; F522-T526 WeakPolarHBondContact O-CG2 3.41Å; F522-T526 PolarHBondContact O-N 3.17Å; F522-T526 PolarHBondContact O-OG1 2.75Å; F522-M555 HydrophobicContact CD1-CE 3.91Å; F522-M555 HydrophobicContact CE1-CE 4.34Å; F522-F558 HydrophobicContact CE1-CD1 4.13Å; F522-F558 AromaticContact CE1-CE1 3.76Å; F522-F558 HydrophobicContact CE1-CE1 3.76Å; F522-F558 HydrophobicContact CZ-CE1 4.09Å; F522-L559 HydrophobicContact CE1-CD2 3.68Å; F522-L559 HydrophobicContact CZ-CD2 3.75Å; F522-F566 HydrophobicContact CB-CE1 4.33Å; F522-F566 HydrophobicContact CB-CZ 4.25Å; F522-F566 HydrophobicContact CD1-CE2 4.37Å; F522-F566 HydrophobicContact CD1-CZ 4.02Å; F522-F566 HydrophobicContact CD2-CE1 4.21Å; F522-F566 HydrophobicContact CD2-CE2 4.19Å; F522-F566 AromaticContact CD2-CZ 3.39Å; F522-F566 HydrophobicContact CD2-CZ 3.39Å; F522-F566 HydrophobicContact CE1-CE2 4.02Å; F522-F566 HydrophobicContact CE1-CZ 4.07Å; F522-F566 AromaticContact CE2-CE2 3.78Å; F522-F566 HydrophobicContact CE2-CE2 3.78Å; F522-F566 AromaticContact CE2-CZ 3.41Å; F522-F566 HydrophobicContact CE2-CZ 3.41Å; F522-F566 VanDerWaalsContact CE2-CZ 3.41Å; F522-F566 HydrophobicContact CG-CE1 4.21Å; F522-F566 HydrophobicContact CG-CE2 4.41Å; F522-F566 AromaticContact CG-CZ 3.65Å; F522-F566 HydrophobicContact CG-CZ 3.65Å; F522-F566 AromaticContact CZ-CE2 3.64Å; F522-F566 HydrophobicContact CZ-CE2 3.64Å; F522-F566 AromaticContact CZ-CZ 3.72Å; F522-F566 HydrophobicContact CZ-CZ 3.72Å
523I85.3Confident90Very high12 Ų1213.4 Ų13.46%0.0626%0.062CC..Hα-helixtrans-67.7-44.3-178.3-67173.5000109.1L276 F331 D521 T526 Y527 P575L276-I523 HydrophobicContact CB-CD1 3.72Å; L276-I523 HydrophobicContact CD1-CD1 4.12Å; L276-I523 HydrophobicContact CG-CD1 4.32Å; F331-I523 HydrophobicContact CD1-CG2 3.7Å; F331-I523 HydrophobicContact CE1-CB 4.5Å; F331-I523 HydrophobicContact CE1-CG2 3.01Å; F331-I523 HydrophobicContact CZ-CG2 3.56Å; D521-I523 VanDerWaalsContact C-N 3.27Å; D521-I523 PolarHBondContact O-N 2.73Å; D521-I523 WeakPolarHBondContact OD1-CB 3.39Å; D521-I523 PolarHBondContact OD1-N 3.25Å; I523-T526 PolarHBondContact O-OG1 2.88Å; I523-Y527 VanDerWaalsContact O-CB 3.25Å; I523-Y527 WeakPolarHBondContact O-CB 3.42Å; I523-Y527 PolarHBondContact O-N 2.83Å; I523-Y527 VanDerWaalsContact O-N 3.1Å; I523-P575 HydrophobicContact CG1-CG 3.82Å
524M88.1Confident90.2Very high4 Ų410.6 Ų10.62%0.025%0.05CC..Hα-helixtrans-67.8-44.4177.2-171.9156.5-175.200111.8P488 C500 A501 I504 E519 D521 Y527 L528P488-M524 HydrophobicContact CB-CE 3.77Å; P488-M524 HydrophobicContact CG-CE 3.6Å; C500-M524 HydrophobicContact CB-CE 4.26Å; A501-M524 HydrophobicContact CB-CE 4.05Å; A501-M524 HydrophobicContact CB-CG 3.92Å; A501-M524 HydrophobicContact CB-SD 4.42Å; I504-M524 HydrophobicContact CD1-CE 3.85Å; E519-M524 HydrophobicContact CG-CG 4.11Å; E519-M524 HydrophobicContact CG-SD 4.42Å; E519-M524 VanDerWaalsContact OE1-SD 3.38Å; D521-M524 HydrophobicContact CB-CB 4.04Å; D521-M524 PolarHBondContact O-N 2.91Å; D521-M524 PolarHBondContact OD1-N 2.97Å; M524-Y527 PolarHBondContact O-N 3.46Å; M524-L528 HydrophobicContact CE-CD1 3.81Å; M524-L528 HydrophobicContact CG-CD1 3.72Å; M524-L528 HydrophobicContact CG-CG 4.35Å; M524-L528 WeakPolarHBondContact O-CB 3.41Å; M524-L528 VanDerWaalsContact O-CG 3.3Å; M524-L528 WeakPolarHBondContact O-CG 3.38Å; M524-L528 PolarHBondContact O-N 2.93Å
525A89.1Confident90.3Very high1 Ų110.8 Ų10.81%0.0085%0.05CC..Hα-helixtrans-58.5-50.4177.800000111.9V376 L378 E519 D521 Y527 L528 A529V376-A525 HydrophobicContact CG1-CB 3.94Å; L378-A525 HydrophobicContact CD2-CB 4.04Å; E519-A525 HydrophobicContact CB-CB 4.31Å; D521-A525 VanDerWaalsContact O-CB 3.31Å; D521-A525 WeakPolarHBondContact O-CB 3.27Å; D521-A525 PolarHBondContact O-N 2.88Å; A525-Y527 VanDerWaalsContact C-N 3.31Å; A525-Y527 PolarHBondContact O-N 2.88Å; A525-L528 PolarHBondContact O-N 2.96Å; A525-A529 WeakPolarHBondContact O-CB 3.47Å; A525-A529 PolarHBondContact O-N 3.33Å
526T86.5Confident90.1Very high11 Ų1112.2 Ų12.27%0.0676%0.058CC..Hα-helixtrans-68-29.7179.753.10000113.4F522 I523 M555 F595F522-T526 WeakPolarHBondContact O-CB 3.42Å; F522-T526 VanDerWaalsContact O-CG2 3.25Å; F522-T526 WeakPolarHBondContact O-CG2 3.41Å; F522-T526 PolarHBondContact O-N 3.17Å; F522-T526 PolarHBondContact O-OG1 2.75Å; I523-T526 PolarHBondContact O-OG1 2.88Å; T526-M555 HydrophobicContact CG2-CE 3.45Å; T526-M555 VanDerWaalsContact CG2-CE 3.45Å; T526-M555 HydrophobicContact CG2-SD 4.4Å; T526-F595 HydrophobicContact CG2-CE2 3.84Å; T526-F595 HydrophobicContact CG2-CZ 3.57Å
527Y86.3Confident89.8Confident41 Ų4114.7 Ų14.716%0.1618%0.084CC..Hα-helixtrans-73-38.8176.3-173.6-93.8000112.2L498 A501 K502 K505 I523 M524 A525L498-Y527 HydrophobicContact CD1-CD2 4.46Å; L498-Y527 HydrophobicContact CD1-CG 4.44Å; A501-Y527 HydrophobicContact CB-CD1 3.65Å; A501-Y527 HydrophobicContact CB-CE1 4.26Å; A501-Y527 HydrophobicContact CB-CG 4.47Å; K502-Y527 HydrophobicContact CB-CE1 4.47Å; K502-Y527 HydrophobicContact CG-CE1 3.85Å; K502-Y527 WeakPolarHBondContact CG-OH 3Å; K505-Y527 HydrophobicContact CB-CE1 4.29Å; K505-Y527 HydrophobicContact CD-CD1 4.42Å; K505-Y527 HydrophobicContact CD-CE1 4.04Å; K505-Y527 WeakPolarHBondContact CD-O 3.49Å; K505-Y527 PolarHBondContact NZ-O 2.91Å; I523-Y527 VanDerWaalsContact O-CB 3.25Å; I523-Y527 WeakPolarHBondContact O-CB 3.42Å; I523-Y527 PolarHBondContact O-N 2.83Å; I523-Y527 VanDerWaalsContact O-N 3.1Å; M524-Y527 PolarHBondContact O-N 3.46Å; A525-Y527 VanDerWaalsContact C-N 3.31Å; A525-Y527 PolarHBondContact O-N 2.88Å
528L89.3Confident89.2Confident0 Ų019.8 Ų19.80%011%0.11CC..Hα-helixtrans-82.9-42.1-176.5-73.5176.9000113.6I374 V376 A501 I504 K505 V517 M524 A525 D530I374-L528 VanDerWaalsContact CB-O 3.31Å; I374-L528 WeakPolarHBondContact CB-O 3.47Å; I374-L528 HydrophobicContact CD1-CD2 4.46Å; I374-L528 HydrophobicContact CG2-CB 4.2Å; I374-L528 WeakPolarHBondContact CG2-O 3.46Å; V376-L528 HydrophobicContact CG2-CB 4.11Å; A501-L528 HydrophobicContact CB-CD1 4.5Å; A501-L528 HydrophobicContact CB-CD2 4.18Å; A501-L528 HydrophobicContact CB-CG 4.14Å; A501-L528 VanDerWaalsContact O-CD2 3.24Å; A501-L528 WeakPolarHBondContact O-CD2 3.4Å; I504-L528 HydrophobicContact CB-CD2 3.92Å; I504-L528 HydrophobicContact CD1-CD1 4.3Å; I504-L528 HydrophobicContact CG2-CD2 3.91Å; K505-L528 HydrophobicContact CB-CD2 4.15Å; V517-L528 HydrophobicContact CG1-CD1 4Å; M524-L528 HydrophobicContact CE-CD1 3.81Å; M524-L528 HydrophobicContact CG-CD1 3.72Å; M524-L528 HydrophobicContact CG-CG 4.35Å; M524-L528 WeakPolarHBondContact O-CB 3.41Å; M524-L528 VanDerWaalsContact O-CG 3.3Å; M524-L528 WeakPolarHBondContact O-CG 3.38Å; M524-L528 PolarHBondContact O-N 2.93Å; A525-L528 PolarHBondContact O-N 2.96Å; L528-D530 PolarHBondContact O-N 3.11Å
