A0A060XLJ2_ONCMY Loading...

Crystallin, zeta (quinone reductase)-like 1

AlphaFold DB , UniProt , Accession A0A060XLJ2, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110495941, Length 353 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
1M84.9Confident81.8Confident75 Ų7563.4 Ų63.437%0.36932%0.323SS..  0158.10-63.2-172.7-68.200108T22 V24 E101 A102M1-T22 PolarHBondContact N-O 3.07Å; M1-T22 PolarHBondContact O-N 2.83Å; M1-V24 HydrophobicContact CE-CB 3.48Å; M1-V24 VanDerWaalsContact CE-CB 3.48Å; M1-V24 HydrophobicContact CE-CG1 4.3Å; M1-V24 HydrophobicContact CE-CG2 2.98Å; M1-E101 HydrophobicContact CB-CB 4.36Å; M1-E101 VanDerWaalsContact CB-OE2 3.25Å; M1-E101 WeakPolarHBondContact CB-OE2 3.47Å; M1-E101 HydrophobicContact CG-CB 4.33Å; M1-E101 WeakPolarHBondContact CG-OE2 3.48Å; M1-E101 HydrophobicContact SD-CB 3.67Å; M1-A102 HydrophobicContact CE-CB 3.67Å; M1-A102 HydrophobicContact SD-CB 4.16Å
2K86.6Confident79.6Confident119 Ų11963.9 Ų63.952%0.51735%0.345SS..EExtended strand (participates in β ladder)trans-94.3138.7179.1-70.9-179.5-178179.70110.1I19 Q20 C100K2-I19 HydrophobicContact CB-CG2 3.75Å; K2-I19 HydrophobicContact CD-CG2 4.05Å; K2-I19 HydrophobicContact CG-CG2 4.09Å; K2-Q20 WeakPolarHBondContact CA-O 3.47Å; K2-C100 WeakPolarHBondContact O-CA 3.31Å; K2-C100 PolarHBondContact O-SG 2.91Å
3G90.6Very high78.1Confident1 Ų166.7 Ų66.71%0.0138%0.382CS..EExtended strand (participates in β ladder)trans-133.2148.8175.900000111.4Y5 I19 Q20 L99G3-Y5 WeakPolarHBondContact O-CD2 3.41Å; G3-I19 WeakPolarHBondContact O-CA 3.5Å; G3-Q20 PolarHBondContact N-O 2.89Å; G3-Q20 PolarHBondContact O-N 3.08Å; G3-L99 WeakPolarHBondContact CA-O 3.29Å
4L94Very high77.3Confident0 Ų069.2 Ų69.20%039%0.388CS..EExtended strand (participates in β ladder)trans-89.2130.1174.2-170.868.8000110.9F17 I19 V62 S97 L99 A333 M337L4-F17 HydrophobicContact CD1-CB 4.25Å; L4-I19 HydrophobicContact CD1-CG1 3.91Å; L4-V62 HydrophobicContact CB-CB 4.33Å; L4-V62 HydrophobicContact CD2-CB 4.23Å; L4-V62 HydrophobicContact CD2-CG1 4.04Å; L4-V62 HydrophobicContact CD2-CG2 4.41Å; L4-V62 HydrophobicContact CG-CB 4.21Å; L4-V62 HydrophobicContact CG-CG2 4.16Å; L4-V62 WeakPolarHBondContact O-CB 3.45Å; L4-V62 PolarHBondContact O-N 2.87Å; L4-V62 VanDerWaalsContact O-N 3.14Å; L4-S97 PolarHBondContact N-OG 3.05Å; L4-S97 WeakPolarHBondContact O-CB 3.28Å; L4-S97 PolarHBondContact O-OG 3Å; L4-L99 HydrophobicContact CB-CB 3.91Å; L4-L99 HydrophobicContact CB-CD1 3.85Å; L4-L99 HydrophobicContact CD2-CD1 3.55Å; L4-L99 HydrophobicContact CG-CD1 4.28Å; L4-L99 PolarHBondContact N-O 3.47Å; L4-A333 HydrophobicContact CD2-CB 4.06Å; L4-M337 HydrophobicContact CD2-CB 4.06Å; L4-M337 HydrophobicContact CD2-CG 4.41Å
5Y94.2Very high77.2Confident15 Ų1565.9 Ų65.96%0.05937%0.374CS..EExtended strand (participates in β ladder)trans-131.1153.4179.6-66.3-95.1000110.6G3 F17 V18 Q20 T22 L59 V60 P61G3-Y5 WeakPolarHBondContact O-CD2 3.41Å; Y5-F17 CarbonylContact O-C 3.54Å; Y5-F17 WeakPolarHBondContact O-CA 3.46Å; Y5-V18 PolarHBondContact N-O 2.76Å; Y5-V18 PolarHBondContact O-N 3.12Å; Y5-Q20 HydrophobicContact CD2-CB 3.78Å; Y5-Q20 HydrophobicContact CD2-CG 4.2Å; Y5-Q20 HydrophobicContact CE2-CB 4.12Å; Y5-T22 PolarHBondContact OH-OG1 2.99Å; Y5-L59 HydrophobicContact CD1-CB 4.04Å; Y5-L59 HydrophobicContact CG-CB 4.32Å; Y5-V60 CarbonylContact C-O 3.59Å; Y5-V60 WeakPolarHBondContact CA-O 3.14Å; Y5-P61 HydrophobicContact CD1-CB 4.14Å; Y5-P61 HydrophobicContact CE1-CB 3.92Å
6C93.1Very high78Confident1 Ų171.1 Ų71.11%0.00739%0.391CS..EExtended strand (participates in β ladder)trans-98.8119.7169.3174.30000108.9F17 L45 L59 V60 V62C6-F17 HydrophobicContact CB-CD1 3.92Å; C6-F17 HydrophobicContact CB-CE1 3.78Å; C6-L45 HydrophobicContact CB-CD1 3.41Å; C6-L45 VanDerWaalsContact CB-CD1 3.41Å; C6-L59 WeakPolarHBondContact O-CA 3.29Å; C6-V60 HydrophobicContact CB-CB 4.28Å; C6-V60 PolarHBondContact N-O 3.03Å; C6-V60 PolarHBondContact O-N 2.66Å; C6-V62 HydrophobicContact CB-CG2 4.26Å
7K90.3Very high78.9Confident127 Ų12767.8 Ų67.855%0.55237%0.371SS*.EExtended strand (participates in β ladder)trans-84.6115.6167.2-172.9175.2-178.4177.20108.2G9 K16 V18 L59K7-G9 PolarHBondContact O-N 2.83Å; K7-K16 PolarHBondContact N-O 3.39Å; K7-K16 PolarHBondContact O-N 3.45Å; K7-K16 VanDerWaalsContact O-N 3.09Å; K7-V18 HydrophobicContact CB-CG2 4.44Å; K7-L59 HydrophobicContact CB-CD2 4.11Å
8V79.9Confident79.6Confident62 Ų6266.3 Ų66.338%0.37637%0.365SS..  trans-72.4125.3-179.7-1710000108.5L47 V60V8-L47 HydrophobicContact CG2-CD2 4.19Å; V8-V60 HydrophobicContact CG2-CG2 3.73Å
9G69.2Low80.3Confident30 Ų3066.6 Ų66.631%0.30937%0.365SS..  trans-81.7-170.5171.900000111.8K7 T11K7-G9 PolarHBondContact O-N 2.83Å; G9-T11 PolarHBondContact O-N 2.87Å
10E58.7Low80.8Confident193 Ų19367.4 Ų67.490%0.90237%0.366SS*.SBendtrans-68.8-24174.5-69.7-176.2174.400111.2E14E10-E14 PolarHBondContact N-OE2 2.86Å; E10-E14 VanDerWaalsContact N-OE2 3.14Å
11T58.1Low81.1Confident74 Ų7472 Ų7245%0.45439%0.385SS..SBendtrans-126.8156.9171.566.70000112G9 A13 E14G9-T11 PolarHBondContact O-N 2.87Å; T11-A13 PolarHBondContact O-N 3.27Å; T11-A13 VanDerWaalsContact O-N 3.16Å; T11-E14 PolarHBondContact O-N 3.34Å; T11-E14 WeakPolarHBondContact OG1-CG 3.36Å
12A55.6Low81.1Confident70 Ų7069.5 Ų69.558%0.57937%0.374SS*.G310 helixtrans-60.6-23.6177.200000113.6E14 A15 L47A12-E14 VanDerWaalsContact C-N 3.29Å; A12-A15 WeakPolarHBondContact O-CB 3.35Å; A12-L47 HydrophobicContact CB-CD1 4.3Å
13A59.8Low80.9Confident100 Ų10071 Ų7183%0.82639%0.388SS*.G310 helixtrans-75.2-16.1176.500000113.5T11T11-A13 PolarHBondContact O-N 3.27Å; T11-A13 VanDerWaalsContact O-N 3.16Å
14E66.7Low80.5Confident102 Ų10272.1 Ų72.148%0.47739%0.394SS..G310 helixtrans-97.36.5179.4-68.5175.317000113.3E10 T11 A12 K16E10-E14 PolarHBondContact N-OE2 2.86Å; E10-E14 VanDerWaalsContact N-OE2 3.14Å; T11-E14 PolarHBondContact O-N 3.34Å; T11-E14 WeakPolarHBondContact OG1-CG 3.36Å; A12-E14 VanDerWaalsContact C-N 3.29Å; E14-K16 PolarHBondContact O-N 3.19Å
15A76.5Confident79.9Confident20 Ų2075.2 Ų75.217%0.16541%0.414CS..  trans-54.4122176.300000110.9A12 L47A12-A15 WeakPolarHBondContact O-CB 3.35Å; A15-L47 HydrophobicContact CB-CD1 4.01Å
16K89.6Confident79.2Confident149 Ų14978.6 Ų78.665%0.64844%0.44SS*.EExtended strand (participates in β ladder)trans-112.7129177.8-72.9-178.4-176.9177.40110.4K7 E14K7-K16 PolarHBondContact N-O 3.39Å; K7-K16 PolarHBondContact O-N 3.45Å; K7-K16 VanDerWaalsContact O-N 3.09Å; E14-K16 PolarHBondContact O-N 3.19Å
17F92.8Very high78.9Confident14 Ų1485 Ų856%0.06148%0.475CS..EExtended strand (participates in β ladder)trans-86.4129.6175.5-60.6-77.7000110L4 Y5 C6 L45 V62 T334 M337 E338 Q341L4-F17 HydrophobicContact CD1-CB 4.25Å; Y5-F17 CarbonylContact O-C 3.54Å; Y5-F17 WeakPolarHBondContact O-CA 3.46Å; C6-F17 HydrophobicContact CB-CD1 3.92Å; C6-F17 HydrophobicContact CB-CE1 3.78Å; F17-L45 HydrophobicContact CE1-CD1 4.05Å; F17-V62 HydrophobicContact CD1-CG2 3.86Å; F17-V62 HydrophobicContact CE1-CG2 4.05Å; F17-T334 HydrophobicContact CB-CG2 3.85Å; F17-T334 WeakPolarHBondContact O-CG2 3.32Å; F17-M337 HydrophobicContact CD1-CB 4.28Å; F17-M337 HydrophobicContact CD1-CG 3.51Å; F17-M337 HydrophobicContact CD2-CB 4.41Å; F17-M337 HydrophobicContact CD2-CG 4.14Å; F17-M337 HydrophobicContact CE1-CB 4.42Å; F17-M337 HydrophobicContact CE1-CE 3.97Å; F17-M337 HydrophobicContact CE1-CG 3.28Å; F17-M337 HydrophobicContact CE1-SD 4.37Å; F17-M337 HydrophobicContact CE2-CG 3.95Å; F17-M337 HydrophobicContact CG-CB 4.26Å; F17-M337 HydrophobicContact CG-CG 3.93Å; F17-M337 HydrophobicContact CZ-CE 3.83Å; F17-M337 HydrophobicContact CZ-CG 3.53Å; F17-E338 HydrophobicContact CD2-CG 3.67Å; F17-E338 HydrophobicContact CE2-CG 4.17Å; F17-Q341 HydrophobicContact CE2-CB 4.06Å; F17-Q341 HydrophobicContact CE2-CG 4.39Å; F17-Q341 HydrophobicContact CZ-CB 4Å; F17-Q341 HydrophobicContact CZ-CG 4.15Å
