A0A3Q0KRP8_SCHMA Loading...

C2H2-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KRP8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 381 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
1M71.4Confident85.1Confident201 Ų20183.2 Ų83.299%0.9945%0.446SS*.  0132.40-75.4178.2178.800107.9I14M1-I14 HydrophobicContact CB-CD1 3.34Å; M1-I14 HydrophobicContact CB-CG1 4.11Å; M1-I14 HydrophobicContact CG-CD1 4.4Å; M1-I14 VanDerWaalsContact O-CG1 3.29Å; M1-I14 WeakPolarHBondContact O-CG1 3.39Å; M1-I14 PolarHBondContact O-N 3.11Å; M1-I14 VanDerWaalsContact O-N 3.12Å; M1-I14 HydrophobicContact SD-CD1 4.26Å
2T83.8Confident85.3Confident102 Ų10277.3 Ų77.363%0.62642%0.415SS*.EExtended strand (participates in β ladder)trans-100.1148178.8470000110V12T2-V12 CarbonylContact C-O 3.53Å
3Y84.6Confident85.7Confident79 Ų7975.2 Ų75.231%0.3141%0.408SS..EExtended strand (participates in β ladder)trans-113.6119.9174164.3-98000107.7C5 V12 R17Y3-C5 HydrophobicContact CD1-CB 4.47Å; Y3-C5 HydrophobicContact CE1-CB 3.84Å; Y3-C5 PolarHBondContact O-N 3.11Å; Y3-V12 PolarHBondContact N-O 3.05Å; Y3-V12 PolarHBondContact O-N 3.11Å; Y3-R17 HydrophobicContact CD1-CG 4Å; Y3-R17 HydrophobicContact CE1-CG 4.23Å; Y3-R17 HydrophobicContact CG-CG 4.3Å
4L88.1Confident85.8Confident109 Ų10975.7 Ų75.757%0.57141%0.409SS*.EExtended strand (participates in β ladder)trans-81.8113.5173.6-17476.3000108.9S6 D11L4-S6 PolarHBondContact O-N 2.99Å; L4-D11 WeakPolarHBondContact CD1-OD1 3.49Å
5C87.2Confident85.9Confident1 Ų177.5 Ų77.51%0.00743%0.43CS..EExtended strand (participates in β ladder)trans-74.9119.5175.8-179.30000110.5Y3 S7 C8 K9 A10 H20 H26Y3-C5 HydrophobicContact CD1-CB 4.47Å; Y3-C5 HydrophobicContact CE1-CB 3.84Å; Y3-C5 PolarHBondContact O-N 3.11Å; C5-S7 VanDerWaalsContact C-N 3.3Å; C5-S7 PolarHBondContact O-N 3.31Å; C5-C8 HydrophobicContact CB-CB 4.19Å; C5-C8 PolarHBondContact O-N 3.18Å; C5-K9 VanDerWaalsContact O-CA 3.3Å; C5-K9 WeakPolarHBondContact O-CA 3.47Å; C5-K9 PolarHBondContact O-N 3.41Å; C5-A10 PolarHBondContact N-O 3.49Å; C5-H20 WeakPolarHBondContact CB-NE2 3.49Å; C5-H20 PolarHBondContact SG-NE2 2.95Å; C5-H26 PolarHBondContact SG-CE1 3.43Å
6S85.8Confident86.1Confident99 Ų9979.1 Ų79.169%0.69243%0.433SS*.THydrogen-bonded Turntrans-61.7-35.1178.252.50000113.3L4L4-S6 PolarHBondContact O-N 2.99Å
7S86.2Confident86.1Confident21 Ų2182 Ų8215%0.14744%0.436CS..THydrogen-bonded Turntrans-75.9-37.3-178.8-48.30000113C5 P39C5-S7 VanDerWaalsContact C-N 3.3Å; C5-S7 PolarHBondContact O-N 3.31Å; S7-P39 WeakPolarHBondContact O-CB 3.16Å
8C87.4Confident86.2Confident10 Ų1082.9 Ų82.97%0.06844%0.44CS..THydrogen-bonded Turntrans-101-14-175.6-60.40000113.9C5 A10 H20 W25C5-C8 HydrophobicContact CB-CB 4.19Å; C5-C8 PolarHBondContact O-N 3.18Å; C8-A10 HydrophobicContact CB-CB 4.35Å; C8-A10 PolarHBondContact O-N 3.42Å; C8-H20 VanDerWaalsContact SG-CE1 3.59Å; C8-W25 HydrophobicContact CB-CH2 3.65Å; C8-W25 HydrophobicContact CB-CZ2 3.85Å; C8-W25 HydrophobicContact CB-CZ3 4.09Å
9K86.4Confident86.3Confident151 Ų15184.6 Ų84.666%0.65745%0.449SS*.THydrogen-bonded Turntrans52.636.5-172-56.9-175.5179.5-176.50113.2C5 P39C5-K9 VanDerWaalsContact O-CA 3.3Å; C5-K9 WeakPolarHBondContact O-CA 3.47Å; C5-K9 PolarHBondContact O-N 3.41Å; K9-P39 HydrophobicContact CD-CG 4.32Å; K9-P39 HydrophobicContact CG-CG 4.44Å
10A86.3Confident86.6Confident27 Ų2781.2 Ų81.222%0.22343%0.43CS..EExtended strand (participates in β ladder)trans-122.8145.4-178.400000111.6C5 C8 W25C5-A10 PolarHBondContact N-O 3.49Å; C8-A10 HydrophobicContact CB-CB 4.35Å; C8-A10 PolarHBondContact O-N 3.42Å; A10-W25 HydrophobicContact CB-CH2 3.52Å; A10-W25 HydrophobicContact CB-CZ2 4.48Å; A10-W25 HydrophobicContact CB-CZ3 4.25Å
11D89.1Confident86.7Confident115 Ų11580.5 Ų80.562%0.61543%0.429SS*.EExtended strand (participates in β ladder)trans-83.5111.5176.5-68.8-46.2000109.7L4L4-D11 WeakPolarHBondContact CD1-OD1 3.49Å
12V87.9Confident87.5Confident12 Ų1280 Ų807%0.07342%0.416CS..EExtended strand (participates in β ladder)trans-110.6134.8-179.1-177.80000108.9T2 Y3 I14 E16 H20T2-V12 CarbonylContact C-O 3.53Å; Y3-V12 PolarHBondContact N-O 3.05Å; Y3-V12 PolarHBondContact O-N 3.11Å; V12-I14 PolarHBondContact O-N 3.12Å; V12-E16 HydrophobicContact CG1-CB 4.29Å; V12-H20 HydrophobicContact CG1-CB 3.7Å; V12-H20 HydrophobicContact CG2-CB 4.2Å
13P89.9Confident87.8Confident50 Ų5076.8 Ų76.833%0.32540%0.398SS..EExtended strand (participates in β ladder)trans-62.7138.6174.125-31.1000110.6S15 E16 R17P13-S15 PolarHBondContact O-N 3.06Å; P13-E16 HydrophobicContact CG-CB 4.04Å; P13-E16 HydrophobicContact CG-CG 4Å; P13-E16 PolarHBondContact O-N 2.95Å; P13-R17 PolarHBondContact O-N 2.68Å
14I87Confident88.2Confident83 Ų8377.5 Ų77.543%0.42641%0.407SS..G310 helixtrans-56-31.5-175.2-74-178.6000112.8M1 V12 E16 R17M1-I14 HydrophobicContact CB-CD1 3.34Å; M1-I14 HydrophobicContact CB-CG1 4.11Å; M1-I14 HydrophobicContact CG-CD1 4.4Å; M1-I14 VanDerWaalsContact O-CG1 3.29Å; M1-I14 WeakPolarHBondContact O-CG1 3.39Å; M1-I14 PolarHBondContact O-N 3.11Å; M1-I14 VanDerWaalsContact O-N 3.12Å; M1-I14 HydrophobicContact SD-CD1 4.26Å; V12-I14 PolarHBondContact O-N 3.12Å; I14-E16 PolarHBondContact O-N 3.45Å; I14-R17 WeakPolarHBondContact O-CB 3.29Å; I14-R17 PolarHBondContact O-N 3.29Å
15S88.3Confident88.4Confident103 Ų10373.2 Ų73.272%0.7238%0.383SS*.G310 helixtrans-60.2-32175.245.70000113.4P13P13-S15 PolarHBondContact O-N 3.06Å
16E88Confident88.6Confident103 Ų10374 Ų7448%0.48139%0.387SS..G310 helixtrans-102.85.9-175.8-61.6178.5-178.100112.8V12 P13 I14 I18 N19 H20V12-E16 HydrophobicContact CG1-CB 4.29Å; P13-E16 HydrophobicContact CG-CB 4.04Å; P13-E16 HydrophobicContact CG-CG 4Å; P13-E16 PolarHBondContact O-N 2.95Å; I14-E16 PolarHBondContact O-N 3.45Å; E16-I18 PolarHBondContact O-N 3.07Å; E16-I18 VanDerWaalsContact O-N 3.16Å; E16-N19 PolarHBondContact O-N 3.22Å; E16-H20 PolarHBondContact O-N 2.75Å
17R85.8Confident88.9Confident128 Ų12872.6 Ų72.648%0.48337%0.371SS..Hα-helixtrans-51.4-43.4-179.1-172.1-172.676.1-171.82.3112.3Y3 P13 I14 V21Y3-R17 HydrophobicContact CD1-CG 4Å; Y3-R17 HydrophobicContact CE1-CG 4.23Å; Y3-R17 HydrophobicContact CG-CG 4.3Å; P13-R17 PolarHBondContact O-N 2.68Å; I14-R17 WeakPolarHBondContact O-CB 3.29Å; I14-R17 PolarHBondContact O-N 3.29Å; R17-V21 VanDerWaalsContact O-CG2 3.29Å; R17-V21 WeakPolarHBondContact O-CG2 3.34Å; R17-V21 PolarHBondContact O-N 3.03Å; R17-V21 VanDerWaalsContact O-N 3.1Å
18I88.3Confident89.2Confident99 Ų9975 Ų7551%0.50838%0.377SS..Hα-helixtrans-68-43.1-178.9-61173.8000110.6E16 V21 R22E16-I18 PolarHBondContact O-N 3.07Å; E16-I18 VanDerWaalsContact O-N 3.16Å; I18-V21 PolarHBondContact O-N 3.33Å; I18-R22 WeakPolarHBondContact O-CG 3.05Å; I18-R22 PolarHBondContact O-N 3.46Å
19N89Confident89.5Confident114 Ų11474.5 Ų74.561%0.6137%0.374SS*.Hα-helixtrans-66.8-40.6179.2-67.5-8.8000111.2E16 R22 S23E16-N19 PolarHBondContact O-N 3.22Å; N19-R22 PolarHBondContact O-N 2.87Å; N19-S23 PolarHBondContact O-N 3.35Å
20H90.9Very high89.8Confident16 Ų1671.1 Ų71.17%0.07436%0.362CS..Hα-helixtrans-60.4-49.3174.9170.573.6000111.9C5 C8 V12 E16 R22 S23 W25 H26C5-H20 WeakPolarHBondContact CB-NE2 3.49Å; C5-H20 PolarHBondContact SG-NE2 2.95Å; C8-H20 VanDerWaalsContact SG-CE1 3.59Å; V12-H20 HydrophobicContact CG1-CB 3.7Å; V12-H20 HydrophobicContact CG2-CB 4.2Å; E16-H20 PolarHBondContact O-N 2.75Å; H20-R22 PolarHBondContact O-N 3.26Å; H20-S23 VanDerWaalsContact O-CB 3.31Å; H20-S23 WeakPolarHBondContact O-CB 3.31Å; H20-S23 PolarHBondContact O-N 3.19Å; H20-S23 PolarHBondContact O-OG 2.95Å; H20-W25 AromaticContact CE1-CE3 3.65Å; H20-W25 AromaticContact CE1-CZ3 3.33Å; H20-W25 WeakPolarHBondContact CE1-CZ3 3.47Å; H20-W25 AromaticContact ND1-CE3 3.85Å; H20-W25 AromaticContact ND1-CZ3 3.66Å; H20-H26 AromaticContact CD2-ND1 3.59Å; H20-H26 AromaticContact CE1-ND1 3.82Å; H20-H26 AromaticContact NE2-CE1 3.97Å; H20-H26 AromaticContact NE2-CG 3.93Å; H20-H26 AromaticContact NE2-ND1 3.04Å; H20-H26 PolarHBondContact NE2-ND1 2.96Å; H20-H26 WeakPolarHBondContact O-CB 3.27Å
21V89.2Confident90Very high67 Ų6776.5 Ų76.541%0.40638%0.381SS..Hα-helixtrans-63.3-27.9-178.81750000112.3R17 I18 H26R17-V21 VanDerWaalsContact O-CG2 3.29Å; R17-V21 WeakPolarHBondContact O-CG2 3.34Å; R17-V21 PolarHBondContact O-N 3.03Å; R17-V21 VanDerWaalsContact O-N 3.1Å; I18-V21 PolarHBondContact O-N 3.33Å; V21-H26 PolarHBondContact O-CD2 3.18Å; V21-H26 VanDerWaalsContact O-CD2 3.31Å
22R89.4Confident90.3Very high191 Ų19173.2 Ų73.272%0.72136%0.36SS*.Hα-helixtrans-85.5-11.3174.8-69.7-180175.9179.4-2.3114.4I18 N19 H20I18-R22 WeakPolarHBondContact O-CG 3.05Å; I18-R22 PolarHBondContact O-N 3.46Å; N19-R22 PolarHBondContact O-N 2.87Å; H20-R22 PolarHBondContact O-N 3.26Å
23S90Very high90.3Very high35 Ų3575.9 Ų75.925%0.24538%0.376CS..SBendtrans-67.8146.6-176.571.20000112.4N19 H20 W25 H26 I27N19-S23 PolarHBondContact O-N 3.35Å; H20-S23 VanDerWaalsContact O-CB 3.31Å; H20-S23 WeakPolarHBondContact O-CB 3.31Å; H20-S23 PolarHBondContact O-N 3.19Å; H20-S23 PolarHBondContact O-OG 2.95Å; S23-W25 PolarHBondContact O-N 3.21Å; S23-W25 VanDerWaalsContact O-N 3.15Å; S23-H26 PolarHBondContact O-N 3.2Å; S23-H26 VanDerWaalsContact O-N 3.11Å; S23-H26 WeakPolarHBondContact OG-CB 3.45Å; S23-H26 PolarHBondContact OG-N 3.34Å; S23-I27 WeakPolarHBondContact O-CG1 3.38Å; S23-I27 PolarHBondContact O-N 3.35Å; S23-I27 VanDerWaalsContact O-N 3.1Å
24D92Very high90.3Very high93 Ų9379.1 Ų79.150%0.49740%0.395SS..Hα-helixtrans-53.7-35.9174.9-67.8-16000111.9I27 Y28 F45 K49D24-I27 PolarHBondContact O-N 2.96Å; D24-Y28 WeakPolarHBondContact O-CB 3.46Å; D24-Y28 PolarHBondContact O-N 3.3Å; D24-F45 HydrophobicContact CB-CE1 4.18Å; D24-F45 HydrophobicContact CB-CZ 3.65Å; D24-K49 IonicContact OD2-NZ 3.82Å; D24-K49 PolarHBondContact OD2-NZ 3.13Å
25W93.1Very high90.4Very high19 Ų1978.8 Ų78.87%0.07240%0.4CS..Hα-helixtrans-65.1-45.2179.7175.654.7000112.1C8 A10 H20 S23 Y28 N29 I40 E42 F45C8-W25 HydrophobicContact CB-CH2 3.65Å; C8-W25 HydrophobicContact CB-CZ2 3.85Å; C8-W25 HydrophobicContact CB-CZ3 4.09Å; A10-W25 HydrophobicContact CB-CH2 3.52Å; A10-W25 HydrophobicContact CB-CZ2 4.48Å; A10-W25 HydrophobicContact CB-CZ3 4.25Å; H20-W25 AromaticContact CE1-CE3 3.65Å; H20-W25 AromaticContact CE1-CZ3 3.33Å; H20-W25 WeakPolarHBondContact CE1-CZ3 3.47Å; H20-W25 AromaticContact ND1-CE3 3.85Å; H20-W25 AromaticContact ND1-CZ3 3.66Å; S23-W25 PolarHBondContact O-N 3.21Å; S23-W25 VanDerWaalsContact O-N 3.15Å; W25-Y28 PolarHBondContact O-N 2.88Å; W25-N29 PolarHBondContact NE1-ND2 3.28Å; W25-N29 VanDerWaalsContact NE1-ND2 3.12Å; W25-N29 PolarHBondContact O-N 3.43Å; W25-I40 PolarHBondContact NE1-O 3.2Å; W25-E42 HydrophobicContact CD2-CB 4.33Å; W25-E42 HydrophobicContact CD2-CG 4.48Å; W25-E42 HydrophobicContact CH2-CB 4.44Å; W25-E42 HydrophobicContact CZ2-CB 4.13Å; W25-F45 HydrophobicContact CB-CD1 3.67Å; W25-F45 HydrophobicContact CB-CE1 3.78Å; W25-F45 HydrophobicContact CB-CG 4.17Å; W25-F45 HydrophobicContact CB-CZ 4.35Å; W25-F45 VanDerWaalsContact CD1-CB 3.43Å; W25-F45 AromaticContact CD1-CD1 3.81Å; W25-F45 AromaticContact CD1-CG 3.51Å; W25-F45 HydrophobicContact CG-CB 4.4Å; W25-F45 HydrophobicContact CG-CD1 4.05Å; W25-F45 HydrophobicContact CG-CG 4.19Å
26H91.1Very high90.4Very high17 Ų1781.6 Ų81.68%0.07941%0.407CS..Hα-helixtrans-63.9-45.2176.3-177.193000111.4C5 H20 V21 S23 Y28 N29 L30C5-H26 PolarHBondContact SG-CE1 3.43Å; H20-H26 AromaticContact CD2-ND1 3.59Å; H20-H26 AromaticContact CE1-ND1 3.82Å; H20-H26 AromaticContact NE2-CE1 3.97Å; H20-H26 AromaticContact NE2-CG 3.93Å; H20-H26 AromaticContact NE2-ND1 3.04Å; H20-H26 PolarHBondContact NE2-ND1 2.96Å; H20-H26 WeakPolarHBondContact O-CB 3.27Å; V21-H26 PolarHBondContact O-CD2 3.18Å; V21-H26 VanDerWaalsContact O-CD2 3.31Å; S23-H26 PolarHBondContact O-N 3.2Å; S23-H26 VanDerWaalsContact O-N 3.11Å; S23-H26 WeakPolarHBondContact OG-CB 3.45Å; S23-H26 PolarHBondContact OG-N 3.34Å; H26-Y28 VanDerWaalsContact C-N 3.3Å; H26-Y28 PolarHBondContact O-N 3.28Å; H26-N29 PolarHBondContact O-N 3.02Å; H26-L30 VanDerWaalsContact O-CB 3.29Å; H26-L30 WeakPolarHBondContact O-CB 3.4Å; H26-L30 PolarHBondContact O-N 3.37Å
27I92.4Very high90.5Very high70 Ų7081 Ų8136%0.35941%0.406SS..Hα-helixtrans-61.3-40.7177.2-62.9168.3000110.6S23 D24 L30 K31S23-I27 WeakPolarHBondContact O-CG1 3.38Å; S23-I27 PolarHBondContact O-N 3.35Å; S23-I27 VanDerWaalsContact O-N 3.1Å; D24-I27 PolarHBondContact O-N 2.96Å; I27-L30 PolarHBondContact O-N 3.36Å; I27-K31 WeakPolarHBondContact O-CG 3.4Å; I27-K31 PolarHBondContact O-N 3.15Å
28Y92.3Very high90.7Very high72 Ų7281.3 Ų81.328%0.28242%0.417SS..Hα-helixtrans-64.1-47.7176.7-177.7-103.2000112D24 W25 H26 L30 K31 R32 I40 F45D24-Y28 WeakPolarHBondContact O-CB 3.46Å; D24-Y28 PolarHBondContact O-N 3.3Å; W25-Y28 PolarHBondContact O-N 2.88Å; H26-Y28 VanDerWaalsContact C-N 3.3Å; H26-Y28 PolarHBondContact O-N 3.28Å; Y28-L30 VanDerWaalsContact C-N 3.35Å; Y28-L30 PolarHBondContact O-N 3.13Å; Y28-K31 PolarHBondContact O-N 2.99Å; Y28-R32 VanDerWaalsContact CE1-CD 3.49Å; Y28-R32 HydrophobicContact CE1-CG 4.33Å; Y28-R32 WeakPolarHBondContact O-CG 3.46Å; Y28-R32 PolarHBondContact O-N 3.17Å; Y28-R32 VanDerWaalsContact O-N 3.08Å; Y28-I40 HydrophobicContact CE1-CD1 4.05Å; Y28-F45 AromaticContact CD1-CD2 3.55Å; Y28-F45 HydrophobicContact CD1-CD2 3.55Å; Y28-F45 HydrophobicContact CD1-CE2 4.02Å; Y28-F45 HydrophobicContact CD2-CE2 4.29Å; Y28-F45 HydrophobicContact CE1-CD2 4.12Å; Y28-F45 AromaticContact CG-CD2 3.78Å; Y28-F45 HydrophobicContact CG-CD2 3.78Å; Y28-F45 AromaticContact CG-CE2 3.73Å; Y28-F45 HydrophobicContact CG-CE2 3.73Å
29N93.9Very high90.8Very high0 Ų078.3 Ų78.30%040%0.404CS..Hα-helixtrans-65.3-36.9176.5-84.8-16.6000112.5W25 H26 R32 V33 P39 I40W25-N29 PolarHBondContact NE1-ND2 3.28Å; W25-N29 VanDerWaalsContact NE1-ND2 3.12Å; W25-N29 PolarHBondContact O-N 3.43Å; H26-N29 PolarHBondContact O-N 3.02Å; N29-R32 WeakPolarHBondContact O-CB 3.47Å; N29-R32 PolarHBondContact O-N 3.15Å; N29-V33 WeakPolarHBondContact O-CG2 3.46Å; N29-V33 PolarHBondContact O-N 3.45Å; N29-P39 HydrophobicContact CB-CB 4.36Å; N29-I40 PolarHBondContact ND2-O 3.49Å; N29-I40 PolarHBondContact OD1-N 2.9Å; N29-I40 PolarHBondContact OD1-O 3.3Å
30L91.8Very high91Very high79 Ų7974 Ų7441%0.41438%0.38SS..Hα-helixtrans-60-47174.2-163.7105.7000111.2H26 I27 Y28 R32 V33 V34H26-L30 VanDerWaalsContact O-CB 3.29Å; H26-L30 WeakPolarHBondContact O-CB 3.4Å; H26-L30 PolarHBondContact O-N 3.37Å; I27-L30 PolarHBondContact O-N 3.36Å; Y28-L30 VanDerWaalsContact C-N 3.35Å; Y28-L30 PolarHBondContact O-N 3.13Å; L30-R32 VanDerWaalsContact C-N 3.27Å; L30-R32 PolarHBondContact O-N 3.42Å; L30-V33 PolarHBondContact O-N 3.27Å; L30-V34 WeakPolarHBondContact O-CG2 3.33Å; L30-V34 PolarHBondContact O-N 3.23Å
31K91.6Very high91Very high141 Ų14176 Ų7661%0.61340%0.397SS*.Hα-helixtrans-60.5-35.5175.1-73.6176.7-179.2179.50112.7I27 Y28 S35I27-K31 WeakPolarHBondContact O-CG 3.4Å; I27-K31 PolarHBondContact O-N 3.15Å; Y28-K31 PolarHBondContact O-N 2.99Å; K31-S35 WeakPolarHBondContact O-CB 3.43Å; K31-S35 PolarHBondContact O-N 3.4Å; K31-S35 PolarHBondContact O-OG 2.63Å
32R93.5Very high91.1Very high45 Ų4578.2 Ų78.217%0.1740%0.402CS..Hα-helixtrans-66.9-47.3175.3-70.3178.865.576.13111.8Y28 N29 L30 V34 S35 D36 L37 L38Y28-R32 VanDerWaalsContact CE1-CD 3.49Å; Y28-R32 HydrophobicContact CE1-CG 4.33Å; Y28-R32 WeakPolarHBondContact O-CG 3.46Å; Y28-R32 PolarHBondContact O-N 3.17Å; Y28-R32 VanDerWaalsContact O-N 3.08Å; N29-R32 WeakPolarHBondContact O-CB 3.47Å; N29-R32 PolarHBondContact O-N 3.15Å; L30-R32 VanDerWaalsContact C-N 3.27Å; L30-R32 PolarHBondContact O-N 3.42Å; R32-V34 VanDerWaalsContact C-N 3.33Å; R32-V34 PolarHBondContact O-N 3.26Å; R32-S35 CarbonylContact O-C 3.54Å; R32-S35 WeakPolarHBondContact O-CA 3.47Å; R32-S35 PolarHBondContact O-N 3.32Å; R32-D36 PolarHBondContact O-N 3.41Å; R32-L37 CarbonylContact C-O 3.36Å; R32-L37 HydrophobicContact CB-CB 4.05Å; R32-L37 WeakPolarHBondContact O-CA 3.41Å; R32-L37 WeakPolarHBondContact O-CB 3.23Å; R32-L37 PolarHBondContact O-N 2.92Å; R32-L38 PolarHBondContact NE-O 3.19Å; R32-L38 PolarHBondContact NH2-O 3.41Å
33V89.7Confident91.2Very high69 Ų6975.4 Ų75.442%0.41840%0.402SS..Hα-helixtrans-62-40.9178.41730000111.2N29 L30 S35 D36N29-V33 WeakPolarHBondContact O-CG2 3.46Å; N29-V33 PolarHBondContact O-N 3.45Å; L30-V33 PolarHBondContact O-N 3.27Å; V33-S35 PolarHBondContact O-N 3.4Å; V33-D36 PolarHBondContact O-N 3.48Å
34V90.1Very high91.3Very high117 Ų11778.3 Ų78.371%0.70941%0.412SS*.Hα-helixtrans-63.4-25.6174.11720000112.4L30 R32L30-V34 WeakPolarHBondContact O-CG2 3.33Å; L30-V34 PolarHBondContact O-N 3.23Å; R32-V34 VanDerWaalsContact C-N 3.33Å; R32-V34 PolarHBondContact O-N 3.26Å
35S88.6Confident91.4Very high76 Ų7675.1 Ų75.153%0.53139%0.394SS..THydrogen-bonded Turntrans-97.319.1178.1-49.60000113.1K31 R32 V33 L37K31-S35 WeakPolarHBondContact O-CB 3.43Å; K31-S35 PolarHBondContact O-N 3.4Å; K31-S35 PolarHBondContact O-OG 2.63Å; R32-S35 CarbonylContact O-C 3.54Å; R32-S35 WeakPolarHBondContact O-CA 3.47Å; R32-S35 PolarHBondContact O-N 3.32Å; V33-S35 PolarHBondContact O-N 3.4Å; S35-L37 PolarHBondContact O-N 3.43Å; S35-L37 VanDerWaalsContact O-N 3.1Å
36D88.2Confident91.3Very high162 Ų16277.3 Ų77.387%0.86641%0.41SS*.THydrogen-bonded Turntrans56.321.9-176-60.9-41.6000114.9R32 V33R32-D36 PolarHBondContact O-N 3.41Å; V33-D36 PolarHBondContact O-N 3.48Å
37L89.6Confident91.3Very high91 Ų9181.1 Ų81.148%0.47643%0.427SS..PPolyproline II helixtrans-96.7140.5176.5-62.8176.1000111.1R32 S35R32-L37 CarbonylContact C-O 3.36Å; R32-L37 HydrophobicContact CB-CB 4.05Å; R32-L37 WeakPolarHBondContact O-CA 3.41Å; R32-L37 WeakPolarHBondContact O-CB 3.23Å; R32-L37 PolarHBondContact O-N 2.92Å; S35-L37 PolarHBondContact O-N 3.43Å; S35-L37 VanDerWaalsContact O-N 3.1Å
38L90.4Very high91.2Very high135 Ų13581.1 Ų81.171%0.70743%0.425SS*.PPolyproline II helixtrans-59137.4176.4-72.3160.3000111.4R32R32-L38 PolarHBondContact NE-O 3.19Å; R32-L38 PolarHBondContact NH2-O 3.41Å
39P90.2Very high91.1Very high35 Ų3582.8 Ų82.823%0.22743%0.433CS..PPolyproline II helixtrans-63152.4174.826.5-33.1000111.1S7 K9 N29S7-P39 WeakPolarHBondContact O-CB 3.16Å; K9-P39 HydrophobicContact CD-CG 4.32Å; K9-P39 HydrophobicContact CG-CG 4.44Å; N29-P39 HydrophobicContact CB-CB 4.36Å
40I92.2Very high90.7Very high23 Ų2388.5 Ų88.512%0.11846%0.46CS..  trans-110.7143.9-176.5-71.2175.1000109.4W25 Y28 N29 M44 K48W25-I40 PolarHBondContact NE1-O 3.2Å; Y28-I40 HydrophobicContact CE1-CD1 4.05Å; N29-I40 PolarHBondContact ND2-O 3.49Å; N29-I40 PolarHBondContact OD1-N 2.9Å; N29-I40 PolarHBondContact OD1-O 3.3Å; I40-M44 HydrophobicContact CG2-CB 3.23Å; I40-M44 HydrophobicContact CG2-CG 4.33Å; I40-K48 HydrophobicContact CD1-CD 4.4Å; I40-K48 VanDerWaalsContact CD1-NZ 3.28Å
41S92.4Very high90.4Very high60 Ų6088.7 Ų88.742%0.4246%0.461SS..  trans-64.3158.7174.960.20000112.3D43 M44 F45S41-D43 VanDerWaalsContact C-N 3.33Å; S41-D43 PolarHBondContact O-N 2.82Å; S41-M44 PolarHBondContact O-N 2.77Å; S41-M44 WeakPolarHBondContact OG-CG 3.38Å; S41-F45 PolarHBondContact O-N 3.03Å
42E90.7Very high89.9Confident113 Ų11387.7 Ų87.753%0.52846%0.461SS..Hα-helixtrans-59.1-43.5-179.4-172.2167.1-16300112.1W25 M44 F45 V46W25-E42 HydrophobicContact CD2-CB 4.33Å; W25-E42 HydrophobicContact CD2-CG 4.48Å; W25-E42 HydrophobicContact CH2-CB 4.44Å; W25-E42 HydrophobicContact CZ2-CB 4.13Å; E42-M44 VanDerWaalsContact C-N 3.31Å; E42-M44 PolarHBondContact O-N 3.35Å; E42-F45 WeakPolarHBondContact O-CB 3.47Å; E42-F45 PolarHBondContact O-N 2.83Å; E42-F45 VanDerWaalsContact O-N 3.08Å; E42-V46 WeakPolarHBondContact O-CG2 3.41Å; E42-V46 PolarHBondContact O-N 2.85Å
43D91.7Very high89.2Confident131 Ų13188.9 Ų88.970%0.70148%0.481SS*.Hα-helixtrans-57-43.3177.7-56.7-36.4000112.6S41 V46 H47S41-D43 VanDerWaalsContact C-N 3.33Å; S41-D43 PolarHBondContact O-N 2.82Å; D43-V46 PolarHBondContact O-N 3.25Å; D43-H47 WeakPolarHBondContact O-CB 3.07Å; D43-H47 PolarHBondContact O-N 2.75Å
44M91.5Very high88.5Confident96 Ų9689.6 Ų89.647%0.47349%0.494SS..Hα-helixtrans-72.7-30.8179.9-73.2-64-66.300112I40 S41 E42 K48I40-M44 HydrophobicContact CG2-CB 3.23Å; I40-M44 HydrophobicContact CG2-CG 4.33Å; S41-M44 PolarHBondContact O-N 2.77Å; S41-M44 WeakPolarHBondContact OG-CG 3.38Å; E42-M44 VanDerWaalsContact C-N 3.31Å; E42-M44 PolarHBondContact O-N 3.35Å; M44-K48 WeakPolarHBondContact O-CB 3.1Å; M44-K48 WeakPolarHBondContact O-CG 2.95Å; M44-K48 PolarHBondContact O-N 2.89Å
45F93.4Very high87.4Confident27 Ų2791.3 Ų91.312%0.11849%0.494CS..Hα-helixtrans-67.8-45.7172.5171.1-102.2000111.4D24 W25 Y28 S41 E42 K48 K49D24-F45 HydrophobicContact CB-CE1 4.18Å; D24-F45 HydrophobicContact CB-CZ 3.65Å; W25-F45 HydrophobicContact CB-CD1 3.67Å; W25-F45 HydrophobicContact CB-CE1 3.78Å; W25-F45 HydrophobicContact CB-CG 4.17Å; W25-F45 HydrophobicContact CB-CZ 4.35Å; W25-F45 VanDerWaalsContact CD1-CB 3.43Å; W25-F45 AromaticContact CD1-CD1 3.81Å; W25-F45 AromaticContact CD1-CG 3.51Å; W25-F45 HydrophobicContact CG-CB 4.4Å; W25-F45 HydrophobicContact CG-CD1 4.05Å; W25-F45 HydrophobicContact CG-CG 4.19Å; Y28-F45 AromaticContact CD1-CD2 3.55Å; Y28-F45 HydrophobicContact CD1-CD2 3.55Å; Y28-F45 HydrophobicContact CD1-CE2 4.02Å; Y28-F45 HydrophobicContact CD2-CE2 4.29Å; Y28-F45 HydrophobicContact CE1-CD2 4.12Å; Y28-F45 AromaticContact CG-CD2 3.78Å; Y28-F45 HydrophobicContact CG-CD2 3.78Å; Y28-F45 AromaticContact CG-CE2 3.73Å; Y28-F45 HydrophobicContact CG-CE2 3.73Å; S41-F45 PolarHBondContact O-N 3.03Å; E42-F45 WeakPolarHBondContact O-CB 3.47Å; E42-F45 PolarHBondContact O-N 2.83Å; E42-F45 VanDerWaalsContact O-N 3.08Å; F45-K48 PolarHBondContact O-N 2.99Å; F45-K49 HydrophobicContact CE1-CD 4.36Å; F45-K49 HydrophobicContact CZ-CD 4.35Å; F45-K49 WeakPolarHBondContact O-CB 3.46Å; F45-K49 PolarHBondContact O-N 3.13Å