529A88.4Confident88.7Confident5 Ų521.6 Ų21.64%0.04112%0.122CC..  trans-69127.7-16700000113.2V376 A525 V532 L551V376-A529 HydrophobicContact CB-CB 3.8Å; V376-A529 HydrophobicContact CG2-CB 3.5Å; V376-A529 VanDerWaalsContact CG2-CB 3.5Å; A525-A529 WeakPolarHBondContact O-CB 3.47Å; A525-A529 PolarHBondContact O-N 3.33Å; A529-V532 HydrophobicContact CB-CG2 3.87Å; A529-L551 HydrophobicContact CB-CD1 3.73Å
530D87.8Confident88.2Confident61 Ų6125.4 Ų25.433%0.32615%0.148SC..SBendtrans-93.8-43.7159.1-54.6-48.6000109E373 I374 L528E373-D530 HydrophobicContact CG-CB 4.16Å; I374-D530 PolarHBondContact N-OD2 3.44Å; I374-D530 PolarHBondContact O-N 3.14Å; L528-D530 PolarHBondContact O-N 3.11Å
531R91.1Very high88.2Confident62 Ų6233.5 Ų33.523%0.23418%0.179CC..EExtended strand (participates in β ladder)trans-124.5157170.1-74.8176.384.8-172.33.8112E368 E373 I374 M375 V376 P548 Q549E368-R531 PolarHBondContact O-NH1 3.3Å; E373-R531 WeakPolarHBondContact OE1-CD 3.47Å; E373-R531 WeakPolarHBondContact OE1-CG 3.29Å; E373-R531 IonicContact OE2-NH1 3.46Å; I374-R531 PolarHBondContact O-N 3.21Å; M375-R531 WeakPolarHBondContact CA-O 3.44Å; M375-R531 HydrophobicContact CG-CB 4.17Å; V376-R531 PolarHBondContact N-O 3.1Å; R531-P548 HydrophobicContact CB-CB 4.43Å; R531-P548 PolarHBondContact NE-O 3.22Å; R531-P548 PolarHBondContact NH2-O 3.01Å; R531-Q549 CarbonylContact C-O 3.56Å; R531-Q549 WeakPolarHBondContact CA-O 3.26Å; R531-Q549 VanDerWaalsContact CB-O 3.26Å; R531-Q549 WeakPolarHBondContact CB-O 3.21Å; R531-Q549 WeakPolarHBondContact CG-O 3.5Å
532V93.1Very high88.3Confident1 Ų136.7 Ų36.71%0.00620%0.202CC..EExtended strand (participates in β ladder)trans-126.7132.6-177.4178.20000110.2V376 L378 A529 V534 Q549 L551V376-V532 CarbonylContact O-C 3.59Å; V376-V532 VanDerWaalsContact O-CA 3.29Å; V376-V532 WeakPolarHBondContact O-CA 3.36Å; L378-V532 HydrophobicContact CB-CG1 4.43Å; L378-V532 HydrophobicContact CD1-CG1 3.69Å; L378-V532 HydrophobicContact CG-CG1 3.99Å; A529-V532 HydrophobicContact CB-CG2 3.87Å; V532-V534 HydrophobicContact CG1-CG2 3.95Å; V532-Q549 PolarHBondContact N-O 2.83Å; V532-Q549 PolarHBondContact O-N 3.32Å; V532-L551 HydrophobicContact CG2-CD1 3.73Å
533I95Very high88.6Confident0 Ų036.5 Ų36.50%020%0.201CC..EExtended strand (participates in β ladder)trans-104.8113170.3-63174000107.2M375 V376 M377 L378 F388 F516 F535 A545 P548M375-I533 HydrophobicContact SD-CD1 4.05Å; V376-I533 PolarHBondContact O-N 3.36Å; M377-I533 WeakPolarHBondContact CA-O 3.33Å; M377-I533 HydrophobicContact CG-CB 4.28Å; L378-I533 PolarHBondContact N-O 2.86Å; F388-I533 HydrophobicContact CE1-CD1 4.13Å; F516-I533 HydrophobicContact CD1-CD1 4.45Å; F516-I533 HydrophobicContact CE1-CD1 4.3Å; I533-F535 HydrophobicContact CG2-CD2 4.24Å; I533-F535 HydrophobicContact CG2-CE2 3.84Å; I533-A545 HydrophobicContact CG2-CB 4.39Å; I533-P548 HydrophobicContact CD1-CB 4.39Å; I533-P548 HydrophobicContact CD1-CG 3.98Å; I533-P548 HydrophobicContact CG1-CB 3.82Å; I533-P548 HydrophobicContact CG1-CG 3.85Å
534V94.4Very high89Confident1 Ų137.1 Ų37.11%0.00621%0.208CC..EExtended strand (participates in β ladder)trans-94.6130.8178.2-172.60000109.2V532 D536 N546 G554 F558V532-V534 HydrophobicContact CG1-CG2 3.95Å; V534-D536 WeakPolarHBondContact CG1-OD1 3.42Å; V534-N546 WeakPolarHBondContact O-CB 3.47Å; V534-N546 PolarHBondContact O-N 3.24Å; V534-N546 PolarHBondContact O-ND2 3.48Å; V534-G554 WeakPolarHBondContact CG2-O 3.37Å; V534-F558 HydrophobicContact CG1-CB 3.95Å; V534-F558 HydrophobicContact CG1-CD2 4.09Å; V534-F558 HydrophobicContact CG1-CG 4.49Å; V534-F558 HydrophobicContact CG2-CB 4.14Å
535F93.3Very high89.3Confident4 Ų437 Ų372%0.01821%0.207CC..EExtended strand (participates in β ladder)trans-95.7122173.4-76.6-110000110.4L362 M377 L378 T383 K385 F388 I533 A544 A545L362-F535 HydrophobicContact CD1-CD1 4.34Å; L362-F535 HydrophobicContact CD1-CE1 4.07Å; M377-F535 HydrophobicContact CB-CE2 3.97Å; M377-F535 HydrophobicContact CG-CE2 4.1Å; M377-F535 HydrophobicContact SD-CE2 4.03Å; M377-F535 HydrophobicContact SD-CZ 4.19Å; L378-F535 PolarHBondContact O-N 3.35Å; T383-F535 HydrophobicContact CG2-CB 4.44Å; T383-F535 VanDerWaalsContact O-CD1 3.28Å; T383-F535 WeakPolarHBondContact O-CD1 3.1Å; K385-F535 HydrophobicContact CB-CE2 4.48Å; K385-F535 HydrophobicContact CB-CZ 4.35Å; K385-F535 HydrophobicContact CD-CD2 4.5Å; K385-F535 HydrophobicContact CG-CD1 4.26Å; K385-F535 HydrophobicContact CG-CD2 3.87Å; K385-F535 HydrophobicContact CG-CE1 4.28Å; K385-F535 HydrophobicContact CG-CE2 3.93Å; K385-F535 HydrophobicContact CG-CG 4.04Å; K385-F535 HydrophobicContact CG-CZ 4.12Å; F388-F535 HydrophobicContact CB-CE1 4.39Å; F388-F535 HydrophobicContact CB-CZ 3.99Å; F388-F535 HydrophobicContact CD1-CE2 4.49Å; F388-F535 AromaticContact CD1-CZ 3.82Å; F388-F535 HydrophobicContact CD1-CZ 3.82Å; F388-F535 HydrophobicContact CG-CZ 4.32Å; I533-F535 HydrophobicContact CG2-CD2 4.24Å; I533-F535 HydrophobicContact CG2-CE2 3.84Å; F535-A544 WeakPolarHBondContact CA-O 3.38Å; F535-A545 HydrophobicContact CD1-CB 3.99Å; F535-A545 HydrophobicContact CE1-CB 3.63Å; F535-A545 HydrophobicContact CE2-CB 4.19Å; F535-A545 HydrophobicContact CG-CB 4.45Å; F535-A545 HydrophobicContact CZ-CB 3.73Å
536D90.3Very high89.6Confident30 Ų3037.8 Ų37.816%0.1621%0.212CC..EExtended strand (participates in β ladder)trans-108.1162.9-179.6-59.6-8.6000110.9V534 T543 A544 N546 K557 Q561V534-D536 WeakPolarHBondContact CG1-OD1 3.42Å; D536-T543 CarbonylContact O-C 3.54Å; D536-T543 WeakPolarHBondContact O-CA 3.35Å; D536-T543 WeakPolarHBondContact O-CB 3.46Å; D536-A544 PolarHBondContact N-O 3.06Å; D536-A544 PolarHBondContact O-N 3.39Å; D536-N546 PolarHBondContact OD1-ND2 3.39Å; D536-N546 VanDerWaalsContact OD1-ND2 3.12Å; D536-N546 PolarHBondContact OD2-ND2 2.94Å; D536-K557 WeakPolarHBondContact OD2-CE 3.49Å; D536-K557 IonicContact OD2-NZ 3.2Å; D536-K557 PolarHBondContact OD2-NZ 3.26Å; D536-Q561 PolarHBondContact OD1-NE2 3.46Å