18V93Very high79Confident42 Ų4280.1 Ų80.126%0.25545%0.454SS..EExtended strand (participates in β ladder)trans-137.9137.8-174.6-66.10000110.4Y5 K7 Q20 L59Y5-V18 PolarHBondContact N-O 2.76Å; Y5-V18 PolarHBondContact O-N 3.12Å; K7-V18 HydrophobicContact CB-CG2 4.44Å; V18-Q20 HydrophobicContact CG2-CG 4.11Å; V18-L59 HydrophobicContact CG2-CD2 4.06Å
19I91.8Very high79.6Confident71 Ų7178.7 Ų78.736%0.36445%0.452SS..EExtended strand (participates in β ladder)trans-82.8126.2170.9-61.7175.4000107.9K2 G3 L4K2-I19 HydrophobicContact CB-CG2 3.75Å; K2-I19 HydrophobicContact CD-CG2 4.05Å; K2-I19 HydrophobicContact CG-CG2 4.09Å; G3-I19 WeakPolarHBondContact O-CA 3.5Å; L4-I19 HydrophobicContact CD1-CG1 3.91Å
20Q89.9Confident80.9Confident82 Ų8279.8 Ų79.838%0.38346%0.455SS..EExtended strand (participates in β ladder)trans-121.3147.2179.2-68.8-70.5-21.400110.4K2 G3 Y5 V18 L59K2-Q20 WeakPolarHBondContact CA-O 3.47Å; G3-Q20 PolarHBondContact N-O 2.89Å; G3-Q20 PolarHBondContact O-N 3.08Å; Y5-Q20 HydrophobicContact CD2-CB 3.78Å; Y5-Q20 HydrophobicContact CD2-CG 4.2Å; Y5-Q20 HydrophobicContact CE2-CB 4.12Å; V18-Q20 HydrophobicContact CG2-CG 4.11Å; Q20-L59 HydrophobicContact CG-CD1 4.02Å
21E88.8Confident82.6Confident165 Ų16573.4 Ų73.477%0.77143%0.427SS*.EExtended strand (participates in β ladder)trans-72.4132.8166.4-68.5-168.9167.100109.5
22T84.1Confident84.5Confident22 Ų2273.1 Ų73.114%0.13542%0.421CS..  trans-132.5143.6178.9-172.90000110.4M1 Y5 C100M1-T22 PolarHBondContact N-O 3.07Å; M1-T22 PolarHBondContact O-N 2.83Å; Y5-T22 PolarHBondContact OH-OG1 2.99Å; T22-C100 VanDerWaalsContact CG2-SG 3.56Å
23N82.9Confident86.4Confident152 Ų15269.8 Ų69.881%0.81339%0.393SS*.PPolyproline II helixtrans-98.9124.3175.7-70.4-30.5000108.4
24V81.6Confident88.2Confident23 Ų2367 Ų6714%0.13936%0.362CS..PPolyproline II helixtrans-90.3126.91721780000108M1 S26 K34 M96 V104M1-V24 HydrophobicContact CE-CB 3.48Å; M1-V24 VanDerWaalsContact CE-CB 3.48Å; M1-V24 HydrophobicContact CE-CG1 4.3Å; M1-V24 HydrophobicContact CE-CG2 2.98Å; V24-S26 PolarHBondContact O-N 3.03Å; V24-K34 HydrophobicContact CG1-CD 4.4Å; V24-M96 HydrophobicContact CB-CE 4.26Å; V24-M96 HydrophobicContact CG1-CE 4.09Å; V24-M96 HydrophobicContact CG2-CE 3.44Å; V24-M96 VanDerWaalsContact CG2-CE 3.44Å; V24-V104 HydrophobicContact CG1-CG2 3.73Å
25P80.6Confident89.7Confident65 Ų6562.1 Ų62.142%0.42234%0.339SS..PPolyproline II helixtrans-50.2134.9179.3-27.734.6000111.7
26S80.1Confident90.7Very high87 Ų8764.5 Ų64.561%0.60835%0.347SS*.SBendtrans-72.9-36.3169.950.60000111.1V24V24-S26 PolarHBondContact O-N 3.03Å
27D86.5Confident91.1Very high136 Ų13657.6 Ų57.673%0.72732%0.318SS*.SBendtrans-94.3122.1-178.3-57.9-30000110
28L92.4Very high91.3Very high24 Ų2459.5 Ų59.513%0.12633%0.326CS..PPolyproline II helixtrans-89.8136.7177.3-60.7-178.4000110.9Q32 K34 Q72 V104L28-Q32 HydrophobicContact CB-CB 4.26Å; L28-K34 HydrophobicContact CD1-CB 4.03Å; L28-K34 HydrophobicContact CD2-CB 4.04Å; L28-Q72 HydrophobicContact CD1-CB 3.86Å; L28-Q72 HydrophobicContact CD1-CG 3.69Å; L28-Q72 WeakPolarHBondContact CD1-O 2.92Å; L28-V104 HydrophobicContact CD2-CB 4.5Å; L28-V104 HydrophobicContact CD2-CG1 3.85Å; L28-V104 HydrophobicContact CD2-CG2 3.76Å
29G93.3Very high91.5Very high32 Ų3257.5 Ų57.533%0.3331%0.313SS..PPolyproline II helixtrans-60162.1165.300000111.6N31 Q32G29-N31 VanDerWaalsContact C-N 3.3Å; G29-N31 PolarHBondContact O-N 3.11Å; G29-N31 VanDerWaalsContact O-N 3.11Å; G29-Q32 WeakPolarHBondContact O-CB 3.32Å; G29-Q32 PolarHBondContact O-N 3.49Å
30S95.3Very high91.8Very high53 Ų5354.1 Ų54.137%0.37130%0.296SS..THydrogen-bonded Turntrans-54-41.3-167.8-55.60000115G74 K76 V77S30-G74 CarbonylContact O-C 3.48Å; S30-G74 VanDerWaalsContact O-C 3.23Å; S30-K76 WeakPolarHBondContact O-CA 3.37Å; S30-K76 WeakPolarHBondContact O-CB 3.41Å; S30-K76 PolarHBondContact O-N 3.01Å; S30-V77 PolarHBondContact O-N 3.33Å
31N95.8Very high92.1Very high58 Ų5850.2 Ų50.231%0.3128%0.278SS..THydrogen-bonded Turntrans-10919.4-177.5-52.9-22.4000112.1G29 K76 N106 E107G29-N31 VanDerWaalsContact C-N 3.3Å; G29-N31 PolarHBondContact O-N 3.11Å; G29-N31 VanDerWaalsContact O-N 3.11Å; N31-K76 WeakPolarHBondContact OD1-CB 3.3Å; N31-N106 WeakPolarHBondContact O-CA 3.43Å; N31-E107 PolarHBondContact O-N 2.84Å
32Q96.5Very high92.4Very high69 Ų6942.5 Ų42.532%0.32224%0.242SC..EExtended strand (participates in β ladder)trans-91.8146.4-178.1-75-175.7-25.200111.4L28 G29 G74 V77 V104 I105L28-Q32 HydrophobicContact CB-CB 4.26Å; G29-Q32 WeakPolarHBondContact O-CB 3.32Å; G29-Q32 PolarHBondContact O-N 3.49Å; Q32-G74 PolarHBondContact O-N 2.91Å; Q32-V77 WeakPolarHBondContact O-CG2 3.37Å; Q32-V104 HydrophobicContact CB-CG1 3.71Å; Q32-V104 VanDerWaalsContact CD-CG1 3.45Å; Q32-V104 HydrophobicContact CG-CG1 3.89Å; Q32-I105 CarbonylContact C-O 3.52Å; Q32-I105 WeakPolarHBondContact CA-O 3.22Å
33V97.3Very high92.8Very high0 Ų042 Ų420%024%0.239CC..EExtended strand (participates in β ladder)trans-123.3128.8177.9-177.50000107.3V35 V70 V73 V77 F80 V104 I105 E107 L110V33-V35 HydrophobicContact CG1-CG2 3.92Å; V33-V70 HydrophobicContact CG1-CB 4.25Å; V33-V70 HydrophobicContact CG1-CG1 3.62Å; V33-V70 HydrophobicContact CG1-CG2 3.73Å; V33-V73 HydrophobicContact CG1-CG1 4.33Å; V33-V73 HydrophobicContact CG2-CG1 4.46Å; V33-V77 HydrophobicContact CG2-CG1 4Å; V33-V77 HydrophobicContact CG2-CG2 3.96Å; V33-F80 HydrophobicContact CG2-CD2 4.35Å; V33-V104 WeakPolarHBondContact O-CA 3.46Å; V33-I105 PolarHBondContact N-O 2.88Å; V33-I105 PolarHBondContact O-N 3.36Å; V33-E107 HydrophobicContact CG2-CB 3.87Å; V33-L110 HydrophobicContact CB-CD1 3.9Å; V33-L110 HydrophobicContact CG1-CD1 3.94Å; V33-L110 HydrophobicContact CG2-CD1 4.23Å
34K97.4Very high93.1Very high40 Ų4037.6 Ų37.617%0.17422%0.219CC..EExtended strand (participates in β ladder)trans-90.4120.1170.9-171.6174.5179.7170.20108.5V24 L28 L71 Q72 V103 V104V24-K34 HydrophobicContact CG1-CD 4.4Å; L28-K34 HydrophobicContact CD1-CB 4.03Å; L28-K34 HydrophobicContact CD2-CB 4.04Å; K34-L71 HydrophobicContact CB-CB 4.5Å; K34-L71 HydrophobicContact CD-CD1 4.47Å; K34-L71 HydrophobicContact CG-CB 4.35Å; K34-L71 HydrophobicContact CG-CD1 4.35Å; K34-L71 PolarHBondContact O-N 2.97Å; K34-Q72 HydrophobicContact CB-CB 4.17Å; K34-Q72 PolarHBondContact N-O 2.91Å; K34-Q72 PolarHBondContact O-N 2.91Å; K34-V103 CarbonylContact C-O 3.53Å; K34-V103 WeakPolarHBondContact CA-O 3.39Å; K34-V104 HydrophobicContact CB-CG2 4.49Å; K34-V104 HydrophobicContact CG-CG2 4.41Å
35V97.8Very high93.5Very high0 Ų037.5 Ų37.50%022%0.218CC..EExtended strand (participates in β ladder)trans-114.3126.6-177.2-178.60000108.9V33 V37 I66 I69 V86 A102 V103 I105 L110V33-V35 HydrophobicContact CG1-CG2 3.92Å; V35-V37 PolarHBondContact O-N 2.78Å; V35-I66 HydrophobicContact CB-CD1 4.36Å; V35-I66 HydrophobicContact CG1-CD1 4.16Å; V35-I69 CarbonylContact C-O 3.58Å; V35-I69 WeakPolarHBondContact CA-O 3.46Å; V35-V86 HydrophobicContact CG1-CG2 3.85Å; V35-V86 HydrophobicContact CG2-CG2 3.86Å; V35-A102 CarbonylContact O-C 3.59Å; V35-A102 WeakPolarHBondContact O-CA 3.46Å; V35-A102 WeakPolarHBondContact O-CB 3.46Å; V35-V103 HydrophobicContact CB-CG2 4.27Å; V35-V103 PolarHBondContact N-O 2.8Å; V35-V103 PolarHBondContact O-N 3.33Å; V35-I105 HydrophobicContact CG2-CG2 4.13Å; V35-L110 HydrophobicContact CG2-CD1 4.03Å
36Q97.4Very high93.8Very high71 Ų7137.1 Ų37.133%0.33221%0.212SC..EExtended strand (participates in β ladder)trans-74.2112163.8-173.9-177.931.500108.4G68 I69 L71 E101Q36-G68 CarbonylContact O-C 3.55Å; Q36-G68 WeakPolarHBondContact O-CA 3.46Å; Q36-I69 PolarHBondContact N-O 3.19Å; Q36-I69 PolarHBondContact O-N 2.95Å; Q36-L71 HydrophobicContact CB-CD1 3.88Å; Q36-L71 HydrophobicContact CB-CD2 3.92Å; Q36-L71 HydrophobicContact CB-CG 3.77Å; Q36-E101 WeakPolarHBondContact CA-O 3.4Å