46V92.4Very high85.7Confident65 Ų6590.3 Ų90.339%0.39449%0.49SS..Hα-helixtrans-61.8-45.8175.9174.60000110.5E42 D43 K48 K49 Q50E42-V46 WeakPolarHBondContact O-CG2 3.41Å; E42-V46 PolarHBondContact O-N 2.85Å; D43-V46 PolarHBondContact O-N 3.25Å; V46-K48 PolarHBondContact O-N 3.31Å; V46-K49 PolarHBondContact O-N 3.27Å; V46-K49 VanDerWaalsContact O-N 3.17Å; V46-Q50 WeakPolarHBondContact O-CG 3.48Å; V46-Q50 PolarHBondContact O-N 2.98Å
47H91.1Very high84.1Confident97 Ų9787.6 Ų87.645%0.44948%0.481SS..Hα-helixtrans-59.5-44176.2-173.9-97.2000111.9D43 Q50 L51D43-H47 WeakPolarHBondContact O-CB 3.07Å; D43-H47 PolarHBondContact O-N 2.75Å; H47-Q50 PolarHBondContact O-N 2.75Å; H47-L51 WeakPolarHBondContact O-CG 3.43Å; H47-L51 PolarHBondContact O-N 3.09Å
48K89.1Confident82.4Confident69 Ų6989.7 Ų89.730%0.350%0.498SS..Hα-helixtrans-63.9-40.1174.3-82.8-177.9173.2-172.60113I40 M44 F45 V46 Q50 L51 I52I40-K48 HydrophobicContact CD1-CD 4.4Å; I40-K48 VanDerWaalsContact CD1-NZ 3.28Å; M44-K48 WeakPolarHBondContact O-CB 3.1Å; M44-K48 WeakPolarHBondContact O-CG 2.95Å; M44-K48 PolarHBondContact O-N 2.89Å; F45-K48 PolarHBondContact O-N 2.99Å; V46-K48 PolarHBondContact O-N 3.31Å; K48-Q50 VanDerWaalsContact C-N 3.3Å; K48-Q50 PolarHBondContact O-N 3.18Å; K48-L51 PolarHBondContact O-N 3.28Å; K48-I52 VanDerWaalsContact O-CG1 3.31Å; K48-I52 WeakPolarHBondContact O-CG1 3.5Å; K48-I52 PolarHBondContact O-N 2.68Å
49K90.2Very high80.4Confident108 Ų10887.4 Ų87.447%0.4750%0.498SS..Hα-helixtrans-63.2-38.5176.7-168.9170.9179.8172.30110.8D24 F45 V46 A53D24-K49 IonicContact OD2-NZ 3.82Å; D24-K49 PolarHBondContact OD2-NZ 3.13Å; F45-K49 HydrophobicContact CE1-CD 4.36Å; F45-K49 HydrophobicContact CZ-CD 4.35Å; F45-K49 WeakPolarHBondContact O-CB 3.46Å; F45-K49 PolarHBondContact O-N 3.13Å; V46-K49 PolarHBondContact O-N 3.27Å; V46-K49 VanDerWaalsContact O-N 3.17Å; K49-A53 VanDerWaalsContact O-CB 3.31Å; K49-A53 WeakPolarHBondContact O-CB 3.35Å; K49-A53 PolarHBondContact O-N 3.38Å
50Q87.3Confident78.5Confident120 Ų12090.4 Ų90.456%0.56151%0.511SS*.Hα-helixtrans-66.7-43174-71.5173.8-2.700112.5V46 H47 K48 A53 A54V46-Q50 WeakPolarHBondContact O-CG 3.48Å; V46-Q50 PolarHBondContact O-N 2.98Å; H47-Q50 PolarHBondContact O-N 2.75Å; K48-Q50 VanDerWaalsContact C-N 3.3Å; K48-Q50 PolarHBondContact O-N 3.18Å; Q50-A53 PolarHBondContact O-N 2.84Å; Q50-A54 WeakPolarHBondContact O-CB 3.42Å; Q50-A54 PolarHBondContact O-N 3.18Å
51L85.1Confident76.6Confident82 Ų8296.7 Ų96.743%0.42954%0.54SS..Hα-helixtrans-62.1-44.7175.7-70.8175000112H47 K48 A53 A54 E55H47-L51 WeakPolarHBondContact O-CG 3.43Å; H47-L51 PolarHBondContact O-N 3.09Å; K48-L51 PolarHBondContact O-N 3.28Å; L51-A53 VanDerWaalsContact C-N 3.31Å; L51-A53 PolarHBondContact O-N 3.06Å; L51-A54 PolarHBondContact O-N 2.64Å; L51-E55 WeakPolarHBondContact O-CB 3.22Å; L51-E55 WeakPolarHBondContact O-CG 3.42Å; L51-E55 PolarHBondContact O-N 3Å
52I80.2Confident74.9Confident120 Ų120102.3 Ų102.362%0.61556%0.557SS**Hα-helixtrans-66-36.2177.9-65.6165.6000111.1K48 A56K48-I52 VanDerWaalsContact O-CG1 3.31Å; K48-I52 WeakPolarHBondContact O-CG1 3.5Å; K48-I52 PolarHBondContact O-N 2.68Å; I52-A56 PolarHBondContact O-N 2.85Å
53A78.9Confident73.9Confident71 Ų7198 Ų9859%0.58754%0.539SS*.Hα-helixtrans-69.9-32.7174.900000112.5K49 Q50 L51 A56K49-A53 VanDerWaalsContact O-CB 3.31Å; K49-A53 WeakPolarHBondContact O-CB 3.35Å; K49-A53 PolarHBondContact O-N 3.38Å; Q50-A53 PolarHBondContact O-N 2.84Å; L51-A53 VanDerWaalsContact C-N 3.31Å; L51-A53 PolarHBondContact O-N 3.06Å; A53-A56 WeakPolarHBondContact O-CB 3.45Å
54A76Confident73.5Confident83 Ų8397 Ų9769%0.68653%0.526SS*.Hα-helixtrans-77.4-31.2175.800000112.9Q50 L51 A56Q50-A54 WeakPolarHBondContact O-CB 3.42Å; Q50-A54 PolarHBondContact O-N 3.18Å; L51-A54 PolarHBondContact O-N 2.64Å; A54-A56 VanDerWaalsContact C-N 3.33Å
55E65.4Low73.3Confident154 Ų15492.7 Ų92.772%0.7251%0.505SS*.SBendtrans-86.6-3.2174.4-71.8-180173.200113.2L51 P57L51-E55 WeakPolarHBondContact O-CB 3.22Å; L51-E55 WeakPolarHBondContact O-CG 3.42Å; L51-E55 PolarHBondContact O-N 3Å; E55-P57 WeakPolarHBondContact O-CD 3.4Å
56A54.3Low72.8Confident54 Ų5496.5 Ų96.545%0.44653%0.526SS..SBendtrans-56.1119169.800000107.4I52 A53 A54 V58I52-A56 PolarHBondContact O-N 2.85Å; A53-A56 WeakPolarHBondContact O-CB 3.45Å; A54-A56 VanDerWaalsContact C-N 3.33Å; A56-V58 PolarHBondContact O-N 2.88Å
57P54.2Low72.3Confident105 Ų10594.5 Ų94.568%0.68252%0.517SS*.  trans-56.6120.2-176.922.1-31.6000107.1E55 A59E55-P57 WeakPolarHBondContact O-CD 3.4Å; P57-A59 PolarHBondContact O-N 2.75Å
58V52.9Low72Confident135 Ų13590.7 Ų90.782%0.81850%0.501SS*.  trans-36.6113171.1178.40000106A56 I60A56-V58 PolarHBondContact O-N 2.88Å; V58-I60 WeakPolarHBondContact O-CG1 3.4Å; V58-I60 PolarHBondContact O-N 3.4Å
59A49Very low71.8Confident87 Ų8794.8 Ų94.872%0.71952%0.519SS*.  trans-44.2104.7-169.200000107.8P57 E61P57-A59 PolarHBondContact O-N 2.75Å; A59-E61 VanDerWaalsContact C-N 3.3Å; A59-E61 PolarHBondContact O-N 2.88Å
60I50.8Low71.4Confident98 Ų9894.8 Ų94.850%0.50352%0.519SS..  trans-69.5104.5-176.8-53.2168.3000103.3V58 K62 A73V58-I60 WeakPolarHBondContact O-CG1 3.4Å; V58-I60 PolarHBondContact O-N 3.4Å; I60-K62 PolarHBondContact O-N 3.17Å; I60-A73 WeakPolarHBondContact CG2-O 3.49Å
61E52.9Low71.2Confident156 Ų15693.3 Ų93.373%0.72952%0.522SS*.  trans-51.5110.3176.7-74.3-176.3167.600106.5A59 T63A59-E61 VanDerWaalsContact C-N 3.3Å; A59-E61 PolarHBondContact O-N 2.88Å; E61-T63 PolarHBondContact O-N 3.47Å
62K56Low71.2Confident177 Ų17791 Ų9177%0.7751%0.508SS*.  trans-65.988.7174.7-68.3178-176171.60106I60 Y64I60-K62 PolarHBondContact O-N 3.17Å; K62-Y64 PolarHBondContact O-N 2.83Å; K62-Y64 VanDerWaalsContact O-N 3.09Å
63T70.4Confident71.1Confident23 Ų2388.7 Ų88.714%0.14151%0.507CS..EExtended strand (participates in β ladder)trans-67.4110.7176.747.50000107.7E61 F72 F78E61-T63 PolarHBondContact O-N 3.47Å; T63-F72 PolarHBondContact O-N 3.01Å; T63-F78 VanDerWaalsContact CB-CG 3.49Å; T63-F78 HydrophobicContact CG2-CD1 4.06Å; T63-F78 HydrophobicContact CG2-CE1 4.39Å; T63-F78 HydrophobicContact CG2-CG 4.27Å; T63-F78 WeakPolarHBondContact OG1-CB 3.31Å; T63-F78 VanDerWaalsContact OG1-CG 3.23Å; T63-F78 WeakPolarHBondContact OG1-CG 3.31Å
64Y82.4Confident71.3Confident111 Ų11189.6 Ų89.644%0.43550%0.502SS..EExtended strand (participates in β ladder)trans-97135178.8172.3-99.5000110.1K62 N66 K69K62-Y64 PolarHBondContact O-N 2.83Å; K62-Y64 VanDerWaalsContact O-N 3.09Å; Y64-N66 WeakPolarHBondContact CD1-OD1 3.26Å; Y64-N66 HydrophobicContact CE1-CB 4.48Å; Y64-N66 WeakPolarHBondContact CE1-OD1 3.37Å; Y64-K69 HydrophobicContact CE2-CB 4.38Å; Y64-K69 WeakPolarHBondContact OH-CA 3.47Å; Y64-K69 WeakPolarHBondContact OH-CB 3.4Å; Y64-K69 WeakPolarHBondContact OH-CG 3.35Å
65C87.1Confident71.8Confident5 Ų590.2 Ų90.23%0.03449%0.494CS..EExtended strand (participates in β ladder)trans-93.4108.5174.2-177.60000110.6A67 C68 K69 K70 F72 F78 H81 H87C65-A67 VanDerWaalsContact C-N 3.28Å; C65-A67 PolarHBondContact O-N 3.41Å; C65-C68 HydrophobicContact CB-CB 4.22Å; C65-C68 PolarHBondContact O-N 3.39Å; C65-K69 WeakPolarHBondContact O-CA 3.31Å; C65-K69 PolarHBondContact O-N 3.44Å; C65-K70 PolarHBondContact N-O 2.96Å; C65-F72 HydrophobicContact CB-CE2 4.14Å; C65-F78 HydrophobicContact CB-CE2 3.98Å; C65-H81 WeakPolarHBondContact CB-NE2 3.32Å; C65-H81 PolarHBondContact SG-NE2 3.23Å; C65-H87 PolarHBondContact SG-CE1 2.66Å; C65-H87 PolarHBondContact SG-ND1 2.84Å
66N83Confident72.8Confident106 Ų10691.6 Ų91.657%0.56750%0.498SS*.THydrogen-bonded Turntrans-57.8-37.7176.9-68.7-16.7000113.2Y64 C68 F94Y64-N66 WeakPolarHBondContact CD1-OD1 3.26Å; Y64-N66 HydrophobicContact CE1-CB 4.48Å; Y64-N66 WeakPolarHBondContact CE1-OD1 3.37Å; N66-C68 PolarHBondContact O-N 3.49Å; N66-F94 HydrophobicContact CB-CZ 4.33Å
67A83.1Confident74.3Confident23 Ų2391.2 Ų91.219%0.1949%0.492CS..THydrogen-bonded Turntrans-70.8-30.1-179.300000113.3C65 F94C65-A67 VanDerWaalsContact C-N 3.28Å; C65-A67 PolarHBondContact O-N 3.41Å; A67-F94 HydrophobicContact CB-CB 4.08Å; A67-F94 HydrophobicContact CB-CG 4.22Å
68C84.4Confident76Confident17 Ų1788 Ų8812%0.11547%0.467CS..THydrogen-bonded Turntrans-110.6-7.5-174.8-69.60000114.4C65 N66 K70 H81 N90C65-C68 HydrophobicContact CB-CB 4.22Å; C65-C68 PolarHBondContact O-N 3.39Å; N66-C68 PolarHBondContact O-N 3.49Å; C68-K70 VanDerWaalsContact C-N 3.26Å; C68-K70 HydrophobicContact CB-CD 4.4Å; C68-K70 HydrophobicContact CB-CG 4.38Å; C68-K70 PolarHBondContact O-N 3.02Å; C68-H81 PolarHBondContact SG-CE1 2.81Å; C68-N90 PolarHBondContact SG-ND2 3.42Å; C68-N90 VanDerWaalsContact SG-ND2 3.43Å
69K83.3Confident77.6Confident155 Ų15584.7 Ų84.767%0.67445%0.447SS*.THydrogen-bonded Turntrans51.142.6-172.8-53.4-171.8177.3-175.10113.4Y64 C65Y64-K69 HydrophobicContact CE2-CB 4.38Å; Y64-K69 WeakPolarHBondContact OH-CA 3.47Å; Y64-K69 WeakPolarHBondContact OH-CB 3.4Å; Y64-K69 WeakPolarHBondContact OH-CG 3.35Å; C65-K69 WeakPolarHBondContact O-CA 3.31Å; C65-K69 PolarHBondContact O-N 3.44Å
70K82.8Confident79.6Confident108 Ų10883.5 Ų83.547%0.4744%0.438SS..EExtended strand (participates in β ladder)trans-121.2128.9-179.5-71.2178.9-176.2-1670110.4C65 C68 F72C65-K70 PolarHBondContact N-O 2.96Å; C68-K70 VanDerWaalsContact C-N 3.26Å; C68-K70 HydrophobicContact CB-CD 4.4Å; C68-K70 HydrophobicContact CB-CG 4.38Å; C68-K70 PolarHBondContact O-N 3.02Å; K70-F72 HydrophobicContact CB-CD2 4.49Å; K70-F72 HydrophobicContact CB-CE2 3.67Å; K70-F72 HydrophobicContact CB-CZ 3.93Å; K70-F72 WeakPolarHBondContact O-CD2 3.37Å; K70-F72 WeakPolarHBondContact O-CE2 3.38Å
71S84Confident81.4Confident90 Ų9079.8 Ų79.863%0.62942%0.418SS*.EExtended strand (participates in β ladder)trans-88.6137.316952.50000109.8
72F84.1Confident83.1Confident32 Ų3275.6 Ų75.614%0.1440%0.401CS..EExtended strand (participates in β ladder)trans-113.7132.7179.1-68.6-90.8000109.4T63 C65 K70 F78 H81T63-F72 PolarHBondContact O-N 3.01Å; C65-F72 HydrophobicContact CB-CE2 4.14Å; K70-F72 HydrophobicContact CB-CD2 4.49Å; K70-F72 HydrophobicContact CB-CE2 3.67Å; K70-F72 HydrophobicContact CB-CZ 3.93Å; K70-F72 WeakPolarHBondContact O-CD2 3.37Å; K70-F72 WeakPolarHBondContact O-CE2 3.38Å; F72-F78 HydrophobicContact CB-CB 3.97Å; F72-F78 HydrophobicContact CB-CD2 4.33Å; F72-F78 HydrophobicContact CD2-CB 4.45Å; F72-F78 AromaticContact CD2-CD2 3.53Å; F72-F78 HydrophobicContact CD2-CD2 3.53Å; F72-F78 HydrophobicContact CD2-CE2 4.31Å; F72-F78 HydrophobicContact CD2-CG 4.48Å; F72-F78 HydrophobicContact CE2-CD2 4.13Å; F72-F78 HydrophobicContact CG-CB 4.15Å; F72-F78 HydrophobicContact CG-CD2 4.08Å; F72-H81 HydrophobicContact CD1-CB 4.32Å; F72-H81 HydrophobicContact CE1-CB 3.52Å; F72-H81 AromaticContact CE1-CG 3.81Å; F72-H81 HydrophobicContact CE2-CB 4Å; F72-H81 AromaticContact CE2-CD2 3.38Å; F72-H81 WeakPolarHBondContact CE2-CD2 3.33Å; F72-H81 AromaticContact CE2-CG 3.58Å; F72-H81 AromaticContact CE2-NE2 3.88Å; F72-H81 HydrophobicContact CZ-CB 3.34Å; F72-H81 AromaticContact CZ-CD2 3.41Å; F72-H81 VanDerWaalsContact CZ-CD2 3.41Å; F72-H81 WeakPolarHBondContact CZ-CD2 3.2Å; F72-H81 AromaticContact CZ-CE1 3.89Å; F72-H81 AromaticContact CZ-CG 3.07Å; F72-H81 AromaticContact CZ-ND1 3.43Å; F72-H81 WeakPolarHBondContact CZ-ND1 3.38Å; F72-H81 AromaticContact CZ-NE2 3.91Å
73A78.4Confident84.7Confident73 Ų7373.6 Ų73.660%0.60340%0.397SS*.SBendtrans-74.9-27.9-178.800000112.6I60I60-A73 WeakPolarHBondContact CG2-O 3.49Å
74N83.7Confident85.6Confident90 Ų9074.4 Ų74.448%0.48140%0.403SS..SBendtrans-128.4139.4-177.8-68.1-3.8000111K76 S77 F78N74-K76 VanDerWaalsContact C-N 3.25Å; N74-K76 PolarHBondContact O-N 3.16Å; N74-S77 PolarHBondContact N-OG 2.98Å; N74-S77 PolarHBondContact O-N 3.38Å; N74-S77 PolarHBondContact O-OG 3.45Å; N74-F78 PolarHBondContact O-N 2.94Å
75N85.4Confident85.9Confident96 Ų9678.3 Ų78.351%0.51342%0.422SS..Hα-helixtrans-57-35.9176.9-167.5-47000112.7S77 F78 T79N75-S77 VanDerWaalsContact C-N 3.32Å; N75-S77 PolarHBondContact O-N 3.47Å; N75-F78 WeakPolarHBondContact O-CB 3.45Å; N75-F78 PolarHBondContact O-N 2.59Å; N75-T79 PolarHBondContact O-N 2.66Å; N75-T79 PolarHBondContact O-OG1 3.32Å; N75-T79 VanDerWaalsContact O-OG1 3.13Å
76K86.2Confident85.8Confident182 Ų18287.4 Ų87.479%0.79146%0.456SS*.Hα-helixtrans-58.6-38.3172.3-70.1-175179.6179.60113.6N74 T79 A80N74-K76 VanDerWaalsContact C-N 3.25Å; N74-K76 PolarHBondContact O-N 3.16Å; K76-T79 WeakPolarHBondContact CA-OG1 3.24Å; K76-T79 PolarHBondContact O-OG1 3.32Å; K76-A80 WeakPolarHBondContact O-CB 3.42Å; K76-A80 PolarHBondContact O-N 3.28Å
77S86.5Confident86.1Confident47 Ų4783.4 Ų83.433%0.32943%0.434SS..Hα-helixtrans-74-32178.565.30000112.1N74 N75 H81N74-S77 PolarHBondContact N-OG 2.98Å; N74-S77 PolarHBondContact O-N 3.38Å; N74-S77 PolarHBondContact O-OG 3.45Å; N75-S77 VanDerWaalsContact C-N 3.32Å; N75-S77 PolarHBondContact O-N 3.47Å; S77-H81 WeakPolarHBondContact O-CB 3.42Å; S77-H81 PolarHBondContact O-N 3.48Å
78F89.8Confident86.3Confident37 Ų3786.9 Ų86.916%0.16245%0.448CS..Hα-helixtrans-68.6-47174.9-175.5-110.7000112.1T63 C65 F72 N74 N75 A80 H81 L82T63-F78 VanDerWaalsContact CB-CG 3.49Å; T63-F78 HydrophobicContact CG2-CD1 4.06Å; T63-F78 HydrophobicContact CG2-CE1 4.39Å; T63-F78 HydrophobicContact CG2-CG 4.27Å; T63-F78 WeakPolarHBondContact OG1-CB 3.31Å; T63-F78 VanDerWaalsContact OG1-CG 3.23Å; T63-F78 WeakPolarHBondContact OG1-CG 3.31Å; C65-F78 HydrophobicContact CB-CE2 3.98Å; F72-F78 HydrophobicContact CB-CB 3.97Å; F72-F78 HydrophobicContact CB-CD2 4.33Å; F72-F78 HydrophobicContact CD2-CB 4.45Å; F72-F78 AromaticContact CD2-CD2 3.53Å; F72-F78 HydrophobicContact CD2-CD2 3.53Å; F72-F78 HydrophobicContact CD2-CE2 4.31Å; F72-F78 HydrophobicContact CD2-CG 4.48Å; F72-F78 HydrophobicContact CE2-CD2 4.13Å; F72-F78 HydrophobicContact CG-CB 4.15Å; F72-F78 HydrophobicContact CG-CD2 4.08Å; N74-F78 PolarHBondContact O-N 2.94Å; N75-F78 WeakPolarHBondContact O-CB 3.45Å; N75-F78 PolarHBondContact O-N 2.59Å; F78-A80 PolarHBondContact O-N 3.32Å; F78-H81 WeakPolarHBondContact O-CA 3.4Å; F78-H81 VanDerWaalsContact O-CB 3.31Å; F78-H81 WeakPolarHBondContact O-CB 3.41Å; F78-H81 PolarHBondContact O-N 2.9Å; F78-L82 HydrophobicContact CD1-CD1 4.07Å; F78-L82 HydrophobicContact CD1-CG 4.45Å; F78-L82 HydrophobicContact CE1-CD1 3.75Å; F78-L82 HydrophobicContact CE1-CD2 4.42Å; F78-L82 HydrophobicContact CE1-CG 4.25Å; F78-L82 HydrophobicContact CE2-CD2 4.45Å; F78-L82 HydrophobicContact CZ-CD1 4.28Å; F78-L82 HydrophobicContact CZ-CD2 4.13Å; F78-L82 HydrophobicContact CZ-CG 4.41Å; F78-L82 WeakPolarHBondContact O-CG 3.39Å; F78-L82 PolarHBondContact O-N 3.2Å
79T87.5Confident86.3Confident65 Ų6591.8 Ų91.840%0.39947%0.47SS..Hα-helixtrans-60.6-42.6176.148.80000112.1N75 K76 H81 L82N75-T79 PolarHBondContact O-N 2.66Å; N75-T79 PolarHBondContact O-OG1 3.32Å; N75-T79 VanDerWaalsContact O-OG1 3.13Å; K76-T79 WeakPolarHBondContact CA-OG1 3.24Å; K76-T79 PolarHBondContact O-OG1 3.32Å; T79-H81 VanDerWaalsContact C-N 3.32Å; T79-H81 PolarHBondContact O-N 2.99Å; T79-L82 PolarHBondContact O-N 2.96Å
80A89.1Confident86.3Confident63 Ų6387.3 Ų87.352%0.52145%0.453SS..Hα-helixtrans-63.2-37172.500000112.7K76 F78 I83 S84K76-A80 WeakPolarHBondContact O-CB 3.42Å; K76-A80 PolarHBondContact O-N 3.28Å; F78-A80 PolarHBondContact O-N 3.32Å; A80-I83 PolarHBondContact O-N 3.22Å; A80-S84 PolarHBondContact O-N 3.36Å
81H90.4Very high86.3Confident19 Ų1983.4 Ų83.49%0.08844%0.439CS..Hα-helixtrans-62.8-44.4175.2168.268000112.5C65 C68 F72 S77 F78 T79 I83 S84 H87C65-H81 WeakPolarHBondContact CB-NE2 3.32Å; C65-H81 PolarHBondContact SG-NE2 3.23Å; C68-H81 PolarHBondContact SG-CE1 2.81Å; F72-H81 HydrophobicContact CD1-CB 4.32Å; F72-H81 HydrophobicContact CE1-CB 3.52Å; F72-H81 AromaticContact CE1-CG 3.81Å; F72-H81 HydrophobicContact CE2-CB 4Å; F72-H81 AromaticContact CE2-CD2 3.38Å; F72-H81 WeakPolarHBondContact CE2-CD2 3.33Å; F72-H81 AromaticContact CE2-CG 3.58Å; F72-H81 AromaticContact CE2-NE2 3.88Å; F72-H81 HydrophobicContact CZ-CB 3.34Å; F72-H81 AromaticContact CZ-CD2 3.41Å; F72-H81 VanDerWaalsContact CZ-CD2 3.41Å; F72-H81 WeakPolarHBondContact CZ-CD2 3.2Å; F72-H81 AromaticContact CZ-CE1 3.89Å; F72-H81 AromaticContact CZ-CG 3.07Å; F72-H81 AromaticContact CZ-ND1 3.43Å; F72-H81 WeakPolarHBondContact CZ-ND1 3.38Å; F72-H81 AromaticContact CZ-NE2 3.91Å; S77-H81 WeakPolarHBondContact O-CB 3.42Å; S77-H81 PolarHBondContact O-N 3.48Å; F78-H81 WeakPolarHBondContact O-CA 3.4Å; F78-H81 VanDerWaalsContact O-CB 3.31Å; F78-H81 WeakPolarHBondContact O-CB 3.41Å; F78-H81 PolarHBondContact O-N 2.9Å; T79-H81 VanDerWaalsContact C-N 3.32Å; T79-H81 PolarHBondContact O-N 2.99Å; H81-I83 PolarHBondContact O-N 2.93Å; H81-S84 VanDerWaalsContact O-CB 3.29Å; H81-S84 WeakPolarHBondContact O-CB 3.44Å; H81-S84 PolarHBondContact O-N 3.46Å; H81-S84 PolarHBondContact O-OG 2.94Å; H81-H87 AromaticContact CD2-ND1 3.78Å; H81-H87 AromaticContact CE1-ND1 3.9Å; H81-H87 AromaticContact NE2-CG 3.92Å; H81-H87 AromaticContact NE2-ND1 3.23Å; H81-H87 PolarHBondContact NE2-ND1 2.7Å; H81-H87 WeakPolarHBondContact O-CB 3.3Å
82L88.1Confident86.1Confident69 Ų6985.3 Ų85.336%0.36144%0.438SS..Hα-helixtrans-59.2-28.3-179.5-66.6177.3000112.9F78 T79 H87F78-L82 HydrophobicContact CD1-CD1 4.07Å; F78-L82 HydrophobicContact CD1-CG 4.45Å; F78-L82 HydrophobicContact CE1-CD1 3.75Å; F78-L82 HydrophobicContact CE1-CD2 4.42Å; F78-L82 HydrophobicContact CE1-CG 4.25Å; F78-L82 HydrophobicContact CE2-CD2 4.45Å; F78-L82 HydrophobicContact CZ-CD1 4.28Å; F78-L82 HydrophobicContact CZ-CD2 4.13Å; F78-L82 HydrophobicContact CZ-CG 4.41Å; F78-L82 WeakPolarHBondContact O-CG 3.39Å; F78-L82 PolarHBondContact O-N 3.2Å; T79-L82 PolarHBondContact O-N 2.96Å; L82-H87 PolarHBondContact O-CD2 3.49Å
83I89.3Confident85.7Confident135 Ų13587.9 Ų87.969%0.69245%0.453SS*.Hα-helixtrans-90.1-12.7179.3-54.2165.7000111.7A80 H81A80-I83 PolarHBondContact O-N 3.22Å; H81-I83 PolarHBondContact O-N 2.93Å
84S89.3Confident85.5Confident39 Ų3988.4 Ų88.427%0.27344%0.442SS..SBendtrans-65.5140.8-176.974.30000112.6A80 H81 R86 H87 I88A80-S84 PolarHBondContact O-N 3.36Å; H81-S84 VanDerWaalsContact O-CB 3.29Å; H81-S84 WeakPolarHBondContact O-CB 3.44Å; H81-S84 PolarHBondContact O-N 3.46Å; H81-S84 PolarHBondContact O-OG 2.94Å; S84-R86 PolarHBondContact O-N 2.91Å; S84-H87 PolarHBondContact O-N 3.28Å; S84-H87 WeakPolarHBondContact OG-CB 3.35Å; S84-H87 PolarHBondContact OG-N 3.14Å; S84-I88 PolarHBondContact O-N 2.96Å; S84-I88 VanDerWaalsContact O-N 3.11Å
85K88.3Confident84.8Confident193 Ų19391.2 Ų91.284%0.83945%0.449SS*.Hα-helixtrans-51.5-35176.9-66.3-176-179.5-178.70112.8H89K85-H89 PolarHBondContact O-N 3.34Å; K85-H89 VanDerWaalsContact O-N 3.11Å
86R86Confident83.7Confident196 Ų19690.2 Ų90.274%0.7445%0.447SS*.Hα-helixtrans-67.1-43.2177-71.6-176.5-178.5162.8-1.8112.5S84 H89 N90S84-R86 PolarHBondContact O-N 2.91Å; R86-H89 PolarHBondContact O-N 3.29Å; R86-N90 WeakPolarHBondContact O-CB 3.47Å; R86-N90 PolarHBondContact O-N 3.48Å
87H88.1Confident82.4Confident23 Ų2388.2 Ų88.211%0.10644%0.438CS..Hα-helixtrans-63.8-44.3176.2175.484.7000111.1C65 H81 L82 S84 H89 N90 S91C65-H87 PolarHBondContact SG-CE1 2.66Å; C65-H87 PolarHBondContact SG-ND1 2.84Å; H81-H87 AromaticContact CD2-ND1 3.78Å; H81-H87 AromaticContact CE1-ND1 3.9Å; H81-H87 AromaticContact NE2-CG 3.92Å; H81-H87 AromaticContact NE2-ND1 3.23Å; H81-H87 PolarHBondContact NE2-ND1 2.7Å; H81-H87 WeakPolarHBondContact O-CB 3.3Å; L82-H87 PolarHBondContact O-CD2 3.49Å; S84-H87 PolarHBondContact O-N 3.28Å; S84-H87 WeakPolarHBondContact OG-CB 3.35Å; S84-H87 PolarHBondContact OG-N 3.14Å; H87-H89 VanDerWaalsContact C-N 3.32Å; H87-H89 PolarHBondContact O-N 3.36Å; H87-N90 PolarHBondContact O-N 2.68Å; H87-S91 VanDerWaalsContact O-CB 3.27Å; H87-S91 WeakPolarHBondContact O-CB 3.24Å; H87-S91 PolarHBondContact O-N 3.24Å; H87-S91 PolarHBondContact O-OG 3.37Å
88I86.9Confident81Confident95 Ų9589 Ų8949%0.48744%0.441SS..Hα-helixtrans-60.5-42.7179.8-60.6167.5000111S84 S91 H92S84-I88 PolarHBondContact O-N 2.96Å; S84-I88 VanDerWaalsContact O-N 3.11Å; I88-S91 PolarHBondContact O-OG 3.09Å; I88-S91 VanDerWaalsContact O-OG 3.05Å; I88-H92 PolarHBondContact O-N 3.39Å; I88-H92 VanDerWaalsContact O-N 3.11Å
89H85.3Confident79.2Confident121 Ų12190.9 Ų90.956%0.5646%0.464SS*.Hα-helixtrans-63.7-48175.2-177.371.9000112.3K85 R86 H87 S91 H92 L93K85-H89 PolarHBondContact O-N 3.34Å; K85-H89 VanDerWaalsContact O-N 3.11Å; R86-H89 PolarHBondContact O-N 3.29Å; H87-H89 VanDerWaalsContact C-N 3.32Å; H87-H89 PolarHBondContact O-N 3.36Å; H89-S91 VanDerWaalsContact C-N 3.35Å; H89-S91 PolarHBondContact O-N 3.29Å; H89-H92 PolarHBondContact O-N 2.86Å; H89-L93 PolarHBondContact O-N 3.08Å
90N83Confident77.5Confident61 Ų6196.1 Ų96.133%0.32648%0.483SS..Hα-helixtrans-67.2-34179.4-72.8-3.6000112.7C68 R86 H87 L93 F94C68-N90 PolarHBondContact SG-ND2 3.42Å; C68-N90 VanDerWaalsContact SG-ND2 3.43Å; R86-N90 WeakPolarHBondContact O-CB 3.47Å; R86-N90 PolarHBondContact O-N 3.48Å; H87-N90 PolarHBondContact O-N 2.68Å; N90-L93 PolarHBondContact O-N 2.75Å; N90-F94 WeakPolarHBondContact O-CB 3.23Å; N90-F94 PolarHBondContact O-N 2.99Å
91S82.3Confident75.4Confident26 Ų2698.1 Ų98.118%0.18249%0.489CS..Hα-helixtrans-71.2-32.6177.672.80000111.8H87 I88 H89 F94 K95H87-S91 VanDerWaalsContact O-CB 3.27Å; H87-S91 WeakPolarHBondContact O-CB 3.24Å; H87-S91 PolarHBondContact O-N 3.24Å; H87-S91 PolarHBondContact O-OG 3.37Å; I88-S91 PolarHBondContact O-OG 3.09Å; I88-S91 VanDerWaalsContact O-OG 3.05Å; H89-S91 VanDerWaalsContact C-N 3.35Å; H89-S91 PolarHBondContact O-N 3.29Å; S91-F94 PolarHBondContact O-N 2.91Å; S91-K95 WeakPolarHBondContact O-CB 3.46Å; S91-K95 WeakPolarHBondContact O-CG 3.41Å; S91-K95 PolarHBondContact O-N 3.17Å