537G87.1Confident89.9Confident53 Ų5340 Ų4055%0.54623%0.225SC..EExtended strand (participates in β ladder)trans112.8-16717200000113.8S542G537-S542 WeakPolarHBondContact CA-O 3.42Å
538I84.5Confident90.2Very high107 Ų10738.3 Ų38.355%0.54922%0.219SC..EExtended strand (participates in β ladder)trans-96.8119.2-176.7-57.3170.1000108.2S540 R541 S542 T543I538-S540 PolarHBondContact O-N 3.3Å; I538-R541 HydrophobicContact CB-CB 4.34Å; I538-R541 HydrophobicContact CG2-CB 4.3Å; I538-R541 HydrophobicContact CG2-CG 4.42Å; I538-R541 PolarHBondContact O-N 3.09Å; I538-R541 VanDerWaalsContact O-N 3.15Å; I538-S542 PolarHBondContact N-O 3.44Å; I538-S542 PolarHBondContact O-N 2.94Å; I538-T543 WeakPolarHBondContact O-CG2 3.44Å
539P82.8Confident90.3Very high39 Ų3940.9 Ų40.925%0.25323%0.231SC..THydrogen-bonded Turntrans-49.5138.9178.4-29.235.4000112.8E380 N381 R541E380-P539 HydrophobicContact CB-CG 4.07Å; E380-P539 WeakPolarHBondContact OE2-CG 3.07Å; N381-P539 WeakPolarHBondContact O-CB 3.3Å; P539-R541 PolarHBondContact O-N 2.89Å; P539-R541 VanDerWaalsContact O-N 3.08Å
540S79.8Confident90.4Very high79 Ų7944.8 Ų44.855%0.55226%0.255SS*.THydrogen-bonded Turntrans61.78.6178.8-44.20000116.2G382 I538G382-S540 PolarHBondContact O-N 3Å; I538-S540 PolarHBondContact O-N 3.3Å
541R85.9Confident90.4Very high177 Ų17742.6 Ų42.667%0.66824%0.243SC*.THydrogen-bonded Turntrans-122.4-69.5173.9-70.9-168.5175.7-168.1-0.9113.2F360 A361 I538 P539F360-R541 CarbonylContact C-O 3.53Å; F360-R541 WeakPolarHBondContact CA-O 3.49Å; A361-R541 PolarHBondContact N-O 3.06Å; I538-R541 HydrophobicContact CB-CB 4.34Å; I538-R541 HydrophobicContact CG2-CB 4.3Å; I538-R541 HydrophobicContact CG2-CG 4.42Å; I538-R541 PolarHBondContact O-N 3.09Å; I538-R541 VanDerWaalsContact O-N 3.15Å; P539-R541 PolarHBondContact O-N 2.89Å; P539-R541 VanDerWaalsContact O-N 3.08Å
542S89.9Confident90.2Very high75 Ų7543.1 Ų43.152%0.52425%0.25SS..EExtended strand (participates in β ladder)trans-148.4117.9-175.5-174.40000108.9A361 G537 I538A361-S542 WeakPolarHBondContact O-CA 3.47Å; G537-S542 WeakPolarHBondContact CA-O 3.42Å; I538-S542 PolarHBondContact N-O 3.44Å; I538-S542 PolarHBondContact O-N 2.94Å
543T92.9Very high90.1Very high3 Ų344.9 Ų44.92%0.01827%0.265CS..EExtended strand (participates in β ladder)trans-134.4151.6-179.156.90000112.7F360 A361 L362 E363 T383 D536 I538F360-T543 HydrophobicContact CE2-CG2 4.2Å; F360-T543 WeakPolarHBondContact CE2-OG1 3.49Å; F360-T543 WeakPolarHBondContact CZ-OG1 3.46Å; A361-T543 PolarHBondContact O-N 2.98Å; L362-T543 WeakPolarHBondContact CA-O 3.38Å; E363-T543 PolarHBondContact N-O 2.67Å; T383-T543 HydrophobicContact CG2-CG2 4.13Å; T383-T543 WeakPolarHBondContact O-CB 3.39Å; T383-T543 PolarHBondContact O-OG1 3.29Å; D536-T543 CarbonylContact O-C 3.54Å; D536-T543 WeakPolarHBondContact O-CA 3.35Å; D536-T543 WeakPolarHBondContact O-CB 3.46Å; I538-T543 WeakPolarHBondContact O-CG2 3.44Å
544A93.7Very high89.8Confident25 Ų2544.9 Ų44.921%0.20727%0.265CS..EExtended strand (participates in β ladder)trans-123.2125178.800000110.2E363 F535 D536E363-A544 CarbonylContact O-C 3.59Å; E363-A544 VanDerWaalsContact O-CA 3.22Å; E363-A544 WeakPolarHBondContact O-CA 3.16Å; F535-A544 WeakPolarHBondContact CA-O 3.38Å; D536-A544 PolarHBondContact N-O 3.06Å; D536-A544 PolarHBondContact O-N 3.39Å
545A94.2Very high89.6Confident1 Ų144.9 Ų44.91%0.00827%0.265CS..EExtended strand (participates in β ladder)trans-83.3116.9166.800000108.4E363 I364 L365 I533 F535E363-A545 PolarHBondContact O-N 3.18Å; I364-A545 HydrophobicContact CB-CB 4.44Å; I364-A545 HydrophobicContact CG1-CB 4.13Å; I364-A545 HydrophobicContact CG2-CB 4.4Å; L365-A545 WeakPolarHBondContact CB-O 3.46Å; L365-A545 WeakPolarHBondContact CG-O 3.5Å; L365-A545 PolarHBondContact N-O 3.28Å; I533-A545 HydrophobicContact CG2-CB 4.39Å; F535-A545 HydrophobicContact CD1-CB 3.99Å; F535-A545 HydrophobicContact CE1-CB 3.63Å; F535-A545 HydrophobicContact CE2-CB 4.19Å; F535-A545 HydrophobicContact CG-CB 4.45Å; F535-A545 HydrophobicContact CZ-CB 3.73Å
546N94.6Very high89.4Confident18 Ų1845.6 Ų45.610%0.09627%0.269CS..PPolyproline II helixtrans-72.9164.5-178.8-69.6-67.4000112.5V534 D536 K557V534-N546 WeakPolarHBondContact O-CB 3.47Å; V534-N546 PolarHBondContact O-N 3.24Å; V534-N546 PolarHBondContact O-ND2 3.48Å; D536-N546 PolarHBondContact OD1-ND2 3.39Å; D536-N546 VanDerWaalsContact OD1-ND2 3.12Å; D536-N546 PolarHBondContact OD2-ND2 2.94Å; N546-K557 PolarHBondContact ND2-NZ 2.79Å; N546-K557 PolarHBondContact OD1-NZ 3.45Å
547T93.3Very high89.5Confident57 Ų5746.9 Ų46.935%0.3527%0.273SS..PPolyproline II helixtrans-58.8145.5169.165.20000110.1L365 E366 Q549L365-T547 HydrophobicContact CB-CG2 3.9Å; L365-T547 HydrophobicContact CD1-CG2 4.39Å; E366-T547 WeakPolarHBondContact O-CG2 3.46Å; T547-Q549 WeakPolarHBondContact O-CG 3.34Å; T547-Q549 PolarHBondContact O-N 3.44Å
548P93Very high89.6Confident6 Ų644.5 Ų44.54%0.03925%0.247CC..PPolyproline II helixtrans-63.9129.4-179.5-15.927.6000110.6Y350 M375 R531 I533Y350-P548 HydrophobicContact CE1-CG 4.46Å; Y350-P548 WeakPolarHBondContact OH-CD 3.29Å; Y350-P548 VanDerWaalsContact OH-CG 3.27Å; Y350-P548 WeakPolarHBondContact OH-CG 3.36Å; M375-P548 HydrophobicContact SD-CB 3.76Å; M375-P548 HydrophobicContact SD-CG 3.75Å; R531-P548 HydrophobicContact CB-CB 4.43Å; R531-P548 PolarHBondContact NE-O 3.22Å; R531-P548 PolarHBondContact NH2-O 3.01Å; I533-P548 HydrophobicContact CD1-CB 4.39Å; I533-P548 HydrophobicContact CD1-CG 3.98Å; I533-P548 HydrophobicContact CG1-CB 3.82Å; I533-P548 HydrophobicContact CG1-CG 3.85Å
549Q91.8Very high89.8Confident54 Ų5439.4 Ų39.425%0.25222%0.221SC..EExtended strand (participates in β ladder)trans-114.6166-177.9-66.6-178.6-12.600110.9R531 V532 T547 A553R531-Q549 CarbonylContact C-O 3.56Å; R531-Q549 WeakPolarHBondContact CA-O 3.26Å; R531-Q549 VanDerWaalsContact CB-O 3.26Å; R531-Q549 WeakPolarHBondContact CB-O 3.21Å; R531-Q549 WeakPolarHBondContact CG-O 3.5Å; V532-Q549 PolarHBondContact N-O 2.83Å; V532-Q549 PolarHBondContact O-N 3.32Å; T547-Q549 WeakPolarHBondContact O-CG 3.34Å; T547-Q549 PolarHBondContact O-N 3.44Å; Q549-A553 HydrophobicContact CB-CB 4.19Å