37V97.5Very high94.2Very high4 Ų434 Ų342%0.02419%0.188CC..EExtended strand (participates in β ladder)trans-75.2131.3-177.4-168.60000109.1V35 A39 C40 I66 C100 E101 V103 L353V35-V37 PolarHBondContact O-N 2.78Å; V37-A39 WeakPolarHBondContact CG1-O 3.47Å; V37-C40 HydrophobicContact CG1-CB 4.24Å; V37-I66 HydrophobicContact CG1-CB 4.21Å; V37-I66 HydrophobicContact CG1-CG2 4.22Å; V37-I66 HydrophobicContact CG2-CB 4.48Å; V37-I66 HydrophobicContact CG2-CG2 4.36Å; V37-C100 VanDerWaalsContact CB-O 3.32Å; V37-C100 WeakPolarHBondContact CB-O 3.49Å; V37-C100 VanDerWaalsContact CG2-O 3.25Å; V37-C100 WeakPolarHBondContact CG2-O 3.31Å; V37-E101 PolarHBondContact N-O 2.97Å; V37-V103 HydrophobicContact CG2-CB 4.42Å; V37-V103 HydrophobicContact CG2-CG1 3.96Å; V37-V103 HydrophobicContact CG2-CG2 3.81Å; V37-L353 HydrophobicContact CB-CD1 4.41Å; V37-L353 HydrophobicContact CG1-CD1 3.87Å
38K97.7Very high94.1Very high53 Ų5332.3 Ų32.323%0.2318%0.175CC..EExtended strand (participates in β ladder)trans-107.1-32.5175.5-62.5-61.9179.3-175.40112.1V67 I69 W119 L353K38-V67 PolarHBondContact N-O 3.38Å; K38-I69 HydrophobicContact CG-CG1 4.41Å; K38-W119 HydrophobicContact CB-CB 4.32Å; K38-W119 HydrophobicContact CB-CD2 3.9Å; K38-W119 HydrophobicContact CB-CE3 4.06Å; K38-W119 HydrophobicContact CB-CG 3.99Å; K38-W119 HydrophobicContact CG-CD2 4.26Å; K38-W119 HydrophobicContact CG-CE3 4.34Å; K38-L353 PolarHBondContact O-N 3.36Å
39A97.7Very high93.8Very high0 Ų032.7 Ų32.70%018%0.177CC..EExtended strand (participates in β ladder)trans-147147173.600000110.6V37 V67 W119 V120 A123 V350 I351V37-A39 WeakPolarHBondContact CG1-O 3.47Å; A39-V67 PolarHBondContact N-O 3.49Å; A39-V67 VanDerWaalsContact N-O 3.12Å; A39-V67 PolarHBondContact O-N 2.98Å; A39-W119 HydrophobicContact CB-CB 3.83Å; A39-V120 HydrophobicContact CB-CG2 4.48Å; A39-A123 HydrophobicContact CB-CB 3.94Å; A39-V350 HydrophobicContact CB-CG1 4.01Å; A39-I351 CarbonylContact C-O 3.51Å; A39-I351 VanDerWaalsContact CA-O 3.23Å; A39-I351 WeakPolarHBondContact CA-O 3.47Å
40C97.6Very high93.4Very high0 Ų031.8 Ų31.80%016%0.164CC..EExtended strand (participates in β ladder)trans-142.1129.2173.6-177.50000110.4V37 E65 I66 L99 I351 L353V37-C40 HydrophobicContact CG1-CB 4.24Å; C40-E65 VanDerWaalsContact CA-O 3.23Å; C40-E65 WeakPolarHBondContact CA-O 3.39Å; C40-I66 HydrophobicContact CB-CG2 4.46Å; C40-L99 HydrophobicContact CB-CD2 3.78Å; C40-L99 HydrophobicContact CB-CG 4.44Å; C40-I351 PolarHBondContact N-O 3.01Å; C40-I351 PolarHBondContact O-N 2.94Å; C40-L353 HydrophobicContact CB-CD1 4.41Å
41A96.1Very high93Very high0 Ų034.5 Ų34.50%017%0.171CC..EExtended strand (participates in β ladder)trans-80.7150.9178.500000112.3E65 A123 V350A41-E65 HydrophobicContact CB-CB 4Å; A41-E65 HydrophobicContact CB-CG 4.5Å; A41-E65 PolarHBondContact N-O 3.21Å; A41-E65 VanDerWaalsContact N-O 3.17Å; A41-A123 HydrophobicContact CB-CB 4.41Å; A41-A123 VanDerWaalsContact CB-O 3.26Å; A41-A123 WeakPolarHBondContact CB-O 3.22Å; A41-V350 HydrophobicContact CB-CG2 4.07Å
42L94.8Very high92.5Very high3 Ų336.4 Ų36.42%0.01618%0.181CC..  trans-92.4132.2174.4-59.4-173.6000110.4L99 M337 V340 L349 I351L42-L99 HydrophobicContact CD2-CD1 3.58Å; L42-L99 HydrophobicContact CD2-CD2 4.14Å; L42-L99 HydrophobicContact CD2-CG 4.37Å; L42-M337 HydrophobicContact CB-SD 4.37Å; L42-M337 HydrophobicContact CD1-CB 4.46Å; L42-M337 HydrophobicContact CD2-SD 4.19Å; L42-V340 HydrophobicContact CB-CG1 4.39Å; L42-V340 HydrophobicContact CB-CG2 3.92Å; L42-V340 HydrophobicContact CD1-CG2 4.2Å; L42-L349 HydrophobicContact CB-CB 4.34Å; L42-L349 HydrophobicContact CD1-CB 4.14Å; L42-L349 HydrophobicContact CG-CB 4.43Å; L42-L349 PolarHBondContact N-O 3.01Å; L42-I351 HydrophobicContact CD1-CD1 4.05Å; L42-I351 HydrophobicContact CD1-CG1 4.21Å; L42-I351 HydrophobicContact CD2-CG1 3.8Å; L42-I351 HydrophobicContact CG-CD1 4.37Å; L42-I351 HydrophobicContact CG-CG1 4.02Å
43S91.6Very high92Very high11 Ų1137.4 Ų37.48%0.07719%0.188CC..  trans-134.6139.6177-69.90000108.5E65 R127 M337 R348S43-E65 PolarHBondContact OG-OE1 3.47Å; S43-E65 PolarHBondContact OG-OE2 2.85Å; S43-R127 VanDerWaalsContact CB-NH1 3.25Å; S43-R127 PolarHBondContact OG-NH1 2.62Å; S43-M337 WeakPolarHBondContact O-CE 3.5Å; S43-R348 PolarHBondContact OG-NH2 3.13Å
44P90.4Very high91.5Very high60 Ų6046.1 Ų46.139%0.3923%0.226SC..  trans-55.6141.9174.1-23.233000111.4V340P44-V340 HydrophobicContact CG-CG1 3.86Å
45L89.4Confident90.9Very high21 Ų2146.3 Ų46.311%0.1123%0.229CC..  trans-84.5127.7173.9-66.2-179.4000110.2C6 F17 L47 V60 V62 M337 Q341C6-L45 HydrophobicContact CB-CD1 3.41Å; C6-L45 VanDerWaalsContact CB-CD1 3.41Å; F17-L45 HydrophobicContact CE1-CD1 4.05Å; L45-L47 HydrophobicContact CB-CD2 4.17Å; L45-L47 HydrophobicContact CB-CG 4.44Å; L45-L47 HydrophobicContact CD1-CD2 4.37Å; L45-L47 PolarHBondContact O-N 2.75Å; L45-V60 HydrophobicContact CD1-CG1 4.13Å; L45-V60 HydrophobicContact CD2-CG1 4.48Å; L45-V62 HydrophobicContact CD1-CG2 4.19Å; L45-M337 HydrophobicContact CG-CE 4.44Å; L45-Q341 PolarHBondContact O-NE2 3.15Å; L45-Q341 VanDerWaalsContact O-NE2 3.16Å
46D88Confident90.2Very high57 Ų5752.1 Ų52.131%0.30526%0.255SS..  trans-90.281.1169.6-167.2-19.5000109.5K48 L49 H50 Q267D46-K48 PolarHBondContact O-N 3.25Å; D46-K48 PolarHBondContact OD1-N 2.67Å; D46-L49 HydrophobicContact CB-CB 3.82Å; D46-L49 HydrophobicContact CB-CD2 4.49Å; D46-L49 WeakPolarHBondContact O-CB 3.41Å; D46-L49 PolarHBondContact O-N 2.94Å; D46-L49 PolarHBondContact OD1-N 3.11Å; D46-H50 PolarHBondContact O-CD2 3.24Å; D46-H50 PolarHBondContact O-N 3.14Å; D46-H50 VanDerWaalsContact O-N 3.17Å; D46-Q267 PolarHBondContact OD2-NE2 2.96Å; D46-Q267 VanDerWaalsContact OD2-NE2 3.09Å
47L87.2Confident89.6Confident21 Ų2152.8 Ų52.811%0.1126%0.255CS..Hα-helixtrans-62.7-28.1-179-62.2179.5000112.4V8 A12 A15 L45 H50 E51 V60V8-L47 HydrophobicContact CG2-CD2 4.19Å; A12-L47 HydrophobicContact CB-CD1 4.3Å; A15-L47 HydrophobicContact CB-CD1 4.01Å; L45-L47 HydrophobicContact CB-CD2 4.17Å; L45-L47 HydrophobicContact CB-CG 4.44Å; L45-L47 HydrophobicContact CD1-CD2 4.37Å; L45-L47 PolarHBondContact O-N 2.75Å; L47-H50 WeakPolarHBondContact O-CB 3.41Å; L47-H50 PolarHBondContact O-N 2.98Å; L47-E51 PolarHBondContact O-N 3.11Å; L47-E51 VanDerWaalsContact O-N 3.14Å; L47-V60 HydrophobicContact CD2-CG2 4.26Å
48K85.3Confident89.1Confident101 Ų10159.6 Ų59.644%0.43929%0.291SS..Hα-helixtrans-69.3-42.8176-172.3-179.8179.1-173.70110.7D46 H50 E51 D52D46-K48 PolarHBondContact O-N 3.25Å; D46-K48 PolarHBondContact OD1-N 2.67Å; K48-H50 VanDerWaalsContact C-N 3.28Å; K48-H50 PolarHBondContact O-N 3.02Å; K48-E51 CarbonylContact O-C 3.55Å; K48-E51 WeakPolarHBondContact O-CA 3.29Å; K48-E51 WeakPolarHBondContact O-CB 3.5Å; K48-E51 PolarHBondContact O-N 2.66Å; K48-D52 PolarHBondContact O-N 2.85Å
49L85.8Confident88.7Confident32 Ų3259.9 Ų59.917%0.16830%0.295CS..Hα-helixtrans-60.1-38.6173.5-177.864.5000112.3D46 E51 D52 L53 L92 E292D46-L49 HydrophobicContact CB-CB 3.82Å; D46-L49 HydrophobicContact CB-CD2 4.49Å; D46-L49 WeakPolarHBondContact O-CB 3.41Å; D46-L49 PolarHBondContact O-N 2.94Å; D46-L49 PolarHBondContact OD1-N 3.11Å; L49-E51 VanDerWaalsContact C-N 3.29Å; L49-E51 PolarHBondContact O-N 3.24Å; L49-D52 PolarHBondContact O-N 3.19Å; L49-L53 HydrophobicContact CD1-CD1 3.76Å; L49-L53 HydrophobicContact CD1-CG 3.98Å; L49-L53 HydrophobicContact CG-CD1 3.91Å; L49-L53 HydrophobicContact CG-CG 4.42Å; L49-L53 WeakPolarHBondContact O-CB 3.49Å; L49-L53 WeakPolarHBondContact O-CG 3.39Å; L49-L53 PolarHBondContact O-N 3.37Å; L49-L92 HydrophobicContact CD2-CD2 3.99Å; L49-L92 HydrophobicContact CG-CD2 4.23Å; L49-E292 HydrophobicContact CD2-CG 3.97Å
50H85.5Confident88.5Confident13 Ų1360 Ų606%0.0630%0.296CS..Hα-helixtrans-61.1-37.8173-84.2-91.5000112.3D46 L47 K48 K54 L55D46-H50 PolarHBondContact O-CD2 3.24Å; D46-H50 PolarHBondContact O-N 3.14Å; D46-H50 VanDerWaalsContact O-N 3.17Å; L47-H50 WeakPolarHBondContact O-CB 3.41Å; L47-H50 PolarHBondContact O-N 2.98Å; K48-H50 VanDerWaalsContact C-N 3.28Å; K48-H50 PolarHBondContact O-N 3.02Å; H50-K54 PolarHBondContact O-N 3.36Å; H50-L55 WeakPolarHBondContact O-CA 3.21Å; H50-L55 PolarHBondContact O-N 3.25Å