92H81Confident73.1Confident129 Ų129103.1 Ų103.160%0.59752%0.521SS*.Hα-helixtrans-63.2-45.1170-167.4-85.4000111.4I88 H89 F94 K95 T96I88-H92 PolarHBondContact O-N 3.39Å; I88-H92 VanDerWaalsContact O-N 3.11Å; H89-H92 PolarHBondContact O-N 2.86Å; H92-F94 VanDerWaalsContact C-N 3.27Å; H92-F94 PolarHBondContact O-N 3.3Å; H92-K95 PolarHBondContact O-N 3.49Å; H92-T96 PolarHBondContact O-N 2.87Å
93L75.8Confident70.9Confident87 Ų87106.9 Ų106.946%0.45554%0.54SS..Hα-helixtrans-65.3-29174.1-67.6172000113.2H89 N90 T96 K97H89-L93 PolarHBondContact O-N 3.08Å; N90-L93 PolarHBondContact O-N 2.75Å; L93-T96 PolarHBondContact O-OG1 2.92Å; L93-K97 WeakPolarHBondContact O-CG 3.35Å
94F72.9Confident68.5Low84 Ų84105.6 Ų105.637%0.36854%0.543SS..Hα-helixtrans-75.9-40.8176.5-167.4-96.8000111.5N66 A67 N90 S91 H92 T96 K97 T98N66-F94 HydrophobicContact CB-CZ 4.33Å; A67-F94 HydrophobicContact CB-CB 4.08Å; A67-F94 HydrophobicContact CB-CG 4.22Å; N90-F94 WeakPolarHBondContact O-CB 3.23Å; N90-F94 PolarHBondContact O-N 2.99Å; S91-F94 PolarHBondContact O-N 2.91Å; H92-F94 VanDerWaalsContact C-N 3.27Å; H92-F94 PolarHBondContact O-N 3.3Å; F94-T96 PolarHBondContact O-N 3.24Å; F94-K97 WeakPolarHBondContact O-CB 3.39Å; F94-K97 PolarHBondContact O-N 3.14Å; F94-K97 VanDerWaalsContact O-N 3.13Å; F94-T98 HydrophobicContact CD1-CG2 4.02Å; F94-T98 HydrophobicContact CE1-CG2 3.57Å; F94-T98 HydrophobicContact CZ-CG2 4.05Å; F94-T98 PolarHBondContact O-N 3.44Å; F94-T98 PolarHBondContact O-OG1 2.9Å
95K69.4Low65.8Low148 Ų148109.6 Ų109.664%0.64357%0.571SS**Hα-helixtrans-62.4-39.1178.4-79.8-179179.2-176.70112.9S91 H92 K97 T98 A99S91-K95 WeakPolarHBondContact O-CB 3.46Å; S91-K95 WeakPolarHBondContact O-CG 3.41Å; S91-K95 PolarHBondContact O-N 3.17Å; H92-K95 PolarHBondContact O-N 3.49Å; K95-K97 VanDerWaalsContact C-N 3.26Å; K95-K97 PolarHBondContact O-N 3.31Å; K95-T98 WeakPolarHBondContact CA-OG1 3.44Å; K95-T98 PolarHBondContact O-N 3.38Å; K95-T98 PolarHBondContact O-OG1 2.93Å; K95-A99 PolarHBondContact O-N 3.17Å; K95-A99 VanDerWaalsContact O-N 3.17Å
96T63.1Low63.4Low75 Ų75106.4 Ų106.446%0.4657%0.568SS.*Hα-helixtrans-64.9-32.6175.554.20000112.1H92 L93 F94H92-T96 PolarHBondContact O-N 2.87Å; L93-T96 PolarHBondContact O-OG1 2.92Å; F94-T96 PolarHBondContact O-N 3.24Å
97K58.7Low61.1Low140 Ų140106.9 Ų106.961%0.60958%0.575SS**Hα-helixtrans-73.9-40.7175.6-71.4-178.9176.5-172.20112.9L93 F94 K95 Q100 T101L93-K97 WeakPolarHBondContact O-CG 3.35Å; F94-K97 WeakPolarHBondContact O-CB 3.39Å; F94-K97 PolarHBondContact O-N 3.14Å; F94-K97 VanDerWaalsContact O-N 3.13Å; K95-K97 VanDerWaalsContact C-N 3.26Å; K95-K97 PolarHBondContact O-N 3.31Å; K97-Q100 PolarHBondContact O-N 2.78Å; K97-T101 PolarHBondContact O-OG1 3.48Å
98T56.3Low58.6Low63 Ų63111.6 Ų111.639%0.38761%0.608SS.*Hα-helixtrans-72.6-27-179.543.70000114.2F94 K95 Q100 T101F94-T98 HydrophobicContact CD1-CG2 4.02Å; F94-T98 HydrophobicContact CE1-CG2 3.57Å; F94-T98 HydrophobicContact CZ-CG2 4.05Å; F94-T98 PolarHBondContact O-N 3.44Å; F94-T98 PolarHBondContact O-OG1 2.9Å; K95-T98 WeakPolarHBondContact CA-OG1 3.44Å; K95-T98 PolarHBondContact O-N 3.38Å; K95-T98 PolarHBondContact O-OG1 2.93Å; T98-Q100 PolarHBondContact O-N 3.43Å; T98-T101 WeakPolarHBondContact CA-OG1 3.36Å; T98-T101 PolarHBondContact O-N 3.46Å; T98-T101 PolarHBondContact O-OG1 3.31Å
99A51.7Low55.9Low78 Ų78111.9 Ų111.965%0.64562%0.624SS**THydrogen-bonded Turntrans-69.6-17.6176.600000113.3K95K95-A99 PolarHBondContact O-N 3.17Å; K95-A99 VanDerWaalsContact O-N 3.17Å
100Q52.8Low53.3Low174 Ų174109.9 Ų109.981%0.81364%0.636SS**THydrogen-bonded Turntrans-94.8-6.2175.6-69.4178.1-12.100113.3K97 T98K97-Q100 PolarHBondContact O-N 2.78Å; T98-Q100 PolarHBondContact O-N 3.43Å
101T44.3Very low51Low105 Ų105116 Ų11664%0.64466%0.663SS**  trans-116.728.7-170.4240000114.2K97 T98 I103K97-T101 PolarHBondContact O-OG1 3.48Å; T98-T101 WeakPolarHBondContact CA-OG1 3.36Å; T98-T101 PolarHBondContact O-N 3.46Å; T98-T101 PolarHBondContact O-OG1 3.31Å; T101-I103 PolarHBondContact O-N 3.29Å
102V41.8Very low48.9Very low124 Ų124122 Ų12275%0.75269%0.693SS**  trans-86.927.6177-155.60000112.5
103I43.5Very low47Very low149 Ų149120.8 Ų120.876%0.76470%0.698SS**SBendtrans-128.7106.5174.1-55.2179.2000108.2T101T101-I103 PolarHBondContact O-N 3.29Å
104S37.8Very low46.1Very low108 Ų108124.1 Ų124.176%0.75572%0.716SS**  trans72.492155.4-54.70000119.2
105S33.6Very low45.8Very low123 Ų123121.9 Ų121.986%0.8671%0.709SS**  trans-88.5110.6148.5-73.50000109.8
106T37.2Very low46.2Very low125 Ų125122.4 Ų122.477%0.76771%0.714SS**  trans-162110.3152.843.10000111
107K37.8Very low47.3Very low206 Ų206121.8 Ų121.890%0.89671%0.711SS**  trans70.4152144.9-73.2-176.1176.4-177.10120.5
108P35.8Very low48.5Very low122 Ų122116 Ų11679%0.79269%0.687SS**  trans-97.4142.7-157.437-28.4000112.3
109A30Very low50Low101 Ų101116.2 Ų116.284%0.83569%0.689SS**  trans-170.4142.3165.100000108.6
110G29.7Very low51.3Low79 Ų79113.7 Ų113.781%0.81466%0.664SS**  trans-61.2141.5-178.100000113.6
111E35.4Very low52.9Low189 Ų189105.5 Ų105.588%0.88363%0.627SS**  trans-156.9105.2163.4-113.7166.1-174.300108.2C113E111-C113 PolarHBondContact O-N 2.73Å
112N37.7Very low55.1Low152 Ų152101.2 Ų101.281%0.81360%0.601SS**  trans-2.899164.9-56.6-28.3000116.9L114N112-L114 PolarHBondContact O-N 3Å
113C42.5Very low57.5Low105 Ų10595.4 Ų95.471%0.70957%0.566SS**  trans-76.7111.9153.9-159.30000106.7E111 T115E111-C113 PolarHBondContact O-N 2.73Å; C113-T115 PolarHBondContact O-N 3.5Å
114L56.2Low59.8Low156 Ų15688.4 Ų88.482%0.81753%0.53SS*.  trans-65.375.8-177.4-65.9168.4000111.3N112N112-L114 PolarHBondContact O-N 3Å
115T67.3Low62.3Low37 Ų3783.4 Ų83.423%0.22750%0.495CS..PPolyproline II helixtrans-92.4117.3167.5510000108.1C113 E186C113-T115 PolarHBondContact O-N 3.5Å; T115-E186 WeakPolarHBondContact OG1-CA 3.4Å; T115-E186 PolarHBondContact OG1-O 3.02Å; T115-E186 VanDerWaalsContact OG1-O 3.08Å
116E77.4Confident65Low159 Ų15978.9 Ų78.974%0.74346%0.463SS*.PPolyproline II helixtrans-81.3146.5178.8-67.6173.4-178.500111.3G185E116-G185 CarbonylContact O-C 3.56Å
117P84.8Confident67.4Low62 Ų6279.7 Ų79.740%0.40346%0.462SS..PPolyproline II helixtrans-66.1150.117227.3-30.5000110E186P117-E186 HydrophobicContact CB-CG 3.88Å; P117-E186 WeakPolarHBondContact CB-OE1 3.49Å; P117-E186 WeakPolarHBondContact CD-OE1 3.48Å; P117-E186 HydrophobicContact CG-CG 4.46Å; P117-E186 WeakPolarHBondContact CG-OE1 3.49Å
118L85.8Confident69.8Low20 Ų2077.9 Ų77.911%0.10545%0.45CS..PPolyproline II helixtrans-64.6126.6173.3-83.6152.3000109.5S122 L124 G181 V184L118-S122 WeakPolarHBondContact CB-OG 3.43Å; L118-S122 WeakPolarHBondContact CD2-OG 3.37Å; L118-L124 HydrophobicContact CD1-CD2 4.11Å; L118-G181 PolarHBondContact N-O 2.88Å; L118-V184 HydrophobicContact CD1-CB 3.77Å; L118-V184 HydrophobicContact CD1-CG1 3.71Å
119P86.5Confident72.3Confident66 Ų6677.4 Ų77.443%0.42943%0.433SS..PPolyproline II helixtrans-66.3148.3-178.227-34.5000110.8G121 S122 Y129P119-G121 PolarHBondContact O-N 3.35Å; P119-G121 VanDerWaalsContact O-N 3.16Å; P119-S122 WeakPolarHBondContact O-CB 3.34Å; P119-S122 PolarHBondContact O-N 3.29Å; P119-S122 PolarHBondContact O-OG 2.94Å; P119-Y129 HydrophobicContact CB-CE2 4.16Å; P119-Y129 HydrophobicContact CG-CD2 4.35Å; P119-Y129 HydrophobicContact CG-CE2 3.88Å
120L79.4Confident75.1Confident25 Ų2574.6 Ų74.613%0.13140%0.404CS..THydrogen-bonded Turntrans-51.9121.1168.1-74.8173.4000109.5Y129 N137 L148 L177 I178L120-Y129 PolarHBondContact O-OH 3.07Å; L120-N137 PolarHBondContact O-ND2 3.17Å; L120-N137 PolarHBondContact O-OD1 3.49Å; L120-L148 HydrophobicContact CB-CD2 4.41Å; L120-L177 HydrophobicContact CD2-CB 4.29Å; L120-I178 HydrophobicContact CD1-CD1 3.87Å; L120-I178 HydrophobicContact CD1-CG1 3.88Å; L120-I178 HydrophobicContact CD2-CD1 4.19Å; L120-I178 HydrophobicContact CD2-CG1 3.36Å; L120-I178 HydrophobicContact CG-CD1 4.27Å; L120-I178 HydrophobicContact CG-CG1 3.7Å
121G86.1Confident77.4Confident2 Ų273.9 Ų73.92%0.02139%0.386CS..THydrogen-bonded Turntrans114-22.9-174.500000113.9P119 I130P119-G121 PolarHBondContact O-N 3.35Å; P119-G121 VanDerWaalsContact O-N 3.16Å; G121-I130 VanDerWaalsContact CA-O 3.25Å; G121-I130 WeakPolarHBondContact CA-O 3.43Å; G121-I130 PolarHBondContact O-N 2.86Å
122S90.1Very high79Confident16 Ų1665.8 Ų65.811%0.11235%0.349CS..BIsolated β-bridgetrans-76.6144.1176.763.60000112.2L118 P119L118-S122 WeakPolarHBondContact CB-OG 3.43Å; L118-S122 WeakPolarHBondContact CD2-OG 3.37Å; P119-S122 WeakPolarHBondContact O-CB 3.34Å; P119-S122 PolarHBondContact O-N 3.29Å; P119-S122 PolarHBondContact O-OG 2.94Å
123C93.1Very high80.2Confident1 Ų164.6 Ų64.61%0.00734%0.343CS..  trans-76.6136.6169.1-173.40000110.3F125 C126 R128 H160 R216C123-F125 PolarHBondContact O-N 3.39Å; C123-F125 PolarHBondContact SG-N 3.32Å; C123-C126 VanDerWaalsContact CB-SG 3.52Å; C123-C126 VanDerWaalsContact O-O 3.11Å; C123-R128 PolarHBondContact N-O 2.82Å; C123-H160 PolarHBondContact SG-CD2 3.49Å; C123-H160 PolarHBondContact SG-NE2 2.98Å; C123-H160 VanDerWaalsContact SG-NE2 3.38Å; C123-R216 PolarHBondContact O-NH2 2.97Å
124L90.9Very high80.9Confident3 Ų370.5 Ų70.52%0.01635%0.351CS..SBendtrans-65.5-27.5175.9-55.8-179.1000112.3L118 M156 L180 L191 R216L118-L124 HydrophobicContact CD1-CD2 4.11Å; L124-M156 HydrophobicContact CB-CE 3.73Å; L124-M156 HydrophobicContact CD1-CE 3.44Å; L124-M156 VanDerWaalsContact CD1-CE 3.44Å; L124-M156 HydrophobicContact CG-CE 3.46Å; L124-M156 VanDerWaalsContact CG-CE 3.46Å; L124-M156 HydrophobicContact CG-SD 4.32Å; L124-L180 HydrophobicContact CD1-CB 3.81Å; L124-L180 HydrophobicContact CD1-CD1 4.25Å; L124-L191 HydrophobicContact CD1-CD1 3.86Å; L124-R216 VanDerWaalsContact O-CG 3.32Å; L124-R216 WeakPolarHBondContact O-CG 3.45Å; L124-R216 PolarHBondContact O-NE 2.82Å; L124-R216 VanDerWaalsContact O-NE 3.14Å
125F91.7Very high80.8Confident3 Ų367.7 Ų67.71%0.01334%0.337CS..SBendtrans-105.4-22.9-170.3-58-78.8000114.7C123 M156 H160 F162 M219 L220 K226C123-F125 PolarHBondContact O-N 3.39Å; C123-F125 PolarHBondContact SG-N 3.32Å; F125-M156 HydrophobicContact CD2-CE 3.88Å; F125-M156 HydrophobicContact CE2-CE 3.52Å; F125-H160 HydrophobicContact CB-CB 4.36Å; F125-H160 HydrophobicContact CD2-CB 3.82Å; F125-H160 AromaticContact CD2-CD2 3.85Å; F125-H160 AromaticContact CD2-CG 3.85Å; F125-H160 HydrophobicContact CE2-CB 4.37Å; F125-H160 HydrophobicContact CG-CB 4.13Å; F125-H160 AromaticContact CG-CG 3.92Å; F125-F162 HydrophobicContact CD2-CB 4.47Å; F125-F162 HydrophobicContact CE2-CB 3.58Å; F125-F162 HydrophobicContact CE2-CD1 4.29Å; F125-F162 AromaticContact CE2-CD2 3.61Å; F125-F162 HydrophobicContact CE2-CD2 3.61Å; F125-F162 HydrophobicContact CE2-CE2 4.31Å; F125-F162 AromaticContact CE2-CG 3.57Å; F125-F162 HydrophobicContact CE2-CG 3.57Å; F125-F162 HydrophobicContact CZ-CB 4.11Å; F125-F162 AromaticContact CZ-CD2 3.47Å; F125-F162 HydrophobicContact CZ-CD2 3.47Å; F125-F162 VanDerWaalsContact CZ-CD2 3.47Å; F125-F162 HydrophobicContact CZ-CE2 4.06Å; F125-F162 AromaticContact CZ-CG 3.95Å; F125-F162 HydrophobicContact CZ-CG 3.95Å; F125-M219 HydrophobicContact CD1-CB 4Å; F125-M219 HydrophobicContact CD1-CE 4.27Å; F125-M219 HydrophobicContact CD1-SD 4.32Å; F125-M219 HydrophobicContact CE1-CB 3.92Å; F125-M219 HydrophobicContact CE1-CE 3.41Å; F125-M219 VanDerWaalsContact CE1-CE 3.41Å; F125-M219 HydrophobicContact CE1-SD 4.02Å; F125-M219 HydrophobicContact CZ-CE 3.92Å; F125-L220 HydrophobicContact CB-CD2 4.21Å; F125-L220 HydrophobicContact CD1-CD2 4.43Å; F125-K226 HydrophobicContact CE1-CB 4.35Å; F125-K226 HydrophobicContact CE1-CG 4.41Å; F125-K226 HydrophobicContact CZ-CB 4.5Å
126C90.3Very high80.4Confident28 Ų2870.2 Ų70.219%0.18935%0.353CS..SBendtrans-137.4172.8-178720000112.5C123 R128 H155 H160 R216C123-C126 VanDerWaalsContact CB-SG 3.52Å; C123-C126 VanDerWaalsContact O-O 3.11Å; C126-R128 PolarHBondContact O-N 3.42Å; C126-H155 PolarHBondContact SG-NE2 3.01Å; C126-H160 PolarHBondContact SG-NE2 3.42Å; C126-R216 PolarHBondContact O-NH2 3.27Å; C126-R216 VanDerWaalsContact O-NH2 3.17Å
127D87.6Confident79.6Confident141 Ų14164.1 Ų64.175%0.75433%0.326SS*.SBendtrans-80.410.4-177.7-61.6-38.6000114.2R216D127-R216 IonicContact OD1-CZ 2.7Å; D127-R216 IonicContact OD1-NH1 3.01Å; D127-R216 PolarHBondContact OD1-NH1 3.01Å
128R88.5Confident78.5Confident169 Ų16970.2 Ų70.264%0.63835%0.349SS*.  trans-73.9134.3177-72.5179175.6-142.24.8110.6C123 C126 H155C123-R128 PolarHBondContact N-O 2.82Å; C126-R128 PolarHBondContact O-N 3.42Å; R128-H155 WeakPolarHBondContact CD-CE1 3.47Å; R128-H155 WeakPolarHBondContact CD-NE2 3.44Å
129Y88.2Confident77.5Confident112 Ų11272.5 Ų72.544%0.43937%0.367SS..BIsolated β-bridgetrans-120.7125.6173.6-176.4-104.4000109.3P119 L120 N137P119-Y129 HydrophobicContact CB-CE2 4.16Å; P119-Y129 HydrophobicContact CG-CD2 4.35Å; P119-Y129 HydrophobicContact CG-CE2 3.88Å; L120-Y129 PolarHBondContact O-OH 3.07Å; Y129-N137 PolarHBondContact OH-ND2 3.44Å; Y129-N137 PolarHBondContact OH-OD1 3.22Å
130I87.2Confident76.6Confident42 Ų4270.3 Ų70.322%0.21535%0.351CS..  trans-105.9110.4178.8-55.3-179.3000107.5G121 R151 V152 H155G121-I130 VanDerWaalsContact CA-O 3.25Å; G121-I130 WeakPolarHBondContact CA-O 3.43Å; G121-I130 PolarHBondContact O-N 2.86Å; I130-R151 HydrophobicContact CG2-CB 4.35Å; I130-V152 HydrophobicContact CB-CG2 4.18Å; I130-V152 HydrophobicContact CD1-CG2 4.2Å; I130-H155 HydrophobicContact CD1-CB 3.67Å
131S78.6Confident76.6Confident64 Ų6473.6 Ų73.645%0.44837%0.369SS..  trans-102.7144.3174.755.60000111.4
132L68.7Low76.5Confident19 Ų1978.3 Ų78.310%0.09940%0.402CS..SBendtrans-95122.4158.3-122.976000108.3Y134 L140 L148L132-Y134 PolarHBondContact O-N 3.44Å; L132-Y134 VanDerWaalsContact O-N 3.08Å; L132-L140 HydrophobicContact CB-CD2 4.32Å; L132-L148 HydrophobicContact CB-CD1 4.4Å
133D62.9Low76.2Confident127 Ų12780.5 Ų80.568%0.67942%0.421SS*.THydrogen-bonded Turntrans54.131.2159.3-51.8-28.4000118.9L135D133-L135 PolarHBondContact O-N 3.44Å
134Y56.8Low75.8Confident229 Ų22984.9 Ų84.990%0.89844%0.44SS*.THydrogen-bonded Turntrans58.915174-69.3-89.6000116L132L132-Y134 PolarHBondContact O-N 3.44Å; L132-Y134 VanDerWaalsContact O-N 3.08Å
135L55.1Low75.7Confident97 Ų9787.4 Ų87.451%0.50845%0.452SS..  trans-92.5142.1177.6-83.5135.2000111.7D133D133-L135 PolarHBondContact O-N 3.44Å
136P59.7Low75.5Confident89 Ų8988.5 Ų88.558%0.57846%0.459SS*.  trans-60.9138.4173.8-16.228.7000110.7E138 S139 L140P136-E138 PolarHBondContact O-N 3.04Å; P136-S139 PolarHBondContact O-N 3.2Å; P136-S139 PolarHBondContact O-OG 3.26Å; P136-L140 WeakPolarHBondContact O-CD1 3.26Å
137N60.4Low75.4Confident32 Ų3290.9 Ų90.917%0.17147%0.47CS..G310 helixtrans-54.5-23.7-174.8-70.3-24.2000114.8L120 Y129 S139L120-N137 PolarHBondContact O-ND2 3.17Å; L120-N137 PolarHBondContact O-OD1 3.49Å; Y129-N137 PolarHBondContact OH-ND2 3.44Å; Y129-N137 PolarHBondContact OH-OD1 3.22Å; N137-S139 VanDerWaalsContact C-N 3.29Å; N137-S139 PolarHBondContact O-N 2.78Å
138E60.8Low75.6Confident190 Ų19084.3 Ų84.389%0.88844%0.435SS*.G310 helixtrans-72.2-17.7-179.7-60.2-177.116900113.7P136P136-E138 PolarHBondContact O-N 3.04Å
139S64.4Low75.7Confident68 Ų6876.3 Ų76.348%0.47641%0.405SS..G310 helixtrans-107.211.7-176.774.80000114.3P136 N137P136-S139 PolarHBondContact O-N 3.2Å; P136-S139 PolarHBondContact O-OG 3.26Å; N137-S139 VanDerWaalsContact C-N 3.29Å; N137-S139 PolarHBondContact O-N 2.78Å
140L67.5Low75.9Confident19 Ų1976.1 Ų76.110%0.09941%0.406CS..  trans-91.4133.1179.6-75.3106.5000111.5L132 P136 K144 Q145L132-L140 HydrophobicContact CB-CD2 4.32Å; P136-L140 WeakPolarHBondContact O-CD1 3.26Å; L140-K144 HydrophobicContact CB-CB 4.21Å; L140-K144 HydrophobicContact CD2-CB 3.68Å; L140-K144 HydrophobicContact CD2-CD 4.18Å; L140-K144 HydrophobicContact CG-CB 4.49Å; L140-Q145 HydrophobicContact CB-CG 3.92Å; L140-Q145 PolarHBondContact O-NE2 2.81Å
141D81.1Confident76.1Confident95 Ų9580.9 Ų80.951%0.50842%0.422SS..  trans-55.3149170.3-50.7-55.5000110.6A143 K144 Q145D141-A143 PolarHBondContact O-N 3.01Å; D141-A143 VanDerWaalsContact O-N 3.09Å; D141-K144 HydrophobicContact CB-CD 4.46Å; D141-K144 HydrophobicContact CB-CG 4.46Å; D141-K144 PolarHBondContact O-N 2.79Å; D141-K144 WeakPolarHBondContact OD2-CE 3.47Å; D141-K144 IonicContact OD2-NZ 3.87Å; D141-K144 PolarHBondContact OD2-NZ 3.04Å; D141-Q145 PolarHBondContact O-N 3.08Å
142S82.2Confident76.8Confident100 Ų10077.9 Ų77.970%0.69940%0.401SS*.Hα-helixtrans-52.3-36.1179.456.50000113.2Q145 S146S142-Q145 PolarHBondContact O-N 3.41Å; S142-S146 PolarHBondContact O-N 3.27Å
143A84.3Confident77.9Confident62 Ų6278.5 Ų78.551%0.51240%0.404SS..Hα-helixtrans-62.6-44174.900000112.6D141 S146 D147D141-A143 PolarHBondContact O-N 3.01Å; D141-A143 VanDerWaalsContact O-N 3.09Å; A143-S146 PolarHBondContact O-N 3.09Å; A143-D147 PolarHBondContact O-N 2.79Å
144K85.8Confident79.3Confident93 Ų9375.6 Ų75.640%0.40439%0.393SS..Hα-helixtrans-70.8-34.9179.1-64.5174.9179.7147.20111.7L140 D141 D147 L148L140-K144 HydrophobicContact CB-CB 4.21Å; L140-K144 HydrophobicContact CD2-CB 3.68Å; L140-K144 HydrophobicContact CD2-CD 4.18Å; L140-K144 HydrophobicContact CG-CB 4.49Å; D141-K144 HydrophobicContact CB-CD 4.46Å; D141-K144 HydrophobicContact CB-CG 4.46Å; D141-K144 PolarHBondContact O-N 2.79Å; D141-K144 WeakPolarHBondContact OD2-CE 3.47Å; D141-K144 IonicContact OD2-NZ 3.87Å; D141-K144 PolarHBondContact OD2-NZ 3.04Å; K144-D147 PolarHBondContact O-N 2.77Å; K144-L148 WeakPolarHBondContact O-CB 3.29Å; K144-L148 PolarHBondContact O-N 3.04Å
145Q87.3Confident81.1Confident57 Ų5765.9 Ų65.927%0.26636%0.356SS..Hα-helixtrans-62-43.7172.9-68.6-179.5-13.200111.2L140 D141 S142 D147 L148 A149 A174L140-Q145 HydrophobicContact CB-CG 3.92Å; L140-Q145 PolarHBondContact O-NE2 2.81Å; D141-Q145 PolarHBondContact O-N 3.08Å; S142-Q145 PolarHBondContact O-N 3.41Å; Q145-D147 PolarHBondContact O-N 2.77Å; Q145-L148 PolarHBondContact O-N 3Å; Q145-A149 VanDerWaalsContact O-CB 3.31Å; Q145-A149 WeakPolarHBondContact O-CB 3.09Å; Q145-A149 PolarHBondContact O-N 3.21Å; Q145-A174 HydrophobicContact CB-CB 4.05Å
146S88.3Confident83Confident25 Ų2561.2 Ų61.218%0.17533%0.332CS..Hα-helixtrans-61.5-42.7175.1-171.30000112.2S142 A143 A149 K150 P173S142-S146 PolarHBondContact O-N 3.27Å; A143-S146 PolarHBondContact O-N 3.09Å; S146-A149 WeakPolarHBondContact O-CB 3.45Å; S146-A149 PolarHBondContact O-N 3.27Å; S146-K150 WeakPolarHBondContact O-CG 3.42Å; S146-K150 PolarHBondContact O-N 2.88Å; S146-P173 WeakPolarHBondContact OG-CG 3.42Å
147D89.1Confident84.6Confident78 Ų7862.7 Ų62.742%0.41733%0.329SS..Hα-helixtrans-68.1-39.4178.4-74-16.5000112.8A143 K144 Q145 K150 R151A143-D147 PolarHBondContact O-N 2.79Å; K144-D147 PolarHBondContact O-N 2.77Å; Q145-D147 PolarHBondContact O-N 2.77Å; D147-K150 PolarHBondContact O-N 3.4Å; D147-K150 IonicContact OD1-NZ 2.77Å; D147-R151 WeakPolarHBondContact O-CG 3.26Å; D147-R151 PolarHBondContact O-N 3.15Å
148L90.1Very high86.2Confident4 Ų467.3 Ų67.32%0.02135%0.354CS..Hα-helixtrans-61.8-45.9171.9-178.2156.6000110.5L120 L132 K144 Q145 K150 R151 V152L120-L148 HydrophobicContact CB-CD2 4.41Å; L132-L148 HydrophobicContact CB-CD1 4.4Å; K144-L148 WeakPolarHBondContact O-CB 3.29Å; K144-L148 PolarHBondContact O-N 3.04Å; Q145-L148 PolarHBondContact O-N 3Å; L148-K150 VanDerWaalsContact C-N 3.34Å; L148-K150 PolarHBondContact O-N 2.97Å; L148-R151 WeakPolarHBondContact O-CB 3.29Å; L148-R151 PolarHBondContact O-N 3.44Å; L148-R151 VanDerWaalsContact O-N 3.12Å; L148-V152 HydrophobicContact CD2-CG2 3.97Å; L148-V152 WeakPolarHBondContact O-CG2 3.46Å; L148-V152 PolarHBondContact O-N 3.23Å
149A91.7Very high87.7Confident0 Ų060.9 Ų60.90%033%0.333CS..Hα-helixtrans-58.3-44177.700000112.1Q145 S146 R151 V152 L153 P173 A174 L177Q145-A149 VanDerWaalsContact O-CB 3.31Å; Q145-A149 WeakPolarHBondContact O-CB 3.09Å; Q145-A149 PolarHBondContact O-N 3.21Å; S146-A149 WeakPolarHBondContact O-CB 3.45Å; S146-A149 PolarHBondContact O-N 3.27Å; A149-R151 VanDerWaalsContact C-N 3.33Å; A149-R151 PolarHBondContact O-N 3.04Å; A149-V152 PolarHBondContact O-N 2.92Å; A149-L153 WeakPolarHBondContact O-CG 3.44Å; A149-L153 PolarHBondContact O-N 3.49Å; A149-P173 HydrophobicContact CB-CB 4.08Å; A149-P173 HydrophobicContact CB-CG 4.29Å; A149-A174 HydrophobicContact CB-CB 4.16Å; A149-L177 HydrophobicContact CB-CD1 3.76Å
150K91.5Very high89.1Confident108 Ų10858.8 Ų58.847%0.4732%0.316SS..Hα-helixtrans-59.7-39.7175.1-71.5168-170.5165.20112.7S146 D147 L148 S154S146-K150 WeakPolarHBondContact O-CG 3.42Å; S146-K150 PolarHBondContact O-N 2.88Å; D147-K150 PolarHBondContact O-N 3.4Å; D147-K150 IonicContact OD1-NZ 2.77Å; L148-K150 VanDerWaalsContact C-N 3.34Å; L148-K150 PolarHBondContact O-N 2.97Å; K150-S154 WeakPolarHBondContact O-CB 3.42Å; K150-S154 PolarHBondContact O-N 3.49Å; K150-S154 PolarHBondContact O-OG 3.49Å
151R92Very high90.2Very high142 Ų14266.7 Ų66.754%0.53635%0.35SS..Hα-helixtrans-66.6-41176.3-68.3177.9-172.6-164.55.1111.8I130 D147 L148 A149 S154 H155I130-R151 HydrophobicContact CG2-CB 4.35Å; D147-R151 WeakPolarHBondContact O-CG 3.26Å; D147-R151 PolarHBondContact O-N 3.15Å; L148-R151 WeakPolarHBondContact O-CB 3.29Å; L148-R151 PolarHBondContact O-N 3.44Å; L148-R151 VanDerWaalsContact O-N 3.12Å; A149-R151 VanDerWaalsContact C-N 3.33Å; A149-R151 PolarHBondContact O-N 3.04Å; R151-S154 PolarHBondContact O-N 3.04Å; R151-H155 PolarHBondContact O-N 3.31Å