550T90.2Very high90.1Very high88 Ų8839.7 Ų39.754%0.5422%0.224SC..EExtended strand (participates in β ladder)trans-59.2154.9170.163.10000110.4L552 A553 G554T550-L552 PolarHBondContact O-N 2.75Å; T550-A553 PolarHBondContact O-N 3.25Å; T550-A553 WeakPolarHBondContact OG1-CB 3.47Å; T550-A553 PolarHBondContact OG1-N 3.43Å; T550-G554 PolarHBondContact O-N 3.03Å
551L87.1Confident90.5Very high15 Ų1539.8 Ų39.88%0.07922%0.216CC..Hα-helixtrans-49.4-45.7177.5179.861000112.6A529 V532 M555 F595 L597A529-L551 HydrophobicContact CB-CD1 3.73Å; V532-L551 HydrophobicContact CG2-CD1 3.73Å; L551-M555 HydrophobicContact CD1-CG 3.69Å; L551-M555 HydrophobicContact CD1-SD 4.5Å; L551-M555 HydrophobicContact CG-CG 4.37Å; L551-M555 WeakPolarHBondContact O-CB 3.4Å; L551-M555 WeakPolarHBondContact O-CG 3.37Å; L551-M555 PolarHBondContact O-N 3.17Å; L551-F595 HydrophobicContact CG-CE1 4.44Å; L551-L597 HydrophobicContact CD2-CD1 4.48Å; L551-L597 HydrophobicContact CD2-CD2 4.14Å; L551-L597 HydrophobicContact CG-CD1 4.46Å
552L88.1Confident90.3Very high73 Ų7332 Ų3238%0.38219%0.188SC..Hα-helixtrans-63-50.6-179.6-167144.8000111.9T550 N556 L597T550-L552 PolarHBondContact O-N 2.75Å; L552-N556 VanDerWaalsContact CD2-ND2 3.26Å; L552-N556 WeakPolarHBondContact CD2-ND2 3.46Å; L552-N556 WeakPolarHBondContact O-CB 3.38Å; L552-N556 PolarHBondContact O-N 2.63Å; L552-N556 PolarHBondContact O-ND2 3.43Å; L552-L597 HydrophobicContact CB-CD1 3.53Å; L552-L597 HydrophobicContact CD1-CB 4.36Å; L552-L597 HydrophobicContact CD1-CD1 3.82Å; L552-L597 HydrophobicContact CG-CD1 4.02Å
553A89.5Confident90.1Very high38 Ų3834.7 Ų34.731%0.31419%0.192SC..Hα-helixtrans-66.9-46-176.600000111.4Q549 T550 N556 K557Q549-A553 HydrophobicContact CB-CB 4.19Å; T550-A553 PolarHBondContact O-N 3.25Å; T550-A553 WeakPolarHBondContact OG1-CB 3.47Å; T550-A553 PolarHBondContact OG1-N 3.43Å; A553-N556 PolarHBondContact O-N 3.45Å; A553-K557 WeakPolarHBondContact O-CB 3.34Å; A553-K557 PolarHBondContact O-N 2.89Å
554G89.5Confident89.8Confident0 Ų035 Ų350%019%0.193CC..Hα-helixtrans-64.2-43.3179.200000112.5V534 T550 K557 F558V534-G554 WeakPolarHBondContact CG2-O 3.37Å; T550-G554 PolarHBondContact O-N 3.03Å; G554-K557 PolarHBondContact O-N 3.18Å; G554-F558 WeakPolarHBondContact O-CB 3.21Å; G554-F558 PolarHBondContact O-N 3.3Å
555M89.2Confident89.6Confident1 Ų133.8 Ų33.81%0.00518%0.183CC..Hα-helixtrans-66.9-41.3176.8-68.9-71.2-74.500111.9L378 F522 T526 L551 F558 L559 F595L378-M555 HydrophobicContact CD1-SD 3.46Å; L378-M555 WeakPolarHBondContact CD1-SD 3.35Å; F522-M555 HydrophobicContact CD1-CE 3.91Å; F522-M555 HydrophobicContact CE1-CE 4.34Å; T526-M555 HydrophobicContact CG2-CE 3.45Å; T526-M555 VanDerWaalsContact CG2-CE 3.45Å; T526-M555 HydrophobicContact CG2-SD 4.4Å; L551-M555 HydrophobicContact CD1-CG 3.69Å; L551-M555 HydrophobicContact CD1-SD 4.5Å; L551-M555 HydrophobicContact CG-CG 4.37Å; L551-M555 WeakPolarHBondContact O-CB 3.4Å; L551-M555 WeakPolarHBondContact O-CG 3.37Å; L551-M555 PolarHBondContact O-N 3.17Å; M555-F558 PolarHBondContact O-N 3.01Å; M555-L559 WeakPolarHBondContact O-CB 3.26Å; M555-L559 WeakPolarHBondContact O-CG 3.18Å; M555-L559 PolarHBondContact O-N 3.49Å; M555-F595 HydrophobicContact CB-CB 3.96Å; M555-F595 HydrophobicContact CB-CD1 3.89Å; M555-F595 HydrophobicContact CB-CD2 4.32Å; M555-F595 HydrophobicContact CB-CE1 4.46Å; M555-F595 HydrophobicContact CB-CG 3.8Å; M555-F595 HydrophobicContact CE-CD2 4Å; M555-F595 HydrophobicContact CE-CE2 3.83Å; M555-F595 HydrophobicContact CE-CZ 4.28Å; M555-F595 HydrophobicContact CG-CD1 4.32Å; M555-F595 HydrophobicContact CG-CE1 4.4Å; M555-F595 HydrophobicContact CG-CG 4.48Å
556N90.6Very high89.3Confident18 Ų1833.9 Ų33.910%0.09618%0.183CC..Hα-helixtrans-62.3-44175.7-83.5-58.5000111.9L552 A553 S560 Y594 F595L552-N556 VanDerWaalsContact CD2-ND2 3.26Å; L552-N556 WeakPolarHBondContact CD2-ND2 3.46Å; L552-N556 WeakPolarHBondContact O-CB 3.38Å; L552-N556 PolarHBondContact O-N 2.63Å; L552-N556 PolarHBondContact O-ND2 3.43Å; A553-N556 PolarHBondContact O-N 3.45Å; N556-S560 VanDerWaalsContact O-CB 3.26Å; N556-S560 WeakPolarHBondContact O-CB 3.44Å; N556-S560 PolarHBondContact O-N 3.31Å; N556-S560 PolarHBondContact O-OG 2.67Å; N556-Y594 WeakPolarHBondContact OD1-CA 3.33Å; N556-Y594 PolarHBondContact OD1-N 3.17Å; N556-F595 PolarHBondContact OD1-N 2.9Å
557K91Very high88.9Confident57 Ų5736.4 Ų36.425%0.24819%0.192CC..Hα-helixtrans-59.4-51.8175.7-174.2173.9-179.4-178.30110.9D536 N546 A553 G554 L559 S560 Q561D536-K557 WeakPolarHBondContact OD2-CE 3.49Å; D536-K557 IonicContact OD2-NZ 3.2Å; D536-K557 PolarHBondContact OD2-NZ 3.26Å; N546-K557 PolarHBondContact ND2-NZ 2.79Å; N546-K557 PolarHBondContact OD1-NZ 3.45Å; A553-K557 WeakPolarHBondContact O-CB 3.34Å; A553-K557 PolarHBondContact O-N 2.89Å; G554-K557 PolarHBondContact O-N 3.18Å; K557-L559 PolarHBondContact O-N 2.92Å; K557-S560 PolarHBondContact O-N 3.39Å; K557-S560 PolarHBondContact O-OG 3.35Å; K557-Q561 WeakPolarHBondContact O-CG 3.41Å; K557-Q561 PolarHBondContact O-N 2.62Å
558F90.3Very high88.4Confident3 Ų336.1 Ų36.11%0.01318%0.184CC..Hα-helixtrans-61-45.8-179.7179.5-117.5000112.6V249 L378 F522 V534 G554 M555 Q561 L562V249-F558 HydrophobicContact CB-CE1 4.35Å; V249-F558 HydrophobicContact CB-CZ 4.04Å; V249-F558 HydrophobicContact CG1-CE1 4.2Å; V249-F558 HydrophobicContact CG1-CZ 4.26Å; V249-F558 HydrophobicContact CG2-CE1 4.1Å; V249-F558 HydrophobicContact CG2-CZ 3.99Å; L378-F558 HydrophobicContact CB-CD1 4.27Å; L378-F558 HydrophobicContact CB-CD2 4.15Å; L378-F558 HydrophobicContact CB-CE1 4.37Å; L378-F558 HydrophobicContact CB-CE2 4.26Å; L378-F558 HydrophobicContact CB-CG 4.15Å; L378-F558 HydrophobicContact CB-CZ 4.35Å; L378-F558 HydrophobicContact CD1-CD1 3.97Å; L378-F558 HydrophobicContact CD1-CE1 4.42Å; L378-F558 HydrophobicContact CD1-CG 4.33Å; F522-F558 HydrophobicContact CE1-CD1 4.13Å; F522-F558 AromaticContact CE1-CE1 3.76Å; F522-F558 HydrophobicContact CE1-CE1 3.76Å; F522-F558 HydrophobicContact CZ-CE1 4.09Å; V534-F558 HydrophobicContact CG1-CB 3.95Å; V534-F558 HydrophobicContact CG1-CD2 4.09Å; V534-F558 HydrophobicContact CG1-CG 4.49Å; V534-F558 HydrophobicContact CG2-CB 4.14Å; G554-F558 WeakPolarHBondContact O-CB 3.21Å; G554-F558 PolarHBondContact O-N 3.3Å; M555-F558 PolarHBondContact O-N 3.01Å; F558-Q561 PolarHBondContact O-N 2.84Å; F558-L562 HydrophobicContact CD1-CD1 4.03Å; F558-L562 HydrophobicContact CD2-CD1 4.42Å; F558-L562 HydrophobicContact CE1-CD1 3.56Å; F558-L562 HydrophobicContact CE2-CD1 3.98Å; F558-L562 HydrophobicContact CG-CD1 4.45Å; F558-L562 HydrophobicContact CZ-CD1 3.54Å; F558-L562 WeakPolarHBondContact O-CG 3.27Å; F558-L562 PolarHBondContact O-N 3.48Å