51E85.9Confident88.3Confident111 Ų11160.6 Ų60.652%0.51930%0.3SS..Hα-helixtrans-67.6-51.1173.5168163.9-142.400112.4L47 K48 L49 L53 K54 Q56L47-E51 PolarHBondContact O-N 3.11Å; L47-E51 VanDerWaalsContact O-N 3.14Å; K48-E51 CarbonylContact O-C 3.55Å; K48-E51 WeakPolarHBondContact O-CA 3.29Å; K48-E51 WeakPolarHBondContact O-CB 3.5Å; K48-E51 PolarHBondContact O-N 2.66Å; L49-E51 VanDerWaalsContact C-N 3.29Å; L49-E51 PolarHBondContact O-N 3.24Å; E51-L53 PolarHBondContact O-N 3.09Å; E51-K54 PolarHBondContact O-N 3.39Å; E51-Q56 HydrophobicContact CB-CG 4.2Å; E51-Q56 VanDerWaalsContact CG-NE2 3.3Å
52D85.8Confident88.2Confident97 Ų9760.6 Ų60.652%0.51930%0.3SS..Hα-helixtrans-58.7-34.8-179.1-69.9-23.4000112.1K48 L49K48-D52 PolarHBondContact O-N 2.85Å; L49-D52 PolarHBondContact O-N 3.19Å
53L85.5Confident88.2Confident90 Ų9060.6 Ų60.647%0.47130%0.301SS..THydrogen-bonded Turntrans-89.72.4178-63.1178.9000114.4L49 E51 L55 L92L49-L53 HydrophobicContact CD1-CD1 3.76Å; L49-L53 HydrophobicContact CD1-CG 3.98Å; L49-L53 HydrophobicContact CG-CD1 3.91Å; L49-L53 HydrophobicContact CG-CG 4.42Å; L49-L53 WeakPolarHBondContact O-CB 3.49Å; L49-L53 WeakPolarHBondContact O-CG 3.39Å; L49-L53 PolarHBondContact O-N 3.37Å; E51-L53 PolarHBondContact O-N 3.09Å; L53-L55 HydrophobicContact CB-CD1 4Å; L53-L55 HydrophobicContact CB-CG 3.99Å; L53-L55 HydrophobicContact CD1-CD1 4.29Å; L53-L55 PolarHBondContact O-N 3.44Å; L53-L92 HydrophobicContact CD1-CD2 3.56Å
54K87.2Confident88.3Confident184 Ų18462 Ų6280%0.830%0.304SS*.THydrogen-bonded Turntrans5736-177.2-52.1-179.7-179.5-179.80113.3H50 E51H50-K54 PolarHBondContact O-N 3.36Å; E51-K54 PolarHBondContact O-N 3.39Å
55L85.8Confident88.6Confident44 Ų4459.2 Ų59.223%0.2329%0.286CS..  trans-102.122.3176.5-62.7177.5000112.1H50 L53 L92 D93H50-L55 WeakPolarHBondContact O-CA 3.21Å; H50-L55 PolarHBondContact O-N 3.25Å; L53-L55 HydrophobicContact CB-CD1 4Å; L53-L55 HydrophobicContact CB-CG 3.99Å; L53-L55 HydrophobicContact CD1-CD1 4.29Å; L53-L55 PolarHBondContact O-N 3.44Å; L55-L92 HydrophobicContact CD1-CB 4.44Å; L55-L92 HydrophobicContact CD1-CD2 3.96Å; L55-L92 HydrophobicContact CD1-CG 3.98Å; L55-D93 HydrophobicContact CD1-CB 4.24Å; L55-D93 HydrophobicContact CD2-CB 3.82Å
56Q82.1Confident89Confident121 Ų12158.2 Ų58.257%0.56528%0.281SS*.  trans-63.1138.4-178.6-65.9155.4-44.400110.8E51E51-Q56 HydrophobicContact CB-CG 4.2Å; E51-Q56 VanDerWaalsContact CG-NE2 3.3Å
57R85.1Confident89.5Confident85 Ų8555.5 Ų55.532%0.32127%0.266SS..  trans-144.8150.2178.3-66.5-177.6167.7135.7-1.3109.1L59 D93 T94 A95R57-L59 WeakPolarHBondContact CB-O 3.43Å; R57-L59 PolarHBondContact O-N 2.74Å; R57-D93 PolarHBondContact NH1-O 3.04Å; R57-D93 VanDerWaalsContact NH1-O 3.1Å; R57-D93 PolarHBondContact NH2-O 2.85Å; R57-T94 VanDerWaalsContact NH1-C 3.25Å; R57-T94 PolarHBondContact NH1-O 3.21Å; R57-A95 VanDerWaalsContact NH1-CA 3.32Å
58D86.3Confident90Very high147 Ų14754.5 Ų54.579%0.78626%0.261SS*.SBendtrans-59.2-33.8171.1-62.1-15.4000111.5
59L90.3Very high90.6Very high59 Ų5951.3 Ų51.331%0.30925%0.249SC..EExtended strand (participates in β ladder)trans-127.1107.8177.2-65.9174.3000109.7Y5 C6 K7 V18 Q20 R57Y5-L59 HydrophobicContact CD1-CB 4.04Å; Y5-L59 HydrophobicContact CG-CB 4.32Å; C6-L59 WeakPolarHBondContact O-CA 3.29Å; K7-L59 HydrophobicContact CB-CD2 4.11Å; V18-L59 HydrophobicContact CG2-CD2 4.06Å; Q20-L59 HydrophobicContact CG-CD1 4.02Å; R57-L59 WeakPolarHBondContact CB-O 3.43Å; R57-L59 PolarHBondContact O-N 2.74Å
60V92.4Very high91.2Very high2 Ų249.8 Ų49.81%0.01224%0.241CC..EExtended strand (participates in β ladder)trans-86.6124.8175.6179.40000108.8Y5 C6 V8 L45 L47Y5-V60 CarbonylContact C-O 3.59Å; Y5-V60 WeakPolarHBondContact CA-O 3.14Å; C6-V60 HydrophobicContact CB-CB 4.28Å; C6-V60 PolarHBondContact N-O 3.03Å; C6-V60 PolarHBondContact O-N 2.66Å; V8-V60 HydrophobicContact CG2-CG2 3.73Å; L45-V60 HydrophobicContact CD1-CG1 4.13Å; L45-V60 HydrophobicContact CD2-CG1 4.48Å; L47-V60 HydrophobicContact CD2-CG2 4.26Å
61P93.6Very high91.8Very high13 Ų1353 Ų538%0.08426%0.258CS..EExtended strand (participates in β ladder)trans-67.1141.2179.521.7-26.5000112.1Y5 T94 M96Y5-P61 HydrophobicContact CD1-CB 4.14Å; Y5-P61 HydrophobicContact CE1-CB 3.92Å; P61-T94 WeakPolarHBondContact CG-O 3.37Å; P61-M96 VanDerWaalsContact CB-C 3.45Å; P61-M96 WeakPolarHBondContact CB-O 3.29Å
62V94.6Very high92.3Very high0 Ų051.7 Ų51.70%025%0.252CS..  trans-104.1142.8-179.8-175.20000110.8L4 C6 F17 L45 S97 G98 L99 M337L4-V62 HydrophobicContact CB-CB 4.33Å; L4-V62 HydrophobicContact CD2-CB 4.23Å; L4-V62 HydrophobicContact CD2-CG1 4.04Å; L4-V62 HydrophobicContact CD2-CG2 4.41Å; L4-V62 HydrophobicContact CG-CB 4.21Å; L4-V62 HydrophobicContact CG-CG2 4.16Å; L4-V62 WeakPolarHBondContact O-CB 3.45Å; L4-V62 PolarHBondContact O-N 2.87Å; L4-V62 VanDerWaalsContact O-N 3.14Å; C6-V62 HydrophobicContact CB-CG2 4.26Å; F17-V62 HydrophobicContact CD1-CG2 3.86Å; F17-V62 HydrophobicContact CE1-CG2 4.05Å; L45-V62 HydrophobicContact CD1-CG2 4.19Å; V62-S97 PolarHBondContact O-OG 3.17Å; V62-G98 PolarHBondContact O-N 3.23Å; V62-L99 HydrophobicContact CB-CD1 4.01Å; V62-L99 HydrophobicContact CG1-CD1 3.6Å; V62-L99 PolarHBondContact O-N 3.27Å; V62-M337 HydrophobicContact CG1-CG 3.83Å; V62-M337 HydrophobicContact CG1-SD 3.55Å; V62-M337 VanDerWaalsContact CG1-SD 3.55Å
63G93.8Very high92.9Very high4 Ų449.1 Ų49.14%0.04124%0.239CC..  trans77.9122.9176.800000111.5G98G63-G98 WeakPolarHBondContact O-CA 2.89Å; G63-G98 PolarHBondContact O-N 3.25Å
64R94.9Very high93.4Very high40 Ų4045 Ų4515%0.15122%0.219CC..  trans-123.2-27.3-177.2-68.5174.759.5-156.2-1.4112.8I66 I89 L90 E292R64-I66 PolarHBondContact O-N 3.43Å; R64-I66 VanDerWaalsContact O-N 3.13Å; R64-I89 HydrophobicContact CB-CG2 4.2Å; R64-I89 CarbonylContact O-C 3.56Å; R64-I89 WeakPolarHBondContact O-CA 3.15Å; R64-L90 HydrophobicContact CB-CB 4.18Å; R64-L90 HydrophobicContact CG-CB 4.29Å; R64-L90 VanDerWaalsContact CZ-O 3.27Å; R64-L90 PolarHBondContact NE-O 3.29Å; R64-L90 PolarHBondContact NH2-O 2.98Å; R64-L90 PolarHBondContact O-N 3.36Å; R64-E292 IonicContact CZ-OE1 2.67Å; R64-E292 IonicContact CZ-OE2 3.03Å; R64-E292 VanDerWaalsContact CZ-OE2 3.3Å; R64-E292 IonicContact NH1-OE1 2.68Å; R64-E292 PolarHBondContact NH1-OE1 3.11Å; R64-E292 IonicContact NH1-OE2 2.67Å; R64-E292 PolarHBondContact NH1-OE2 3.25Å; R64-E292 IonicContact NH2-OE1 3.69Å; R64-E292 IonicContact NH2-OE2 3.77Å; R64-E292 PolarHBondContact NH2-OE2 2.94Å
65E95.9Very high93.9Very high1 Ų141.9 Ų41.91%0.00522%0.217CC..EExtended strand (participates in β ladder)trans-81.987.8-179.8-59.582.6-131.600110.4C40 A41 S43 I89 I126 R127 R348C40-E65 VanDerWaalsContact CA-O 3.23Å; C40-E65 WeakPolarHBondContact CA-O 3.39Å; A41-E65 HydrophobicContact CB-CB 4Å; A41-E65 HydrophobicContact CB-CG 4.5Å; A41-E65 PolarHBondContact N-O 3.21Å; A41-E65 VanDerWaalsContact N-O 3.17Å; S43-E65 PolarHBondContact OG-OE1 3.47Å; S43-E65 PolarHBondContact OG-OE2 2.85Å; E65-I89 HydrophobicContact CG-CG1 4.4Å; E65-I126 HydrophobicContact CB-CG2 3.74Å; E65-I126 HydrophobicContact CG-CG2 3.84Å; E65-R127 HydrophobicContact CG-CB 3.44Å; E65-R127 VanDerWaalsContact CG-CB 3.44Å; E65-R127 WeakPolarHBondContact OE1-CD 3.45Å; E65-R348 VanDerWaalsContact CD-NH2 3.31Å; E65-R348 IonicContact OE1-NH2 3.43Å; E65-R348 IonicContact OE2-CZ 2.8Å; E65-R348 IonicContact OE2-NH2 3.43Å; E65-R348 PolarHBondContact OE2-NH2 3.31Å
66I97.5Very high94.4Very high0 Ų046.2 Ų46.20%023%0.234CC..EExtended strand (participates in β ladder)trans-99.8140.9-175.360.7115.2000111.8V35 V37 C40 R64 V87 G88 L90 V103 L110V35-I66 HydrophobicContact CB-CD1 4.36Å; V35-I66 HydrophobicContact CG1-CD1 4.16Å; V37-I66 HydrophobicContact CG1-CB 4.21Å; V37-I66 HydrophobicContact CG1-CG2 4.22Å; V37-I66 HydrophobicContact CG2-CB 4.48Å; V37-I66 HydrophobicContact CG2-CG2 4.36Å; C40-I66 HydrophobicContact CB-CG2 4.46Å; R64-I66 PolarHBondContact O-N 3.43Å; R64-I66 VanDerWaalsContact O-N 3.13Å; I66-V87 WeakPolarHBondContact O-CA 3.31Å; I66-G88 PolarHBondContact N-O 3.19Å; I66-G88 PolarHBondContact O-N 2.94Å; I66-L90 HydrophobicContact CG1-CD2 4.46Å; I66-L90 HydrophobicContact CG1-CG 4.35Å; I66-L90 HydrophobicContact CG2-CD1 4.1Å; I66-L90 HydrophobicContact CG2-CG 4.35Å; I66-V103 HydrophobicContact CD1-CG2 3.76Å; I66-V103 HydrophobicContact CG1-CG2 4.34Å; I66-L110 HydrophobicContact CD1-CD2 4.27Å