152V92.6Very high90.7Very high1 Ų162.3 Ų62.31%0.00633%0.326CS..Hα-helixtrans-63-47.51751760000111I130 L148 A149 S154 H155 M156 L177I130-V152 HydrophobicContact CB-CG2 4.18Å; I130-V152 HydrophobicContact CD1-CG2 4.2Å; L148-V152 HydrophobicContact CD2-CG2 3.97Å; L148-V152 WeakPolarHBondContact O-CG2 3.46Å; L148-V152 PolarHBondContact O-N 3.23Å; A149-V152 PolarHBondContact O-N 2.92Å; V152-S154 VanDerWaalsContact C-N 3.32Å; V152-S154 PolarHBondContact O-N 3.08Å; V152-H155 WeakPolarHBondContact O-CB 3.41Å; V152-H155 PolarHBondContact O-N 3.16Å; V152-M156 HydrophobicContact CG1-CG 4.4Å; V152-M156 HydrophobicContact CG1-SD 3.78Å; V152-M156 VanDerWaalsContact O-CG 3.27Å; V152-M156 WeakPolarHBondContact O-CG 3.21Å; V152-M156 PolarHBondContact O-N 2.95Å; V152-L177 HydrophobicContact CB-CD1 3.96Å; V152-L177 HydrophobicContact CG1-CD1 3.94Å
153L92.6Very high91Very high33 Ų3360.9 Ų60.917%0.17332%0.316CS..Hα-helixtrans-60.4-40.7176.2-71.5173.8000112.2A149 H155 M156 F157 F162 V164 P173 L177A149-L153 WeakPolarHBondContact O-CG 3.44Å; A149-L153 PolarHBondContact O-N 3.49Å; L153-H155 PolarHBondContact O-N 3.49Å; L153-M156 PolarHBondContact O-N 3.17Å; L153-F157 WeakPolarHBondContact O-CB 3.4Å; L153-F157 PolarHBondContact O-N 2.8Å; L153-F162 HydrophobicContact CD2-CE1 4.36Å; L153-V164 HydrophobicContact CD2-CG2 3.75Å; L153-P173 HydrophobicContact CD1-CB 4.13Å; L153-L177 HydrophobicContact CD2-CD2 3.85Å; L153-L177 HydrophobicContact CD2-CG 4.35Å; L153-L177 HydrophobicContact CG-CD1 4.22Å; L153-L177 HydrophobicContact CG-CD2 4.43Å; L153-L177 HydrophobicContact CG-CG 4.49Å
154S93.3Very high91.2Very high65 Ų6558.5 Ų58.546%0.45530%0.295SS..Hα-helixtrans-61.9-44.5175.9-56.90000111.4K150 R151 V152 M156 F157 D158K150-S154 WeakPolarHBondContact O-CB 3.42Å; K150-S154 PolarHBondContact O-N 3.49Å; K150-S154 PolarHBondContact O-OG 3.49Å; R151-S154 PolarHBondContact O-N 3.04Å; V152-S154 VanDerWaalsContact C-N 3.32Å; V152-S154 PolarHBondContact O-N 3.08Å; S154-M156 PolarHBondContact O-N 3.12Å; S154-F157 PolarHBondContact O-N 3.4Å; S154-D158 PolarHBondContact O-N 2.82Å
155H94.2Very high91.1Very high25 Ų2554.9 Ų54.912%0.11628%0.281CS..Hα-helixtrans-60.8-43174169.953.2000112.5C126 R128 I130 R151 V152 L153 F157 D158 A159C126-H155 PolarHBondContact SG-NE2 3.01Å; R128-H155 WeakPolarHBondContact CD-CE1 3.47Å; R128-H155 WeakPolarHBondContact CD-NE2 3.44Å; I130-H155 HydrophobicContact CD1-CB 3.67Å; R151-H155 PolarHBondContact O-N 3.31Å; V152-H155 WeakPolarHBondContact O-CB 3.41Å; V152-H155 PolarHBondContact O-N 3.16Å; L153-H155 PolarHBondContact O-N 3.49Å; H155-F157 VanDerWaalsContact C-N 3.32Å; H155-F157 PolarHBondContact O-N 2.8Å; H155-D158 PolarHBondContact O-N 3.2Å; H155-A159 VanDerWaalsContact CE1-CB 3.47Å; H155-A159 WeakPolarHBondContact CE1-CB 3.29Å; H155-A159 VanDerWaalsContact O-CB 3.26Å; H155-A159 WeakPolarHBondContact O-CB 3.45Å; H155-A159 PolarHBondContact O-N 3.16Å
156M93.4Very high90.8Very high0 Ų058.1 Ų58.10%029%0.294CS..Hα-helixtrans-66-35.1178.8-68.5171.772.600112.3L124 F125 V152 L153 S154 H160 K161 F162 L177L124-M156 HydrophobicContact CB-CE 3.73Å; L124-M156 HydrophobicContact CD1-CE 3.44Å; L124-M156 VanDerWaalsContact CD1-CE 3.44Å; L124-M156 HydrophobicContact CG-CE 3.46Å; L124-M156 VanDerWaalsContact CG-CE 3.46Å; L124-M156 HydrophobicContact CG-SD 4.32Å; F125-M156 HydrophobicContact CD2-CE 3.88Å; F125-M156 HydrophobicContact CE2-CE 3.52Å; V152-M156 HydrophobicContact CG1-CG 4.4Å; V152-M156 HydrophobicContact CG1-SD 3.78Å; V152-M156 VanDerWaalsContact O-CG 3.27Å; V152-M156 WeakPolarHBondContact O-CG 3.21Å; V152-M156 PolarHBondContact O-N 2.95Å; L153-M156 PolarHBondContact O-N 3.17Å; S154-M156 PolarHBondContact O-N 3.12Å; M156-H160 CarbonylContact O-C 3.57Å; M156-H160 WeakPolarHBondContact O-CA 3.41Å; M156-H160 WeakPolarHBondContact O-CB 3.24Å; M156-H160 PolarHBondContact O-N 2.82Å; M156-K161 PolarHBondContact O-N 2.75Å; M156-F162 HydrophobicContact CB-CB 4.14Å; M156-F162 HydrophobicContact CB-CD1 4.01Å; M156-F162 HydrophobicContact CB-CG 4.5Å; M156-F162 HydrophobicContact CE-CD1 3.45Å; M156-F162 VanDerWaalsContact CE-CD1 3.45Å; M156-F162 HydrophobicContact CE-CE1 3.58Å; M156-F162 HydrophobicContact CE-CG 4.02Å; M156-F162 HydrophobicContact CE-CZ 4.26Å; M156-F162 PolarHBondContact O-N 3.16Å; M156-F162 VanDerWaalsContact O-N 3.15Å; M156-F162 HydrophobicContact SD-CD1 4.39Å; M156-L177 HydrophobicContact SD-CD2 4.28Å
157F93.7Very high90.7Very high120 Ų12061.1 Ų61.153%0.52631%0.314SS..Hα-helixtrans-64.9-51172.8-177.3-100.9000111.3L153 S154 H155 K161 F162L153-F157 WeakPolarHBondContact O-CB 3.4Å; L153-F157 PolarHBondContact O-N 2.8Å; S154-F157 PolarHBondContact O-N 3.4Å; H155-F157 VanDerWaalsContact C-N 3.32Å; H155-F157 PolarHBondContact O-N 2.8Å; F157-K161 WeakPolarHBondContact O-CA 3.22Å; F157-K161 PolarHBondContact O-N 3.38Å; F157-F162 WeakPolarHBondContact CA-O 3.46Å
158D94.6Very high90.6Very high128 Ų12866.6 Ų66.668%0.68434%0.337SS*.Hα-helixtrans-69.3-45.6-176.1-67.6-22.5000112.9S154 H155S154-D158 PolarHBondContact O-N 2.82Å; H155-D158 PolarHBondContact O-N 3.2Å
159A93.3Very high90.2Very high55 Ų5570.8 Ų70.846%0.45535%0.352SS..Hα-helixtrans-85.7-33.4-173.600000113.5H155H155-A159 VanDerWaalsContact CE1-CB 3.47Å; H155-A159 WeakPolarHBondContact CE1-CB 3.29Å; H155-A159 VanDerWaalsContact O-CB 3.26Å; H155-A159 WeakPolarHBondContact O-CB 3.45Å; H155-A159 PolarHBondContact O-N 3.16Å
160H92.1Very high89.9Confident25 Ų2572.5 Ų72.512%0.11636%0.361CS..Hα-helixtrans-120.9-3.5-171-55.9-61.8000114.1C123 F125 C126 M156 F162C123-H160 PolarHBondContact SG-CD2 3.49Å; C123-H160 PolarHBondContact SG-NE2 2.98Å; C123-H160 VanDerWaalsContact SG-NE2 3.38Å; F125-H160 HydrophobicContact CB-CB 4.36Å; F125-H160 HydrophobicContact CD2-CB 3.82Å; F125-H160 AromaticContact CD2-CD2 3.85Å; F125-H160 AromaticContact CD2-CG 3.85Å; F125-H160 HydrophobicContact CE2-CB 4.37Å; F125-H160 HydrophobicContact CG-CB 4.13Å; F125-H160 AromaticContact CG-CG 3.92Å; C126-H160 PolarHBondContact SG-NE2 3.42Å; M156-H160 CarbonylContact O-C 3.57Å; M156-H160 WeakPolarHBondContact O-CA 3.41Å; M156-H160 WeakPolarHBondContact O-CB 3.24Å; M156-H160 PolarHBondContact O-N 2.82Å; H160-F162 PolarHBondContact O-N 3.43Å
161K91.4Very high89.8Confident185 Ų18571.7 Ų71.780%0.80437%0.365SS*.  trans55.132-173.5-55.9-175.7177.6-175.50112.4M156 F157M156-K161 PolarHBondContact O-N 2.75Å; F157-K161 WeakPolarHBondContact O-CA 3.22Å; F157-K161 PolarHBondContact O-N 3.38Å
162F91.2Very high89.6Confident3 Ų368 Ų681%0.01336%0.356CS..  trans-83.2125.2175.8175.8-101.6000109.3F125 L153 M156 F157 H160 V164 L180 L191 K226 V228F125-F162 HydrophobicContact CD2-CB 4.47Å; F125-F162 HydrophobicContact CE2-CB 3.58Å; F125-F162 HydrophobicContact CE2-CD1 4.29Å; F125-F162 AromaticContact CE2-CD2 3.61Å; F125-F162 HydrophobicContact CE2-CD2 3.61Å; F125-F162 HydrophobicContact CE2-CE2 4.31Å; F125-F162 AromaticContact CE2-CG 3.57Å; F125-F162 HydrophobicContact CE2-CG 3.57Å; F125-F162 HydrophobicContact CZ-CB 4.11Å; F125-F162 AromaticContact CZ-CD2 3.47Å; F125-F162 HydrophobicContact CZ-CD2 3.47Å; F125-F162 VanDerWaalsContact CZ-CD2 3.47Å; F125-F162 HydrophobicContact CZ-CE2 4.06Å; F125-F162 AromaticContact CZ-CG 3.95Å; F125-F162 HydrophobicContact CZ-CG 3.95Å; L153-F162 HydrophobicContact CD2-CE1 4.36Å; M156-F162 HydrophobicContact CB-CB 4.14Å; M156-F162 HydrophobicContact CB-CD1 4.01Å; M156-F162 HydrophobicContact CB-CG 4.5Å; M156-F162 HydrophobicContact CE-CD1 3.45Å; M156-F162 VanDerWaalsContact CE-CD1 3.45Å; M156-F162 HydrophobicContact CE-CE1 3.58Å; M156-F162 HydrophobicContact CE-CG 4.02Å; M156-F162 HydrophobicContact CE-CZ 4.26Å; M156-F162 PolarHBondContact O-N 3.16Å; M156-F162 VanDerWaalsContact O-N 3.15Å; M156-F162 HydrophobicContact SD-CD1 4.39Å; F157-F162 WeakPolarHBondContact CA-O 3.46Å; H160-F162 PolarHBondContact O-N 3.43Å; F162-V164 HydrophobicContact CE1-CG2 3.81Å; F162-V164 HydrophobicContact CZ-CG2 4.34Å; F162-L180 HydrophobicContact CZ-CD1 4.24Å; F162-L191 HydrophobicContact CE2-CD1 4.2Å; F162-L191 HydrophobicContact CZ-CD1 4.45Å; F162-K226 WeakPolarHBondContact CD2-O 3.21Å; F162-V228 HydrophobicContact CE2-CG2 3.82Å; F162-V228 HydrophobicContact CZ-CG2 3.62Å
163S89.5Confident89.5Confident69 Ų6968.5 Ų68.548%0.48336%0.359SS..  trans-126.3135.6176-173.50000109.4
164V87.5Confident89.4Confident12 Ų1267 Ų677%0.07335%0.352CS..  trans-80.9133176.8174.80000108.3L153 F162 L170 L176 Y272L153-V164 HydrophobicContact CD2-CG2 3.75Å; F162-V164 HydrophobicContact CE1-CG2 3.81Å; F162-V164 HydrophobicContact CZ-CG2 4.34Å; V164-L170 HydrophobicContact CG1-CD2 4.47Å; V164-L176 HydrophobicContact CG1-CD2 3.61Å; V164-L176 HydrophobicContact CG2-CD2 4.18Å; V164-Y272 WeakPolarHBondContact CG1-OH 3.22Å
165P83.8Confident89.2Confident18 Ų1864.3 Ų64.312%0.11734%0.335CS..SBendtrans-57.8141176.8-23.534.7000111.1F230 F268 Y272P165-F230 HydrophobicContact CB-CB 4.39Å; P165-F230 HydrophobicContact CG-CB 4.04Å; P165-F230 HydrophobicContact CG-CD1 4.14Å; P165-F230 HydrophobicContact CG-CG 4.34Å; P165-F268 HydrophobicContact CB-CE1 3.95Å; P165-F268 HydrophobicContact CB-CZ 4.09Å; P165-F268 HydrophobicContact CG-CE1 4.19Å; P165-F268 HydrophobicContact CG-CZ 4Å; P165-Y272 WeakPolarHBondContact O-CE1 3.35Å; P165-Y272 PolarHBondContact O-OH 3.03Å; P165-Y272 VanDerWaalsContact O-OH 3.09Å
166F81.5Confident89Confident124 Ų12463.3 Ų63.354%0.54433%0.33SS..  trans47.658.9177-48.2-68.8000115.5E168 R169 Y272F166-E168 PolarHBondContact O-N 3.07Å; F166-E168 VanDerWaalsContact O-N 3.07Å; F166-R169 HydrophobicContact CB-CB 4.32Å; F166-R169 HydrophobicContact CB-CG 4.43Å; F166-R169 PolarHBondContact O-N 3.19Å; F166-Y272 HydrophobicContact CB-CD1 4.36Å; F166-Y272 HydrophobicContact CB-CE1 4.22Å; F166-Y272 WeakPolarHBondContact O-CE1 3.32Å
167P86.7Confident88.8Confident89 Ų8963.9 Ų63.958%0.57833%0.333SS*.G310 helixtrans-60.9-25-176.427.4-35.7000113.4R169 L170P167-R169 VanDerWaalsContact C-N 3.25Å; P167-R169 PolarHBondContact O-N 2.99Å; P167-L170 PolarHBondContact O-N 3.1Å
168E85.2Confident88.6Confident193 Ų19361.5 Ų61.590%0.90233%0.325SS*.G310 helixtrans-66.7-24.6176.6-62174.4-173.600113.3F166F166-E168 PolarHBondContact O-N 3.07Å; F166-E168 VanDerWaalsContact O-N 3.07Å
169R82Confident88.3Confident92 Ų9258 Ų5835%0.34731%0.305SS..G310 helixtrans-99.6-1.9-177.5-63-176.5-171.6-158.7-1.6113F166 P167 T171 Y272 D273 V276F166-R169 HydrophobicContact CB-CB 4.32Å; F166-R169 HydrophobicContact CB-CG 4.43Å; F166-R169 PolarHBondContact O-N 3.19Å; P167-R169 VanDerWaalsContact C-N 3.25Å; P167-R169 PolarHBondContact O-N 2.99Å; R169-T171 PolarHBondContact O-N 2.86Å; R169-Y272 HydrophobicContact CB-CD1 3.97Å; R169-Y272 CarbonylContact O-C 3.38Å; R169-Y272 VanDerWaalsContact O-CA 3.28Å; R169-Y272 WeakPolarHBondContact O-CA 3.4Å; R169-D273 PolarHBondContact O-N 3.31Å; R169-V276 PolarHBondContact NH1-O 3Å; R169-V276 VanDerWaalsContact NH1-O 3.15Å
170L87Confident88.1Confident35 Ų3555.4 Ų55.418%0.18328%0.283CS..BIsolated β-bridgetrans-73.8111.2-176-175.266.4000110.1V164 P167 P173 L176 F271 Y272V164-L170 HydrophobicContact CG1-CD2 4.47Å; P167-L170 PolarHBondContact O-N 3.1Å; L170-P173 HydrophobicContact CD2-CB 3.81Å; L170-P173 HydrophobicContact CG-CB 4.43Å; L170-L176 HydrophobicContact CD1-CB 4.3Å; L170-L176 HydrophobicContact CD1-CD2 3.7Å; L170-L176 HydrophobicContact CD2-CD2 4.22Å; L170-F271 HydrophobicContact CD1-CB 4.23Å; L170-Y272 HydrophobicContact CB-CD1 4.47Å; L170-Y272 HydrophobicContact CB-CE1 4.21Å; L170-Y272 HydrophobicContact CD1-CD2 4.4Å; L170-Y272 HydrophobicContact CD1-CE1 4.08Å; L170-Y272 HydrophobicContact CD1-CE2 3.99Å
171T87.7Confident88Confident92 Ų9254.3 Ų54.356%0.56428%0.278SS*.SBendtrans-82.6-42.4-178.952.30000111.6R169 F271 D273R169-T171 PolarHBondContact O-N 2.86Å; T171-F271 PolarHBondContact N-O 3.45Å; T171-F271 VanDerWaalsContact OG1-C 3.31Å; T171-F271 PolarHBondContact OG1-O 3.32Å; T171-D273 HydrophobicContact CG2-CB 3.97Å
172D88.5Confident87.9Confident64 Ų6451 Ų5134%0.34226%0.26SS..  trans-127.397.5-180-177.916000112.5A174 G175 L176 F271D172-A174 VanDerWaalsContact C-N 3.31Å; D172-A174 PolarHBondContact O-N 3.35Å; D172-A174 PolarHBondContact OD1-N 3.08Å; D172-G175 PolarHBondContact OD1-N 3.2Å; D172-G175 WeakPolarHBondContact OD2-CA 3.41Å; D172-G175 PolarHBondContact OD2-N 2.8Å; D172-L176 PolarHBondContact O-N 2.93Å; D172-F271 HydrophobicContact CB-CD1 4.24Å
173P90.7Very high87.7Confident11 Ų1151.5 Ų51.57%0.07126%0.263CS..Hα-helixtrans-72.6-23.6177.730.5-35.2000113.1S146 A149 L153 L170 L177S146-P173 WeakPolarHBondContact OG-CG 3.42Å; A149-P173 HydrophobicContact CB-CB 4.08Å; A149-P173 HydrophobicContact CB-CG 4.29Å; L153-P173 HydrophobicContact CD1-CB 4.13Å; L170-P173 HydrophobicContact CD2-CB 3.81Å; L170-P173 HydrophobicContact CG-CB 4.43Å; P173-L177 PolarHBondContact O-N 2.81Å
174A90.9Very high87.7Confident3 Ų348.2 Ų48.23%0.02524%0.24CC..Hα-helixtrans-74.9-51.5-178.300000109.9Q145 A149 D172 L176 L177 I178Q145-A174 HydrophobicContact CB-CB 4.05Å; A149-A174 HydrophobicContact CB-CB 4.16Å; D172-A174 VanDerWaalsContact C-N 3.31Å; D172-A174 PolarHBondContact O-N 3.35Å; D172-A174 PolarHBondContact OD1-N 3.08Å; A174-L176 VanDerWaalsContact C-N 3.29Å; A174-L176 PolarHBondContact O-N 3.19Å; A174-L177 PolarHBondContact O-N 3.33Å; A174-L177 VanDerWaalsContact O-N 3.08Å; A174-I178 WeakPolarHBondContact O-CG1 3.36Å; A174-I178 PolarHBondContact O-N 3.32Å; A174-I178 VanDerWaalsContact O-N 3.07Å
175G88.9Confident87.7Confident8 Ų847.6 Ų47.68%0.08224%0.237CC..Hα-helixtrans-55.2-43.4175.600000112.8D172 L177 I178 E179 F271D172-G175 PolarHBondContact OD1-N 3.2Å; D172-G175 WeakPolarHBondContact OD2-CA 3.41Å; D172-G175 PolarHBondContact OD2-N 2.8Å; G175-L177 VanDerWaalsContact C-N 3.34Å; G175-L177 PolarHBondContact O-N 3.03Å; G175-I178 WeakPolarHBondContact O-CB 3.17Å; G175-I178 PolarHBondContact O-N 2.92Å; G175-I178 VanDerWaalsContact O-N 3.16Å; G175-E179 PolarHBondContact O-N 3.4Å; G175-E179 VanDerWaalsContact O-N 3.12Å; G175-F271 VanDerWaalsContact C-CE1 3.41Å
176L88.6Confident87.7Confident3 Ų349.1 Ų49.12%0.01624%0.242CC..Hα-helixtrans-56.8-45.9175.4-179.768000112.3V164 L170 D172 A174 I178 E179 L180 L267 F271V164-L176 HydrophobicContact CG1-CD2 3.61Å; V164-L176 HydrophobicContact CG2-CD2 4.18Å; L170-L176 HydrophobicContact CD1-CB 4.3Å; L170-L176 HydrophobicContact CD1-CD2 3.7Å; L170-L176 HydrophobicContact CD2-CD2 4.22Å; D172-L176 PolarHBondContact O-N 2.93Å; A174-L176 VanDerWaalsContact C-N 3.29Å; A174-L176 PolarHBondContact O-N 3.19Å; L176-I178 VanDerWaalsContact C-N 3.33Å; L176-I178 PolarHBondContact O-N 3.49Å; L176-E179 PolarHBondContact O-N 3.34Å; L176-L180 HydrophobicContact CD1-CD1 4.3Å; L176-L180 HydrophobicContact CD1-CG 4.34Å; L176-L180 HydrophobicContact CG-CD1 4.02Å; L176-L180 HydrophobicContact CG-CG 4.41Å; L176-L180 WeakPolarHBondContact O-CB 3.47Å; L176-L180 VanDerWaalsContact O-CG 3.25Å; L176-L180 WeakPolarHBondContact O-CG 3.05Å; L176-L180 PolarHBondContact O-N 2.86Å; L176-L267 HydrophobicContact CD1-CD2 4.36Å; L176-F271 HydrophobicContact CB-CB 4.37Å; L176-F271 HydrophobicContact CB-CD2 4.37Å; L176-F271 HydrophobicContact CB-CG 4.2Å; L176-F271 HydrophobicContact CD1-CD2 4.1Å
177L90.7Very high87.7Confident12 Ų1245.6 Ų45.66%0.06323%0.227CC..Hα-helixtrans-68.5-31.1179.9-77.9-179.7000113.1L120 A149 V152 L153 M156 P173 A174 G175 G181L120-L177 HydrophobicContact CD2-CB 4.29Å; A149-L177 HydrophobicContact CB-CD1 3.76Å; V152-L177 HydrophobicContact CB-CD1 3.96Å; V152-L177 HydrophobicContact CG1-CD1 3.94Å; L153-L177 HydrophobicContact CD2-CD2 3.85Å; L153-L177 HydrophobicContact CD2-CG 4.35Å; L153-L177 HydrophobicContact CG-CD1 4.22Å; L153-L177 HydrophobicContact CG-CD2 4.43Å; L153-L177 HydrophobicContact CG-CG 4.49Å; M156-L177 HydrophobicContact SD-CD2 4.28Å; P173-L177 PolarHBondContact O-N 2.81Å; A174-L177 PolarHBondContact O-N 3.33Å; A174-L177 VanDerWaalsContact O-N 3.08Å; G175-L177 VanDerWaalsContact C-N 3.34Å; G175-L177 PolarHBondContact O-N 3.03Å; L177-G181 WeakPolarHBondContact O-CA 3.45Å; L177-G181 PolarHBondContact O-N 3.34Å
178I89.2Confident87.7Confident70 Ų7041.6 Ų41.636%0.35920%0.201SC..Hα-helixtrans-62.5-50.8174.1-62170.6000109.3L120 A174 G175 L176 L180 G181 R182L120-I178 HydrophobicContact CD1-CD1 3.87Å; L120-I178 HydrophobicContact CD1-CG1 3.88Å; L120-I178 HydrophobicContact CD2-CD1 4.19Å; L120-I178 HydrophobicContact CD2-CG1 3.36Å; L120-I178 HydrophobicContact CG-CD1 4.27Å; L120-I178 HydrophobicContact CG-CG1 3.7Å; A174-I178 WeakPolarHBondContact O-CG1 3.36Å; A174-I178 PolarHBondContact O-N 3.32Å; A174-I178 VanDerWaalsContact O-N 3.07Å; G175-I178 WeakPolarHBondContact O-CB 3.17Å; G175-I178 PolarHBondContact O-N 2.92Å; G175-I178 VanDerWaalsContact O-N 3.16Å; L176-I178 VanDerWaalsContact C-N 3.33Å; L176-I178 PolarHBondContact O-N 3.49Å; I178-L180 PolarHBondContact O-N 3.46Å; I178-G181 CarbonylContact O-C 3.59Å; I178-G181 WeakPolarHBondContact O-CA 3.27Å; I178-G181 PolarHBondContact O-N 2.91Å; I178-G181 VanDerWaalsContact O-N 3.16Å; I178-R182 WeakPolarHBondContact O-CB 3.39Å; I178-R182 PolarHBondContact O-N 3.12Å
179E87.7Confident87.8Confident56 Ų5632.4 Ų32.426%0.26216%0.158SC..Hα-helixtrans-66-40.8-179-67.3-54.6144.100112.1G175 L176 G181 R182 I183 L267 F271G175-E179 PolarHBondContact O-N 3.4Å; G175-E179 VanDerWaalsContact O-N 3.12Å; L176-E179 PolarHBondContact O-N 3.34Å; E179-G181 VanDerWaalsContact C-N 3.3Å; E179-G181 PolarHBondContact O-N 3.05Å; E179-R182 VanDerWaalsContact O-CB 3.29Å; E179-R182 WeakPolarHBondContact O-CB 3.42Å; E179-R182 PolarHBondContact O-N 3.49Å; E179-R182 IonicContact OE2-NH1 3.64Å; E179-I183 WeakPolarHBondContact O-CG1 3.4Å; E179-I183 PolarHBondContact O-N 3.1Å; E179-L267 HydrophobicContact CB-CD2 3.63Å; E179-L267 HydrophobicContact CG-CD2 4.23Å; E179-F271 HydrophobicContact CB-CE2 4.32Å; E179-F271 HydrophobicContact CG-CE2 3.76Å; E179-F271 HydrophobicContact CG-CZ 3.68Å
180L89.9Confident88Confident0 Ų028 Ų280%014%0.141CC..Hα-helixtrans-64-38173.2-66.6178.3000112L124 F162 L176 I178 R182 I183 V184 L191 V228 L267L124-L180 HydrophobicContact CD1-CB 3.81Å; L124-L180 HydrophobicContact CD1-CD1 4.25Å; F162-L180 HydrophobicContact CZ-CD1 4.24Å; L176-L180 HydrophobicContact CD1-CD1 4.3Å; L176-L180 HydrophobicContact CD1-CG 4.34Å; L176-L180 HydrophobicContact CG-CD1 4.02Å; L176-L180 HydrophobicContact CG-CG 4.41Å; L176-L180 WeakPolarHBondContact O-CB 3.47Å; L176-L180 VanDerWaalsContact O-CG 3.25Å; L176-L180 WeakPolarHBondContact O-CG 3.05Å; L176-L180 PolarHBondContact O-N 2.86Å; I178-L180 PolarHBondContact O-N 3.46Å; L180-R182 VanDerWaalsContact C-N 3.29Å; L180-I183 PolarHBondContact O-N 3.29Å; L180-V184 WeakPolarHBondContact O-CG2 3.5Å; L180-V184 PolarHBondContact O-N 3.25Å; L180-V184 VanDerWaalsContact O-N 3.07Å; L180-L191 HydrophobicContact CD2-CD1 4.17Å; L180-L191 HydrophobicContact CD2-CD2 3.7Å; L180-V228 HydrophobicContact CD1-CG2 4.16Å; L180-V228 HydrophobicContact CD2-CG1 4.46Å; L180-V228 HydrophobicContact CD2-CG2 4.04Å; L180-L267 HydrophobicContact CD2-CD1 4.18Å
181G90.2Very high88Confident1 Ų126.5 Ų26.51%0.0113%0.133CC..Hα-helixtrans-65.4-33.117500000112.5L118 L177 I178 E179 G185L118-G181 PolarHBondContact N-O 2.88Å; L177-G181 WeakPolarHBondContact O-CA 3.45Å; L177-G181 PolarHBondContact O-N 3.34Å; I178-G181 CarbonylContact O-C 3.59Å; I178-G181 WeakPolarHBondContact O-CA 3.27Å; I178-G181 PolarHBondContact O-N 2.91Å; I178-G181 VanDerWaalsContact O-N 3.16Å; E179-G181 VanDerWaalsContact C-N 3.3Å; E179-G181 PolarHBondContact O-N 3.05Å; G181-G185 VanDerWaalsContact O-CA 3.24Å; G181-G185 WeakPolarHBondContact O-CA 3.42Å; G181-G185 PolarHBondContact O-N 3.15Å
182R87.8Confident87.7Confident115 Ų11523 Ų2343%0.43411%0.113SC..Hα-helixtrans-67.1-47.9172.7-164.2-173.3170.9-156-4.9111.7I178 E179 L180 V184 G185 E186 E187I178-R182 WeakPolarHBondContact O-CB 3.39Å; I178-R182 PolarHBondContact O-N 3.12Å; E179-R182 VanDerWaalsContact O-CB 3.29Å; E179-R182 WeakPolarHBondContact O-CB 3.42Å; E179-R182 PolarHBondContact O-N 3.49Å; E179-R182 IonicContact OE2-NH1 3.64Å; L180-R182 VanDerWaalsContact C-N 3.29Å; R182-V184 PolarHBondContact O-N 3.11Å; R182-G185 PolarHBondContact O-N 2.65Å; R182-E186 HydrophobicContact CG-CB 4.35Å; R182-E186 HydrophobicContact CG-CG 3.92Å; R182-E186 WeakPolarHBondContact CG-OE2 3.25Å; R182-E186 IonicContact NE-OE2 2.79Å; R182-E186 PolarHBondContact NE-OE2 3.3Å; R182-E186 WeakPolarHBondContact O-CA 3.38Å; R182-E186 VanDerWaalsContact O-CB 3.29Å; R182-E186 WeakPolarHBondContact O-CB 3.06Å; R182-E186 PolarHBondContact O-N 3.06Å; R182-E187 PolarHBondContact O-N 2.88Å
183I87.6Confident87.1Confident14 Ų1421.4 Ų21.47%0.07211%0.107CC..Hα-helixtrans-62-44.1179.4-65.4165.3000111.6E179 L180 E187 R188 C189 L191 A263 L267E179-I183 WeakPolarHBondContact O-CG1 3.4Å; E179-I183 PolarHBondContact O-N 3.1Å; L180-I183 PolarHBondContact O-N 3.29Å; I183-E187 WeakPolarHBondContact O-CB 3.45Å; I183-R188 PolarHBondContact O-N 2.76Å; I183-C189 HydrophobicContact CG2-CB 3.64Å; I183-C189 PolarHBondContact O-N 2.88Å; I183-L191 HydrophobicContact CB-CD2 4.17Å; I183-L191 HydrophobicContact CG2-CD2 3.82Å; I183-A263 HydrophobicContact CD1-CB 3.83Å; I183-L267 HydrophobicContact CD1-CD1 4.39Å
184V89.8Confident86.6Confident0 Ų020.9 Ų20.90%010%0.104CC..Hα-helixtrans-78.7-36.1-179.9178.70000111.6L118 L180 R182 R188 L191 V215 M219L118-V184 HydrophobicContact CD1-CB 3.77Å; L118-V184 HydrophobicContact CD1-CG1 3.71Å; L180-V184 WeakPolarHBondContact O-CG2 3.5Å; L180-V184 PolarHBondContact O-N 3.25Å; L180-V184 VanDerWaalsContact O-N 3.07Å; R182-V184 PolarHBondContact O-N 3.11Å; V184-R188 WeakPolarHBondContact O-CD 3.36Å; V184-L191 HydrophobicContact CG2-CD1 4.34Å; V184-L191 HydrophobicContact CG2-CD2 3.83Å; V184-L191 HydrophobicContact CG2-CG 3.94Å; V184-V215 HydrophobicContact CG1-CG1 4.15Å; V184-M219 HydrophobicContact CG2-SD 4.46Å