559L89.3Confident87.9Confident0 Ų036 Ų360%018%0.183CC..Hα-helixtrans-70.8-32-178.4-71.4176.5000113F522 M555 K557 Q561 L562 E563 I564 F566 Y594 F595F522-L559 HydrophobicContact CE1-CD2 3.68Å; F522-L559 HydrophobicContact CZ-CD2 3.75Å; M555-L559 WeakPolarHBondContact O-CB 3.26Å; M555-L559 WeakPolarHBondContact O-CG 3.18Å; M555-L559 PolarHBondContact O-N 3.49Å; K557-L559 PolarHBondContact O-N 2.92Å; L559-Q561 VanDerWaalsContact C-N 3.31Å; L559-Q561 PolarHBondContact O-N 3.4Å; L559-L562 PolarHBondContact O-N 2.86Å; L559-E563 PolarHBondContact O-N 2.88Å; L559-I564 WeakPolarHBondContact CB-O 3.37Å; L559-I564 PolarHBondContact O-N 2.65Å; L559-F566 HydrophobicContact CD1-CB 4.3Å; L559-F566 HydrophobicContact CD1-CD2 3.67Å; L559-F566 HydrophobicContact CD1-CE2 4.4Å; L559-F566 HydrophobicContact CD1-CG 4.31Å; L559-F566 HydrophobicContact CD2-CD2 3.58Å; L559-F566 HydrophobicContact CD2-CE2 3.51Å; L559-F566 HydrophobicContact CG-CD2 4.29Å; L559-Y594 HydrophobicContact CB-CD1 4.44Å; L559-Y594 HydrophobicContact CB-CG 4.29Å; L559-Y594 WeakPolarHBondContact CD1-O 3.46Å; L559-F595 HydrophobicContact CD1-CB 3.92Å; L559-F595 HydrophobicContact CD1-CD2 4.14Å; L559-F595 HydrophobicContact CD1-CG 4.46Å
560S89.4Confident87.3Confident45 Ų4537.6 Ų37.632%0.31520%0.199SC..Hα-helixtrans-61.5-39.3174.374.70000112.3N556 K557 L562 E563N556-S560 VanDerWaalsContact O-CB 3.26Å; N556-S560 WeakPolarHBondContact O-CB 3.44Å; N556-S560 PolarHBondContact O-N 3.31Å; N556-S560 PolarHBondContact O-OG 2.67Å; K557-S560 PolarHBondContact O-N 3.39Å; K557-S560 PolarHBondContact O-OG 3.35Å; S560-L562 PolarHBondContact O-N 2.94Å; S560-E563 PolarHBondContact O-N 3.12Å; S560-E563 VanDerWaalsContact O-N 3.13Å
561Q86.3Confident86.7Confident81 Ų8139 Ų3938%0.37920%0.202SC..Hα-helixtrans-65.9-28.9177.1-67.5169.8-3.800113.1D536 K557 F558 L559D536-Q561 PolarHBondContact OD1-NE2 3.46Å; K557-Q561 WeakPolarHBondContact O-CG 3.41Å; K557-Q561 PolarHBondContact O-N 2.62Å; F558-Q561 PolarHBondContact O-N 2.84Å; L559-Q561 VanDerWaalsContact C-N 3.31Å; L559-Q561 PolarHBondContact O-N 3.4Å
562L83.5Confident86.1Confident15 Ų1538.5 Ų38.58%0.07920%0.2CC..Hα-helixtrans-89-10.3178.9-57.7172.2000112V249 K250 F558 L559 S560 I564V249-L562 HydrophobicContact CB-CD1 4.25Å; V249-L562 HydrophobicContact CG1-CD1 3.43Å; V249-L562 VanDerWaalsContact CG1-CD1 3.43Å; K250-L562 HydrophobicContact CB-CD2 3.7Å; K250-L562 HydrophobicContact CD-CD2 4.07Å; K250-L562 HydrophobicContact CG-CD2 4.12Å; F558-L562 HydrophobicContact CD1-CD1 4.03Å; F558-L562 HydrophobicContact CD2-CD1 4.42Å; F558-L562 HydrophobicContact CE1-CD1 3.56Å; F558-L562 HydrophobicContact CE2-CD1 3.98Å; F558-L562 HydrophobicContact CG-CD1 4.45Å; F558-L562 HydrophobicContact CZ-CD1 3.54Å; F558-L562 WeakPolarHBondContact O-CG 3.27Å; F558-L562 PolarHBondContact O-N 3.48Å; L559-L562 PolarHBondContact O-N 2.86Å; S560-L562 PolarHBondContact O-N 2.94Å; L562-I564 HydrophobicContact CB-CD1 3.54Å; L562-I564 WeakPolarHBondContact O-CD1 3.16Å; L562-I564 PolarHBondContact O-N 2.77Å
563E85.4Confident85.7Confident131 Ų13138.6 Ų38.661%0.61220%0.198SC*.THydrogen-bonded Turntrans56.234.7-173.7-55.9-176.3157.300113.4L559 S560 K589L559-E563 PolarHBondContact O-N 2.88Å; S560-E563 PolarHBondContact O-N 3.12Å; S560-E563 VanDerWaalsContact O-N 3.13Å; E563-K589 WeakPolarHBondContact O-CE 3.45Å; E563-K589 PolarHBondContact O-NZ 3.37Å
564I86.3Confident85.4Confident9 Ų936.8 Ų36.85%0.04618%0.183CC..  trans-120.1138.1179-68.3125.4000110.3L253 L559 L562 F566 I577 M580 Y594L253-I564 HydrophobicContact CD1-CB 4.47Å; L253-I564 HydrophobicContact CD1-CD1 3.1Å; L253-I564 HydrophobicContact CD1-CG1 3.74Å; L253-I564 HydrophobicContact CD1-CG2 4.32Å; L253-I564 HydrophobicContact CG-CD1 4.38Å; L559-I564 WeakPolarHBondContact CB-O 3.37Å; L559-I564 PolarHBondContact O-N 2.65Å; L562-I564 HydrophobicContact CB-CD1 3.54Å; L562-I564 WeakPolarHBondContact O-CD1 3.16Å; L562-I564 PolarHBondContact O-N 2.77Å; I564-F566 HydrophobicContact CG2-CD2 4.18Å; I564-F566 HydrophobicContact CG2-CE2 3.98Å; I564-I577 HydrophobicContact CG2-CG2 3.88Å; I564-M580 HydrophobicContact CG1-CE 3.91Å; I564-Y594 WeakPolarHBondContact O-CD1 3.45Å
565T89.2Confident85.1Confident0 Ų037 Ų370%018%0.184CC..  trans-109.4148.4177.463.90000112.2N578 D585 Q588 K589 Y594T565-N578 PolarHBondContact O-N 3.09Å; T565-N578 WeakPolarHBondContact OG1-CB 3.3Å; T565-N578 PolarHBondContact OG1-ND2 2.73Å; T565-D585 WeakPolarHBondContact CB-OD1 3.25Å; T565-D585 VanDerWaalsContact CG2-OD1 3.27Å; T565-D585 WeakPolarHBondContact CG2-OD1 3.39Å; T565-D585 WeakPolarHBondContact OG1-CA 3.48Å; T565-D585 PolarHBondContact OG1-OD1 3.1Å; T565-Q588 HydrophobicContact CG2-CB 3.72Å; T565-Q588 PolarHBondContact OG1-OE1 3.32Å; T565-K589 HydrophobicContact CG2-CD 4.47Å; T565-K589 HydrophobicContact CG2-CG 3.69Å; T565-Y594 HydrophobicContact CG2-CD1 3.65Å; T565-Y594 HydrophobicContact CG2-CE1 4.11Å; T565-Y594 HydrophobicContact CG2-CG 4.37Å
566F87.6Confident85Confident2 Ų239.1 Ų39.11%0.00919%0.192CC..EExtended strand (participates in β ladder)trans-120.7146.1177.7-85.9-102.3000111F522 L559 I564 P575 R576 I577 Q588 Y594 F595F522-F566 HydrophobicContact CB-CE1 4.33Å; F522-F566 HydrophobicContact CB-CZ 4.25Å; F522-F566 HydrophobicContact CD1-CE2 4.37Å; F522-F566 HydrophobicContact CD1-CZ 4.02Å; F522-F566 HydrophobicContact CD2-CE1 4.21Å; F522-F566 HydrophobicContact CD2-CE2 4.19Å; F522-F566 AromaticContact CD2-CZ 3.39Å; F522-F566 HydrophobicContact CD2-CZ 3.39Å; F522-F566 HydrophobicContact CE1-CE2 4.02Å; F522-F566 HydrophobicContact CE1-CZ 4.07Å; F522-F566 AromaticContact CE2-CE2 3.78Å; F522-F566 HydrophobicContact CE2-CE2 3.78Å; F522-F566 AromaticContact CE2-CZ 3.41Å; F522-F566 HydrophobicContact CE2-CZ 3.41Å; F522-F566 VanDerWaalsContact CE2-CZ 3.41Å; F522-F566 HydrophobicContact CG-CE1 4.21Å; F522-F566 HydrophobicContact CG-CE2 4.41Å; F522-F566 AromaticContact CG-CZ 3.65Å; F522-F566 HydrophobicContact CG-CZ 3.65Å; F522-F566 AromaticContact CZ-CE2 3.64Å; F522-F566 