67V98.2Very high95.1Very high0 Ų041.4 Ų41.40%021%0.213CC..EExtended strand (participates in β ladder)trans-131.7135.7170.1-165.20000108.4K38 A39 V86 V87 K113 W119 V122 A123K38-V67 PolarHBondContact N-O 3.38Å; A39-V67 PolarHBondContact N-O 3.49Å; A39-V67 VanDerWaalsContact N-O 3.12Å; A39-V67 PolarHBondContact O-N 2.98Å; V67-V86 WeakPolarHBondContact CA-O 3.06Å; V67-V86 VanDerWaalsContact CG1-O 3.31Å; V67-V86 WeakPolarHBondContact CG1-O 3.3Å; V67-V87 HydrophobicContact CG1-CB 4.21Å; V67-V87 HydrophobicContact CG2-CB 4.01Å; V67-V87 HydrophobicContact CG2-CG2 3.81Å; V67-K113 HydrophobicContact CG1-CD 3.65Å; V67-K113 HydrophobicContact CG1-CG 4.44Å; V67-W119 HydrophobicContact CB-CE3 4.3Å; V67-W119 HydrophobicContact CG1-CE3 3.46Å; V67-W119 VanDerWaalsContact CG1-CE3 3.46Å; V67-W119 HydrophobicContact CG1-CZ3 3.92Å; V67-V122 HydrophobicContact CG1-CB 4.37Å; V67-V122 HydrophobicContact CG1-CG1 4.28Å; V67-V122 HydrophobicContact CG2-CB 4.07Å; V67-V122 HydrophobicContact CG2-CG1 3.9Å; V67-A123 VanDerWaalsContact CG2-CA 3.49Å; V67-A123 HydrophobicContact CG2-CB 3.62Å; V67-A123 VanDerWaalsContact CG2-N 3.32Å
68G98.1Very high95.6Very high0 Ų042.6 Ų42.60%023%0.23CC..EExtended strand (participates in β ladder)trans-173.7-165-17300000114.7Q36 E85 V86 W119Q36-G68 CarbonylContact O-C 3.55Å; Q36-G68 WeakPolarHBondContact O-CA 3.46Å; G68-E85 WeakPolarHBondContact O-CA 3.18Å; G68-V86 PolarHBondContact N-O 3.41Å; G68-V86 PolarHBondContact O-N 2.98Å; G68-W119 WeakPolarHBondContact O-CZ3 3.45Å
69I98.4Very high96Very high35 Ų3541.2 Ų41.218%0.17922%0.217CC..EExtended strand (participates in β ladder)trans-117.1135.9-177.9-56.6175000108.7V35 Q36 K38 L71 D84 W119V35-I69 CarbonylContact C-O 3.58Å; V35-I69 WeakPolarHBondContact CA-O 3.46Å; Q36-I69 PolarHBondContact N-O 3.19Å; Q36-I69 PolarHBondContact O-N 2.95Å; K38-I69 HydrophobicContact CG-CG1 4.41Å; I69-L71 PolarHBondContact O-N 2.89Å; I69-D84 CarbonylContact C-O 3.23Å; I69-D84 WeakPolarHBondContact CA-O 3.3Å; I69-W119 HydrophobicContact CD1-CH2 4.36Å; I69-W119 HydrophobicContact CD1-CZ2 4.44Å; I69-W119 HydrophobicContact CG1-CH2 3.79Å; I69-W119 HydrophobicContact CG1-CZ2 4.34Å; I69-W119 HydrophobicContact CG1-CZ3 4.5Å
70V98.4Very high96.4Very high0 Ų039.3 Ų39.30%021%0.206CC..EExtended strand (participates in β ladder)trans-68.5123.1176.2177.80000110.1V33 V73 F80 Q81 P82 D83 D84 V86V33-V70 HydrophobicContact CG1-CB 4.25Å; V33-V70 HydrophobicContact CG1-CG1 3.62Å; V33-V70 HydrophobicContact CG1-CG2 3.73Å; V70-V73 HydrophobicContact CG1-CG1 3.62Å; V70-F80 HydrophobicContact CG2-CB 4.37Å; V70-Q81 VanDerWaalsContact CB-O 3.32Å; V70-Q81 WeakPolarHBondContact CB-O 3.37Å; V70-Q81 WeakPolarHBondContact CG1-O 3.39Å; V70-P82 WeakPolarHBondContact O-CA 3.06Å; V70-D83 PolarHBondContact O-N 3.04Å; V70-D84 HydrophobicContact CB-CB 4.39Å; V70-D84 HydrophobicContact CG2-CB 4.06Å; V70-D84 PolarHBondContact N-O 2.89Å; V70-V86 HydrophobicContact CG2-CG1 3.77Å; V70-V86 HydrophobicContact CG2-CG2 3.99Å
71L97.3Very high96.6Very high81 Ų8145.1 Ų45.142%0.42423%0.233SC..EExtended strand (participates in β ladder)trans-91.1-40.8174.2-67.6178.9000112.1K34 Q36 I69 A102K34-L71 HydrophobicContact CB-CB 4.5Å; K34-L71 HydrophobicContact CD-CD1 4.47Å; K34-L71 HydrophobicContact CG-CB 4.35Å; K34-L71 HydrophobicContact CG-CD1 4.35Å; K34-L71 PolarHBondContact O-N 2.97Å; Q36-L71 HydrophobicContact CB-CD1 3.88Å; Q36-L71 HydrophobicContact CB-CD2 3.92Å; Q36-L71 HydrophobicContact CB-CG 3.77Å; I69-L71 PolarHBondContact O-N 2.89Å; L71-A102 HydrophobicContact CD1-CB 4.34Å
72Q97.2Very high96.8Very high83 Ų8347.4 Ų47.439%0.38825%0.248SC..EExtended strand (participates in β ladder)trans-157148.5-172.9-170.9-174.5-7.200109.7L28 K34L28-Q72 HydrophobicContact CD1-CB 3.86Å; L28-Q72 HydrophobicContact CD1-CG 3.69Å; L28-Q72 WeakPolarHBondContact CD1-O 2.92Å; K34-Q72 HydrophobicContact CB-CB 4.17Å; K34-Q72 PolarHBondContact N-O 2.91Å; K34-Q72 PolarHBondContact O-N 2.91Å
73V97.9Very high97Very high42 Ų4253.8 Ų53.826%0.25528%0.282SS..EExtended strand (participates in β ladder)trans-122.8147.8178.5-60.10000111.1V33 V70 V77V33-V73 HydrophobicContact CG1-CG1 4.33Å; V33-V73 HydrophobicContact CG2-CG1 4.46Å; V70-V73 HydrophobicContact CG1-CG1 3.62Å; V73-V77 HydrophobicContact CB-CB 3.89Å; V73-V77 HydrophobicContact CB-CG1 3.91Å; V73-V77 HydrophobicContact CB-CG2 4.15Å; V73-V77 HydrophobicContact CG1-CG1 4Å
74G97.3Very high97.2Very high4 Ų455.1 Ų55.14%0.04129%0.288CS..  trans-71.5162.2172.800000112.2S30 Q32 K76 V77S30-G74 CarbonylContact O-C 3.48Å; S30-G74 VanDerWaalsContact O-C 3.23Å; Q32-G74 PolarHBondContact O-N 2.91Å; G74-K76 PolarHBondContact O-N 2.97Å; G74-K76 VanDerWaalsContact O-N 3.08Å; G74-V77 WeakPolarHBondContact O-CB 3.32Å; G74-V77 PolarHBondContact O-N 3.41Å; G74-V77 VanDerWaalsContact O-N 3.12Å
75P96.6Very high97.4Very high118 Ų11855.6 Ų55.677%0.76629%0.293SS*.THydrogen-bonded Turntrans-65.3-14.5-170.624.3-36.8000116.1
76K97Very high97.5Very high135 Ų13555.6 Ų55.659%0.58729%0.292SS*.THydrogen-bonded Turntrans-113.64.2178.5-66.3-172.9-173.2177.60113S30 N31 G74S30-K76 WeakPolarHBondContact O-CA 3.37Å; S30-K76 WeakPolarHBondContact O-CB 3.41Å; S30-K76 PolarHBondContact O-N 3.01Å; N31-K76 WeakPolarHBondContact OD1-CB 3.3Å; G74-K76 PolarHBondContact O-N 2.97Å; G74-K76 VanDerWaalsContact O-N 3.08Å
77V97.3Very high97.5Very high20 Ų2055.6 Ų55.612%0.12129%0.292CS..  trans-65.1134.2173.1173.60000108.9S30 Q32 V33 V73 G74 F80 E107S30-V77 PolarHBondContact O-N 3.33Å; Q32-V77 WeakPolarHBondContact O-CG2 3.37Å; V33-V77 HydrophobicContact CG2-CG1 4Å; V33-V77 HydrophobicContact CG2-CG2 3.96Å; V73-V77 HydrophobicContact CB-CB 3.89Å; V73-V77 HydrophobicContact CB-CG1 3.91Å; V73-V77 HydrophobicContact CB-CG2 4.15Å; V73-V77 HydrophobicContact CG1-CG1 4Å; G74-V77 WeakPolarHBondContact O-CB 3.32Å; G74-V77 PolarHBondContact O-N 3.41Å; G74-V77 VanDerWaalsContact O-N 3.12Å; V77-F80 HydrophobicContact CG1-CB 4.31Å; V77-E107 WeakPolarHBondContact CA-OE1 3.29Å; V77-E107 WeakPolarHBondContact CA-OE2 3.5Å; V77-E107 HydrophobicContact CG1-CB 4.3Å; V77-E107 WeakPolarHBondContact CG1-OE2 3.4Å
78T95.8Very high97.4Very high110 Ų11055.6 Ų55.668%0.67529%0.292SS*.  trans-126.9-20.5-177.255.20000113.4E107T78-E107 PolarHBondContact N-OE2 3.33Å
79F94.5Very high97.3Very high118 Ų11856.2 Ų56.252%0.51830%0.295SS..SBendtrans-89.1-16-175.9-62.9-60.3000114.5E107F79-E107 HydrophobicContact CD2-CG 4.01Å; F79-E107 WeakPolarHBondContact CD2-OE2 3.48Å; F79-E107 PolarHBondContact N-OE2 3.45Å
80F97.7Very high97.1Very high20 Ų2054.6 Ų54.69%0.08829%0.287CS..  trans-139.7156.2-171.7-55.8-73.9000112.3V33 V70 V77 D84 V86 E107 L110 Q112V33-F80 HydrophobicContact CG2-CD2 4.35Å; V70-F80 HydrophobicContact CG2-CB 4.37Å; V77-F80 HydrophobicContact CG1-CB 4.31Å; F80-D84 VanDerWaalsContact CA-OD2 3.29Å; F80-D84 WeakPolarHBondContact CA-OD2 3.26Å; F80-V86 HydrophobicContact CD1-CG1 3.58Å; F80-V86 HydrophobicContact CE1-CG1 3.55Å; F80-V86 HydrophobicContact CG-CG1 4.41Å; F80-V86 HydrophobicContact CZ-CG1 4.38Å; F80-E107 HydrophobicContact CD2-CB 3.93Å; F80-E107 HydrophobicContact CE2-CB 4.03Å; F80-E107 WeakPolarHBondContact CE2-O 3.34Å; F80-L110 HydrophobicContact CE1-CB 4.44Å; F80-L110 HydrophobicContact CE2-CB 3.67Å; F80-L110 HydrophobicContact CE2-CD1 4.39Å; F80-L110 HydrophobicContact CZ-CB 3.59Å; F80-Q112 HydrophobicContact CD1-CG 4.34Å; F80-Q112 HydrophobicContact CE1-CG 3.84Å
81Q97.6Very high96.8Very high124 Ų12455.5 Ų55.558%0.57929%0.293SS*.  trans-135164.9172.360.9-178.512.700110.2V70 D84V70-Q81 VanDerWaalsContact CB-O 3.32Å; V70-Q81 WeakPolarHBondContact CB-O 3.37Å; V70-Q81 WeakPolarHBondContact CG1-O 3.39Å; Q81-D84 WeakPolarHBondContact CG-OD1 3.35Å; Q81-D84 PolarHBondContact N-OD2 3.27Å; Q81-D84 WeakPolarHBondContact O-CB 3.42Å; Q81-D84 PolarHBondContact O-N 2.92Å