185G87.1Confident86Confident0 Ų027.7 Ų27.70%013%0.129CC..Hα-helixtrans-87.8-47.9-171.700000114.8E116 G181 R182 R188E116-G185 CarbonylContact O-C 3.56Å; G181-G185 VanDerWaalsContact O-CA 3.24Å; G181-G185 WeakPolarHBondContact O-CA 3.42Å; G181-G185 PolarHBondContact O-N 3.15Å; R182-G185 PolarHBondContact O-N 2.65Å; G185-R188 WeakPolarHBondContact O-CD 3.33Å; G185-R188 VanDerWaalsContact O-CZ 3.31Å; G185-R188 PolarHBondContact O-NE 3.39Å; G185-R188 PolarHBondContact O-NH2 3.41Å
186E84.4Confident85.7Confident50 Ų5030 Ų3023%0.23414%0.138CC..THydrogen-bonded Turntrans-84.7-58.5177.5-56-174.9171.100110.1T115 P117 R182 R188T115-E186 WeakPolarHBondContact OG1-CA 3.4Å; T115-E186 PolarHBondContact OG1-O 3.02Å; T115-E186 VanDerWaalsContact OG1-O 3.08Å; P117-E186 HydrophobicContact CB-CG 3.88Å; P117-E186 WeakPolarHBondContact CB-OE1 3.49Å; P117-E186 WeakPolarHBondContact CD-OE1 3.48Å; P117-E186 HydrophobicContact CG-CG 4.46Å; P117-E186 WeakPolarHBondContact CG-OE1 3.49Å; R182-E186 HydrophobicContact CG-CB 4.35Å; R182-E186 HydrophobicContact CG-CG 3.92Å; R182-E186 WeakPolarHBondContact CG-OE2 3.25Å; R182-E186 IonicContact NE-OE2 2.79Å; R182-E186 PolarHBondContact NE-OE2 3.3Å; R182-E186 WeakPolarHBondContact O-CA 3.38Å; R182-E186 VanDerWaalsContact O-CB 3.29Å; R182-E186 WeakPolarHBondContact O-CB 3.06Å; R182-E186 PolarHBondContact O-N 3.06Å; E186-R188 VanDerWaalsContact C-N 3.32Å; E186-R188 PolarHBondContact O-N 2.77Å
187E81Confident85.4Confident49 Ų4932.2 Ų32.223%0.22915%0.147CC..SBendtrans-79.8-13.9-170.8-51.2-165.8145.600114.3R182 I183 C189 Y198R182-E187 PolarHBondContact O-N 2.88Å; I183-E187 WeakPolarHBondContact O-CB 3.45Å; E187-C189 HydrophobicContact CB-CB 4.22Å; E187-C189 WeakPolarHBondContact CB-SG 3.07Å; E187-C189 PolarHBondContact O-N 3Å; E187-C189 PolarHBondContact O-SG 3.21Å; E187-C189 VanDerWaalsContact O-SG 3.39Å; E187-C189 PolarHBondContact OE2-SG 3.22Å; E187-Y198 PolarHBondContact O-OH 3.5Å; E187-Y198 VanDerWaalsContact O-OH 3.09Å
188R87.9Confident84.7Confident6 Ų637.7 Ų37.72%0.02317%0.168CC..  trans54.840.2-176.1-48.2-51.3174.2110.3-23.1112.3I183 V184 G185 E186 Q196 F197 Y198 T208 S211 V215I183-R188 PolarHBondContact O-N 2.76Å; V184-R188 WeakPolarHBondContact O-CD 3.36Å; G185-R188 WeakPolarHBondContact O-CD 3.33Å; G185-R188 VanDerWaalsContact O-CZ 3.31Å; G185-R188 PolarHBondContact O-NE 3.39Å; G185-R188 PolarHBondContact O-NH2 3.41Å; E186-R188 VanDerWaalsContact C-N 3.32Å; E186-R188 PolarHBondContact O-N 2.77Å; R188-Q196 CarbonylContact O-C 3.5Å; R188-Q196 WeakPolarHBondContact O-CA 3.45Å; R188-F197 PolarHBondContact O-N 3.32Å; R188-Y198 HydrophobicContact CB-CE1 4.45Å; R188-Y198 HydrophobicContact CG-CD1 4.44Å; R188-Y198 HydrophobicContact CG-CE1 4.21Å; R188-T208 PolarHBondContact NH1-O 3.08Å; R188-S211 PolarHBondContact NH1-OG 2.93Å; R188-V215 HydrophobicContact CB-CG2 3.73Å; R188-V215 VanDerWaalsContact O-CG2 3.23Å; R188-V215 WeakPolarHBondContact O-CG2 3.31Å
189C85.6Confident83.5Confident0 Ų035.9 Ų35.90%017%0.167CC..BIsolated β-bridgetrans-101.2143.1-176-69.50000111.6I183 E187 R195 Q196I183-C189 HydrophobicContact CG2-CB 3.64Å; I183-C189 PolarHBondContact O-N 2.88Å; E187-C189 HydrophobicContact CB-CB 4.22Å; E187-C189 WeakPolarHBondContact CB-SG 3.07Å; E187-C189 PolarHBondContact O-N 3Å; E187-C189 PolarHBondContact O-SG 3.21Å; E187-C189 VanDerWaalsContact O-SG 3.39Å; E187-C189 PolarHBondContact OE2-SG 3.22Å; C189-R195 WeakPolarHBondContact CA-O 3.48Å; C189-Q196 VanDerWaalsContact SG-CG 3.59Å; C189-Q196 PolarHBondContact SG-NE2 3Å; C189-Q196 VanDerWaalsContact SG-NE2 3.44Å
190C87.8Confident82Confident0 Ų037.2 Ų37.20%018%0.182CC..  trans-75.9128168175.20000111.3A192 C193 G194 R195 F197 M219 H225 A260C190-A192 PolarHBondContact O-N 3.4Å; C190-A192 VanDerWaalsContact O-N 3.12Å; C190-C193 VanDerWaalsContact CB-SG 3.53Å; C190-G194 WeakPolarHBondContact O-CA 3.29Å; C190-G194 PolarHBondContact O-N 3.12Å; C190-R195 PolarHBondContact N-O 3.39Å; C190-F197 HydrophobicContact CB-CE2 4.3Å; C190-M219 HydrophobicContact CB-CG 4.46Å; C190-H225 PolarHBondContact SG-ND1 2.86Å; C190-A260 WeakPolarHBondContact O-CB 3.44Å
191L85.5Confident80.2Confident3 Ų342.9 Ų42.92%0.01622%0.22CC..THydrogen-bonded Turntrans-60-24.9-178.6-59.9178.4000115.6L124 F162 L180 I183 V184 M219 V228 W229L124-L191 HydrophobicContact CD1-CD1 3.86Å; F162-L191 HydrophobicContact CE2-CD1 4.2Å; F162-L191 HydrophobicContact CZ-CD1 4.45Å; L180-L191 HydrophobicContact CD2-CD1 4.17Å; L180-L191 HydrophobicContact CD2-CD2 3.7Å; I183-L191 HydrophobicContact CB-CD2 4.17Å; I183-L191 HydrophobicContact CG2-CD2 3.82Å; V184-L191 HydrophobicContact CG2-CD1 4.34Å; V184-L191 HydrophobicContact CG2-CD2 3.83Å; V184-L191 HydrophobicContact CG2-CG 3.94Å; L191-M219 HydrophobicContact CB-CE 3.78Å; L191-M219 HydrophobicContact CD1-CE 3.65Å; L191-M219 HydrophobicContact CG-CE 3.53Å; L191-V228 HydrophobicContact CD1-CG2 4.46Å; L191-W229 PolarHBondContact O-N 3.19Å; L191-W229 VanDerWaalsContact O-N 3.16Å
192A81.2Confident78.2Confident17 Ų1747 Ų4714%0.1425%0.245CC..THydrogen-bonded Turntrans-96.5-41.1-176.800000113.5C190 G224 H225 Q227C190-A192 PolarHBondContact O-N 3.4Å; C190-A192 VanDerWaalsContact O-N 3.12Å; A192-G224 WeakPolarHBondContact CB-O 3.45Å; A192-H225 HydrophobicContact CB-CB 4.46Å; A192-Q227 HydrophobicContact CB-CG 4.3Å; A192-Q227 WeakPolarHBondContact CB-O 3.49Å
193C77.4Confident76.3Confident31 Ų3151 Ų5121%0.20927%0.268CS..THydrogen-bonded Turntrans-114.9-1-173.176.90000113.9C190 R195 H218 H225 P258C190-C193 VanDerWaalsContact CB-SG 3.53Å; C193-R195 PolarHBondContact O-N 3.45Å; C193-R195 VanDerWaalsContact SG-CG 3.59Å; C193-H218 PolarHBondContact SG-NE2 3.44Å; C193-H225 VanDerWaalsContact CB-CE1 3.41Å; C193-H225 WeakPolarHBondContact CB-CE1 2.97Å; C193-H225 PolarHBondContact SG-CE1 3.16Å; C193-H225 PolarHBondContact SG-ND1 2.84Å; C193-H225 VanDerWaalsContact SG-ND1 3.39Å; C193-P258 VanDerWaalsContact C-CB 3.4Å; C193-P258 WeakPolarHBondContact O-CB 3.37Å
194G78.7Confident74.9Confident1 Ų152.5 Ų52.51%0.0129%0.288CS..  trans41.223.6-17500000117.5C190 Q196C190-G194 WeakPolarHBondContact O-CA 3.29Å; C190-G194 PolarHBondContact O-N 3.12Å; G194-Q196 PolarHBondContact O-N 2.97Å
195R79.5Confident73.5Confident146 Ų14656.9 Ų56.955%0.55132%0.318SS*.  trans-60.8130.7165.7-71.3177.7-174.8-159.20.8108.9C189 C190 C193 F197C189-R195 WeakPolarHBondContact CA-O 3.48Å; C190-R195 PolarHBondContact N-O 3.39Å; C193-R195 PolarHBondContact O-N 3.45Å; C193-R195 VanDerWaalsContact SG-CG 3.59Å; R195-F197 HydrophobicContact CB-CE2 3.87Å; R195-F197 HydrophobicContact CB-CZ 4.07Å; R195-F197 WeakPolarHBondContact O-CD2 3.48Å; R195-F197 VanDerWaalsContact O-CE2 3.24Å; R195-F197 WeakPolarHBondContact O-CE2 3.39Å
196Q83.3Confident72.5Confident57 Ų5761.9 Ų61.927%0.26635%0.345SS..BIsolated β-bridgetrans-89.8139.8176.2-44.5-165.9-55.500109.8R188 C189 G194 Y198R188-Q196 CarbonylContact O-C 3.5Å; R188-Q196 WeakPolarHBondContact O-CA 3.45Å; C189-Q196 VanDerWaalsContact SG-CG 3.59Å; C189-Q196 PolarHBondContact SG-NE2 3Å; C189-Q196 VanDerWaalsContact SG-NE2 3.44Å; G194-Q196 PolarHBondContact O-N 2.97Å; Q196-Y198 HydrophobicContact CB-CD2 3.96Å; Q196-Y198 HydrophobicContact CB-CE2 3.74Å; Q196-Y198 HydrophobicContact CG-CE2 4.37Å
197F80.3Confident72Confident49 Ų4961.8 Ų61.822%0.21535%0.346CS..  trans-118.272.8179.7-63.3-94.4000109.7R188 C190 R195 S211 A214 V215 H218R188-F197 PolarHBondContact O-N 3.32Å; C190-F197 HydrophobicContact CB-CE2 4.3Å; R195-F197 HydrophobicContact CB-CE2 3.87Å; R195-F197 HydrophobicContact CB-CZ 4.07Å; R195-F197 WeakPolarHBondContact O-CD2 3.48Å; R195-F197 VanDerWaalsContact O-CE2 3.24Å; R195-F197 WeakPolarHBondContact O-CE2 3.39Å; F197-S211 WeakPolarHBondContact O-CB 3.4Å; F197-A214 HydrophobicContact CB-CB 4.31Å; F197-A214 HydrophobicContact CD1-CB 4.39Å; F197-V215 HydrophobicContact CB-CG2 3.63Å; F197-V215 HydrophobicContact CD2-CB 4.31Å; F197-V215 HydrophobicContact CD2-CG2 3.78Å; F197-V215 HydrophobicContact CG-CG2 3.99Å; F197-H218 HydrophobicContact CE1-CB 3.89Å; F197-H218 AromaticContact CE1-CG 3.94Å; F197-H218 HydrophobicContact CE2-CB 4.02Å; F197-H218 AromaticContact CE2-CD2 3.55Å; F197-H218 AromaticContact CE2-CG 3.69Å; F197-H218 AromaticContact CE2-NE2 4Å; F197-H218 HydrophobicContact CZ-CB 3.53Å; F197-H218 AromaticContact CZ-CD2 3.47Å; F197-H218 VanDerWaalsContact CZ-CD2 3.47Å; F197-H218 WeakPolarHBondContact CZ-CD2 3.07Å; F197-H218 AromaticContact CZ-CE1 3.68Å; F197-H218 AromaticContact CZ-CG 3.16Å; F197-H218 AromaticContact CZ-ND1 3.35Å; F197-H218 VanDerWaalsContact CZ-ND1 3.35Å; F197-H218 WeakPolarHBondContact CZ-ND1 3.36Å; F197-H218 AromaticContact CZ-NE2 3.77Å
198Y77.7Confident71.9Confident127 Ų12761.6 Ų61.650%0.49835%0.349SS..PPolyproline II helixtrans-81.9126.8166.4-62.2-68.4000109.4E187 R188 Q196E187-Y198 PolarHBondContact O-OH 3.5Å; E187-Y198 VanDerWaalsContact O-OH 3.09Å; R188-Y198 HydrophobicContact CB-CE1 4.45Å; R188-Y198 HydrophobicContact CG-CD1 4.44Å; R188-Y198 HydrophobicContact CG-CE1 4.21Å; Q196-Y198 HydrophobicContact CB-CD2 3.96Å; Q196-Y198 HydrophobicContact CB-CE2 3.74Å; Q196-Y198 HydrophobicContact CG-CE2 4.37Å
199G63.8Low71.7Confident32 Ų3270.6 Ų70.633%0.3338%0.383SS..PPolyproline II helixtrans-64.7166.616300000110C201G199-C201 PolarHBondContact O-N 2.87Å
200S55Low71.7Confident83 Ų8375.4 Ų75.458%0.5841%0.407SS*.PPolyproline II helixtrans-51.6120164.9-178.20000108V202S200-V202 PolarHBondContact O-N 3.41Å
201C51.9Low71.7Confident120 Ų12076 Ų7681%0.81141%0.411SS*.  trans-67.559.7-178.2-45.60000111.7G199G199-C201 PolarHBondContact O-N 2.87Å
202V49.3Very low71.8Confident87 Ų8777.4 Ų77.453%0.52742%0.419SS..  trans-84.9131.2167.3-1750000105.6S200 G204 N207S200-V202 PolarHBondContact O-N 3.41Å; V202-G204 PolarHBondContact O-N 2.92Å; V202-N207 PolarHBondContact O-ND2 3.35Å
203E48.4Very low72.2Confident198 Ų19883.1 Ų83.193%0.92544%0.44SS*.SBendtrans-59.4122.2-180-64.9171.7176.800109.9
204G58.4Low72.9Confident46 Ų4683.3 Ų83.347%0.47444%0.444SS..SBendtrans162.4133.5-179.600000113.4V202 D206 N207V202-G204 PolarHBondContact O-N 2.92Å; G204-D206 PolarHBondContact O-N 3.36Å; G204-N207 PolarHBondContact O-N 3.48Å; G204-N207 VanDerWaalsContact O-N 3.13Å
205S59.4Low73.4Confident92 Ų9283.2 Ų83.264%0.64344%0.444SS*.THydrogen-bonded Turntrans-57.9-26.8179.656.70000113.7N207 T208S205-N207 PolarHBondContact O-N 3.16Å; S205-T208 PolarHBondContact O-N 3.37Å; S205-T208 PolarHBondContact O-OG1 3.33Å
206D65.9Low74.1Confident106 Ų10677.3 Ų77.357%0.56742%0.421SS*.Hα-helixtrans-66.1-27.8179.4-67.1-30.2000112.4G204 T208 R209 I210G204-D206 PolarHBondContact O-N 3.36Å; D206-T208 VanDerWaalsContact C-N 3.29Å; D206-T208 PolarHBondContact O-N 3.18Å; D206-R209 PolarHBondContact O-N 3.42Å; D206-I210 HydrophobicContact CB-CD1 4.48Å; D206-I210 WeakPolarHBondContact O-CD1 3.22Å; D206-I210 WeakPolarHBondContact O-CG1 3.36Å; D206-I210 PolarHBondContact O-N 3.12Å
207N73.3Confident74.5Confident48 Ų4876 Ų7626%0.25742%0.418SS..Hα-helixtrans-68.4-30179.5-73.7-31.1000112.4V202 G204 S205 S211V202-N207 PolarHBondContact O-ND2 3.35Å; G204-N207 PolarHBondContact O-N 3.48Å; G204-N207 VanDerWaalsContact O-N 3.13Å; S205-N207 PolarHBondContact O-N 3.16Å; N207-S211 WeakPolarHBondContact O-CB 3.3Å; N207-S211 PolarHBondContact O-N 3.23Å; N207-S211 PolarHBondContact O-OG 3.07Å
208T79.9Confident75Confident45 Ų4574.3 Ų74.328%0.27641%0.411SS..Hα-helixtrans-69-42.3174.6700000110.4R188 S205 D206 S211 L212R188-T208 PolarHBondContact NH1-O 3.08Å; S205-T208 PolarHBondContact O-N 3.37Å; S205-T208 PolarHBondContact O-OG1 3.33Å; D206-T208 VanDerWaalsContact C-N 3.29Å; D206-T208 PolarHBondContact O-N 3.18Å; T208-S211 WeakPolarHBondContact CA-OG 3.36Å; T208-S211 PolarHBondContact O-N 2.96Å; T208-S211 PolarHBondContact O-OG 3.34Å; T208-L212 WeakPolarHBondContact O-CG 3.42Å; T208-L212 PolarHBondContact O-N 3.46Å
209R83Confident75.6Confident195 Ų19568.3 Ų68.374%0.73639%0.387SS*.Hα-helixtrans-64.5-43.7175.4-74.8-178.8156.5176.2-5.2112.4D206 S211 L212 F213D206-R209 PolarHBondContact O-N 3.42Å; R209-S211 PolarHBondContact O-N 3.32Å; R209-L212 PolarHBondContact O-N 3.21Å; R209-F213 WeakPolarHBondContact O-CB 3.5Å; R209-F213 PolarHBondContact O-N 3.18Å
210I85.9Confident77Confident101 Ų10169.6 Ų69.652%0.51839%0.386SS..Hα-helixtrans-64-42.1179.7-66.5163.6000111D206 F213 A214D206-I210 HydrophobicContact CB-CD1 4.48Å; D206-I210 WeakPolarHBondContact O-CD1 3.22Å; D206-I210 WeakPolarHBondContact O-CG1 3.36Å; D206-I210 PolarHBondContact O-N 3.12Å; I210-F213 PolarHBondContact O-N 3.29Å; I210-A214 WeakPolarHBondContact O-CB 3.33Å; I210-A214 PolarHBondContact O-N 3.39Å
211S86.9Confident78.8Confident11 Ų1171.8 Ų71.88%0.07739%0.392CS..Hα-helixtrans-68.8-39.9177.843.10000112.4R188 F197 N207 T208 R209 F213 A214 V215R188-S211 PolarHBondContact NH1-OG 2.93Å; F197-S211 WeakPolarHBondContact O-CB 3.4Å; N207-S211 WeakPolarHBondContact O-CB 3.3Å; N207-S211 PolarHBondContact O-N 3.23Å; N207-S211 PolarHBondContact O-OG 3.07Å; T208-S211 WeakPolarHBondContact CA-OG 3.36Å; T208-S211 PolarHBondContact O-N 2.96Å; T208-S211 PolarHBondContact O-OG 3.34Å; R209-S211 PolarHBondContact O-N 3.32Å; S211-F213 VanDerWaalsContact C-N 3.31Å; S211-F213 PolarHBondContact O-N 2.97Å; S211-A214 WeakPolarHBondContact O-CB 3.46Å; S211-A214 PolarHBondContact O-N 3.38Å; S211-V215 WeakPolarHBondContact O-CG2 3.46Å; S211-V215 PolarHBondContact O-N 3.04Å
212L88.6Confident80.5Confident34 Ų3469.6 Ų69.618%0.17837%0.368CS..Hα-helixtrans-59.7-45.8173-76.3-175.6000110.5T208 R209 A214 V215 R216T208-L212 WeakPolarHBondContact O-CG 3.42Å; T208-L212 PolarHBondContact O-N 3.46Å; R209-L212 PolarHBondContact O-N 3.21Å; L212-A214 VanDerWaalsContact C-N 3.28Å; L212-A214 PolarHBondContact O-N 2.97Å; L212-V215 PolarHBondContact O-N 2.95Å; L212-R216 WeakPolarHBondContact O-CB 3.26Å; L212-R216 WeakPolarHBondContact O-CG 3.39Å; L212-R216 PolarHBondContact O-N 3.18Å
213F90.6Very high82.2Confident136 Ų13671.4 Ų71.460%0.59638%0.382SS*.Hα-helixtrans-61.4-38.1177.5-176.5-96.2000111.9R209 I210 S211 R216 S217R209-F213 WeakPolarHBondContact O-CB 3.5Å; R209-F213 PolarHBondContact O-N 3.18Å; I210-F213 PolarHBondContact O-N 3.29Å; S211-F213 VanDerWaalsContact C-N 3.31Å; S211-F213 PolarHBondContact O-N 2.97Å; F213-R216 PolarHBondContact O-N 2.89Å; F213-S217 VanDerWaalsContact CE1-OG 3.31Å; F213-S217 WeakPolarHBondContact CE1-OG 3.43Å; F213-S217 VanDerWaalsContact O-CB 3.26Å; F213-S217 WeakPolarHBondContact O-CB 3.43Å; F213-S217 PolarHBondContact O-N 3.32Å; F213-S217 PolarHBondContact O-OG 3.25Å
214A91.1Very high83.8Confident35 Ų3564 Ų6429%0.28936%0.359SS..Hα-helixtrans-65.3-44.5176.900000112.4F197 I210 S211 L212 H218F197-A214 HydrophobicContact CB-CB 4.31Å; F197-A214 HydrophobicContact CD1-CB 4.39Å; I210-A214 WeakPolarHBondContact O-CB 3.33Å; I210-A214 PolarHBondContact O-N 3.39Å; S211-A214 WeakPolarHBondContact O-CB 3.46Å; S211-A214 PolarHBondContact O-N 3.38Å; L212-A214 VanDerWaalsContact C-N 3.28Å; L212-A214 PolarHBondContact O-N 2.97Å; A214-H218 VanDerWaalsContact O-CB 3.3Å; A214-H218 WeakPolarHBondContact O-CB 3.48Å; A214-H218 PolarHBondContact O-N 3.46Å
215V90.2Very high85.2Confident0 Ų063.4 Ų63.40%034%0.344CS..Hα-helixtrans-60.5-50.1174.4-177.60000110.2V184 R188 F197 S211 L212 S217 H218 M219V184-V215 HydrophobicContact CG1-CG1 4.15Å; R188-V215 HydrophobicContact CB-CG2 3.73Å; R188-V215 VanDerWaalsContact O-CG2 3.23Å; R188-V215 WeakPolarHBondContact O-CG2 3.31Å; F197-V215 HydrophobicContact CB-CG2 3.63Å; F197-V215 HydrophobicContact CD2-CB 4.31Å; F197-V215 HydrophobicContact CD2-CG2 3.78Å; F197-V215 HydrophobicContact CG-CG2 3.99Å; S211-V215 WeakPolarHBondContact O-CG2 3.46Å; S211-V215 PolarHBondContact O-N 3.04Å; L212-V215 PolarHBondContact O-N 2.95Å; V215-S217 PolarHBondContact O-N 3.28Å; V215-H218 WeakPolarHBondContact O-CB 3.38Å; V215-H218 PolarHBondContact O-N 2.81Å; V215-M219 HydrophobicContact CG1-CG 4.45Å; V215-M219 HydrophobicContact CG1-SD 4.04Å; V215-M219 WeakPolarHBondContact O-CG 3.33Å; V215-M219 PolarHBondContact O-N 2.95Å
216R92.5Very high86.4Confident22 Ų2262.6 Ų62.68%0.08333%0.329CS..Hα-helixtrans-60.3-45.6-179.5-76177.6169.1166.9-6112.1C123 L124 C126 D127 L212 F213 H218 M219 L220C123-R216 PolarHBondContact O-NH2 2.97Å; L124-R216 VanDerWaalsContact O-CG 3.32Å; L124-R216 WeakPolarHBondContact O-CG 3.45Å; L124-R216 PolarHBondContact O-NE 2.82Å; L124-R216 VanDerWaalsContact O-NE 3.14Å; C126-R216 PolarHBondContact O-NH2 3.27Å; C126-R216 VanDerWaalsContact O-NH2 3.17Å; D127-R216 IonicContact OD1-CZ 2.7Å; D127-R216 IonicContact OD1-NH1 3.01Å; D127-R216 PolarHBondContact OD1-NH1 3.01Å; L212-R216 WeakPolarHBondContact O-CB 3.26Å; L212-R216 WeakPolarHBondContact O-CG 3.39Å; L212-R216 PolarHBondContact O-N 3.18Å; F213-R216 PolarHBondContact O-N 2.89Å; R216-H218 PolarHBondContact O-N 3.31Å; R216-M219 PolarHBondContact O-N 3.25Å; R216-L220 WeakPolarHBondContact O-CB 3.31Å; R216-L220 VanDerWaalsContact O-CG 3.29Å; R216-L220 WeakPolarHBondContact O-CG 3.25Å; R216-L220 PolarHBondContact O-N 3.45Å
217S92.1Very high87.4Confident28 Ų2861.2 Ų61.220%0.19632%0.319CS..Hα-helixtrans-62-44.4176.5-58.30000110.9F213 V215 M219 L220 D221F213-S217 VanDerWaalsContact CE1-OG 3.31Å; F213-S217 WeakPolarHBondContact CE1-OG 3.43Å; F213-S217 VanDerWaalsContact O-CB 3.26Å; F213-S217 WeakPolarHBondContact O-CB 3.43Å; F213-S217 PolarHBondContact O-N 3.32Å; F213-S217 PolarHBondContact O-OG 3.25Å; V215-S217 PolarHBondContact O-N 3.28Å; S217-M219 VanDerWaalsContact C-N 3.34Å; S217-M219 PolarHBondContact O-N 2.98Å; S217-L220 PolarHBondContact O-N 3.04Å; S217-L220 VanDerWaalsContact O-N 3.14Å; S217-D221 VanDerWaalsContact O-CB 3.24Å; S217-D221 WeakPolarHBondContact O-CB 3.49Å; S217-D221 PolarHBondContact O-N 3.31Å
218H91.5Very high87.9Confident15 Ų1559.5 Ų59.57%0.06931%0.31CS..Hα-helixtrans-58.3-44175.7169.982.1000113.1C193 F197 A214 V215 R216 L220 K222 H225C193-H218 PolarHBondContact SG-NE2 3.44Å; F197-H218 HydrophobicContact CE1-CB 3.89Å; F197-H218 AromaticContact CE1-CG 3.94Å; F197-H218 HydrophobicContact CE2-CB 4.02Å; F197-H218 AromaticContact CE2-CD2 3.55Å; F197-H218 AromaticContact CE2-CG 3.69Å; F197-H218 AromaticContact CE2-NE2 4Å; F197-H218 HydrophobicContact CZ-CB 3.53Å; F197-H218 AromaticContact CZ-CD2 3.47Å; F197-H218 VanDerWaalsContact CZ-CD2 3.47Å; F197-H218 WeakPolarHBondContact CZ-CD2 3.07Å; F197-H218 AromaticContact CZ-CE1 3.68Å; F197-H218 AromaticContact CZ-CG 3.16Å; F197-H218 AromaticContact CZ-ND1 3.35Å; F197-H218 VanDerWaalsContact CZ-ND1 3.35Å; F197-H218 WeakPolarHBondContact CZ-ND1 3.36Å; F197-H218 AromaticContact CZ-NE2 3.77Å; A214-H218 VanDerWaalsContact O-CB 3.3Å; A214-H218 WeakPolarHBondContact O-CB 3.48Å; A214-H218 PolarHBondContact O-N 3.46Å; V215-H218 WeakPolarHBondContact O-CB 3.38Å; V215-H218 PolarHBondContact O-N 2.81Å; R216-H218 PolarHBondContact O-N 3.31Å; H218-L220 VanDerWaalsContact C-N 3.33Å; H218-K222 VanDerWaalsContact CE1-CD 3.42Å; H218-K222 WeakPolarHBondContact CE1-CD 3.4Å; H218-K222 PolarHBondContact CE1-NZ 3.23Å; H218-K222 WeakPolarHBondContact ND1-CE 3.34Å; H218-K222 PolarHBondContact O-N 3Å; H218-H225 AromaticContact CD2-ND1 3.8Å; H218-H225 AromaticContact CE1-CE1 3.57Å; H218-H225 AromaticContact CE1-ND1 3.57Å; H218-H225 AromaticContact NE2-CE1 3.35Å; H218-H225 PolarHBondContact NE2-CE1 3.34Å; H218-H225 VanDerWaalsContact NE2-CE1 3.35Å; H218-H225 AromaticContact NE2-CG 3.98Å; H218-H225 AromaticContact NE2-ND1 2.94Å; H218-H225 PolarHBondContact NE2-ND1 3.04Å
219M90.8Very high87.5Confident0 Ų060.2 Ų60.20%031%0.308CS..Hα-helixtrans-66.6-35.8177-67.1178.287.500112F125 V184 C190 L191 V215 R216 S217 K226F125-M219 HydrophobicContact CD1-CB 4Å; F125-M219 HydrophobicContact CD1-CE 4.27Å; F125-M219 HydrophobicContact CD1-SD 4.32Å; F125-M219 HydrophobicContact CE1-CB 3.92Å; F125-M219 HydrophobicContact CE1-CE 3.41Å; F125-M219 VanDerWaalsContact CE1-CE 3.41Å; F125-M219 HydrophobicContact CE1-SD 4.02Å; F125-M219 HydrophobicContact CZ-CE 3.92Å; V184-M219 HydrophobicContact CG2-SD 4.46Å; C190-M219 HydrophobicContact CB-CG 4.46Å; L191-M219 HydrophobicContact CB-CE 3.78Å; L191-M219 HydrophobicContact CD1-CE 3.65Å; L191-M219 HydrophobicContact CG-CE 3.53Å; V215-M219 HydrophobicContact CG1-CG 4.45Å; V215-M219 HydrophobicContact CG1-SD 4.04Å; V215-M219 WeakPolarHBondContact O-CG 3.33Å; V215-M219 PolarHBondContact O-N 2.95Å; R216-M219 PolarHBondContact O-N 3.25Å; S217-M219 VanDerWaalsContact C-N 3.34Å; S217-M219 PolarHBondContact O-N 2.98Å; M219-K226 WeakPolarHBondContact O-CE 3.33Å; M219-K226 WeakPolarHBondContact O-CG 3.48Å
220L92.2Very high86.8Confident59 Ų5956.1 Ų56.131%0.30930%0.295SS..Hα-helixtrans-76.8-37.3-179.8-72.2175.3000113.5F125 R216 S217 H218 K226F125-L220 HydrophobicContact CB-CD2 4.21Å; F125-L220 HydrophobicContact CD1-CD2 4.43Å; R216-L220 WeakPolarHBondContact O-CB 3.31Å; R216-L220 VanDerWaalsContact O-CG 3.29Å; R216-L220 WeakPolarHBondContact O-CG 3.25Å; R216-L220 PolarHBondContact O-N 3.45Å; S217-L220 PolarHBondContact O-N 3.04Å; S217-L220 VanDerWaalsContact O-N 3.14Å; H218-L220 VanDerWaalsContact C-N 3.33Å; L220-K226 HydrophobicContact CD2-CD 4.44Å; L220-K226 WeakPolarHBondContact O-CE 3.22Å; L220-K226 PolarHBondContact O-NZ 2.89Å
221D92.2Very high85.5Confident129 Ų12952.8 Ų52.869%0.6929%0.286SS*.Hα-helixtrans-81.6-33.9-172.9-68-21000112.7S217S217-D221 VanDerWaalsContact O-CB 3.24Å; S217-D221 WeakPolarHBondContact O-CB 3.49Å; S217-D221 PolarHBondContact O-N 3.31Å