HydrophobicContact CZ-CE2 3.64Å; F522-F566 AromaticContact CZ-CZ 3.72Å; F522-F566 HydrophobicContact CZ-CZ 3.72Å; L559-F566 HydrophobicContact CD1-CB 4.3Å; L559-F566 HydrophobicContact CD1-CD2 3.67Å; L559-F566 HydrophobicContact CD1-CE2 4.4Å; L559-F566 HydrophobicContact CD1-CG 4.31Å; L559-F566 HydrophobicContact CD2-CD2 3.58Å; L559-F566 HydrophobicContact CD2-CE2 3.51Å; L559-F566 HydrophobicContact CG-CD2 4.29Å; I564-F566 HydrophobicContact CG2-CD2 4.18Å; I564-F566 HydrophobicContact CG2-CE2 3.98Å; F566-P575 HydrophobicContact CD1-CB 3.74Å; F566-P575 HydrophobicContact CE1-CB 4.05Å; F566-R576 WeakPolarHBondContact CA-O 3.18Å; F566-I577 HydrophobicContact CD1-CG1 4.05Å; F566-I577 HydrophobicContact CD2-CG1 4.47Å; F566-I577 HydrophobicContact CE1-CB 4.45Å; F566-I577 HydrophobicContact CE1-CD1 4.16Å; F566-I577 HydrophobicContact CE1-CG1 3.31Å; F566-I577 HydrophobicContact CE2-CD1 4.3Å; F566-I577 HydrophobicContact CE2-CG1 3.79Å; F566-I577 HydrophobicContact CZ-CB 4.44Å; F566-I577 HydrophobicContact CZ-CD1 3.64Å; F566-I577 HydrophobicContact CZ-CG1 3.17Å; F566-Q588 PolarHBondContact O-NE2 3.06Å; F566-Q588 PolarHBondContact O-OE1 3.5Å; F566-Y594 PolarHBondContact N-O 3.41Å; F566-F595 HydrophobicContact CB-CD2 4.12Å
567R86.6Confident84.8Confident71 Ų7138.5 Ų38.527%0.26819%0.189SC..EExtended strand (participates in β ladder)trans-127.3166.616862.1-179.9173.7179.8-1.7109.8R576 N578R567-R576 HydrophobicContact CG-CB 4.2Å; R567-R576 PolarHBondContact N-O 2.92Å; R567-R576 PolarHBondContact O-N 3.37Å; R567-N578 WeakPolarHBondContact CD-OD1 2.97Å; R567-N578 WeakPolarHBondContact CG-OD1 3.27Å; R567-N578 PolarHBondContact NE-OD1 2.95Å; R567-N578 VanDerWaalsContact NE-OD1 3.11Å
568R82.1Confident84.6Confident51 Ų5136 Ų3619%0.19218%0.178CC..EExtended strand (participates in β ladder)trans-94.6147171.5-68.7-172.9177.9-160-11.4111.5R574 F596 L597R568-R574 WeakPolarHBondContact CA-O 3.47Å; R568-F596 PolarHBondContact NE-O 3.27Å; R568-L597 PolarHBondContact NH1-O 3.39Å
569D82.2Confident84.3Confident3 Ų340 Ų402%0.01620%0.196CC..  trans-76130.4162.5-164.5-81.5000109.1R306 N310 N571 N572 F573 R574R306-D569 WeakPolarHBondContact CG-OD2 2.99Å; R306-D569 IonicContact CZ-OD1 3.35Å; R306-D569 IonicContact CZ-OD2 3.45Å; R306-D569 IonicContact NE-OD1 2.67Å; R306-D569 IonicContact NE-OD2 2.79Å; R306-D569 PolarHBondContact NE-OD2 3.47Å; R306-D569 IonicContact NH2-OD1 2.73Å; R306-D569 PolarHBondContact NH2-OD1 3.34Å; R306-D569 IonicContact NH2-OD2 3.01Å; R306-D569 PolarHBondContact NH2-OD2 2.87Å; N310-D569 PolarHBondContact ND2-OD1 3.09Å; D569-N571 PolarHBondContact O-N 3.4Å; D569-N571 WeakPolarHBondContact OD1-CB 3.44Å; D569-N571 PolarHBondContact OD1-N 2.86Å; D569-N572 WeakPolarHBondContact CB-OD1 3.31Å; D569-F573 WeakPolarHBondContact O-CA 3.25Å; D569-F573 PolarHBondContact O-N 3.09Å; D569-R574 HydrophobicContact CB-CG 4Å; D569-R574 PolarHBondContact N-O 2.89Å
570P79.3Confident83.9Confident89 Ų8943.7 Ų43.758%0.57821%0.214SC*.THydrogen-bonded Turntrans-68.6-17.2-176.427.3-35.9000113.6
571N78.3Confident83.6Confident116 Ų11648 Ų4862%0.6223%0.233SC*.THydrogen-bonded Turntrans-88.3-42-175.2-63.89.2000112.3R306 D569R306-N571 PolarHBondContact NH2-OD1 3.02Å; D569-N571 PolarHBondContact O-N 3.4Å; D569-N571 WeakPolarHBondContact OD1-CB 3.44Å; D569-N571 PolarHBondContact OD1-N 2.86Å
572N75.7Confident83.6Confident6 Ų645.9 Ų45.93%0.03223%0.227CC..THydrogen-bonded Turntrans-124.15.9-173.962.216.9000114N310 L313 F331 D569 R574N310-N572 PolarHBondContact OD1-ND2 3.47Å; L313-N572 WeakPolarHBondContact CD1-ND2 3.4Å; F331-N572 PolarHBondContact N-O 3.44Å; D569-N572 WeakPolarHBondContact CB-OD1 3.31Å; N572-R574 PolarHBondContact O-N 3.3Å; N572-R574 WeakPolarHBondContact OD1-CB 3.1Å; N572-R574 WeakPolarHBondContact OD1-CG 3.3Å; N572-R574 PolarHBondContact OD1-N 3.04Å
573F79Confident83.8Confident75 Ų7551.6 Ų51.633%0.32926%0.256SS..  trans57.617178.2-57.4-84.5000114.6F331 D569F331-F573 WeakPolarHBondContact O-CB 3.37Å; D569-F573 WeakPolarHBondContact O-CA 3.25Å; D569-F573 PolarHBondContact O-N 3.09Å
574R83.6Confident83.9Confident0 Ų050.5 Ų50.50%025%0.25CC..  trans-68.9143.4-18080.8-174.5174.688.91.7110.8D280 I309 N310 F331 R568 D569 N572 R576D280-R574 IonicContact OD2-CZ 3.78Å; D280-R574 VanDerWaalsContact OD2-CZ 3.3Å; D280-R574 IonicContact OD2-NH1 3.91Å; D280-R574 PolarHBondContact OD2-NH1 3.35Å; D280-R574 IonicContact OD2-NH2 2.86Å; D280-R574 PolarHBondContact OD2-NH2 3.29Å; I309-R574 VanDerWaalsContact CG2-CZ 3.46Å; N310-R574 PolarHBondContact OD1-NE 2.84Å; F331-R574 HydrophobicContact CD2-CB 3.53Å; F331-R574 HydrophobicContact CE2-CB 3.84Å; F331-R574 HydrophobicContact CG-CB 4.27Å; R568-R574 WeakPolarHBondContact CA-O 3.47Å; D569-R574 HydrophobicContact CB-CG 4Å; D569-R574 PolarHBondContact N-O 2.89Å; N572-R574 PolarHBondContact O-N 3.3Å; N572-R574 WeakPolarHBondContact OD1-CB 3.1Å; N572-R574 WeakPolarHBondContact OD1-CG 3.3Å; N572-R574 PolarHBondContact OD1-N 3.04Å; R574-R576 PolarHBondContact O-N 3.05Å
575P83.3Confident84Confident5 Ų550 Ų503%0.03225%0.247CC..EExtended strand (participates in β ladder)trans-66.8133.5170.628.8-33.6000109.9I523 F566I523-P575 HydrophobicContact CG1-CG 3.82Å; F566-P575 HydrophobicContact CD1-CB 3.74Å; F566-P575 HydrophobicContact CE1-CB 4.05Å
576R85.3Confident83.9Confident44 Ų4452.4 Ų52.417%0.16626%0.263CS..EExtended strand (participates in β ladder)trans-129.2126.6-179.5179168.7-169-159.62.8110.4D280 F566 R567 R574D280-R576 VanDerWaalsContact CG-NE 3.33Å; D280-R576 IonicContact OD1-CZ 2.82Å; D280-R576 VanDerWaalsContact OD1-CZ 3.31Å; D280-R576 IonicContact OD1-NE 3.42Å; D280-R576 PolarHBondContact OD1-NE 2.68Å; D280-R576 IonicContact OD1-NH2 3.44Å; D280-R576 PolarHBondContact OD1-NH2 3.28Å; D280-R576 WeakPolarHBondContact OD2-CD 3.5Å; D280-R576 WeakPolarHBondContact OD2-CG 3.47Å; D280-R576 IonicContact OD2-CZ 2.74Å; D280-R576 IonicContact OD2-NE 3.47Å; D280-R576 PolarHBondContact OD2-NE 3.43Å; F566-R576 WeakPolarHBondContact CA-O 3.18Å; R567-R576 HydrophobicContact CG-CB 4.2Å; R567-R576 PolarHBondContact N-O 2.92Å; R567-R576 PolarHBondContact O-N 3.37Å; R574-R576 PolarHBondContact O-N 3.05Å