82P98.1Very high96.4Very high61 Ų6152.8 Ų52.840%0.39628%0.279SS..THydrogen-bonded Turntrans-50146.7171-27.336.6000112.5V70 D84V70-P82 WeakPolarHBondContact O-CA 3.06Å; P82-D84 PolarHBondContact O-N 3.11Å
83D97.7Very high96Very high133 Ų13353.2 Ų53.271%0.71128%0.284SS*.THydrogen-bonded Turntrans72.6-3.2-176.2-54.2-47.8000116.3V70 E85V70-D83 PolarHBondContact O-N 3.04Å; D83-E85 PolarHBondContact O-N 3.13Å
84D98.2Very high95.6Very high32 Ų3252.4 Ų52.417%0.17128%0.279CS..  trans-64.8135.1171.2-74.5-14.1000111.5I69 V70 F80 Q81 P82 V86I69-D84 CarbonylContact C-O 3.23Å; I69-D84 WeakPolarHBondContact CA-O 3.3Å; V70-D84 HydrophobicContact CB-CB 4.39Å; V70-D84 HydrophobicContact CG2-CB 4.06Å; V70-D84 PolarHBondContact N-O 2.89Å; F80-D84 VanDerWaalsContact CA-OD2 3.29Å; F80-D84 WeakPolarHBondContact CA-OD2 3.26Å; Q81-D84 WeakPolarHBondContact CG-OD1 3.35Å; Q81-D84 PolarHBondContact N-OD2 3.27Å; Q81-D84 WeakPolarHBondContact O-CB 3.42Å; Q81-D84 PolarHBondContact O-N 2.92Å; P82-D84 PolarHBondContact O-N 3.11Å; D84-V86 HydrophobicContact CB-CG1 4.39Å
85E98.3Very high95.2Very high51 Ų5154.9 Ų54.924%0.23830%0.299CS..EExtended strand (participates in β ladder)trans-83.6126.8171-52.1-162.9162.800110.7G68 D83 Q112 K113 W119G68-E85 WeakPolarHBondContact O-CA 3.18Å; D83-E85 PolarHBondContact O-N 3.13Å; E85-Q112 WeakPolarHBondContact O-CA 3.23Å; E85-K113 HydrophobicContact CB-CB 4.12Å; E85-K113 HydrophobicContact CB-CD 4.36Å; E85-K113 PolarHBondContact O-N 3.24Å; E85-K113 IonicContact OE2-NZ 2.66Å; E85-K113 PolarHBondContact OE2-NZ 2.93Å; E85-W119 HydrophobicContact CB-CH2 3.76Å; E85-W119 HydrophobicContact CB-CZ3 4.08Å; E85-W119 HydrophobicContact CG-CH2 3.53Å; E85-W119 HydrophobicContact CG-CZ2 4.31Å; E85-W119 HydrophobicContact CG-CZ3 4.35Å; E85-W119 WeakPolarHBondContact OE1-CH2 3.13Å; E85-W119 WeakPolarHBondContact OE1-CZ2 3.22Å; E85-W119 WeakPolarHBondContact OE2-CH2 3.36Å
86V98.4Very high94.9Very high0 Ų050.6 Ų50.60%027%0.269CS..EExtended strand (participates in β ladder)trans-135.5154.4-172.5-62.30000112.9V35 V67 G68 V70 F80 D84 L110 V111V35-V86 HydrophobicContact CG1-CG2 3.85Å; V35-V86 HydrophobicContact CG2-CG2 3.86Å; V67-V86 WeakPolarHBondContact CA-O 3.06Å; V67-V86 VanDerWaalsContact CG1-O 3.31Å; V67-V86 WeakPolarHBondContact CG1-O 3.3Å; G68-V86 PolarHBondContact N-O 3.41Å; G68-V86 PolarHBondContact O-N 2.98Å; V70-V86 HydrophobicContact CG2-CG1 3.77Å; V70-V86 HydrophobicContact CG2-CG2 3.99Å; F80-V86 HydrophobicContact CD1-CG1 3.58Å; F80-V86 HydrophobicContact CE1-CG1 3.55Å; F80-V86 HydrophobicContact CG-CG1 4.41Å; F80-V86 HydrophobicContact CZ-CG1 4.38Å; D84-V86 HydrophobicContact CB-CG1 4.39Å; V86-L110 HydrophobicContact CB-CD2 4.15Å; V86-L110 HydrophobicContact CG2-CD1 4.23Å; V86-L110 HydrophobicContact CG2-CD2 3.97Å; V86-V111 WeakPolarHBondContact CA-O 3.26Å
87V98.1Very high94.8Very high0 Ų044.2 Ų44.20%024%0.241CC..EExtended strand (participates in β ladder)trans-128.3144.3168.252.20000109.8I66 V67 L110 V111 V122 I126 V312I66-V87 WeakPolarHBondContact O-CA 3.31Å; V67-V87 HydrophobicContact CG1-CB 4.21Å; V67-V87 HydrophobicContact CG2-CB 4.01Å; V67-V87 HydrophobicContact CG2-CG2 3.81Å; V87-L110 CarbonylContact O-C 3.58Å; V87-L110 WeakPolarHBondContact O-CA 3.12Å; V87-V111 HydrophobicContact CG1-CG2 3.51Å; V87-V111 PolarHBondContact N-O 2.92Å; V87-V111 PolarHBondContact O-N 3.17Å; V87-V122 HydrophobicContact CB-CG1 3.64Å; V87-V122 HydrophobicContact CG1-CG1 3.8Å; V87-V122 HydrophobicContact CG2-CG1 3.66Å; V87-I126 HydrophobicContact CG2-CB 4.05Å; V87-I126 HydrophobicContact CG2-CD1 4.31Å; V87-I126 HydrophobicContact CG2-CG1 3.82Å; V87-I126 HydrophobicContact CG2-CG2 4.11Å; V87-V312 HydrophobicContact CG1-CG2 3.7Å
88G95.9Very high94.6Very high0 Ų043.2 Ų43.20%024%0.236CC..EExtended strand (participates in β ladder)trans-158.5173.317100000113.6I66 H109I66-G88 PolarHBondContact N-O 3.19Å; I66-G88 PolarHBondContact O-N 2.94Å; G88-H109 WeakPolarHBondContact CA-O 3.47Å
89I95.3Very high94.6Very high13 Ų1338 Ų387%0.06720%0.204CC..EExtended strand (participates in β ladder)trans-115120.7171.1-58.3174000107R64 E65 I126 R127 L130 M308R64-I89 HydrophobicContact CB-CG2 4.2Å; R64-I89 CarbonylContact O-C 3.56Å; R64-I89 WeakPolarHBondContact O-CA 3.15Å; E65-I89 HydrophobicContact CG-CG1 4.4Å; I89-I126 HydrophobicContact CD1-CG1 4.45Å; I89-I126 HydrophobicContact CD1-CG2 4.38Å; I89-I126 HydrophobicContact CG1-CG1 4.46Å; I89-I126 HydrophobicContact CG1-CG2 4.07Å; I89-R127 HydrophobicContact CD1-CB 4.17Å; I89-L130 HydrophobicContact CD1-CD2 3.81Å; I89-M308 HydrophobicContact CD1-CE 4.39Å; I89-M308 HydrophobicContact CD1-SD 4.17Å; I89-M308 HydrophobicContact CG1-CE 4.15Å
90L94.1Very high94.5Very high2 Ų232.4 Ų32.41%0.0118%0.179CC..  trans-61.9134.8176.1-65.3173000109.7R64 I66 T94 V103 I105R64-L90 HydrophobicContact CB-CB 4.18Å; R64-L90 HydrophobicContact CG-CB 4.29Å; R64-L90 VanDerWaalsContact CZ-O 3.27Å; R64-L90 PolarHBondContact NE-O 3.29Å; R64-L90 PolarHBondContact NH2-O 2.98Å; R64-L90 PolarHBondContact O-N 3.36Å; I66-L90 HydrophobicContact CG1-CD2 4.46Å; I66-L90 HydrophobicContact CG1-CG 4.35Å; I66-L90 HydrophobicContact CG2-CD1 4.1Å; I66-L90 HydrophobicContact CG2-CG 4.35Å; L90-T94 HydrophobicContact CB-CG2 4.47Å; L90-T94 HydrophobicContact CD2-CG2 4.37Å; L90-V103 HydrophobicContact CD1-CG1 4.5Å; L90-V103 HydrophobicContact CD2-CG2 4.35Å; L90-I105 HydrophobicContact CD2-CB 4Å; L90-I105 HydrophobicContact CD2-CD1 3.7Å; L90-I105 HydrophobicContact CD2-CG1 3.88Å
91P91.8Very high94.3Very high18 Ų1836.1 Ų36.112%0.11720%0.197CC..  trans-55147.7171.1-28.736.3000112.5D93 T94P91-D93 WeakPolarHBondContact CB-OD1 3.46Å; P91-D93 PolarHBondContact O-N 3.4Å; P91-T94 VanDerWaalsContact CD-OG1 3.31Å; P91-T94 WeakPolarHBondContact CD-OG1 3.4Å; P91-T94 WeakPolarHBondContact O-CB 3.47Å; P91-T94 PolarHBondContact O-N 3.38Å; P91-T94 PolarHBondContact O-OG1 3.43Å
92L89.2Confident94.1Very high24 Ų2430.3 Ų30.313%0.12617%0.17CC..THydrogen-bonded Turntrans-61.2-30.6-176.4-172.468.5000113.2L49 L53 L55 T94 E292L49-L92 HydrophobicContact CD2-CD2 3.99Å; L49-L92 HydrophobicContact CG-CD2 4.23Å; L53-L92 HydrophobicContact CD1-CD2 3.56Å; L55-L92 HydrophobicContact CD1-CB 4.44Å; L55-L92 HydrophobicContact CD1-CD2 3.96Å; L55-L92 HydrophobicContact CD1-CG 3.98Å; L92-T94 VanDerWaalsContact C-N 3.29Å; L92-T94 PolarHBondContact O-N 2.87Å; L92-E292 HydrophobicContact CD2-CG 4.4Å
93D88.4Confident94Very high93 Ų9327.4 Ų27.450%0.49715%0.151SC..THydrogen-bonded Turntrans-81.2-4.1178.166.9-28.8000113.6L55 R57 P91 A95L55-D93 HydrophobicContact CD1-CB 4.24Å; L55-D93 HydrophobicContact CD2-CB 3.82Å; R57-D93 PolarHBondContact NH1-O 3.04Å; R57-D93 VanDerWaalsContact NH1-O 3.1Å; R57-D93 PolarHBondContact NH2-O 2.85Å; P91-D93 WeakPolarHBondContact CB-OD1 3.46Å; P91-D93 PolarHBondContact O-N 3.4Å; D93-A95 PolarHBondContact O-N 2.84Å
94T89.8Confident94Very high25 Ų2521.6 Ų21.615%0.15312%0.121CC..  trans-60.3133.2177.9-58.20000110.6R57 P61 L90 P91 L92 M96R57-T94 VanDerWaalsContact NH1-C 3.25Å; R57-T94 PolarHBondContact NH1-O 3.21Å; P61-T94 WeakPolarHBondContact CG-O 3.37Å; L90-T94 HydrophobicContact CB-CG2 4.47Å; L90-T94 HydrophobicContact CD2-CG2 4.37Å; P91-T94 VanDerWaalsContact CD-OG1 3.31Å; P91-T94 WeakPolarHBondContact CD-OG1 3.4Å; P91-T94 WeakPolarHBondContact O-CB 3.47Å; P91-T94 PolarHBondContact O-N 3.38Å; P91-T94 PolarHBondContact O-OG1 3.43Å; L92-T94 VanDerWaalsContact C-N 3.29Å; L92-T94 PolarHBondContact O-N 2.87Å; T94-M96 HydrophobicContact CG2-CB 4Å
95A89.6Confident93.8Very high56 Ų5620.3 Ų20.346%0.46311%0.114SC..  trans-86.8-12.2178.200000113.7R57 D93R57-A95 VanDerWaalsContact NH1-CA 3.32Å; D93-A95 PolarHBondContact O-N 2.84Å