222K88.6Confident84.1Confident74 Ų7459.5 Ų59.532%0.32233%0.326SS..SBendtrans-93.6127.9-176.1-64.2-166.1-175.2-176.40112.5H218 G224 H225H218-K222 VanDerWaalsContact CE1-CD 3.42Å; H218-K222 WeakPolarHBondContact CE1-CD 3.4Å; H218-K222 PolarHBondContact CE1-NZ 3.23Å; H218-K222 WeakPolarHBondContact ND1-CE 3.34Å; H218-K222 PolarHBondContact O-N 3Å; K222-G224 PolarHBondContact O-N 3.23Å; K222-H225 HydrophobicContact CB-CB 4.11Å; K222-H225 WeakPolarHBondContact CB-CD2 3.31Å; K222-H225 PolarHBondContact O-N 3.31Å
223P84.9Confident82.3Confident125 Ų12563.1 Ų63.181%0.81234%0.342SS*.THydrogen-bonded Turntrans-64.9137.4175.628.5-34000110.2H225P223-H225 VanDerWaalsContact C-N 3.31Å; P223-H225 PolarHBondContact O-CD2 3.1Å; P223-H225 PolarHBondContact O-N 3.33Å
224G82.4Confident80.4Confident44 Ų4460.2 Ų60.245%0.45433%0.333SS..THydrogen-bonded Turntrans82.7-0.9-17800000115.2A192 K222 Q227A192-G224 WeakPolarHBondContact CB-O 3.45Å; K222-G224 PolarHBondContact O-N 3.23Å; G224-Q227 WeakPolarHBondContact O-CG 3.08Å; G224-Q227 PolarHBondContact O-NE2 3.45Å
225H86.5Confident78.5Confident33 Ų3360.4 Ų60.415%0.15333%0.331CS..  trans-93.8-0176.8-70.8-113.6000114.2C190 A192 C193 H218 K222 P223 Q227C190-H225 PolarHBondContact SG-ND1 2.86Å; A192-H225 HydrophobicContact CB-CB 4.46Å; C193-H225 VanDerWaalsContact CB-CE1 3.41Å; C193-H225 WeakPolarHBondContact CB-CE1 2.97Å; C193-H225 PolarHBondContact SG-CE1 3.16Å; C193-H225 PolarHBondContact SG-ND1 2.84Å; C193-H225 VanDerWaalsContact SG-ND1 3.39Å; H218-H225 AromaticContact CD2-ND1 3.8Å; H218-H225 AromaticContact CE1-CE1 3.57Å; H218-H225 AromaticContact CE1-ND1 3.57Å; H218-H225 AromaticContact NE2-CE1 3.35Å; H218-H225 PolarHBondContact NE2-CE1 3.34Å; H218-H225 VanDerWaalsContact NE2-CE1 3.35Å; H218-H225 AromaticContact NE2-CG 3.98Å; H218-H225 AromaticContact NE2-ND1 2.94Å; H218-H225 PolarHBondContact NE2-ND1 3.04Å; K222-H225 HydrophobicContact CB-CB 4.11Å; K222-H225 WeakPolarHBondContact CB-CD2 3.31Å; K222-H225 PolarHBondContact O-N 3.31Å; P223-H225 VanDerWaalsContact C-N 3.31Å; P223-H225 PolarHBondContact O-CD2 3.1Å; P223-H225 PolarHBondContact O-N 3.33Å; H225-Q227 VanDerWaalsContact C-N 3.34Å
226K85.9Confident76.6Confident74 Ų7464.5 Ų64.532%0.32236%0.356SS..SBendtrans-9839176.6-52.9-177.8-153.6-158.50112F125 F162 M219 L220F125-K226 HydrophobicContact CE1-CB 4.35Å; F125-K226 HydrophobicContact CE1-CG 4.41Å; F125-K226 HydrophobicContact CZ-CB 4.5Å; F162-K226 WeakPolarHBondContact CD2-O 3.21Å; M219-K226 WeakPolarHBondContact O-CE 3.33Å; M219-K226 WeakPolarHBondContact O-CG 3.48Å; L220-K226 HydrophobicContact CD2-CD 4.44Å; L220-K226 WeakPolarHBondContact O-CE 3.22Å; L220-K226 PolarHBondContact O-NZ 2.89Å
227Q85.6Confident74.8Confident78 Ų7868.2 Ų68.236%0.36437%0.374SS..SBendtrans-144.3152178.265.9-169.4400109A192 G224 H225A192-Q227 HydrophobicContact CB-CG 4.3Å; A192-Q227 WeakPolarHBondContact CB-O 3.49Å; G224-Q227 WeakPolarHBondContact O-CG 3.08Å; G224-Q227 PolarHBondContact O-NE2 3.45Å; H225-Q227 VanDerWaalsContact C-N 3.34Å
228V83.8Confident73Confident11 Ų1167.8 Ų67.87%0.06737%0.371CS..  trans-70.8139.1165-174.40000107.1F162 L180 L191 F230F162-V228 HydrophobicContact CE2-CG2 3.82Å; F162-V228 HydrophobicContact CZ-CG2 3.62Å; L180-V228 HydrophobicContact CD1-CG2 4.16Å; L180-V228 HydrophobicContact CD2-CG1 4.46Å; L180-V228 HydrophobicContact CD2-CG2 4.04Å; L191-V228 HydrophobicContact CD1-CG2 4.46Å; V228-F230 WeakPolarHBondContact O-CD1 3.31Å; V228-F230 PolarHBondContact O-N 3.34Å
229W73.1Confident71.3Confident60 Ų6069.4 Ų69.423%0.22739%0.386CS..  trans-60120.7175.4-176.588.8000110.2L191 V238 A261L191-W229 PolarHBondContact O-N 3.19Å; L191-W229 VanDerWaalsContact O-N 3.16Å; W229-V238 HydrophobicContact CH2-CB 4.14Å; W229-V238 HydrophobicContact CH2-CG1 4.19Å; W229-V238 HydrophobicContact CH2-CG2 3.61Å; W229-V238 HydrophobicContact CZ2-CG2 4.07Å; W229-A261 HydrophobicContact CD2-CB 4.35Å
230F67Low69.9Low109 Ų10973.8 Ų73.848%0.47841%0.409SS..  trans-123.792.2171.164.2-85.8000106.9P165 V228 F268P165-F230 HydrophobicContact CB-CB 4.39Å; P165-F230 HydrophobicContact CG-CB 4.04Å; P165-F230 HydrophobicContact CG-CD1 4.14Å; P165-F230 HydrophobicContact CG-CG 4.34Å; V228-F230 WeakPolarHBondContact O-CD1 3.31Å; V228-F230 PolarHBondContact O-N 3.34Å; F230-F268 HydrophobicContact CB-CZ 4.3Å
231G59.9Low68.4Low31 Ų3175.1 Ų75.132%0.3242%0.416SS..  trans-68.1150.2172.200000111.2E233G231-E233 VanDerWaalsContact C-N 3.25Å
232V55.8Low66.8Low153 Ų15369.7 Ų69.793%0.92739%0.388SS*.SBendtrans-78.8-17.9165-179.70000110.6
233E52Low65.7Low110 Ų11068 Ų6851%0.51439%0.388SS..SBendtrans-83.8125.1172.1-69.7161-16300107.2G231 V238G231-E233 VanDerWaalsContact C-N 3.25Å; E233-V238 HydrophobicContact CB-CG2 3.73Å
234D51.4Low64.9Low75 Ų7566.9 Ų66.940%0.40137%0.372SS..  trans-42.5129.9177.6-173.6-18.7000107.9V236 Q237 V238D234-V236 CarbonylContact O-C 3.48Å; D234-V236 PolarHBondContact O-N 3.06Å; D234-V236 WeakPolarHBondContact OD1-CB 3.05Å; D234-V236 WeakPolarHBondContact OD1-CG2 3.38Å; D234-V236 PolarHBondContact OD1-N 3.49Å; D234-Q237 HydrophobicContact CB-CB 3.94Å; D234-Q237 VanDerWaalsContact CB-CD 3.43Å; D234-Q237 HydrophobicContact CB-CG 3.75Å; D234-Q237 CarbonylContact O-C 3.55Å; D234-Q237 VanDerWaalsContact O-CA 3.26Å; D234-Q237 WeakPolarHBondContact O-CA 3.48Å; D234-Q237 VanDerWaalsContact O-CB 3.26Å; D234-Q237 WeakPolarHBondContact O-CB 3.29Å; D234-Q237 PolarHBondContact O-N 3.39Å; D234-V238 PolarHBondContact O-N 3.35Å
235P49.7Very low63.9Low38 Ų3865.6 Ų65.625%0.24736%0.357CS..Hα-helixtrans-52.7-27175.316.8-30.8000113.7V238 A239 G265P235-V238 PolarHBondContact O-N 2.77Å; P235-A239 WeakPolarHBondContact O-CB 3.42Å; P235-A239 PolarHBondContact O-N 3.49Å; P235-G265 VanDerWaalsContact CG-CA 3.41Å
236V51.6Low62.9Low87 Ų8770.5 Ų70.553%0.52738%0.38SS..Hα-helixtrans-66.5-40.4169.5-178.50000111.3D234 A239 L240D234-V236 CarbonylContact O-C 3.48Å; D234-V236 PolarHBondContact O-N 3.06Å; D234-V236 WeakPolarHBondContact OD1-CB 3.05Å; D234-V236 WeakPolarHBondContact OD1-CG2 3.38Å; D234-V236 PolarHBondContact OD1-N 3.49Å; V236-A239 PolarHBondContact O-N 3.02Å; V236-L240 HydrophobicContact CG1-CD1 4Å; V236-L240 WeakPolarHBondContact O-CB 3.37Å; V236-L240 WeakPolarHBondContact O-CD1 3.3Å; V236-L240 VanDerWaalsContact O-CG 3.23Å; V236-L240 WeakPolarHBondContact O-CG 3.5Å; V236-L240 PolarHBondContact O-N 3.43Å
237Q53.9Low61.9Low99 Ų9975.1 Ų75.146%0.46340%0.403SS..Hα-helixtrans-65.8-39.5173.3-73.8158.4-0.700112D234 L240 L241D234-Q237 HydrophobicContact CB-CB 3.94Å; D234-Q237 VanDerWaalsContact CB-CD 3.43Å; D234-Q237 HydrophobicContact CB-CG 3.75Å; D234-Q237 CarbonylContact O-C 3.55Å; D234-Q237 VanDerWaalsContact O-CA 3.26Å; D234-Q237 WeakPolarHBondContact O-CA 3.48Å; D234-Q237 VanDerWaalsContact O-CB 3.26Å; D234-Q237 WeakPolarHBondContact O-CB 3.29Å; D234-Q237 PolarHBondContact O-N 3.39Å; Q237-L240 PolarHBondContact O-N 3.05Å; Q237-L241 WeakPolarHBondContact O-CB 3.48Å; Q237-L241 WeakPolarHBondContact O-CG 3.38Å; Q237-L241 PolarHBondContact O-N 2.89Å
238V53.8Low60.8Low20 Ų2079.2 Ų79.212%0.12142%0.422CS..Hα-helixtrans-68.1-37.9175.2176.90000111.1W229 E233 D234 P235 L241 V242W229-V238 HydrophobicContact CH2-CB 4.14Å; W229-V238 HydrophobicContact CH2-CG1 4.19Å; W229-V238 HydrophobicContact CH2-CG2 3.61Å; W229-V238 HydrophobicContact CZ2-CG2 4.07Å; E233-V238 HydrophobicContact CB-CG2 3.73Å; D234-V238 PolarHBondContact O-N 3.35Å; P235-V238 PolarHBondContact O-N 2.77Å; V238-L241 PolarHBondContact O-N 3.09Å; V238-V242 WeakPolarHBondContact O-CB 3.33Å; V238-V242 WeakPolarHBondContact O-CG2 3.48Å; V238-V242 PolarHBondContact O-N 3.03Å
239A56.1Low59.1Low48 Ų4882.1 Ų82.140%0.39744%0.437SS..Hα-helixtrans-64.8-40.5172.300000112.5P235 V236 V242 A243P235-A239 WeakPolarHBondContact O-CB 3.42Å; P235-A239 PolarHBondContact O-N 3.49Å; V236-A239 PolarHBondContact O-N 3.02Å; A239-V242 PolarHBondContact O-N 3.4Å; A239-A243 PolarHBondContact O-N 2.96Å
240L61Low58Low92 Ų9286.7 Ų86.748%0.48247%0.465SS..Hα-helixtrans-64.9-44.3174.5-75.7163.6000111.5V236 Q237 V242 A243 E244V236-L240 HydrophobicContact CG1-CD1 4Å; V236-L240 WeakPolarHBondContact O-CB 3.37Å; V236-L240 WeakPolarHBondContact O-CD1 3.3Å; V236-L240 VanDerWaalsContact O-CG 3.23Å; V236-L240 WeakPolarHBondContact O-CG 3.5Å; V236-L240 PolarHBondContact O-N 3.43Å; Q237-L240 PolarHBondContact O-N 3.05Å; L240-V242 VanDerWaalsContact C-N 3.29Å; L240-V242 PolarHBondContact O-N 3.17Å; L240-A243 PolarHBondContact O-N 3.43Å; L240-E244 WeakPolarHBondContact O-CB 3.41Å; L240-E244 VanDerWaalsContact O-CG 3.26Å; L240-E244 WeakPolarHBondContact O-CG 3.05Å; L240-E244 PolarHBondContact O-N 3.01Å
241L60.6Low57.2Low87 Ų8789.2 Ų89.246%0.45548%0.484SS..Hα-helixtrans-63.6-34.7176-72.9170.9000112.2Q237 V238 A245Q237-L241 WeakPolarHBondContact O-CB 3.48Å; Q237-L241 WeakPolarHBondContact O-CG 3.38Å; Q237-L241 PolarHBondContact O-N 2.89Å; V238-L241 PolarHBondContact O-N 3.09Å; L241-A245 WeakPolarHBondContact O-CB 2.8Å; L241-A245 PolarHBondContact O-N 3.09Å
242V60Low56.7Low15 Ų1595.1 Ų95.19%0.09151%0.508CS..Hα-helixtrans-66.3-46.8172.7169.20000110.3V238 A239 L240 A245 E246 Y257V238-V242 WeakPolarHBondContact O-CB 3.33Å; V238-V242 WeakPolarHBondContact O-CG2 3.48Å; V238-V242 PolarHBondContact O-N 3.03Å; A239-V242 PolarHBondContact O-N 3.4Å; L240-V242 VanDerWaalsContact C-N 3.29Å; L240-V242 PolarHBondContact O-N 3.17Å; V242-A245 PolarHBondContact O-N 3.22Å; V242-E246 WeakPolarHBondContact O-CB 2.87Å; V242-E246 VanDerWaalsContact O-CG 3.31Å; V242-E246 WeakPolarHBondContact O-CG 3.44Å; V242-E246 PolarHBondContact O-N 3.07Å; V242-Y257 HydrophobicContact CG1-CD2 4.06Å; V242-Y257 HydrophobicContact CG1-CE2 4.34Å; V242-Y257 HydrophobicContact CG2-CD1 4.12Å; V242-Y257 HydrophobicContact CG2-CD2 4.1Å; V242-Y257 HydrophobicContact CG2-CE1 4.41Å; V242-Y257 HydrophobicContact CG2-CE2 4.37Å; V242-Y257 HydrophobicContact CG2-CG 3.98Å
243A65.4Low56.1Low39 Ų3991.9 Ų91.932%0.32249%0.491SS..Hα-helixtrans-63.4-43.7177.100000112.5A239 L240 A245 E246 E247A239-A243 PolarHBondContact O-N 2.96Å; L240-A243 PolarHBondContact O-N 3.43Å; A243-A245 VanDerWaalsContact C-N 3.34Å; A243-A245 PolarHBondContact O-N 3.26Å; A243-E246 WeakPolarHBondContact O-CB 3.46Å; A243-E246 PolarHBondContact O-N 3.18Å; A243-E247 WeakPolarHBondContact O-CG 3.49Å; A243-E247 PolarHBondContact O-N 3.12Å
244E67.7Low56Low101 Ų10196 Ų9647%0.47251%0.511SS..Hα-helixtrans-60.7-42.4175-73.8172.517900111.1L240 E247 E248L240-E244 WeakPolarHBondContact O-CB 3.41Å; L240-E244 VanDerWaalsContact O-CG 3.26Å; L240-E244 WeakPolarHBondContact O-CG 3.05Å; L240-E244 PolarHBondContact O-N 3.01Å; E244-E247 PolarHBondContact O-N 3.06Å; E244-E248 WeakPolarHBondContact O-CG 3.33Å; E244-E248 PolarHBondContact O-N 2.81Å
245A62.1Low55.7Low17 Ų1796.6 Ų96.614%0.1451%0.513CS..Hα-helixtrans-70.9-31.4176.800000113.4L241 V242 A243 E247 L249 Y257L241-A245 WeakPolarHBondContact O-CB 2.8Å; L241-A245 PolarHBondContact O-N 3.09Å; V242-A245 PolarHBondContact O-N 3.22Å; A243-A245 VanDerWaalsContact C-N 3.34Å; A243-A245 PolarHBondContact O-N 3.26Å; A245-E247 VanDerWaalsContact C-N 3.33Å; A245-L249 WeakPolarHBondContact O-CB 3.4Å; A245-L249 WeakPolarHBondContact O-CD1 3.22Å; A245-L249 VanDerWaalsContact O-CG 3.3Å; A245-L249 WeakPolarHBondContact O-CG 3.45Å; A245-L249 PolarHBondContact O-N 3.35Å; A245-Y257 HydrophobicContact CB-CE2 4.41Å; A245-Y257 WeakPolarHBondContact CB-OH 3.2Å
246E65Low55.7Low136 Ų136100.1 Ų100.164%0.63653%0.53SS*.Hα-helixtrans-65.9-35.9171-76.1175.8179.100111.3V242 A243V242-E246 WeakPolarHBondContact O-CB 2.87Å; V242-E246 VanDerWaalsContact O-CG 3.31Å; V242-E246 WeakPolarHBondContact O-CG 3.44Å; V242-E246 PolarHBondContact O-N 3.07Å; A243-E246 WeakPolarHBondContact O-CB 3.46Å; A243-E246 PolarHBondContact O-N 3.18Å
247E64.3Low55.6Low172 Ų17299.6 Ų99.680%0.80452%0.519SS*.Hα-helixtrans-75.2-31175.7-70.8-177.8-177.600113.2A243 E244 A245A243-E247 WeakPolarHBondContact O-CG 3.49Å; A243-E247 PolarHBondContact O-N 3.12Å; E244-E247 PolarHBondContact O-N 3.06Å; A245-E247 VanDerWaalsContact C-N 3.33Å
248E61.9Low55.3Low163 Ų16396.4 Ų96.476%0.76251%0.507SS*.Hα-helixtrans-81.9-16.4-179.6-74.9-173.116800114.5E244E244-E248 WeakPolarHBondContact O-CG 3.33Å; E244-E248 PolarHBondContact O-N 2.81Å
249L49.6Very low55.2Low73 Ų73100.4 Ų100.438%0.38252%0.522SS..  trans-100.8103.7-175.6-71.1169.2000112.3A245 D251 C253 I255A245-L249 WeakPolarHBondContact O-CB 3.4Å; A245-L249 WeakPolarHBondContact O-CD1 3.22Å; A245-L249 VanDerWaalsContact O-CG 3.3Å; A245-L249 WeakPolarHBondContact O-CG 3.45Å; A245-L249 PolarHBondContact O-N 3.35Å; L249-D251 PolarHBondContact O-N 3.39Å; L249-C253 HydrophobicContact CD2-CB 4.3Å; L249-I255 HydrophobicContact CD1-CD1 3.54Å; L249-I255 HydrophobicContact CD1-CG1 3.93Å
250N49.5Very low54.8Low155 Ų15598.4 Ų98.483%0.82951%0.506SS*.  trans-56.9107162.2-65.9-64.9000110.6D252N250-D252 VanDerWaalsContact C-N 3.29Å; N250-D252 PolarHBondContact O-N 2.92Å
251D49.4Very low54.1Low163 Ų16394.7 Ų94.787%0.87249%0.489SS*.SBendtrans44.3-6.7151-100.7-17.6000123L249L249-D251 PolarHBondContact O-N 3.39Å
252D49.1Very low53.6Low154 Ų15494.8 Ų94.882%0.82449%0.489SS*.SBendtrans-138.17.3-168.9-74.2-45.4000116.9N250N250-D252 VanDerWaalsContact C-N 3.29Å; N250-D252 PolarHBondContact O-N 2.92Å
253C44.8Very low53.1Low86 Ų8694.9 Ų94.958%0.58149%0.491SS*.  trans-123.688.3178.5-73.20000111.5L249 I255L249-C253 HydrophobicContact CD2-CB 4.3Å; C253-I255 VanDerWaalsContact C-N 3.28Å; C253-I255 PolarHBondContact O-N 3.49Å
254E48.3Very low52.4Low196 Ų19693 Ų9392%0.91648%0.476SS*.  trans-60.185.8168.7-114.2-176.6176.900110N256E254-N256 PolarHBondContact O-N 2.88Å; E254-N256 VanDerWaalsContact O-N 3.09Å
255I46.8Very low51.8Low87 Ų8789 Ų8945%0.44646%0.462SS..  trans-74.399.1162.4-57.2-174.8000105.9L249 C253 Y257L249-I255 HydrophobicContact CD1-CD1 3.54Å; L249-I255 HydrophobicContact CD1-CG1 3.93Å; C253-I255 VanDerWaalsContact C-N 3.28Å; C253-I255 PolarHBondContact O-N 3.49Å; I255-Y257 HydrophobicContact CB-CD2 4.42Å; I255-Y257 HydrophobicContact CB-CE2 3.94Å; I255-Y257 HydrophobicContact CG2-CD1 4.01Å; I255-Y257 HydrophobicContact CG2-CD2 4.11Å; I255-Y257 HydrophobicContact CG2-CE1 3.63Å; I255-Y257 HydrophobicContact CG2-CE2 3.76Å; I255-Y257 HydrophobicContact CG2-CG 4.22Å; I255-Y257 VanDerWaalsContact CG2-CZ 3.49Å; I255-Y257 WeakPolarHBondContact O-CD2 3.37Å; I255-Y257 PolarHBondContact O-N 2.72Å
256N47.8Very low51.9Low113 Ų11394 Ų9460%0.60448%0.482SS*.  trans-71.278.4175.3-163.6-15.2000108.8E254E254-N256 PolarHBondContact O-N 2.88Å; E254-N256 VanDerWaalsContact O-N 3.09Å
257Y50.3Low52Low76 Ų7688 Ų8830%0.29845%0.454SS..  trans-60.7133.4169.4-65.6-71.6000107.9V242 A245 I255 K259V242-Y257 HydrophobicContact CG1-CD2 4.06Å; V242-Y257 HydrophobicContact CG1-CE2 4.34Å; V242-Y257 HydrophobicContact CG2-CD1 4.12Å; V242-Y257 HydrophobicContact CG2-CD2 4.1Å; V242-Y257 HydrophobicContact CG2-CE1 4.41Å; V242-Y257 HydrophobicContact CG2-CE2 4.37Å; V242-Y257 HydrophobicContact CG2-CG 3.98Å; A245-Y257 HydrophobicContact CB-CE2 4.41Å; A245-Y257 WeakPolarHBondContact CB-OH 3.2Å; I255-Y257 HydrophobicContact CB-CD2 4.42Å; I255-Y257 HydrophobicContact CB-CE2 3.94Å; I255-Y257 HydrophobicContact CG2-CD1 4.01Å; I255-Y257 HydrophobicContact CG2-CD2 4.11Å; I255-Y257 HydrophobicContact CG2-CE1 3.63Å; I255-Y257 HydrophobicContact CG2-CE2 3.76Å; I255-Y257 HydrophobicContact CG2-CG 4.22Å; I255-Y257 VanDerWaalsContact CG2-CZ 3.49Å; I255-Y257 WeakPolarHBondContact O-CD2 3.37Å; I255-Y257 PolarHBondContact O-N 2.72Å; Y257-K259 PolarHBondContact O-N 3Å
258P46.7Very low52.2Low32 Ų3281.9 Ų81.921%0.20843%0.425CS..  trans-59.4119.8175.417.6-24.6000110.3C193 A260 A261C193-P258 VanDerWaalsContact C-CB 3.4Å; C193-P258 WeakPolarHBondContact O-CB 3.37Å; P258-A260 PolarHBondContact O-N 2.83Å; P258-A261 HydrophobicContact CB-CB 4.38Å; P258-A261 HydrophobicContact CG-CB 3.81Å; P258-A261 WeakPolarHBondContact O-CA 3.26Å; P258-A261 WeakPolarHBondContact O-CB 3.35Å; P258-A261 PolarHBondContact O-N 3.36Å
259K51.9Low52.5Low104 Ų10476.8 Ų76.845%0.45241%0.408SS..Hα-helixtrans-53.4-25.3168.4-64.1-172.2-178.7-172.20112.1Y257 A261 L262 A263Y257-K259 PolarHBondContact O-N 3Å; K259-A261 VanDerWaalsContact C-N 3.28Å; K259-A261 PolarHBondContact O-N 3.4Å; K259-L262 WeakPolarHBondContact O-CB 3.36Å; K259-L262 PolarHBondContact O-N 2.77Å; K259-A263 PolarHBondContact O-N 2.73Å
260A49.6Very low53.8Low6 Ų679 Ų795%0.0542%0.416CS..Hα-helixtrans-65.8-22.8170.900000114.5C190 P258C190-A260 WeakPolarHBondContact O-CB 3.44Å; P258-A260 PolarHBondContact O-N 2.83Å
261A46.1Very low55.3Low14 Ų1472.5 Ų72.512%0.11638%0.38CS..Hα-helixtrans-79-31.3170.400000112.3W229 P258 K259 A263 G264W229-A261 HydrophobicContact CD2-CB 4.35Å; P258-A261 HydrophobicContact CB-CB 4.38Å; P258-A261 HydrophobicContact CG-CB 3.81Å; P258-A261 WeakPolarHBondContact O-CA 3.26Å; P258-A261 WeakPolarHBondContact O-CB 3.35Å; P258-A261 PolarHBondContact O-N 3.36Å; K259-A261 VanDerWaalsContact C-N 3.28Å; K259-A261 PolarHBondContact O-N 3.4Å; A261-A263 VanDerWaalsContact C-N 3.3Å; A261-G264 PolarHBondContact O-N 3.46Å
262L48.8Very low56.8Low89 Ų8965.6 Ų65.647%0.46634%0.342SS..Hα-helixtrans-63.7-37.9167.3-85.2139000111.3K259 G264 G265K259-L262 WeakPolarHBondContact O-CB 3.36Å; K259-L262 PolarHBondContact O-N 2.77Å; L262-G264 PolarHBondContact O-N 3.37Å; L262-G265 PolarHBondContact O-N 3.07Å
263A49.8Very low58.2Low16 Ų1661.7 Ų61.713%0.13232%0.321CS..Hα-helixtrans-63.9-23.8177.900000113.2I183 K259 A261 G265 L267I183-A263 HydrophobicContact CD1-CB 3.83Å; K259-A263 PolarHBondContact O-N 2.73Å; A261-A263 VanDerWaalsContact C-N 3.3Å; A263-G265 VanDerWaalsContact C-N 3.27Å; A263-G265 PolarHBondContact O-N 3.49Å; A263-L267 HydrophobicContact CB-CD1 3.73Å; A263-L267 HydrophobicContact CB-CG 4.13Å; A263-L267 WeakPolarHBondContact O-CB 3.26Å; A263-L267 VanDerWaalsContact O-CD1 3.31Å; A263-L267 WeakPolarHBondContact O-CD1 3.37Å; A263-L267 WeakPolarHBondContact O-CG 3.26Å; A263-L267 PolarHBondContact O-N 3.36Å
264G50.4Low59.4Low1 Ų163.1 Ų63.11%0.0132%0.319CS..Hα-helixtrans-52.7-45.7178.300000112.3A261 L262 F268A261-G264 PolarHBondContact O-N 3.46Å; L262-G264 PolarHBondContact O-N 3.37Å; G264-F268 WeakPolarHBondContact O-CD2 3.29Å; G264-F268 WeakPolarHBondContact O-CE2 3.41Å; G264-F268 WeakPolarHBondContact O-CG 3.16Å; G264-F268 PolarHBondContact O-N 3.12Å
265G56.2Low60.3Low16 Ų1658 Ų5817%0.16531%0.306CS..Hα-helixtrans-73.7-48-176.100000116.9P235 L262 A263 L267 S269P235-G265 VanDerWaalsContact CG-CA 3.41Å; L262-G265 PolarHBondContact O-N 3.07Å; A263-G265 VanDerWaalsContact C-N 3.27Å; A263-G265 PolarHBondContact O-N 3.49Å; G265-L267 VanDerWaalsContact C-N 3.33Å; G265-S269 WeakPolarHBondContact O-CB 3.38Å; G265-S269 PolarHBondContact O-N 3.32Å; G265-S269 VanDerWaalsContact O-N 3.07Å; G265-S269 PolarHBondContact O-OG 3.08Å
266E63.7Low60.8Low122 Ų12257.7 Ų57.757%0.5731%0.307SS*.Hα-helixtrans-70.3-36.3-177.3-60.1-174.9167.600110.1S269 Q270E266-S269 PolarHBondContact O-OG 3.05Å; E266-S269 VanDerWaalsContact O-OG 3.06Å; E266-Q270 WeakPolarHBondContact O-CB 3.49Å; E266-Q270 WeakPolarHBondContact O-CG 3.23Å; E266-Q270 PolarHBondContact O-N 3.02Å; E266-Q270 VanDerWaalsContact O-N 3.12Å
267L67.5Low61.1Low11 Ų1157.4 Ų57.46%0.05831%0.309CS..Hα-helixtrans-66.3-44.4176.5-67.5173.5000112.2L176 E179 L180 I183 A263 G265 F271L176-L267 HydrophobicContact CD1-CD2 4.36Å; E179-L267 HydrophobicContact CB-CD2 3.63Å; E179-L267 HydrophobicContact CG-CD2 4.23Å; L180-L267 HydrophobicContact CD2-CD1 4.18Å; I183-L267 HydrophobicContact CD1-CD1 4.39Å; A263-L267 HydrophobicContact CB-CD1 3.73Å; A263-L267 HydrophobicContact CB-CG 4.13Å; A263-L267 WeakPolarHBondContact O-CB 3.26Å; A263-L267 VanDerWaalsContact O-CD1 3.31Å; A263-L267 WeakPolarHBondContact O-CD1 3.37Å; A263-L267 WeakPolarHBondContact O-CG 3.26Å; A263-L267 PolarHBondContact O-N 3.36Å; G265-L267 VanDerWaalsContact C-N 3.33Å; L267-F271 HydrophobicContact CD2-CD2 4.12Å; L267-F271 HydrophobicContact CD2-CE2 3.82Å; L267-F271 WeakPolarHBondContact O-CD2 3.29Å; L267-F271 PolarHBondContact O-N 3.38Å
268F67.8Low61.3Low43 Ų4357.7 Ų57.719%0.18933%0.327CS..Hα-helixtrans-69.8-38.6-179.6-69.6-57.3000111.9P165 F230 G264 Y272P165-F268 HydrophobicContact CB-CE1 3.95Å; P165-F268 HydrophobicContact CB-CZ 4.09Å; P165-F268 HydrophobicContact CG-CE1 4.19Å; P165-F268 HydrophobicContact CG-CZ 4Å; F230-F268 HydrophobicContact CB-CZ 4.3Å; G264-F268 WeakPolarHBondContact O-CD2 3.29Å; G264-F268 WeakPolarHBondContact O-CE2 3.41Å; G264-F268 WeakPolarHBondContact O-CG 3.16Å; G264-F268 PolarHBondContact O-N 3.12Å; F268-Y272 HydrophobicContact CB-CD2 4.39Å; F268-Y272 HydrophobicContact CD1-CD1 4.49Å; F268-Y272 AromaticContact CD1-CD2 3.64Å; F268-Y272 HydrophobicContact CD1-CD2 3.64Å; F268-Y272 HydrophobicContact CD1-CE1 4.37Å; F268-Y272 AromaticContact CD1-CE2 3.44Å; F268-Y272 HydrophobicContact CD1-CE2 3.44Å; F268-Y272 VanDerWaalsContact CD1-CE2 3.44Å; F268-Y272 HydrophobicContact CD1-CG 4.14Å; F268-Y272 AromaticContact CD1-CZ 3.81Å; F268-Y272 HydrophobicContact CE1-CD2 4.45Å; F268-Y272 HydrophobicContact CE1-CE1 4.47Å; F268-Y272 AromaticContact CE1-CE2 3.83Å; F268-Y272 HydrophobicContact CE1-CE2 3.83Å; F268-Y272 AromaticContact CE1-CZ 3.81Å; F268-Y272 HydrophobicContact CG-CD2 4.47Å; F268-Y272 VanDerWaalsContact O-CB 3.29Å; F268-Y272 WeakPolarHBondContact O-CB 3.41Å; F268-Y272 PolarHBondContact O-N 3.21Å