577I87.5Confident84.1Confident6 Ų657.8 Ų57.83%0.03129%0.288CS..EExtended strand (participates in β ladder)trans-71.3134.2177.4-60-176.9000109.7L253 Y281 I564 F566L253-I577 HydrophobicContact CD2-CD1 3.86Å; L253-I577 HydrophobicContact CD2-CG2 4.49Å; Y281-I577 HydrophobicContact CD2-CG2 3.84Å; I564-I577 HydrophobicContact CG2-CG2 3.88Å; F566-I577 HydrophobicContact CD1-CG1 4.05Å; F566-I577 HydrophobicContact CD2-CG1 4.47Å; F566-I577 HydrophobicContact CE1-CB 4.45Å; F566-I577 HydrophobicContact CE1-CD1 4.16Å; F566-I577 HydrophobicContact CE1-CG1 3.31Å; F566-I577 HydrophobicContact CE2-CD1 4.3Å; F566-I577 HydrophobicContact CE2-CG1 3.79Å; F566-I577 HydrophobicContact CZ-CB 4.44Å; F566-I577 HydrophobicContact CZ-CD1 3.64Å; F566-I577 HydrophobicContact CZ-CG1 3.17Å
578N86.5Confident84.2Confident3 Ų355.4 Ų55.42%0.01628%0.28CS..PPolyproline II helixtrans-81.5142.3168.9-67.5-42000110.7T565 R567 D585 Q588T565-N578 PolarHBondContact O-N 3.09Å; T565-N578 WeakPolarHBondContact OG1-CB 3.3Å; T565-N578 PolarHBondContact OG1-ND2 2.73Å; R567-N578 WeakPolarHBondContact CD-OD1 2.97Å; R567-N578 WeakPolarHBondContact CG-OD1 3.27Å; R567-N578 PolarHBondContact NE-OD1 2.95Å; R567-N578 VanDerWaalsContact NE-OD1 3.11Å; N578-D585 HydrophobicContact CB-CB 4.06Å; N578-Q588 PolarHBondContact ND2-OE1 2.89Å
579K83.6Confident84.5Confident89 Ų8955.6 Ų55.639%0.38728%0.282SS..PPolyproline II helixtrans-64.2139.9170.1-68.5-171.8178.1-175.30108.8D284 N581 S582D284-K579 IonicContact OD1-NZ 3.52Å; D284-K579 PolarHBondContact OD1-NZ 3.34Å; K579-N581 PolarHBondContact O-N 3.15Å; K579-S582 VanDerWaalsContact O-CB 3.25Å; K579-S582 WeakPolarHBondContact O-CB 3.44Å; K579-S582 PolarHBondContact O-N 3.11Å; K579-S582 VanDerWaalsContact O-N 3.15Å; K579-S582 PolarHBondContact O-OG 3.45Å
580M80.7Confident84.9Confident77 Ų7764.3 Ų64.338%0.37932%0.32SS..THydrogen-bonded Turntrans-53.5135.9179.8-73.7-65.4-157.200110.5I564 S582I564-M580 HydrophobicContact CG1-CE 3.91Å; M580-S582 PolarHBondContact O-N 3.18Å; M580-S582 VanDerWaalsContact O-N 3.13Å
581N83.4Confident85.3Confident135 Ų13563.2 Ų63.272%0.72232%0.315SS*.THydrogen-bonded Turntrans61.315.7178.5-55.9-33.4000115K579 D585K579-N581 PolarHBondContact O-N 3.15Å; N581-D585 PolarHBondContact N-OD2 3.1Å
582S86.3Confident85.6Confident37 Ų3759.6 Ų59.626%0.25931%0.305SS..  trans-68.2156.9168.566.50000110.9K579 M580 K584 D585 C586K579-S582 VanDerWaalsContact O-CB 3.25Å; K579-S582 WeakPolarHBondContact O-CB 3.44Å; K579-S582 PolarHBondContact O-N 3.11Å; K579-S582 VanDerWaalsContact O-N 3.15Å; K579-S582 PolarHBondContact O-OG 3.45Å; M580-S582 PolarHBondContact O-N 3.18Å; M580-S582 VanDerWaalsContact O-N 3.13Å; S582-K584 VanDerWaalsContact C-N 3.26Å; S582-K584 PolarHBondContact O-N 3.36Å; S582-D585 WeakPolarHBondContact O-CB 3.42Å; S582-D585 PolarHBondContact O-N 3.23Å; S582-D585 WeakPolarHBondContact OG-CB 3.38Å; S582-D585 PolarHBondContact OG-N 3.39Å; S582-C586 PolarHBondContact O-N 2.66Å; S582-C586 PolarHBondContact O-SG 3.04Å
583I88.8Confident86.1Confident134 Ų13462.6 Ų62.669%0.68732%0.321SS*.Hα-helixtrans-50.8-47.8-179.5-63.6164.9000111.2C586 E587I583-C586 PolarHBondContact O-N 3.5Å; I583-E587 WeakPolarHBondContact CG2-OE1 3.46Å; I583-E587 WeakPolarHBondContact O-CG 3.4Å; I583-E587 PolarHBondContact O-N 3.25Å
584K86.3Confident86.5Confident108 Ų10860.9 Ų60.947%0.4731%0.312SS..Hα-helixtrans-67.7-35.7178.8-68.8-169.5176.7-164.10113.2S582 C586 E587 Q588S582-K584 VanDerWaalsContact C-N 3.26Å; S582-K584 PolarHBondContact O-N 3.36Å; K584-C586 VanDerWaalsContact C-N 3.33Å; K584-E587 PolarHBondContact O-N 3.25Å; K584-Q588 VanDerWaalsContact O-CB 3.31Å; K584-Q588 WeakPolarHBondContact O-CB 3.48Å; K584-Q588 VanDerWaalsContact O-CG 3.26Å; K584-Q588 WeakPolarHBondContact O-CG 3.37Å; K584-Q588 PolarHBondContact O-N 3.29Å
585D87.9Confident86.5Confident0 Ų061.1 Ų61.10%031%0.313CS..Hα-helixtrans-61.5-44.8174.2-177.655.4000110.7T565 N578 N581 S582 Q588 K589T565-D585 WeakPolarHBondContact CB-OD1 3.25Å; T565-D585 VanDerWaalsContact CG2-OD1 3.27Å; T565-D585 WeakPolarHBondContact CG2-OD1 3.39Å; T565-D585 WeakPolarHBondContact OG1-CA 3.48Å; T565-D585 PolarHBondContact OG1-OD1 3.1Å; N578-D585 HydrophobicContact CB-CB 4.06Å; N581-D585 PolarHBondContact N-OD2 3.1Å; S582-D585 WeakPolarHBondContact O-CB 3.42Å; S582-D585 PolarHBondContact O-N 3.23Å; S582-D585 WeakPolarHBondContact OG-CB 3.38Å; S582-D585 PolarHBondContact OG-N 3.39Å; D585-Q588 PolarHBondContact O-N 3.38Å; D585-K589 WeakPolarHBondContact O-CB 3.44Å; D585-K589 VanDerWaalsContact O-CG 3.31Å; D585-K589 WeakPolarHBondContact O-CG 3.39Å; D585-K589 PolarHBondContact O-N 3.39Å; D585-K589 VanDerWaalsContact OD1-CE 3.29Å; D585-K589 WeakPolarHBondContact OD1-CE 3.46Å; D585-K589 IonicContact OD1-NZ 2.77Å; D585-K589 PolarHBondContact OD1-NZ 2.67Å; D585-K589 WeakPolarHBondContact OD2-CE 2.99Å; D585-K589 IonicContact OD2-NZ 3.68Å; D585-K589 PolarHBondContact OD2-NZ 3.38Å
586C88.8Confident86.1Confident49 Ų4964.3 Ų64.333%0.33133%0.327SS..Hα-helixtrans-64.9-42.3177.5-66.40000112.8S582 I583 K584 K590S582-C586 PolarHBondContact O-N 2.66Å; S582-C586 PolarHBondContact O-SG 3.04Å; I583-C586 PolarHBondContact O-N 3.5Å; K584-C586 VanDerWaalsContact C-N 3.33Å; C586-K590 WeakPolarHBondContact O-CB 3.45Å; C586-K590 VanDerWaalsContact O-CG 3.25Å; C586-K590 WeakPolarHBondContact O-CG 3.32Å; C586-K590 PolarHBondContact O-N 3.11Å
587E90.1Very high85.1Confident115 Ų11563.8 Ų63.854%0.53733%0.327SS..Hα-helixtrans-63.9-43.9176.4-73.8170.3177.500112.1I583 K584 K590 S591I583-E587 WeakPolarHBondContact CG2-OE1 3.46Å; I583-E587 WeakPolarHBondContact O-CG 3.4Å; I583-E587 PolarHBondContact O-N 3.25Å; K584-E587 PolarHBondContact O-N 3.25Å; E587-K590 PolarHBondContact O-N 3.04Å; E587-S591 PolarHBondContact O-N 3.36Å; E587-S591 PolarHBondContact O-OG 3.38Å
588Q89.6Confident84Confident21 Ų2169.5 Ų69.510%0.09836%0.358CS..Hα-helixtrans-66.4-43.5178.9-75-172.1-2200111.7T565 F566 N578 K584 D585 K590 S591 G592 N593 F596T565-Q588 HydrophobicContact CG2-CB 3.72Å; T565-Q588 PolarHBondContact OG1-OE1 3.32Å; F566-Q588 PolarHBondContact O-NE2 3.06Å; F566-Q588 PolarHBondContact O-OE1 3.5Å; N578-Q588 PolarHBondContact ND2-OE1 2.89Å; K584-Q588 VanDerWaalsContact O-CB 3.31Å; K584-Q588 WeakPolarHBondContact O-CB 3.48Å; K584-Q588 VanDerWaalsContact O-CG 3.26Å; K584-Q588 WeakPolarHBondContact O-CG 3.37Å; K584-Q588 PolarHBondContact O-N 3.29Å; D585-Q588 PolarHBondContact O-N 3.38Å; Q588-K590 VanDerWaalsContact C-N 3.33Å; Q588-K590 PolarHBondContact O-N 3.16Å; Q588-S591 PolarHBondContact O-N 3.38Å; Q588-S591 PolarHBondContact O-OG 2.79Å; Q588-G592 PolarHBondContact O-N 3.33Å; Q588-G592 VanDerWaalsContact O-N 3.12Å; Q588-N593 WeakPolarHBondContact CB-O 3.17Å; Q588-N593 PolarHBondContact O-N 3.13Å; Q588-F596 HydrophobicContact CG-CE2 3.75Å; Q588-F596 HydrophobicContact CG-CZ 4.44Å; Q588-F596 VanDerWaalsContact NE2-CD2 3.33Å