96M91.1Very high93.6Very high27 Ų2720.3 Ų20.313%0.13312%0.115CC..SBendtrans-91136-178.5-62.1-173.168.100111.3V24 P61 T94 V103 V104V24-M96 HydrophobicContact CB-CE 4.26Å; V24-M96 HydrophobicContact CG1-CE 4.09Å; V24-M96 HydrophobicContact CG2-CE 3.44Å; V24-M96 VanDerWaalsContact CG2-CE 3.44Å; P61-M96 VanDerWaalsContact CB-C 3.45Å; P61-M96 WeakPolarHBondContact CB-O 3.29Å; T94-M96 HydrophobicContact CG2-CB 4Å; M96-V103 HydrophobicContact CE-CB 4.35Å; M96-V103 HydrophobicContact CE-CG1 4.47Å; M96-V104 HydrophobicContact SD-CB 4Å; M96-V104 HydrophobicContact SD-CG2 4.37Å
97S93.9Very high93.5Very high1 Ų120.8 Ų20.81%0.00712%0.117CC..  trans-72132.3170.8177.90000110.1L4 V62 L99 C100 V103L4-S97 PolarHBondContact N-OG 3.05Å; L4-S97 WeakPolarHBondContact O-CB 3.28Å; L4-S97 PolarHBondContact O-OG 3Å; V62-S97 PolarHBondContact O-OG 3.17Å; S97-L99 PolarHBondContact O-N 3.06Å; S97-L99 PolarHBondContact OG-N 2.51Å; S97-C100 WeakPolarHBondContact O-CB 3.28Å; S97-V103 VanDerWaalsContact O-CG1 3.22Å; S97-V103 WeakPolarHBondContact O-CG1 3.31Å
98G94.4Very high93.2Very high0 Ų023.2 Ų23.20%013%0.13CC..SBendtrans-69.3-17.8169.300000112.6V62 G63 C100V62-G98 PolarHBondContact O-N 3.23Å; G63-G98 WeakPolarHBondContact O-CA 2.89Å; G63-G98 PolarHBondContact O-N 3.25Å; G98-C100 PolarHBondContact O-N 3.17Å; G98-C100 VanDerWaalsContact O-N 3.14Å
99L94.4Very high93.1Very high0 Ų024.4 Ų24.40%014%0.136CC..SBendtrans-86.351.8171.5-66169000111.1G3 L4 C40 L42 V62 S97 L330 I351G3-L99 WeakPolarHBondContact CA-O 3.29Å; L4-L99 HydrophobicContact CB-CB 3.91Å; L4-L99 HydrophobicContact CB-CD1 3.85Å; L4-L99 HydrophobicContact CD2-CD1 3.55Å; L4-L99 HydrophobicContact CG-CD1 4.28Å; L4-L99 PolarHBondContact N-O 3.47Å; C40-L99 HydrophobicContact CB-CD2 3.78Å; C40-L99 HydrophobicContact CB-CG 4.44Å; L42-L99 HydrophobicContact CD2-CD1 3.58Å; L42-L99 HydrophobicContact CD2-CD2 4.14Å; L42-L99 HydrophobicContact CD2-CG 4.37Å; V62-L99 HydrophobicContact CB-CD1 4.01Å; V62-L99 HydrophobicContact CG1-CD1 3.6Å; V62-L99 PolarHBondContact O-N 3.27Å; S97-L99 PolarHBondContact O-N 3.06Å; S97-L99 PolarHBondContact OG-N 2.51Å; L99-L330 HydrophobicContact CB-CD1 4.16Å; L99-I351 HydrophobicContact CD2-CB 3.44Å; L99-I351 VanDerWaalsContact CD2-CB 3.44Å; L99-I351 HydrophobicContact CD2-CG1 3.45Å; L99-I351 VanDerWaalsContact CD2-CG1 3.45Å; L99-I351 HydrophobicContact CD2-CG2 3.82Å
100C92.8Very high93.2Very high1 Ų124 Ų241%0.00713%0.134CC..BIsolated β-bridgetrans-134.1151.2177.3-168.70000109.6K2 T22 V37 S97 G98 A102 L353K2-C100 WeakPolarHBondContact O-CA 3.31Å; K2-C100 PolarHBondContact O-SG 2.91Å; T22-C100 VanDerWaalsContact CG2-SG 3.56Å; V37-C100 VanDerWaalsContact CB-O 3.32Å; V37-C100 WeakPolarHBondContact CB-O 3.49Å; V37-C100 VanDerWaalsContact CG2-O 3.25Å; V37-C100 WeakPolarHBondContact CG2-O 3.31Å; S97-C100 WeakPolarHBondContact O-CB 3.28Å; G98-C100 PolarHBondContact O-N 3.17Å; G98-C100 VanDerWaalsContact O-N 3.14Å; C100-A102 PolarHBondContact O-N 3.01Å; C100-A102 VanDerWaalsContact O-N 3.11Å; C100-L353 VanDerWaalsContact C-CD2 3.45Å; C100-L353 WeakPolarHBondContact O-CD2 3.22Å
101E92.9Very high93.3Very high97 Ų9723.9 Ų23.945%0.45313%0.133SC..SBendtrans-55.1-30.7-179.5-66.2170.2149.600113.1M1 Q36 V37M1-E101 HydrophobicContact CB-CB 4.36Å; M1-E101 VanDerWaalsContact CB-OE2 3.25Å; M1-E101 WeakPolarHBondContact CB-OE2 3.47Å; M1-E101 HydrophobicContact CG-CB 4.33Å; M1-E101 WeakPolarHBondContact CG-OE2 3.48Å; M1-E101 HydrophobicContact SD-CB 3.67Å; Q36-E101 WeakPolarHBondContact CA-O 3.4Å; V37-E101 PolarHBondContact N-O 2.97Å
102A94.9Very high93.6Very high2 Ų228.8 Ų28.82%0.01716%0.155CC..EExtended strand (participates in β ladder)trans-146.8152.1169.200000112.6M1 V35 L71 C100M1-A102 HydrophobicContact CE-CB 3.67Å; M1-A102 HydrophobicContact SD-CB 4.16Å; V35-A102 CarbonylContact O-C 3.59Å; V35-A102 WeakPolarHBondContact O-CA 3.46Å; V35-A102 WeakPolarHBondContact O-CB 3.46Å; L71-A102 HydrophobicContact CD1-CB 4.34Å; C100-A102 PolarHBondContact O-N 3.01Å; C100-A102 VanDerWaalsContact O-N 3.11Å
103V95.8Very high94Very high0 Ų028.1 Ų28.10%015%0.151CC..EExtended strand (participates in β ladder)trans-131.1156175.8-62.90000111.7K34 V35 V37 I66 L90 M96 S97K34-V103 CarbonylContact C-O 3.53Å; K34-V103 WeakPolarHBondContact CA-O 3.39Å; V35-V103 HydrophobicContact CB-CG2 4.27Å; V35-V103 PolarHBondContact N-O 2.8Å; V35-V103 PolarHBondContact O-N 3.33Å; V37-V103 HydrophobicContact CG2-CB 4.42Å; V37-V103 HydrophobicContact CG2-CG1 3.96Å; V37-V103 HydrophobicContact CG2-CG2 3.81Å; I66-V103 HydrophobicContact CD1-CG2 3.76Å; I66-V103 HydrophobicContact CG1-CG2 4.34Å; L90-V103 HydrophobicContact CD1-CG1 4.5Å; L90-V103 HydrophobicContact CD2-CG2 4.35Å; M96-V103 HydrophobicContact CE-CB 4.35Å; M96-V103 HydrophobicContact CE-CG1 4.47Å; S97-V103 VanDerWaalsContact O-CG1 3.22Å; S97-V103 WeakPolarHBondContact O-CG1 3.31Å
104V95.8Very high94.2Very high12 Ų1226 Ų267%0.07314%0.142CC..EExtended strand (participates in β ladder)trans-110123.7171.41790000108.4V24 L28 Q32 V33 K34 M96V24-V104 HydrophobicContact CG1-CG2 3.73Å; L28-V104 HydrophobicContact CD2-CB 4.5Å; L28-V104 HydrophobicContact CD2-CG1 3.85Å; L28-V104 HydrophobicContact CD2-CG2 3.76Å; Q32-V104 HydrophobicContact CB-CG1 3.71Å; Q32-V104 VanDerWaalsContact CD-CG1 3.45Å; Q32-V104 HydrophobicContact CG-CG1 3.89Å; V33-V104 WeakPolarHBondContact O-CA 3.46Å; K34-V104 HydrophobicContact CB-CG2 4.49Å; K34-V104 HydrophobicContact CG-CG2 4.41Å; M96-V104 HydrophobicContact SD-CB 4Å; M96-V104 HydrophobicContact SD-CG2 4.37Å
105I95Very high94.2Very high5 Ų532.9 Ų32.93%0.02617%0.172CC..EExtended strand (participates in β ladder)trans-138.4149.9-176.3-167.1-178.3000109.6Q32 V33 V35 L90 H109 L110Q32-I105 CarbonylContact C-O 3.52Å; Q32-I105 WeakPolarHBondContact CA-O 3.22Å; V33-I105 PolarHBondContact N-O 2.88Å; V33-I105 PolarHBondContact O-N 3.36Å; V35-I105 HydrophobicContact CG2-CG2 4.13Å; L90-I105 HydrophobicContact CD2-CB 4Å; L90-I105 HydrophobicContact CD2-CD1 3.7Å; L90-I105 HydrophobicContact CD2-CG1 3.88Å; I105-H109 HydrophobicContact CD1-CB 3.49Å; I105-H109 VanDerWaalsContact CD1-CB 3.49Å; I105-H109 HydrophobicContact CG1-CB 3.84Å; I105-L110 HydrophobicContact CD1-CD2 4.18Å; I105-L110 HydrophobicContact CD1-CG 4.4Å; I105-L110 HydrophobicContact CG2-CD1 3.6Å; I105-L110 HydrophobicContact CG2-CD2 3.9Å; I105-L110 HydrophobicContact CG2-CG 3.77Å
106N94.6Very high94.3Very high50 Ų5040 Ų4027%0.26719%0.193SC..EExtended strand (participates in β ladder)trans-70.9140.2174.6-172.9-71.7000110.6N31 N108 H109N31-N106 WeakPolarHBondContact O-CA 3.43Å; N106-N108 PolarHBondContact O-N 3.16Å; N106-N108 VanDerWaalsContact OD1-CB 3.3Å; N106-N108 WeakPolarHBondContact OD1-CB 3.33Å; N106-N108 PolarHBondContact OD1-N 3.39Å; N106-N108 PolarHBondContact OD1-ND2 3.01Å; N106-N108 VanDerWaalsContact OD1-ND2 3.07Å; N106-H109 PolarHBondContact O-N 3.12Å
107E94.9Very high94.4Very high10 Ų1039.5 Ų39.55%0.04719%0.191CC..G310 helixtrans-53.4-29.5-179.572.4-174.6132.900113N31 V33 V77 T78 F79 F80 H109 L110N31-E107 PolarHBondContact O-N 2.84Å; V33-E107 HydrophobicContact CG2-CB 3.87Å; V77-E107 WeakPolarHBondContact CA-OE1 3.29Å; V77-E107 WeakPolarHBondContact CA-OE2 3.5Å; V77-E107 HydrophobicContact CG1-CB 4.3Å; V77-E107 WeakPolarHBondContact CG1-OE2 3.4Å; T78-E107 PolarHBondContact N-OE2 3.33Å; F79-E107 HydrophobicContact CD2-CG 4.01Å; F79-E107 WeakPolarHBondContact CD2-OE2 3.48Å; F79-E107 PolarHBondContact N-OE2 3.45Å; F80-E107 HydrophobicContact CD2-CB 3.93Å; F80-E107 HydrophobicContact CE2-CB 4.03Å; F80-E107 WeakPolarHBondContact CE2-O 3.34Å; E107-H109 PolarHBondContact O-N 2.82Å; E107-H109 VanDerWaalsContact O-N 3.14Å; E107-L110 PolarHBondContact O-N 2.92Å; E107-L110 VanDerWaalsContact O-N 3.11Å
108N92.7Very high94.5Very high52 Ų5246.9 Ų46.928%0.27822%0.218SC..G310 helixtrans-68.2-11.5179.4-65.4-42.5000113.9N106 Q301 L305N106-N108 PolarHBondContact O-N 3.16Å; N106-N108 VanDerWaalsContact OD1-CB 3.3Å; N106-N108 WeakPolarHBondContact OD1-CB 3.33Å; N106-N108 PolarHBondContact OD1-N 3.39Å; N106-N108 PolarHBondContact OD1-ND2 3.01Å; N106-N108 VanDerWaalsContact OD1-ND2 3.07Å; N108-Q301 HydrophobicContact CB-CG 4.11Å; N108-Q301 PolarHBondContact O-NE2 3.49Å; N108-L305 WeakPolarHBondContact O-CD2 3.42Å