269S69.2Low61.6Low56 Ų5661.9 Ų61.939%0.39236%0.355SS..Hα-helixtrans-68-35.8178.958.30000113.2G265 E266 Q274G265-S269 WeakPolarHBondContact O-CB 3.38Å; G265-S269 PolarHBondContact O-N 3.32Å; G265-S269 VanDerWaalsContact O-N 3.07Å; G265-S269 PolarHBondContact O-OG 3.08Å; E266-S269 PolarHBondContact O-OG 3.05Å; E266-S269 VanDerWaalsContact O-OG 3.06Å; S269-Q274 PolarHBondContact O-NE2 2.78Å
270Q75.5Confident61.7Low119 Ų11961.8 Ų61.856%0.55637%0.367SS*.Hα-helixtrans-82.7-40.5-175.8-68.9176.717.300113.7E266E266-Q270 WeakPolarHBondContact O-CB 3.49Å; E266-Q270 WeakPolarHBondContact O-CG 3.23Å; E266-Q270 PolarHBondContact O-N 3.02Å; E266-Q270 VanDerWaalsContact O-N 3.12Å
271F82.2Confident62.2Low18 Ų1868 Ų688%0.07939%0.393CS..Hα-helixtrans-107.3-2-169-55.7-65.9000114.6L170 T171 D172 G175 L176 E179 L267L170-F271 HydrophobicContact CD1-CB 4.23Å; T171-F271 PolarHBondContact N-O 3.45Å; T171-F271 VanDerWaalsContact OG1-C 3.31Å; T171-F271 PolarHBondContact OG1-O 3.32Å; D172-F271 HydrophobicContact CB-CD1 4.24Å; G175-F271 VanDerWaalsContact C-CE1 3.41Å; L176-F271 HydrophobicContact CB-CB 4.37Å; L176-F271 HydrophobicContact CB-CD2 4.37Å; L176-F271 HydrophobicContact CB-CG 4.2Å; L176-F271 HydrophobicContact CD1-CD2 4.1Å; E179-F271 HydrophobicContact CB-CE2 4.32Å; E179-F271 HydrophobicContact CG-CE2 3.76Å; E179-F271 HydrophobicContact CG-CZ 3.68Å; L267-F271 HydrophobicContact CD2-CD2 4.12Å; L267-F271 HydrophobicContact CD2-CE2 3.82Å; L267-F271 WeakPolarHBondContact O-CD2 3.29Å; L267-F271 PolarHBondContact O-N 3.38Å
272Y80.4Confident62.9Low19 Ų1974.6 Ų74.68%0.07543%0.425CS..BIsolated β-bridgetrans-119.7148.8-179.8-63.9-105.6000112.2V164 P165 F166 R169 L170 F268 Q274V164-Y272 WeakPolarHBondContact CG1-OH 3.22Å; P165-Y272 WeakPolarHBondContact O-CE1 3.35Å; P165-Y272 PolarHBondContact O-OH 3.03Å; P165-Y272 VanDerWaalsContact O-OH 3.09Å; F166-Y272 HydrophobicContact CB-CD1 4.36Å; F166-Y272 HydrophobicContact CB-CE1 4.22Å; F166-Y272 WeakPolarHBondContact O-CE1 3.32Å; R169-Y272 HydrophobicContact CB-CD1 3.97Å; R169-Y272 CarbonylContact O-C 3.38Å; R169-Y272 VanDerWaalsContact O-CA 3.28Å; R169-Y272 WeakPolarHBondContact O-CA 3.4Å; L170-Y272 HydrophobicContact CB-CD1 4.47Å; L170-Y272 HydrophobicContact CB-CE1 4.21Å; L170-Y272 HydrophobicContact CD1-CD2 4.4Å; L170-Y272 HydrophobicContact CD1-CE1 4.08Å; L170-Y272 HydrophobicContact CD1-CE2 3.99Å; F268-Y272 HydrophobicContact CB-CD2 4.39Å; F268-Y272 HydrophobicContact CD1-CD1 4.49Å; F268-Y272 AromaticContact CD1-CD2 3.64Å; F268-Y272 HydrophobicContact CD1-CD2 3.64Å; F268-Y272 HydrophobicContact CD1-CE1 4.37Å; F268-Y272 AromaticContact CD1-CE2 3.44Å; F268-Y272 HydrophobicContact CD1-CE2 3.44Å; F268-Y272 VanDerWaalsContact CD1-CE2 3.44Å; F268-Y272 HydrophobicContact CD1-CG 4.14Å; F268-Y272 AromaticContact CD1-CZ 3.81Å; F268-Y272 HydrophobicContact CE1-CD2 4.45Å; F268-Y272 HydrophobicContact CE1-CE1 4.47Å; F268-Y272 AromaticContact CE1-CE2 3.83Å; F268-Y272 HydrophobicContact CE1-CE2 3.83Å; F268-Y272 AromaticContact CE1-CZ 3.81Å; F268-Y272 HydrophobicContact CG-CD2 4.47Å; F268-Y272 VanDerWaalsContact O-CB 3.29Å; F268-Y272 WeakPolarHBondContact O-CB 3.41Å; F268-Y272 PolarHBondContact O-N 3.21Å; Y272-Q274 PolarHBondContact O-N 3.38Å
273D78.9Confident63.6Low71 Ų7174.3 Ų74.338%0.3842%0.423SS..  trans-68.3116.8173.2-170.98.2000110.7R169 T171 S275R169-D273 PolarHBondContact O-N 3.31Å; T171-D273 HydrophobicContact CG2-CB 3.97Å; D273-S275 VanDerWaalsContact C-N 3.31Å; D273-S275 WeakPolarHBondContact OD1-CB 3.16Å; D273-S275 PolarHBondContact OD1-N 2.73Å; D273-S275 PolarHBondContact OD1-OG 3.42Å; D273-S275 VanDerWaalsContact OD1-OG 3.07Å; D273-S275 PolarHBondContact OD2-OG 3.34Å
274Q69.4Low64.2Low116 Ų11677.3 Ų77.354%0.54244%0.443SS..  trans-85.6-3.3177-58178.923.900112.3S269 Y272 V276 V277S269-Q274 PolarHBondContact O-NE2 2.78Å; Y272-Q274 PolarHBondContact O-N 3.38Å; Q274-V276 PolarHBondContact O-N 3.03Å; Q274-V277 WeakPolarHBondContact O-CG2 3.37Å; Q274-V277 PolarHBondContact O-N 2.99Å
275S67Low64.7Low90 Ų9084.8 Ų84.863%0.62948%0.483SS*.THydrogen-bonded Turntrans-60-18.6-177.472.80000113.8D273D273-S275 VanDerWaalsContact C-N 3.31Å; D273-S275 WeakPolarHBondContact OD1-CB 3.16Å; D273-S275 PolarHBondContact OD1-N 2.73Å; D273-S275 PolarHBondContact OD1-OG 3.42Å; D273-S275 VanDerWaalsContact OD1-OG 3.07Å; D273-S275 PolarHBondContact OD2-OG 3.34Å
276V57.3Low64.9Low79 Ų7989.4 Ų89.448%0.47950%0.504SS..THydrogen-bonded Turntrans-111.337.6-179-158.70000112.2R169 Q274 A278R169-V276 PolarHBondContact NH1-O 3Å; R169-V276 VanDerWaalsContact NH1-O 3.15Å; Q274-V276 PolarHBondContact O-N 3.03Å; V276-A278 PolarHBondContact O-N 3.37Å
277V55.1Low64.8Low108 Ų10892.5 Ų92.566%0.65552%0.518SS*.  trans-75.6102.5162.2178.80000106.7Q274Q274-V277 WeakPolarHBondContact O-CG2 3.37Å; Q274-V277 PolarHBondContact O-N 2.99Å
278A54.1Low64.7Low81 Ų8198 Ų9867%0.66955%0.548SS*.  trans-53.1132.9167.400000107.5V276 S280V276-A278 PolarHBondContact O-N 3.37Å; A278-S280 PolarHBondContact O-N 2.95Å; A278-S280 VanDerWaalsContact O-N 3.07Å
279P52Low64.9Low121 Ų12198.9 Ų98.979%0.78656%0.557SS**  trans-53.6124.2-178.421-31.7000108.5F281P279-F281 PolarHBondContact O-N 3.31Å
280S55Low65.3Low102 Ų10299.8 Ų99.871%0.71355%0.552SS**  trans-54.7113.2173.950.20000107.6A278 I282A278-S280 PolarHBondContact O-N 2.95Å; A278-S280 VanDerWaalsContact O-N 3.07Å; S280-I282 PolarHBondContact O-N 2.89Å
281F60.4Low65.7Low136 Ų13698.7 Ų98.760%0.59655%0.547SS*.  trans-76.1111172.173.3-76.1000106.4P279 L283P279-F281 PolarHBondContact O-N 3.31Å; F281-L283 HydrophobicContact CD2-CD2 3.86Å; F281-L283 HydrophobicContact CD2-CG 3.79Å; F281-L283 HydrophobicContact CE2-CD1 3.68Å; F281-L283 HydrophobicContact CE2-CD2 3.55Å; F281-L283 HydrophobicContact CE2-CG 3.36Å; F281-L283 HydrophobicContact CZ-CD1 4.24Å; F281-L283 HydrophobicContact CZ-CG 4.32Å; F281-L283 PolarHBondContact O-N 2.9Å
282I61Low65.7Low152 Ų15299.6 Ų99.678%0.77955%0.554SS**  trans-73.4109.5173.4-58.8171000105.7S280S280-I282 PolarHBondContact O-N 2.89Å
283L63.3Low65.8Low83 Ų83108.3 Ų108.344%0.43559%0.587SS.*  trans-69132163.3-73.2172.4000107.2F281 D285 V292F281-L283 HydrophobicContact CD2-CD2 3.86Å; F281-L283 HydrophobicContact CD2-CG 3.79Å; F281-L283 HydrophobicContact CE2-CD1 3.68Å; F281-L283 HydrophobicContact CE2-CD2 3.55Å; F281-L283 HydrophobicContact CE2-CG 3.36Å; F281-L283 HydrophobicContact CZ-CD1 4.24Å; F281-L283 HydrophobicContact CZ-CG 4.32Å; F281-L283 PolarHBondContact O-N 2.9Å; L283-D285 PolarHBondContact O-N 3.37Å; L283-V292 HydrophobicContact CD2-CB 4.26Å; L283-V292 HydrophobicContact CD2-CG1 3.68Å; L283-V292 HydrophobicContact CD2-CG2 3.51Å
284S62.3Low65.9Low79 Ų79107.5 Ų107.555%0.55258%0.582SS**  trans-59.5125.6169.4-50.60000108.1D286S284-D286 PolarHBondContact O-N 2.91Å
285D60.5Low66.3Low159 Ų159108.5 Ų108.585%0.8560%0.598SS**  trans-66.410.8-180-65.5-37.2000113.8L283 E287L283-D285 PolarHBondContact O-N 3.37Å; D285-E287 PolarHBondContact O-N 3.45Å; D285-E287 VanDerWaalsContact O-N 3.14Å
286D61Low67.1Low113 Ų113108.6 Ų108.660%0.60460%0.599SS**  trans-66.2113.9176.2-64.7-34.9000108.8S284 D288 V289S284-D286 PolarHBondContact O-N 2.91Å; D286-D288 PolarHBondContact O-N 3.21Å; D286-V289 HydrophobicContact CB-CG2 3.91Å; D286-V289 PolarHBondContact O-N 2.88Å; D286-V289 VanDerWaalsContact O-N 3.14Å
287E60.4Low68.2Low186 Ų186107.8 Ų107.887%0.86961%0.607SS**THydrogen-bonded Turntrans-57.1-7.7-178.5-63.1-166.8157.300114.3D285D285-E287 PolarHBondContact O-N 3.45Å; D285-E287 VanDerWaalsContact O-N 3.14Å
288D65.3Low69.7Low126 Ų126106 Ų10667%0.67460%0.597SS**THydrogen-bonded Turntrans-104.86.3-176.2-70.3-41.4000115D286 Y290D286-D288 PolarHBondContact O-N 3.21Å; D288-Y290 WeakPolarHBondContact O-CD2 3.29Å; D288-Y290 WeakPolarHBondContact O-CE2 3.35Å; D288-Y290 PolarHBondContact O-N 3.22Å; D288-Y290 VanDerWaalsContact O-N 3.13Å
289V72.1Confident71.3Confident62 Ų62105.7 Ų105.738%0.37659%0.586SS.*  trans-8197.5177.8-176.80000110.9D286 E291D286-V289 HydrophobicContact CB-CG2 3.91Å; D286-V289 PolarHBondContact O-N 2.88Å; D286-V289 VanDerWaalsContact O-N 3.14Å; V289-E291 WeakPolarHBondContact CG1-O 3.32Å
290Y78.4Confident72.8Confident76 Ų76104.7 Ų104.730%0.29857%0.574SS.*  trans-88.7-8.7176.3-63-83.6000114.1D288 G301 H302 K304 M305 Y309D288-Y290 WeakPolarHBondContact O-CD2 3.29Å; D288-Y290 WeakPolarHBondContact O-CE2 3.35Å; D288-Y290 PolarHBondContact O-N 3.22Å; D288-Y290 VanDerWaalsContact O-N 3.13Å; Y290-G301 CarbonylContact O-C 3.59Å; Y290-H302 HydrophobicContact CD1-CB 4.13Å; Y290-H302 VanDerWaalsContact O-CB 3.25Å; Y290-H302 WeakPolarHBondContact O-CB 3.28Å; Y290-H302 PolarHBondContact O-N 2.92Å; Y290-K304 HydrophobicContact CE1-CB 4.38Å; Y290-K304 HydrophobicContact CE1-CD 4.43Å; Y290-M305 WeakPolarHBondContact CB-SD 3.35Å; Y290-M305 HydrophobicContact CD1-CE 3.71Å; Y290-M305 HydrophobicContact CD1-CG 3.67Å; Y290-M305 HydrophobicContact CD1-SD 4.02Å; Y290-M305 HydrophobicContact CD2-CE 3.27Å; Y290-M305 HydrophobicContact CD2-SD 4.26Å; Y290-M305 HydrophobicContact CE1-CE 4.15Å; Y290-M305 HydrophobicContact CE1-CG 4.35Å; Y290-M305 HydrophobicContact CE2-CE 3.8Å; Y290-M305 HydrophobicContact CG-CE 3.23Å; Y290-M305 HydrophobicContact CG-CG 3.96Å; Y290-M305 HydrophobicContact CG-SD 3.64Å; Y290-Y309 PolarHBondContact O-OH 3.41Å
291E84.2Confident74.4Confident95 Ų95101.8 Ų101.844%0.44456%0.56SS.*EExtended strand (participates in β ladder)trans-135.7131.1-179.2-68.1-178.6-175.400110.7V289 V299 L300 Y309V289-E291 WeakPolarHBondContact CG1-O 3.32Å; E291-V299 HydrophobicContact CB-CG1 4.07Å; E291-V299 HydrophobicContact CG-CG1 4.38Å; E291-L300 CarbonylContact C-O 3.35Å; E291-L300 WeakPolarHBondContact CA-O 3.47Å; E291-Y309 HydrophobicContact CG-CE1 4.42Å; E291-Y309 VanDerWaalsContact CG-OH 3.22Å; E291-Y309 WeakPolarHBondContact CG-OH 3.35Å; E291-Y309 WeakPolarHBondContact OE1-CE1 3.46Å
292V82.4Confident75.7Confident37 Ų3799.1 Ų99.122%0.22455%0.549CS..EExtended strand (participates in β ladder)trans-113.5124.1177.3-179.80000108.7L283 V299 L300L283-V292 HydrophobicContact CD2-CB 4.26Å; L283-V292 HydrophobicContact CD2-CG1 3.68Å; L283-V292 HydrophobicContact CD2-CG2 3.51Å; V292-V299 CarbonylContact O-C 3.6Å; V292-V299 WeakPolarHBondContact O-CA 3.4Å; V292-L300 HydrophobicContact CB-CB 4.47Å; V292-L300 PolarHBondContact N-O 2.97Å; V292-L300 PolarHBondContact O-N 3.25Å
293R81.1Confident76.9Confident202 Ų202102 Ų10276%0.76255%0.55SS**EExtended strand (participates in β ladder)trans-96.1116.3174.3-62.3-168.5175176.2-0.6109.5V299R293-V299 HydrophobicContact CG-CG1 4.46Å; R293-V299 HydrophobicContact CG-CG2 4.15Å
294L80.8Confident77.9Confident55 Ų55105.6 Ų105.629%0.28856%0.562SS.*  trans-77155.1176.3-72.6144.9000110.8S296 G297 T298 L300L294-S296 WeakPolarHBondContact CB-OG 3.47Å; L294-S296 PolarHBondContact O-N 3.48Å; L294-S296 VanDerWaalsContact O-N 3.08Å; L294-G297 PolarHBondContact O-N 3.07Å; L294-T298 WeakPolarHBondContact CD1-OG1 3.41Å; L294-T298 PolarHBondContact N-O 3.4Å; L294-L300 HydrophobicContact CD1-CD1 3.6Å; L294-L300 HydrophobicContact CD1-CD2 4.35Å; L294-L300 HydrophobicContact CD1-CG 3.65Å; L294-L300 HydrophobicContact CG-CD1 4.42Å
295P79.5Confident79Confident136 Ų136104 Ų10488%0.88355%0.547SS*.THydrogen-bonded Turntrans-55.9-23.7169.9-26.135000113.7G297P295-G297 PolarHBondContact O-N 3.46Å
296S83.9Confident80.3Confident92 Ų92103.2 Ų103.264%0.64353%0.532SS*.THydrogen-bonded Turntrans-70.9-4.9172.861.70000114.2L294 T298L294-S296 WeakPolarHBondContact CB-OG 3.47Å; L294-S296 PolarHBondContact O-N 3.48Å; L294-S296 VanDerWaalsContact O-N 3.08Å; S296-T298 VanDerWaalsContact C-N 3.27Å; S296-T298 PolarHBondContact O-N 3.38Å; S296-T298 PolarHBondContact OG-OG1 2.82Å
297G80.7Confident81.5Confident63 Ų63102.6 Ų102.665%0.64953%0.533SS*.SBendtrans82.9-3-17700000114.5L294 P295L294-G297 PolarHBondContact O-N 3.07Å; P295-G297 PolarHBondContact O-N 3.46Å
298T85.9Confident82.8Confident71 Ų7198 Ų9844%0.43651%0.513SS..PPolyproline II helixtrans-77.7137.7176.751.70000111.2L294 S296L294-T298 WeakPolarHBondContact CD1-OG1 3.41Å; L294-T298 PolarHBondContact N-O 3.4Å; S296-T298 VanDerWaalsContact C-N 3.27Å; S296-T298 PolarHBondContact O-N 3.38Å; S296-T298 PolarHBondContact OG-OG1 2.82Å
299V86.3Confident83.9Confident74 Ų7496.2 Ų96.245%0.44850%0.497SS..EExtended strand (participates in β ladder)trans-102.7118.8177.7-171.40000108.9E291 V292 R293E291-V299 HydrophobicContact CB-CG1 4.07Å; E291-V299 HydrophobicContact CG-CG1 4.38Å; V292-V299 CarbonylContact O-C 3.6Å; V292-V299 WeakPolarHBondContact O-CA 3.4Å; R293-V299 HydrophobicContact CG-CG1 4.46Å; R293-V299 HydrophobicContact CG-CG2 4.15Å
300L84.9Confident84.6Confident99 Ų9999.3 Ų99.352%0.51851%0.506SS..EExtended strand (participates in β ladder)trans-99.2118.9175.2-64.5-177.3000110E291 V292 L294E291-L300 CarbonylContact C-O 3.35Å; E291-L300 WeakPolarHBondContact CA-O 3.47Å; V292-L300 HydrophobicContact CB-CB 4.47Å; V292-L300 PolarHBondContact N-O 2.97Å; V292-L300 PolarHBondContact O-N 3.25Å; L294-L300 HydrophobicContact CD1-CD1 3.6Å; L294-L300 HydrophobicContact CD1-CD2 4.35Å; L294-L300 HydrophobicContact CD1-CG 3.65Å; L294-L300 HydrophobicContact CG-CD1 4.42Å
301G87.5Confident85Confident42 Ų42101.1 Ų101.143%0.43352%0.517SS..EExtended strand (participates in β ladder)trans-85.9147.5175.700000113.1Y290 Y309Y290-G301 CarbonylContact O-C 3.59Å; G301-Y309 VanDerWaalsContact CA-CE2 3.44Å
302H87.4Confident84.8Confident79 Ų79105.4 Ų105.437%0.36654%0.537SS..PPolyproline II helixtrans-73.4143.2178.8-170.1-90.8000111.7Y290 K304 M305Y290-H302 HydrophobicContact CD1-CB 4.13Å; Y290-H302 VanDerWaalsContact O-CB 3.25Å; Y290-H302 WeakPolarHBondContact O-CB 3.28Å; Y290-H302 PolarHBondContact O-N 2.92Å; H302-K304 VanDerWaalsContact CE1-CG 3.44Å; H302-K304 WeakPolarHBondContact CE1-CG 3.44Å; H302-K304 VanDerWaalsContact ND1-CB 3.34Å; H302-K304 WeakPolarHBondContact ND1-CB 3.29Å; H302-K304 PolarHBondContact ND1-N 2.78Å; H302-K304 VanDerWaalsContact ND1-N 3.14Å; H302-K304 PolarHBondContact O-N 2.93Å; H302-K304 VanDerWaalsContact O-N 3.12Å; H302-M305 PolarHBondContact O-N 3.02Å
303R87.1Confident84.5Confident213 Ų213110.6 Ų110.680%0.80456%0.562SS**G310 helixtrans-58.7-30.8-176.9-171178177-174.30.2113.2M305 R306R303-M305 VanDerWaalsContact C-N 3.26Å; R303-M305 PolarHBondContact O-N 3.24Å; R303-R306 VanDerWaalsContact O-CB 3.23Å; R303-R306 WeakPolarHBondContact O-CB 3.15Å; R303-R306 PolarHBondContact O-N 3.29Å
304K84.8Confident83.9Confident158 Ų158105.1 Ų105.169%0.68756%0.56SS**G310 helixtrans-60.9-31.8175-70.5172.7-177.3173.60112.5Y290 H302Y290-K304 HydrophobicContact CE1-CB 4.38Å; Y290-K304 HydrophobicContact CE1-CD 4.43Å; H302-K304 VanDerWaalsContact CE1-CG 3.44Å; H302-K304 WeakPolarHBondContact CE1-CG 3.44Å; H302-K304 VanDerWaalsContact ND1-CB 3.34Å; H302-K304 WeakPolarHBondContact ND1-CB 3.29Å; H302-K304 PolarHBondContact ND1-N 2.78Å; H302-K304 VanDerWaalsContact ND1-N 3.14Å; H302-K304 PolarHBondContact O-N 2.93Å; H302-K304 VanDerWaalsContact O-N 3.12Å
305M85.3Confident83.1Confident47 Ų47106.7 Ų106.723%0.23258%0.581CS.*G310 helixtrans-92.510.2179-76.8-161.5176.700113.9Y290 H302 R303 T307 I308 Y309Y290-M305 WeakPolarHBondContact CB-SD 3.35Å; Y290-M305 HydrophobicContact CD1-CE 3.71Å; Y290-M305 HydrophobicContact CD1-CG 3.67Å; Y290-M305 HydrophobicContact CD1-SD 4.02Å; Y290-M305 HydrophobicContact CD2-CE 3.27Å; Y290-M305 HydrophobicContact CD2-SD 4.26Å; Y290-M305 HydrophobicContact CE1-CE 4.15Å; Y290-M305 HydrophobicContact CE1-CG 4.35Å; Y290-M305 HydrophobicContact CE2-CE 3.8Å; Y290-M305 HydrophobicContact CG-CE 3.23Å; Y290-M305 HydrophobicContact CG-CG 3.96Å; Y290-M305 HydrophobicContact CG-SD 3.64Å; H302-M305 PolarHBondContact O-N 3.02Å; R303-M305 VanDerWaalsContact C-N 3.26Å; R303-M305 PolarHBondContact O-N 3.24Å; M305-T307 PolarHBondContact O-N 3Å; M305-T307 VanDerWaalsContact O-N 3.09Å; M305-I308 HydrophobicContact CG-CD1 4.07Å; M305-I308 WeakPolarHBondContact O-CB 3.47Å; M305-I308 PolarHBondContact O-N 2.88Å; M305-I308 HydrophobicContact SD-CD1 4.3Å; M305-Y309 VanDerWaalsContact C-CD2 3.5Å; M305-Y309 HydrophobicContact CB-CD2 3.91Å; M305-Y309 HydrophobicContact CB-CE1 4.24Å; M305-Y309 HydrophobicContact CB-CE2 3.27Å; M305-Y309 VanDerWaalsContact CB-CZ 3.47Å; M305-Y309 WeakPolarHBondContact O-CD2 3.43Å; M305-Y309 PolarHBondContact O-N 3.17Å
306R86.8Confident81.8Confident142 Ų142106 Ų10654%0.53657%0.574SS.*Hα-helixtrans-53.5-34.9179.9-174.6-179.4-170.4-162.42.8113.5R303 K310R303-R306 VanDerWaalsContact O-CB 3.23Å; R303-R306 WeakPolarHBondContact O-CB 3.15Å; R303-R306 PolarHBondContact O-N 3.29Å; R306-K310 HydrophobicContact CG-CD 4.28Å; R306-K310 WeakPolarHBondContact O-CB 3.39Å; R306-K310 VanDerWaalsContact O-CG 3.26Å; R306-K310 WeakPolarHBondContact O-CG 3.34Å; R306-K310 PolarHBondContact O-N 2.73Å
307T86.9Confident80.2Confident100 Ų100109 Ų10961%0.61358%0.584SS**Hα-helixtrans-67.6-40.8177.848.30000111.6M305 Q311M305-T307 PolarHBondContact O-N 3Å; M305-T307 VanDerWaalsContact O-N 3.09Å; T307-Q311 WeakPolarHBondContact O-CG 3.39Å
308I87Confident78.6Confident89 Ų89115.2 Ų115.246%0.45659%0.593SS.*Hα-helixtrans-68.3-48.2177.9-56.3176.8000109.9M305 K310 Q311M305-I308 HydrophobicContact CG-CD1 4.07Å; M305-I308 WeakPolarHBondContact O-CB 3.47Å; M305-I308 PolarHBondContact O-N 2.88Å; M305-I308 HydrophobicContact SD-CD1 4.3Å; I308-K310 PolarHBondContact O-N 2.89Å; I308-K310 VanDerWaalsContact O-N 3.14Å; I308-Q311 WeakPolarHBondContact O-CB 3.46Å; I308-Q311 PolarHBondContact O-N 3.34Å
309Y88.7Confident76.5Confident88 Ų88116 Ų11635%0.34561%0.606SS.*Hα-helixtrans-63.3-22.4179.9-58.8-44.5000114.2Y290 E291 G301 M305Y290-Y309 PolarHBondContact O-OH 3.41Å; E291-Y309 HydrophobicContact CG-CE1 4.42Å; E291-Y309 VanDerWaalsContact CG-OH 3.22Å; E291-Y309 WeakPolarHBondContact CG-OH 3.35Å; E291-Y309 WeakPolarHBondContact OE1-CE1 3.46Å; G301-Y309 VanDerWaalsContact CA-CE2 3.44Å; M305-Y309 VanDerWaalsContact C-CD2 3.5Å; M305-Y309 HydrophobicContact CB-CD2 3.91Å; M305-Y309 HydrophobicContact CB-CE1 4.24Å; M305-Y309 HydrophobicContact CB-CE2 3.27Å; M305-Y309 VanDerWaalsContact CB-CZ 3.47Å; M305-Y309 WeakPolarHBondContact O-CD2 3.43Å; M305-Y309 PolarHBondContact O-N 3.17Å
310K87.5Confident74.4Confident128 Ų128121.6 Ų121.656%0.55762%0.624SS**THydrogen-bonded Turntrans-85.5-9.1174.7-76-178.3173.2-1660113.6R306 I308 H312R306-K310 HydrophobicContact CG-CD 4.28Å; R306-K310 WeakPolarHBondContact O-CB 3.39Å; R306-K310 VanDerWaalsContact O-CG 3.26Å; R306-K310 WeakPolarHBondContact O-CG 3.34Å; R306-K310 PolarHBondContact O-N 2.73Å; I308-K310 PolarHBondContact O-N 2.89Å; I308-K310 VanDerWaalsContact O-N 3.14Å; K310-H312 PolarHBondContact O-N 3.41Å
311Q86.6Confident72.4Confident114 Ų114123.9 Ų123.953%0.53364%0.636SS.*  trans-73.9112.3179.2-71.8172.85.400109.8T307 I308 L313T307-Q311 WeakPolarHBondContact O-CG 3.39Å; I308-Q311 WeakPolarHBondContact O-CB 3.46Å; I308-Q311 PolarHBondContact O-N 3.34Å; Q311-L313 HydrophobicContact CB-CG 4.49Å; Q311-L313 PolarHBondContact O-N 3.45Å
312H80.8Confident70.2Confident185 Ų185126.6 Ų126.686%0.85665%0.649SS**  trans-90.488.2163.2-68-81.5000108.1K310 A314K310-H312 PolarHBondContact O-N 3.41Å; H312-A314 PolarHBondContact O-N 2.94Å
313L74.8Confident67.9Low146 Ų146130.5 Ų130.576%0.76467%0.672SS**  trans-70.4112.3171.7-63176.1000107.9Q311 A315Q311-L313 HydrophobicContact CB-CG 4.49Å; Q311-L313 PolarHBondContact O-N 3.45Å; L313-A315 PolarHBondContact O-N 3.35Å
314A69.7Low65.9Low86 Ų86130.8 Ų130.871%0.71167%0.673SS**  trans-58.7131.4168.700000108.1H312 T316H312-A314 PolarHBondContact O-N 2.94Å; A314-T316 PolarHBondContact O-N 2.91Å
315A62.5Low64.1Low89 Ų89130.7 Ų130.774%0.73668%0.68SS**  trans-55.5109.5170.300000107.3L313 D317L313-A315 PolarHBondContact O-N 3.35Å; A315-D317 PolarHBondContact O-N 2.98Å; A315-D317 VanDerWaalsContact O-N 3.11Å
316T53Low62.3Low120 Ų120135.7 Ų135.774%0.73671%0.708SS**  trans-67.4115.8179.447.90000108.2A314 K318A314-T316 PolarHBondContact O-N 2.91Å; T316-K318 PolarHBondContact O-N 3.31Å
317D49.7Very low60.4Low157 Ų157133 Ų13384%0.8473%0.725SS**THydrogen-bonded Turntrans-61.219.5178.7-68.3-39.9000115.3A315A315-D317 PolarHBondContact O-N 2.98Å; A315-D317 VanDerWaalsContact O-N 3.11Å
318K47Very low58.4Low193 Ų193136.7 Ų136.784%0.83974%0.735SS**THydrogen-bonded Turntrans-104.78.1-179.1-67.4-172.1179.9178.60114.4T316 K320T316-K318 PolarHBondContact O-N 3.31Å; K318-K320 PolarHBondContact O-N 3.45Å
319A43.4Very low56.1Low86 Ų86142.1 Ų142.171%0.71176%0.755SS**  trans-75.961.4158.900000109.8L321A319-L321 VanDerWaalsContact C-N 3.28Å; A319-L321 PolarHBondContact O-N 2.9Å
320K40.5Very low54.1Low193 Ų193142.7 Ų142.784%0.83977%0.772SS**  trans-66.599.8160.3-80.1-172177.4-176.40106.2K318 S322K318-K320 PolarHBondContact O-N 3.45Å; K320-S322 PolarHBondContact O-N 3.46Å
321L43.3Very low52.1Low146 Ų146142.9 Ų142.976%0.76478%0.783SS**  trans-47.8105.6165.7-71.7151.1000107.8A319 D323A319-L321 VanDerWaalsContact C-N 3.28Å; A319-L321 PolarHBondContact O-N 2.9Å; L321-D323 PolarHBondContact O-N 2.86Å
322S42.5Very low50.2Low100 Ų100142.3 Ų142.370%0.69979%0.791SS**  trans-72.9104.7156.556.40000105.7K320 R324K320-S322 PolarHBondContact O-N 3.46Å; S322-R324 PolarHBondContact O-N 3.44Å
323D38.9Very low48.7Very low161 Ų161139.3 Ų139.386%0.86179%0.785SS**  trans-54.3110.5164.4-95.5-29.2000107.5L321L321-D323 PolarHBondContact O-N 2.86Å
324R44.4Very low47.5Very low219 Ų219143.5 Ų143.583%0.82679%0.791SS**  trans-104.1117.7157.3-70.2-17385.1173.64.9105.4S322 N326S322-R324 PolarHBondContact O-N 3.44Å; R324-N326 PolarHBondContact O-N 3.4Å
325D47Very low46.5Very low155 Ų155150 Ų15083%0.82980%0.797SS**SBendtrans-40.9132.3163.8-73.4-40.5000109.4