589K89.3Confident81.9Confident55 Ų5579.3 Ų79.324%0.23941%0.41CS..Hα-helixtrans-59.5-42173.6-76.4171.6176.4170.30112.4E563 T565 D585 G592 Y594E563-K589 WeakPolarHBondContact O-CE 3.45Å; E563-K589 PolarHBondContact O-NZ 3.37Å; T565-K589 HydrophobicContact CG2-CD 4.47Å; T565-K589 HydrophobicContact CG2-CG 3.69Å; D585-K589 WeakPolarHBondContact O-CB 3.44Å; D585-K589 VanDerWaalsContact O-CG 3.31Å; D585-K589 WeakPolarHBondContact O-CG 3.39Å; D585-K589 PolarHBondContact O-N 3.39Å; D585-K589 VanDerWaalsContact OD1-CE 3.29Å; D585-K589 WeakPolarHBondContact OD1-CE 3.46Å; D585-K589 IonicContact OD1-NZ 2.77Å; D585-K589 PolarHBondContact OD1-NZ 2.67Å; D585-K589 WeakPolarHBondContact OD2-CE 2.99Å; D585-K589 IonicContact OD2-NZ 3.68Å; D585-K589 PolarHBondContact OD2-NZ 3.38Å; K589-G592 PolarHBondContact O-N 2.99Å; K589-Y594 HydrophobicContact CG-CE1 3.82Å
590K89.5Confident81.8Confident186 Ų18678.8 Ų78.881%0.80941%0.411SS*.Hα-helixtrans-65.8-35.8177.8-76.6175.4-179.1-177.60113.2C586 E587 Q588 G592C586-K590 WeakPolarHBondContact O-CB 3.45Å; C586-K590 VanDerWaalsContact O-CG 3.25Å; C586-K590 WeakPolarHBondContact O-CG 3.32Å; C586-K590 PolarHBondContact O-N 3.11Å; E587-K590 PolarHBondContact O-N 3.04Å; Q588-K590 VanDerWaalsContact C-N 3.33Å; Q588-K590 PolarHBondContact O-N 3.16Å; K590-G592 VanDerWaalsContact C-N 3.29Å
591S88.3Confident81.9Confident67 Ų6778.9 Ų78.947%0.46941%0.413SS..Hα-helixtrans-79.4-11.3177.458.20000113.5E587 Q588 N593E587-S591 PolarHBondContact O-N 3.36Å; E587-S591 PolarHBondContact O-OG 3.38Å; Q588-S591 PolarHBondContact O-N 3.38Å; Q588-S591 PolarHBondContact O-OG 2.79Å; S591-N593 PolarHBondContact O-N 2.95Å
592G84.8Confident81.8Confident39 Ų3975.8 Ų75.840%0.40240%0.396SS..THydrogen-bonded Turntrans74.94.3-174.600000113.9Q588 K589 K590 Y594Q588-G592 PolarHBondContact O-N 3.33Å; Q588-G592 VanDerWaalsContact O-N 3.12Å; K589-G592 PolarHBondContact O-N 2.99Å; K590-G592 VanDerWaalsContact C-N 3.29Å; G592-Y594 WeakPolarHBondContact O-CD2 3.34Å
593N86.2Confident81.5Confident69 Ų6978.1 Ų78.137%0.36940%0.404SS..  trans-100.795.2180-67.3-32.1000109.9Q588 S591 F596Q588-N593 WeakPolarHBondContact CB-O 3.17Å; Q588-N593 PolarHBondContact O-N 3.13Å; S591-N593 PolarHBondContact O-N 2.95Å; N593-F596 HydrophobicContact CB-CE1 4.21Å; N593-F596 HydrophobicContact CB-CE2 3.82Å; N593-F596 HydrophobicContact CB-CZ 3.53Å; N593-F596 WeakPolarHBondContact O-CE2 3.2Å
594Y85.8Confident81.1Confident39 Ų3974.6 Ų74.615%0.15339%0.386CS..  trans-85.1-20.2177.8-65.5-99.7000113N556 L559 I564 T565 F566 K589 G592N556-Y594 WeakPolarHBondContact OD1-CA 3.33Å; N556-Y594 PolarHBondContact OD1-N 3.17Å; L559-Y594 HydrophobicContact CB-CD1 4.44Å; L559-Y594 HydrophobicContact CB-CG 4.29Å; L559-Y594 WeakPolarHBondContact CD1-O 3.46Å; I564-Y594 WeakPolarHBondContact O-CD1 3.45Å; T565-Y594 HydrophobicContact CG2-CD1 3.65Å; T565-Y594 HydrophobicContact CG2-CE1 4.11Å; T565-Y594 HydrophobicContact CG2-CG 4.37Å; F566-Y594 PolarHBondContact N-O 3.41Å; K589-Y594 HydrophobicContact CG-CE1 3.82Å; G592-Y594 WeakPolarHBondContact O-CD2 3.34Å
595F83.7Confident80.7Confident6 Ų672.3 Ų72.33%0.02638%0.381CS..  trans-134.9131.8178.9-167.9-107.7000111.3T526 L551 M555 N556 L559 F566 L597T526-F595 HydrophobicContact CG2-CE2 3.84Å; T526-F595 HydrophobicContact CG2-CZ 3.57Å; L551-F595 HydrophobicContact CG-CE1 4.44Å; M555-F595 HydrophobicContact CB-CB 3.96Å; M555-F595 HydrophobicContact CB-CD1 3.89Å; M555-F595 HydrophobicContact CB-CD2 4.32Å; M555-F595 HydrophobicContact CB-CE1 4.46Å; M555-F595 HydrophobicContact CB-CG 3.8Å; M555-F595 HydrophobicContact CE-CD2 4Å; M555-F595 HydrophobicContact CE-CE2 3.83Å; M555-F595 HydrophobicContact CE-CZ 4.28Å; M555-F595 HydrophobicContact CG-CD1 4.32Å; M555-F595 HydrophobicContact CG-CE1 4.4Å; M555-F595 HydrophobicContact CG-CG 4.48Å; N556-F595 PolarHBondContact OD1-N 2.9Å; L559-F595 HydrophobicContact CD1-CB 3.92Å; L559-F595 HydrophobicContact CD1-CD2 4.14Å; L559-F595 HydrophobicContact CD1-CG 4.46Å; F566-F595 HydrophobicContact CB-CD2 4.12Å; F595-L597 HydrophobicContact CD1-CD1 4.26Å; F595-L597 HydrophobicContact CD1-CG 4.34Å; F595-L597 HydrophobicContact CE1-CD1 4.03Å; F595-L597 HydrophobicContact CE1-CD2 4.47Å; F595-L597 HydrophobicContact CE1-CG 3.86Å
596F76.2Confident80.2Confident71 Ų7177.5 Ų77.531%0.31141%0.408SS..  trans-111.9136.8176.9-73.2-93.3000111.4R568 Q588 N593R568-F596 PolarHBondContact NE-O 3.27Å; Q588-F596 HydrophobicContact CG-CE2 3.75Å; Q588-F596 HydrophobicContact CG-CZ 4.44Å; Q588-F596 VanDerWaalsContact NE2-CD2 3.33Å; N593-F596 HydrophobicContact CB-CE1 4.21Å; N593-F596 HydrophobicContact CB-CE2 3.82Å; N593-F596 HydrophobicContact CB-CZ 3.53Å; N593-F596 WeakPolarHBondContact O-CE2 3.2Å
597L64.3Low79.5Confident33 Ų3379.7 Ų79.717%0.17341%0.414CS..  trans-104.4-32.4174.2-90.6144.5000112.9V333 L551 L552 R568 F595V333-L597 HydrophobicContact CB-CD2 4.43Å; V333-L597 HydrophobicContact CG1-CD2 3.9Å; V333-L597 HydrophobicContact CG2-CD2 4.08Å; L551-L597 HydrophobicContact CD2-CD1 4.48Å; L551-L597 HydrophobicContact CD2-CD2 4.14Å; L551-L597 HydrophobicContact CG-CD1 4.46Å; L552-L597 HydrophobicContact CB-CD1 3.53Å; L552-L597 HydrophobicContact CD1-CB 4.36Å; L552-L597 HydrophobicContact CD1-CD1 3.82Å; L552-L597 HydrophobicContact CG-CD1 4.02Å; R568-L597 PolarHBondContact NH1-O 3.39Å; F595-L597 HydrophobicContact CD1-CD1 4.26Å; F595-L597 HydrophobicContact CD1-CG 4.34Å; F595-L597 HydrophobicContact CE1-CD1 4.03Å; F595-L597 HydrophobicContact CE1-CD2 4.47Å; F595-L597 HydrophobicContact CE1-CG 3.86Å
598D63Low78.6Confident126 Ų12676.8 Ų76.867%0.67440%0.403SS*.  trans-115154.8-173.5-53.5-33.4000111.9
599D43.1Very low77.6Confident209 Ų20981.8 Ų81.8100%1.11843%0.431SS*.  cis-111.104.5-70.5-52.3000113.5

Retrieved 599 of 599 residues in 3519.9 ms (Link to these results)

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