326N48Very low46.1Very low152 Ų152150.3 Ų150.381%0.81379%0.791SS**SBendtrans94.164.8-173-54.7-24.8000116.1R324 Q328R324-N326 PolarHBondContact O-N 3.4Å; N326-Q328 PolarHBondContact O-N 2.95Å
327G46.1Very low46.1Very low86 Ų86151 Ų15189%0.88779%0.79SS**SBend57.7-1.8123.400000121.7
328Q44.8Very low46.4Very low178 Ų178151.3 Ų151.383%0.83279%0.785SS**  trans-126.9101.3-177.7-75-179.9-15.500109.8N326 S330N326-Q328 PolarHBondContact O-N 2.95Å; Q328-S330 PolarHBondContact O-N 3.18Å
329K38.9Very low46.9Very low203 Ų203149.7 Ų149.788%0.88378%0.778SS**  trans-75.5100.6175-66.2178.6-178.9177.30109.2
330S47.8Very low47.7Very low99 Ų99147.7 Ų147.769%0.69276%0.761SS**  trans-98126.5165.5590000110Q328 C332Q328-S330 PolarHBondContact O-N 3.18Å; S330-C332 PolarHBondContact O-N 3.12Å
331V44.8Very low48.6Very low132 Ų132143 Ų14380%0.875%0.745SS**  trans-85.5103.1175.9177.40000108.3V333V331-V333 HydrophobicContact CG1-CG2 3.99Å; V331-V333 PolarHBondContact O-N 3.21Å
332C46.5Very low49.3Very low103 Ų103141.6 Ų141.670%0.69674%0.736SS**  trans-86.292173.3-48.40000109.4S330 R334S330-C332 PolarHBondContact O-N 3.12Å; C332-R334 PolarHBondContact O-N 3.14Å
333V49.4Very low50.1Low121 Ų121142.3 Ų142.373%0.73373%0.728SS**  trans-73.593.4167.2-176.50000108.2V331 R335V331-V333 HydrophobicContact CG1-CG2 3.99Å; V331-V333 PolarHBondContact O-N 3.21Å; V333-R335 PolarHBondContact O-N 3.37Å; V333-R335 VanDerWaalsContact O-N 3.17Å
334R48.9Very low51Low234 Ų234143.5 Ų143.588%0.88372%0.722SS**  trans-74.2102.6164.6-74.7-167.9178.7178.20.9108C332 P336C332-R334 PolarHBondContact O-N 3.14Å; R334-P336 WeakPolarHBondContact O-CD 3.4Å
335R50Low51.8Low224 Ų224141.1 Ų141.185%0.84571%0.713SS**PPolyproline II helixtrans-54.3119.5164.7-79.3178.8169.4168.5-3107.7V333 D337V333-R335 PolarHBondContact O-N 3.37Å; V333-R335 VanDerWaalsContact O-N 3.17Å; R335-D337 PolarHBondContact O-N 3.15Å
336P52.3Low52.5Low94 Ų94136.8 Ų136.861%0.6169%0.694SS**PPolyproline II helixtrans-66.8130.2170.727-29.5000107.6R334 F338R334-P336 WeakPolarHBondContact O-CD 3.4Å; P336-F338 PolarHBondContact O-N 3.07Å
337D53.3Low53.6Low134 Ų134133.9 Ų133.972%0.71768%0.679SS**PPolyproline II helixtrans-48.5136177.1-78.8-37.5000110.5R335 K339 A340 L341R335-D337 PolarHBondContact O-N 3.15Å; D337-K339 PolarHBondContact O-N 2.9Å; D337-A340 WeakPolarHBondContact O-CB 3.15Å; D337-A340 PolarHBondContact O-N 2.91Å; D337-L341 PolarHBondContact O-N 2.92Å
338F57Low54.8Low164 Ų164131.8 Ų131.872%0.71965%0.653SS**Hα-helixtrans-50.3-29.8-178.3-166.6-94.6000112.7P336 L341 M342P336-F338 PolarHBondContact O-N 3.07Å; F338-L341 PolarHBondContact O-N 3.46Å; F338-M342 HydrophobicContact CD1-CG 4.21Å; F338-M342 HydrophobicContact CE1-CG 3.97Å; F338-M342 PolarHBondContact O-N 2.87Å; F338-M342 VanDerWaalsContact O-N 3.12Å
339K57.4Low56.2Low160 Ų160128 Ų12870%0.69664%0.639SS**Hα-helixtrans-63.9-39.6176.4-161.9173.4-174.4177.70113.1D337 M342 Q343D337-K339 PolarHBondContact O-N 2.9Å; K339-M342 PolarHBondContact O-N 3.48Å; K339-Q343 PolarHBondContact O-N 2.91Å; K339-Q343 VanDerWaalsContact O-N 3.15Å
340A59.8Low58Low44 Ų44120.9 Ų120.936%0.36462%0.615SS.*Hα-helixtrans-69.4-35.7177.700000111.5D337 Q343 Y344D337-A340 WeakPolarHBondContact O-CB 3.15Å; D337-A340 PolarHBondContact O-N 2.91Å; A340-Q343 PolarHBondContact O-N 2.8Å; A340-Y344 PolarHBondContact O-N 3.44Å
341L58.6Low59.7Low95 Ų95122.4 Ų122.450%0.49761%0.611SS.*Hα-helixtrans-67.5-40.7177.2-154.397000111.9D337 F338 Y344 R345D337-L341 PolarHBondContact O-N 2.92Å; F338-L341 PolarHBondContact O-N 3.46Å; L341-Y344 PolarHBondContact O-N 3.02Å; L341-R345 PolarHBondContact O-N 3.25Å
342M58.5Low61.5Low115 Ų115124.5 Ų124.557%0.56760%0.604SS**Hα-helixtrans-64-42.5175.7-80.9-75.8-103.200112.1F338 K339 Y344 R345 S346F338-M342 HydrophobicContact CD1-CG 4.21Å; F338-M342 HydrophobicContact CE1-CG 3.97Å; F338-M342 PolarHBondContact O-N 2.87Å; F338-M342 VanDerWaalsContact O-N 3.12Å; K339-M342 PolarHBondContact O-N 3.48Å; M342-Y344 VanDerWaalsContact C-N 3.35Å; M342-Y344 PolarHBondContact O-N 2.91Å; M342-R345 PolarHBondContact O-N 3.46Å; M342-S346 PolarHBondContact O-N 3Å
343Q59.1Low63.3Low115 Ų115126.2 Ų126.254%0.53760%0.597SS.*Hα-helixtrans-64-38.2174.8-82.9175-28.900112.5K339 A340 S346 N347K339-Q343 PolarHBondContact O-N 2.91Å; K339-Q343 VanDerWaalsContact O-N 3.15Å; A340-Q343 PolarHBondContact O-N 2.8Å; Q343-S346 PolarHBondContact O-N 3.33Å; Q343-S346 PolarHBondContact O-OG 2.95Å; Q343-N347 WeakPolarHBondContact O-CB 3.44Å; Q343-N347 PolarHBondContact O-N 3.46Å; Q343-N347 PolarHBondContact O-ND2 3.09Å; Q343-N347 PolarHBondContact O-OD1 2.95Å
344Y57.7Low65Low187 Ų187125.1 Ų125.173%0.73359%0.586SS**Hα-helixtrans-65-38.8174.9-106.5-87.3000112.5A340 L341 M342 N347 A348A340-Y344 PolarHBondContact O-N 3.44Å; L341-Y344 PolarHBondContact O-N 3.02Å; M342-Y344 VanDerWaalsContact C-N 3.35Å; M342-Y344 PolarHBondContact O-N 2.91Å; Y344-N347 PolarHBondContact O-N 3.02Å; Y344-A348 WeakPolarHBondContact O-CB 3.34Å; Y344-A348 PolarHBondContact O-N 2.94Å
345R61.1Low67Low169 Ų169118 Ų11864%0.63857%0.566SS**Hα-helixtrans-65-46.4174.5-92.8-175.7174.6-176-1.8112.2L341 M342 N347 A348 D349L341-R345 PolarHBondContact O-N 3.25Å; M342-R345 PolarHBondContact O-N 3.46Å; R345-N347 VanDerWaalsContact C-N 3.26Å; R345-N347 PolarHBondContact O-N 2.95Å; R345-A348 PolarHBondContact O-N 2.74Å; R345-D349 PolarHBondContact O-N 3.22Å
346S62.9Low68.9Low63 Ų63113.7 Ų113.744%0.44156%0.555SS.*Hα-helixtrans-61.9-36.2177.364.90000112.4M342 Q343 S350M342-S346 PolarHBondContact O-N 3Å; Q343-S346 PolarHBondContact O-N 3.33Å; Q343-S346 PolarHBondContact O-OG 2.95Å; S346-S350 WeakPolarHBondContact O-CB 3.38Å; S346-S350 PolarHBondContact O-N 3.2Å; S346-S350 PolarHBondContact O-OG 2.65Å
347N70.3Confident70.7Confident92 Ų92113 Ų11349%0.49254%0.544SS..Hα-helixtrans-70-40.5176.3-68.9-2.8000111.7Q343 Y344 R345 S350 E351Q343-N347 WeakPolarHBondContact O-CB 3.44Å; Q343-N347 PolarHBondContact O-N 3.46Å; Q343-N347 PolarHBondContact O-ND2 3.09Å; Q343-N347 PolarHBondContact O-OD1 2.95Å; Y344-N347 PolarHBondContact O-N 3.02Å; R345-N347 VanDerWaalsContact C-N 3.26Å; R345-N347 PolarHBondContact O-N 2.95Å; N347-S350 VanDerWaalsContact CA-OG 3.3Å; N347-S350 WeakPolarHBondContact CA-OG 3.4Å; N347-S350 PolarHBondContact O-N 3.01Å; N347-S350 PolarHBondContact O-OG 2.98Å; N347-E351 WeakPolarHBondContact O-CB 3.23Å; N347-E351 WeakPolarHBondContact O-CG 3.35Å; N347-E351 PolarHBondContact O-N 3.07Å
348A70.7Confident72.6Confident41 Ų41114 Ų11434%0.33954%0.538SS..Hα-helixtrans-66.6-39.6176.500000112.5Y344 R345 E351 R352Y344-A348 WeakPolarHBondContact O-CB 3.34Å; Y344-A348 PolarHBondContact O-N 2.94Å; R345-A348 PolarHBondContact O-N 2.74Å; A348-E351 PolarHBondContact O-N 3.14Å; A348-R352 WeakPolarHBondContact O-CB 3.42Å; A348-R352 WeakPolarHBondContact O-CG 3.34Å; A348-R352 PolarHBondContact O-N 2.89Å
349D74.7Confident74.3Confident99 Ų99113.5 Ų113.553%0.52954%0.535SS..Hα-helixtrans-69.4-37.8177.5-70-23.8000111.3R345 R352 Y353R345-D349 PolarHBondContact O-N 3.22Å; D349-R352 PolarHBondContact O-N 3.27Å; D349-Y353 WeakPolarHBondContact O-CB 3.44Å; D349-Y353 PolarHBondContact O-N 3.24Å
350S78.2Confident75.9Confident54 Ų54113 Ų11338%0.37853%0.53SS..Hα-helixtrans-69.1-39.5173.452.20000112.7S346 N347 Y353 L354S346-S350 WeakPolarHBondContact O-CB 3.38Å; S346-S350 PolarHBondContact O-N 3.2Å; S346-S350 PolarHBondContact O-OG 2.65Å; N347-S350 VanDerWaalsContact CA-OG 3.3Å; N347-S350 WeakPolarHBondContact CA-OG 3.4Å; N347-S350 PolarHBondContact O-N 3.01Å; N347-S350 PolarHBondContact O-OG 2.98Å; S350-Y353 PolarHBondContact O-N 2.81Å; S350-L354 WeakPolarHBondContact O-CB 3.3Å; S350-L354 VanDerWaalsContact O-CG 3.23Å; S350-L354 WeakPolarHBondContact O-CG 3.44Å; S350-L354 PolarHBondContact O-N 2.92Å
351E83.4Confident77.3Confident131 Ų131119 Ų11961%0.61254%0.544SS*.Hα-helixtrans-63.7-39.8172.6-81.5-17417000112.4N347 A348 L354 N355N347-E351 WeakPolarHBondContact O-CB 3.23Å; N347-E351 WeakPolarHBondContact O-CG 3.35Å; N347-E351 PolarHBondContact O-N 3.07Å; A348-E351 PolarHBondContact O-N 3.14Å; E351-L354 PolarHBondContact O-N 3.19Å; E351-N355 WeakPolarHBondContact O-CB 3.41Å; E351-N355 PolarHBondContact O-N 3.4Å
352R81.7Confident78.9Confident175 Ų175119.4 Ų119.466%0.6655%0.546SS*.Hα-helixtrans-61.9-49.3174.1-80.1179.9179.5-165.50.3111.2A348 D349 L354 N355 E356A348-R352 WeakPolarHBondContact O-CB 3.42Å; A348-R352 WeakPolarHBondContact O-CG 3.34Å; A348-R352 PolarHBondContact O-N 2.89Å; D349-R352 PolarHBondContact O-N 3.27Å; R352-L354 VanDerWaalsContact C-N 3.34Å; R352-L354 PolarHBondContact O-N 3.23Å; R352-N355 PolarHBondContact O-N 3.17Å; R352-E356 PolarHBondContact O-N 2.94Å
353Y83.3Confident80.5Confident140 Ų140119.5 Ų119.555%0.54955%0.548SS..Hα-helixtrans-59.5-44.4177.1179.5-100.1000111.9D349 S350 N355 E356 Q357D349-Y353 WeakPolarHBondContact O-CB 3.44Å; D349-Y353 PolarHBondContact O-N 3.24Å; S350-Y353 PolarHBondContact O-N 2.81Å; Y353-N355 VanDerWaalsContact C-N 3.34Å; Y353-N355 PolarHBondContact O-N 3.14Å; Y353-E356 PolarHBondContact O-N 3.14Å; Y353-Q357 HydrophobicContact CD1-CG 4.22Å; Y353-Q357 HydrophobicContact CE1-CG 3.82Å; Y353-Q357 HydrophobicContact CE2-CG 4.33Å; Y353-Q357 WeakPolarHBondContact O-CB 3.26Å; Y353-Q357 WeakPolarHBondContact O-CG 3.23Å; Y353-Q357 PolarHBondContact O-N 2.85Å; Y353-Q357 PolarHBondContact OH-NE2 3.37Å
354L86.8Confident82Confident97 Ų97116.4 Ų116.451%0.50854%0.537SS..Hα-helixtrans-62.7-38.7176.1-74.1172.2000112.1S350 E351 R352 R358S350-L354 WeakPolarHBondContact O-CB 3.3Å; S350-L354 VanDerWaalsContact O-CG 3.23Å; S350-L354 WeakPolarHBondContact O-CG 3.44Å; S350-L354 PolarHBondContact O-N 2.92Å; E351-L354 PolarHBondContact O-N 3.19Å; R352-L354 VanDerWaalsContact C-N 3.34Å; R352-L354 PolarHBondContact O-N 3.23Å; L354-R358 WeakPolarHBondContact O-CB 3.4Å; L354-R358 PolarHBondContact O-N 3.49Å
355N90.5Very high83.5Confident86 Ų86110 Ų11046%0.4652%0.518SS..Hα-helixtrans-69.9-37.5175.9-88.4-17.9000112.9E351 R352 Y353 R358 K359E351-N355 WeakPolarHBondContact O-CB 3.41Å; E351-N355 PolarHBondContact O-N 3.4Å; R352-N355 PolarHBondContact O-N 3.17Å; Y353-N355 VanDerWaalsContact C-N 3.34Å; Y353-N355 PolarHBondContact O-N 3.14Å; N355-R358 PolarHBondContact O-N 3.29Å; N355-K359 WeakPolarHBondContact O-CG 3.18Å; N355-K359 PolarHBondContact O-N 3.49Å
356E90Very high84.8Confident132 Ų132103.8 Ų103.862%0.61751%0.506SS*.Hα-helixtrans-64.6-44.6173.3-75.4178.7175.600111.5R352 Y353 R358 K359 Y360R352-E356 PolarHBondContact O-N 2.94Å; Y353-E356 PolarHBondContact O-N 3.14Å; E356-R358 VanDerWaalsContact C-N 3.33Å; E356-R358 PolarHBondContact O-N 3.05Å; E356-K359 PolarHBondContact O-N 3.36Å; E356-Y360 WeakPolarHBondContact O-CB 3.48Å; E356-Y360 PolarHBondContact O-N 2.93Å
357Q89.4Confident86Confident81 Ų81105.1 Ų105.138%0.37951%0.511SS..Hα-helixtrans-59.4-42.8173.5-75.2-69.8-32.600111.7Y353 Y360 W361Y353-Q357 HydrophobicContact CD1-CG 4.22Å; Y353-Q357 HydrophobicContact CE1-CG 3.82Å; Y353-Q357 HydrophobicContact CE2-CG 4.33Å; Y353-Q357 WeakPolarHBondContact O-CB 3.26Å; Y353-Q357 WeakPolarHBondContact O-CG 3.23Å; Y353-Q357 PolarHBondContact O-N 2.85Å; Y353-Q357 PolarHBondContact OH-NE2 3.37Å; Q357-Y360 PolarHBondContact O-N 2.85Å; Q357-W361 WeakPolarHBondContact O-CB 3.25Å; Q357-W361 PolarHBondContact O-N 3.49Å
358R93.3Very high86.6Confident154 Ų154107 Ų10758%0.58152%0.517SS*.Hα-helixtrans-62.2-48.2177.3-141.2-174.7-57.8-1162.9111.7L354 N355 E356 Y360 W361 D362L354-R358 WeakPolarHBondContact O-CB 3.4Å; L354-R358 PolarHBondContact O-N 3.49Å; N355-R358 PolarHBondContact O-N 3.29Å; E356-R358 VanDerWaalsContact C-N 3.33Å; E356-R358 PolarHBondContact O-N 3.05Å; R358-Y360 VanDerWaalsContact C-N 3.32Å; R358-Y360 PolarHBondContact O-N 3.04Å; R358-W361 PolarHBondContact O-N 3.15Å; R358-D362 PolarHBondContact O-N 3.12Å
359K92Very high87.4Confident153 Ų153105.8 Ų105.867%0.66551%0.509SS*.Hα-helixtrans-60.7-39.9175.9-73.2177.1-177.2-179.50112.4N355 E356 L363N355-K359 WeakPolarHBondContact O-CG 3.18Å; N355-K359 PolarHBondContact O-N 3.49Å; E356-K359 PolarHBondContact O-N 3.36Å; K359-L363 WeakPolarHBondContact O-CB 3.45Å; K359-L363 PolarHBondContact O-N 3.49Å
360Y91.7Very high87.7Confident150 Ų150105.5 Ų105.559%0.58851%0.507SS*.Hα-helixtrans-63.6-46.8175.2178.3-98.4000110.9E356 Q357 R358 D362 L363 V364E356-Y360 WeakPolarHBondContact O-CB 3.48Å; E356-Y360 PolarHBondContact O-N 2.93Å; Q357-Y360 PolarHBondContact O-N 2.85Å; R358-Y360 VanDerWaalsContact C-N 3.32Å; R358-Y360 PolarHBondContact O-N 3.04Å; Y360-D362 PolarHBondContact O-N 2.82Å; Y360-L363 WeakPolarHBondContact O-CB 3.42Å; Y360-L363 PolarHBondContact O-N 2.93Å; Y360-V364 HydrophobicContact CD1-CG2 4.15Å; Y360-V364 HydrophobicContact CD2-CG2 4.38Å; Y360-V364 HydrophobicContact CE1-CG2 3.73Å; Y360-V364 HydrophobicContact CE2-CG2 4Å; Y360-V364 HydrophobicContact CG-CG2 4.46Å; Y360-V364 WeakPolarHBondContact O-CG2 3.46Å; Y360-V364 PolarHBondContact O-N 3.36Å
361W90.2Very high87.8Confident170 Ų170111.5 Ų111.564%0.64453%0.527SS*.Hα-helixtrans-60.5-44.2176.7-123.992.2000112.4Q357 R358 L363 V364 T365Q357-W361 WeakPolarHBondContact O-CB 3.25Å; Q357-W361 PolarHBondContact O-N 3.49Å; R358-W361 PolarHBondContact O-N 3.15Å; W361-L363 VanDerWaalsContact C-N 3.32Å; W361-L363 PolarHBondContact O-N 3.5Å; W361-V364 PolarHBondContact O-N 3.13Å; W361-T365 HydrophobicContact CD2-CG2 4.27Å; W361-T365 HydrophobicContact CE3-CG2 3.2Å; W361-T365 HydrophobicContact CH2-CG2 4.14Å; W361-T365 HydrophobicContact CZ3-CG2 3.13Å; W361-T365 WeakPolarHBondContact O-CB 3.37Å; W361-T365 WeakPolarHBondContact O-CG2 3.33Å; W361-T365 PolarHBondContact O-N 2.93Å; W361-T365 PolarHBondContact O-OG1 3.21Å
362D92.3Very high87.6Confident104 Ų104112 Ų11256%0.55653%0.529SS*.Hα-helixtrans-62.3-38.9176-70.9-19.6000111.7R358 Y360 T365 G366R358-D362 PolarHBondContact O-N 3.12Å; Y360-D362 PolarHBondContact O-N 2.82Å; D362-T365 WeakPolarHBondContact CA-OG1 3.05Å; D362-T365 PolarHBondContact O-OG1 3.36Å; D362-G366 PolarHBondContact O-N 3.46Å
363L92.3Very high87.5Confident116 Ų116110.5 Ų110.561%0.60753%0.534SS*.Hα-helixtrans-65.6-50.5175.3-169.893.6000111.4K359 Y360 W361 G366 V367K359-L363 WeakPolarHBondContact O-CB 3.45Å; K359-L363 PolarHBondContact O-N 3.49Å; Y360-L363 WeakPolarHBondContact O-CB 3.42Å; Y360-L363 PolarHBondContact O-N 2.93Å; W361-L363 VanDerWaalsContact C-N 3.32Å; W361-L363 PolarHBondContact O-N 3.5Å; L363-G366 PolarHBondContact O-N 2.86Å; L363-V367 VanDerWaalsContact O-CG2 3.29Å; L363-V367 WeakPolarHBondContact O-CG2 3.09Å; L363-V367 PolarHBondContact O-N 3.27Å
364V89.8Confident87.4Confident50 Ų50110.5 Ų110.530%0.30353%0.533SS..Hα-helixtrans-62.7-46-177.9174.50000110.8Y360 W361 V367 Q368Y360-V364 HydrophobicContact CD1-CG2 4.15Å; Y360-V364 HydrophobicContact CD2-CG2 4.38Å; Y360-V364 HydrophobicContact CE1-CG2 3.73Å; Y360-V364 HydrophobicContact CE2-CG2 4Å; Y360-V364 HydrophobicContact CG-CG2 4.46Å; Y360-V364 WeakPolarHBondContact O-CG2 3.46Å; Y360-V364 PolarHBondContact O-N 3.36Å; W361-V364 PolarHBondContact O-N 3.13Å; V364-V367 PolarHBondContact O-N 3.08Å; V364-Q368 PolarHBondContact O-N 3.39Å
365T88.8Confident87Confident53 Ų53111.6 Ų111.633%0.32554%0.539SS..Hα-helixtrans-67.4-36.5176.551.90000112.8W361 D362 G369W361-T365 HydrophobicContact CD2-CG2 4.27Å; W361-T365 HydrophobicContact CE3-CG2 3.2Å; W361-T365 HydrophobicContact CH2-CG2 4.14Å; W361-T365 HydrophobicContact CZ3-CG2 3.13Å; W361-T365 WeakPolarHBondContact O-CB 3.37Å; W361-T365 WeakPolarHBondContact O-CG2 3.33Å; W361-T365 PolarHBondContact O-N 2.93Å; W361-T365 PolarHBondContact O-OG1 3.21Å; D362-T365 WeakPolarHBondContact CA-OG1 3.05Å; D362-T365 PolarHBondContact O-OG1 3.36Å; T365-G369 WeakPolarHBondContact O-CA 3.37Å; T365-G369 PolarHBondContact O-N 3.11Å
366G89.5Confident86.6Confident38 Ų38116.3 Ų116.339%0.39256%0.557SS.*Hα-helixtrans-63-41.7174.100000112.3D362 L363 G369 N370D362-G366 PolarHBondContact O-N 3.46Å; L363-G366 PolarHBondContact O-N 2.86Å; G366-G369 PolarHBondContact O-N 2.91Å; G366-N370 PolarHBondContact O-N 2.75Å
367V86.4Confident86.1Confident91 Ų91115.1 Ų115.155%0.55256%0.555SS**Hα-helixtrans-68.1-44.8177.8173.70000111.5L363 V364 G369 N370L363-V367 VanDerWaalsContact O-CG2 3.29Å; L363-V367 WeakPolarHBondContact O-CG2 3.09Å; L363-V367 PolarHBondContact O-N 3.27Å; V364-V367 PolarHBondContact O-N 3.08Å; V367-G369 VanDerWaalsContact C-N 3.35Å; V367-N370 PolarHBondContact O-N 2.85Å
368Q83.3Confident85.7Confident133 Ų133122.2 Ų122.262%0.62158%0.578SS**Hα-helixtrans-66.6-37.3173.4-80.8176.7-34.300112.2V364 N370 F371 H372V364-Q368 PolarHBondContact O-N 3.39Å; Q368-N370 VanDerWaalsContact C-N 3.25Å; Q368-N370 PolarHBondContact O-N 3.39Å; Q368-F371 PolarHBondContact O-N 3.03Å; Q368-H372 PolarHBondContact O-N 2.93Å
369G87.1Confident85.2Confident15 Ų15123.9 Ų123.916%0.15558%0.584CS.*Hα-helixtrans-61.7-31.6176.600000112.6T365 G366 V367 F371 H372 N373T365-G369 WeakPolarHBondContact O-CA 3.37Å; T365-G369 PolarHBondContact O-N 3.11Å; G366-G369 PolarHBondContact O-N 2.91Å; V367-G369 VanDerWaalsContact C-N 3.35Å; G369-F371 VanDerWaalsContact C-N 3.27Å; G369-F371 PolarHBondContact O-N 3.32Å; G369-H372 PolarHBondContact O-N 2.94Å; G369-N373 WeakPolarHBondContact O-CB 3.22Å; G369-N373 VanDerWaalsContact O-CG 3.27Å; G369-N373 PolarHBondContact O-N 3.41Å; G369-N373 PolarHBondContact O-ND2 3.17Å
370N82.7Confident84.9Confident93 Ų93126 Ų12650%0.49760%0.597SS.*Hα-helixtrans-61.5-33173-92.6-26000113G366 V367 Q368 R374G366-N370 PolarHBondContact O-N 2.75Å; V367-N370 PolarHBondContact O-N 2.85Å; Q368-N370 VanDerWaalsContact C-N 3.25Å; Q368-N370 PolarHBondContact O-N 3.39Å; N370-R374 WeakPolarHBondContact O-CB 3.44Å; N370-R374 WeakPolarHBondContact O-CD 3.37Å; N370-R374 VanDerWaalsContact O-CG 3.22Å; N370-R374 WeakPolarHBondContact O-CG 3.39Å
371F79.8Confident84.3Confident179 Ų179130.7 Ų130.779%0.78562%0.615SS**Hα-helixtrans-77-43.2174.5-93.6-85.9000111.8Q368 G369Q368-F371 PolarHBondContact O-N 3.03Å; G369-F371 VanDerWaalsContact C-N 3.27Å; G369-F371 PolarHBondContact O-N 3.32Å
372H80.1Confident84Confident142 Ų142128.7 Ų128.766%0.65761%0.613SS**Hα-helixtrans-73.6-42.8-177.1-113.2-23.7000113.2Q368 G369 R374 L375Q368-H372 PolarHBondContact O-N 2.93Å; G369-H372 PolarHBondContact O-N 2.94Å; H372-R374 VanDerWaalsContact C-N 3.27Å; H372-R374 PolarHBondContact O-N 3Å; H372-L375 VanDerWaalsContact O-CD1 3.32Å; H372-L375 WeakPolarHBondContact O-CD1 3.21Å; H372-L375 WeakPolarHBondContact O-CG 3.45Å
373N79.4Confident83.5Confident143 Ų143130 Ų13077%0.76562%0.616SS**THydrogen-bonded Turntrans-77.5-13.8-177-62.5-22.6000112.7G369G369-N373 WeakPolarHBondContact O-CB 3.22Å; G369-N373 VanDerWaalsContact O-CG 3.27Å; G369-N373 PolarHBondContact O-N 3.41Å; G369-N373 PolarHBondContact O-ND2 3.17Å
374R80.8Confident83Confident140 Ų140130.8 Ų130.853%0.52862%0.617SS.*THydrogen-bonded Turntrans-105.318.9179.8-63.5-178.5151.1-170.3-2.3113.8N370 H372 H376 L377N370-R374 WeakPolarHBondContact O-CB 3.44Å; N370-R374 WeakPolarHBondContact O-CD 3.37Å; N370-R374 VanDerWaalsContact O-CG 3.22Å; N370-R374 WeakPolarHBondContact O-CG 3.39Å; H372-R374 VanDerWaalsContact C-N 3.27Å; H372-R374 PolarHBondContact O-N 3Å; R374-H376 PolarHBondContact O-N 3.01Å; R374-L377 HydrophobicContact CB-CB 3.84Å; R374-L377 HydrophobicContact CB-CD2 4.48Å; R374-L377 HydrophobicContact CG-CB 4.34Å; R374-L377 HydrophobicContact CG-CD1 4.29Å; R374-L377 HydrophobicContact CG-CD2 4.35Å; R374-L377 WeakPolarHBondContact O-CB 3.45Å; R374-L377 PolarHBondContact O-N 3.25Å
375L77.2Confident82.7Confident121 Ų121135.5 Ų135.563%0.63464%0.635SS**THydrogen-bonded Turntrans-51.9-29.8177.1-84.9163.6000113.9H372H372-L375 VanDerWaalsContact O-CD1 3.32Å; H372-L375 WeakPolarHBondContact O-CD1 3.21Å; H372-L375 WeakPolarHBondContact O-CG 3.45Å
376H82.1Confident82.3Confident184 Ų184140.7 Ų140.785%0.85266%0.655SS**THydrogen-bonded Turntrans-117.321.1179.3-57.9-53.2000113.5R374 R378R374-H376 PolarHBondContact O-N 3.01Å; H376-R378 PolarHBondContact O-N 3.18Å; H376-R378 VanDerWaalsContact O-N 3.08Å
377L80.9Confident81.8Confident107 Ų107147.5 Ų147.556%0.5667%0.672SS**  trans-69.6110.2-179-16387.1000110.3R374R374-L377 HydrophobicContact CB-CB 3.84Å; R374-L377 HydrophobicContact CB-CD2 4.48Å; R374-L377 HydrophobicContact CG-CB 4.34Å; R374-L377 HydrophobicContact CG-CD1 4.29Å; R374-L377 HydrophobicContact CG-CD2 4.35Å; R374-L377 WeakPolarHBondContact O-CB 3.45Å; R374-L377 PolarHBondContact O-N 3.25Å
378R81.1Confident81.5Confident231 Ų231151.6 Ų151.687%0.87268%0.681SS**  trans-79.3127.6172.2-153.9179.5-156.3-166.34.9109H376 Q380H376-R378 PolarHBondContact O-N 3.18Å; H376-R378 VanDerWaalsContact O-N 3.08Å; R378-Q380 PolarHBondContact O-N 3.38Å
379R82.6Confident81.3Confident189 Ų189153 Ų15371%0.71369%0.685SS**  trans-65.9122.5170.4-76.2-173176.3177.8-2.2109Y381R379-Y381 HydrophobicContact CB-CD2 3.92Å; R379-Y381 HydrophobicContact CB-CE2 3.61Å; R379-Y381 VanDerWaalsContact CD-OH 3.26Å; R379-Y381 WeakPolarHBondContact CD-OH 3.4Å; R379-Y381 HydrophobicContact CG-CE2 4.22Å; R379-Y381 PolarHBondContact NH1-OH 2.7Å
380Q85.3Confident80.8Confident197 Ų197164.5 Ų164.592%0.92173%0.73SS**  trans-84.3109.1163.9-68.4179.5-14.600106.2R378R378-Q380 PolarHBondContact O-N 3.38Å
381Y78.3Confident80.7Confident248 Ų248171 Ų17197%0.97375%0.751SS**  trans-99.90166.1-74-75.4000108.7R379R379-Y381 HydrophobicContact CB-CD2 3.92Å; R379-Y381 HydrophobicContact CB-CE2 3.61Å; R379-Y381 VanDerWaalsContact CD-OH 3.26Å; R379-Y381 WeakPolarHBondContact CD-OH 3.4Å; R379-Y381 HydrophobicContact CG-CE2 4.22Å; R379-Y381 PolarHBondContact NH1-OH 2.7Å

Retrieved 381 of 381 residues in 437.6 ms (Link to these results)

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