109H94Very high94.6Very high24 Ų2449.7 Ų49.711%0.11123%0.229CC..G310 helixtrans-98.61.1176.4-62.587.6000113.4G88 I105 N106 E107G88-H109 WeakPolarHBondContact CA-O 3.47Å; I105-H109 HydrophobicContact CD1-CB 3.49Å; I105-H109 VanDerWaalsContact CD1-CB 3.49Å; I105-H109 HydrophobicContact CG1-CB 3.84Å; N106-H109 PolarHBondContact O-N 3.12Å; E107-H109 PolarHBondContact O-N 2.82Å; E107-H109 VanDerWaalsContact O-N 3.14Å
110L96.4Very high94.7Very high4 Ų450.2 Ų50.22%0.02123%0.233CC..EExtended strand (participates in β ladder)trans-111.2148.6-176.3-67.2173.7000111.4V33 V35 I66 F80 V86 V87 I105 E107 L305V33-L110 HydrophobicContact CB-CD1 3.9Å; V33-L110 HydrophobicContact CG1-CD1 3.94Å; V33-L110 HydrophobicContact CG2-CD1 4.23Å; V35-L110 HydrophobicContact CG2-CD1 4.03Å; I66-L110 HydrophobicContact CD1-CD2 4.27Å; F80-L110 HydrophobicContact CE1-CB 4.44Å; F80-L110 HydrophobicContact CE2-CB 3.67Å; F80-L110 HydrophobicContact CE2-CD1 4.39Å; F80-L110 HydrophobicContact CZ-CB 3.59Å; V86-L110 HydrophobicContact CB-CD2 4.15Å; V86-L110 HydrophobicContact CG2-CD1 4.23Å; V86-L110 HydrophobicContact CG2-CD2 3.97Å; V87-L110 CarbonylContact O-C 3.58Å; V87-L110 WeakPolarHBondContact O-CA 3.12Å; I105-L110 HydrophobicContact CD1-CD2 4.18Å; I105-L110 HydrophobicContact CD1-CG 4.4Å; I105-L110 HydrophobicContact CG2-CD1 3.6Å; I105-L110 HydrophobicContact CG2-CD2 3.9Å; I105-L110 HydrophobicContact CG2-CG 3.77Å; E107-L110 PolarHBondContact O-N 2.92Å; E107-L110 VanDerWaalsContact O-N 3.11Å; L110-L305 WeakPolarHBondContact O-CD2 3.45Å
111V97.6Very high94.9Very high1 Ų152.7 Ų52.71%0.00624%0.244CC..EExtended strand (participates in β ladder)trans-131.6155.9163.3-60.70000109V86 V87 L305 M308 K309 V312V86-V111 WeakPolarHBondContact CA-O 3.26Å; V87-V111 HydrophobicContact CG1-CG2 3.51Å; V87-V111 PolarHBondContact N-O 2.92Å; V87-V111 PolarHBondContact O-N 3.17Å; V111-L305 HydrophobicContact CG1-CD2 3.74Å; V111-M308 HydrophobicContact CB-CB 4.5Å; V111-M308 HydrophobicContact CG1-CB 3.69Å; V111-M308 HydrophobicContact CG2-CB 3.95Å; V111-K309 HydrophobicContact CB-CG 3.99Å; V111-K309 HydrophobicContact CG1-CG 3.73Å; V111-V312 HydrophobicContact CG2-CG2 4.14Å
112Q97.6Very high95Very high120 Ų12048 Ų4856%0.56122%0.222SC*.EExtended strand (participates in β ladder)trans-65.7140176.1-70.6-177.8-900110.7F80 E85F80-Q112 HydrophobicContact CD1-CG 4.34Å; F80-Q112 HydrophobicContact CE1-CG 3.84Å; E85-Q112 WeakPolarHBondContact O-CA 3.23Å
113K96.8Very high95.1Very high10 Ų1048 Ų484%0.04322%0.221CC..PPolyproline II helixtrans-97.2124.1170.4177.4-158.2156.2-660108.3V67 E85 E115 L117 W119 V122V67-K113 HydrophobicContact CG1-CD 3.65Å; V67-K113 HydrophobicContact CG1-CG 4.44Å; E85-K113 HydrophobicContact CB-CB 4.12Å; E85-K113 HydrophobicContact CB-CD 4.36Å; E85-K113 PolarHBondContact O-N 3.24Å; E85-K113 IonicContact OE2-NZ 2.66Å; E85-K113 PolarHBondContact OE2-NZ 2.93Å; K113-E115 PolarHBondContact NZ-O 3.14Å; K113-E115 PolarHBondContact O-N 3.13Å; K113-L117 WeakPolarHBondContact CE-O 3.38Å; K113-L117 PolarHBondContact NZ-O 2.84Å; K113-W119 HydrophobicContact CD-CD2 4.36Å; K113-W119 HydrophobicContact CD-CE3 3.55Å; K113-W119 HydrophobicContact CD-CH2 4.16Å; K113-W119 HydrophobicContact CD-CZ3 3.42Å; K113-W119 VanDerWaalsContact CD-CZ3 3.42Å; K113-V122 HydrophobicContact CG-CG2 4.19Å
114P93.9Very high95.1Very high50 Ų5048 Ų4833%0.32522%0.222SC..PPolyproline II helixtrans-57.3133.3168.5-25.533.1000111.6K116 L117 V312P114-K116 PolarHBondContact O-N 3.2Å; P114-K116 VanDerWaalsContact O-N 3.11Å; P114-L117 HydrophobicContact CB-CD1 4.47Å; P114-L117 HydrophobicContact CG-CD1 4.26Å; P114-L117 PolarHBondContact O-N 3.33Å; P114-L117 VanDerWaalsContact O-N 3.09Å; P114-V312 HydrophobicContact CG-CG1 3.74Å
115E89.8Confident95.2Very high168 Ų16847.4 Ų47.479%0.78522%0.218SC*.THydrogen-bonded Turntrans-52.4-37.6-177.4-65.4177.6176.200112.9K113 L117K113-E115 PolarHBondContact NZ-O 3.14Å; K113-E115 PolarHBondContact O-N 3.13Å; E115-L117 VanDerWaalsContact C-N 3.25Å; E115-L117 PolarHBondContact O-N 3.13Å
116K90.5Very high95.2Very high205 Ų20547.2 Ų47.289%0.89122%0.217SC*.THydrogen-bonded Turntrans-67.2-20.5-176.4-64.5-176.9-179.2177.30114.6P114P114-K116 PolarHBondContact O-N 3.2Å; P114-K116 VanDerWaalsContact O-N 3.11Å
117L94.2Very high95.2Very high17 Ų1746.4 Ų46.49%0.08921%0.21CC..SBendtrans-80.7143.6-178.8-74178.9000111.2K113 P114 E115 V122 V312 L315K113-L117 WeakPolarHBondContact CE-O 3.38Å; K113-L117 PolarHBondContact NZ-O 2.84Å; P114-L117 HydrophobicContact CB-CD1 4.47Å; P114-L117 HydrophobicContact CG-CD1 4.26Å; P114-L117 PolarHBondContact O-N 3.33Å; P114-L117 VanDerWaalsContact O-N 3.09Å; E115-L117 VanDerWaalsContact C-N 3.25Å; E115-L117 PolarHBondContact O-N 3.13Å; L117-V122 HydrophobicContact CB-CG2 3.66Å; L117-V122 HydrophobicContact CD1-CG2 3.78Å; L117-V122 HydrophobicContact CG-CG2 4.3Å; L117-V312 HydrophobicContact CD1-CG1 4.13Å; L117-L315 HydrophobicContact CD1-CB 3.81Å; L117-L315 HydrophobicContact CD2-CB 4.14Å
118R95.6Very high95.3Very high156 Ų15646.1 Ų46.159%0.58921%0.209SC*.  trans-77142.3174.6-56.5-175.5-67.9157.20.6110V120 E121 V122R118-V120 PolarHBondContact O-N 2.96Å; R118-E121 HydrophobicContact CB-CB 4.43Å; R118-E121 HydrophobicContact CB-CG 4.08Å; R118-E121 VanDerWaalsContact CB-OE2 3.29Å; R118-E121 WeakPolarHBondContact CB-OE2 3.23Å; R118-E121 WeakPolarHBondContact CG-OE2 3.32Å; R118-E121 IonicContact CZ-OE1 2.76Å; R118-E121 VanDerWaalsContact CZ-OE1 3.25Å; R118-E121 PolarHBondContact N-OE2 3.09Å; R118-E121 IonicContact NE-OE1 3.18Å; R118-E121 PolarHBondContact NE-OE1 3.18Å; R118-E121 IonicContact NE-OE2 3.25Å; R118-E121 PolarHBondContact NE-OE2 2.94Å; R118-E121 VanDerWaalsContact NH2-CD 3.31Å; R118-E121 IonicContact NH2-OE1 3.81Å; R118-E121 PolarHBondContact NH2-OE1 2.81Å; R118-E121 PolarHBondContact O-N 2.77Å; R118-E121 VanDerWaalsContact O-N 3.17Å; R118-V122 PolarHBondContact O-N 2.76Å
119W96.9Very high95.4Very high59 Ų5943.6 Ų43.622%0.22320%0.196CC..Hα-helixtrans-50.4-46.5177.5-53.6107.9000112.5K38 A39 V67 G68 I69 E85 K113 E121 V122 A123K38-W119 HydrophobicContact CB-CB 4.32Å; K38-W119 HydrophobicContact CB-CD2 3.9Å; K38-W119 HydrophobicContact CB-CE3 4.06Å; K38-W119 HydrophobicContact CB-CG 3.99Å; K38-W119 HydrophobicContact CG-CD2 4.26Å; K38-W119 HydrophobicContact CG-CE3 4.34Å; A39-W119 HydrophobicContact CB-CB 3.83Å; V67-W119 HydrophobicContact CB-CE3 4.3Å; V67-W119 HydrophobicContact CG1-CE3 3.46Å; V67-W119 VanDerWaalsContact CG1-CE3 3.46Å; V67-W119 HydrophobicContact CG1-CZ3 3.92Å; G68-W119 WeakPolarHBondContact O-CZ3 3.45Å; I69-W119 HydrophobicContact CD1-CH2 4.36Å; I69-W119 HydrophobicContact CD1-CZ2 4.44Å; I69-W119 HydrophobicContact CG1-CH2 3.79Å; I69-W119 HydrophobicContact CG1-CZ2 4.34Å; I69-W119 HydrophobicContact CG1-CZ3 4.5Å; E85-W119 HydrophobicContact CB-CH2 3.76Å; E85-W119 HydrophobicContact CB-CZ3 4.08Å; E85-W119 HydrophobicContact CG-CH2 3.53Å; E85-W119 HydrophobicContact CG-CZ2 4.31Å; E85-W119 HydrophobicContact CG-CZ3 4.35Å; E85-W119 WeakPolarHBondContact OE1-CH2 3.13Å; E85-W119 WeakPolarHBondContact OE1-CZ2 3.22Å; E85-W119 WeakPolarHBondContact OE2-CH2 3.36Å; K113-W119 HydrophobicContact CD-CD2 4.36Å; K113-W119 HydrophobicContact CD-CE3 3.55Å; K113-W119 HydrophobicContact CD-CH2 4.16Å; K113-W119 HydrophobicContact CD-CZ3 3.42Å; K113-W119 VanDerWaalsContact CD-CZ3 3.42Å; W119-E121 PolarHBondContact O-N 3.5Å; W119-V122 PolarHBondContact O-N 2.94Å; W119-A123 WeakPolarHBondContact O-CB 3.4Å; W119-A123 PolarHBondContact O-N 3.02Å
120V96.7Very high95.5Very high12 Ų1242.8 Ų42.87%0.07319%0.192CC..Hα-helixtrans-65-40.7-176.8-178.10000111.6A39 R118 G124 L324 P327 V350A39-V120 HydrophobicContact CB-CG2 4.48Å; R118-V120 PolarHBondContact O-N 2.96Å; V120-G124 PolarHBondContact O-N 3.42Å; V120-L324 HydrophobicContact CG1-CD1 3.96Å; V120-P327 HydrophobicContact CB-CG 4.38Å; V120-P327 HydrophobicContact CG1-CB 4.3Å; V120-P327 HydrophobicContact CG1-CG 3.83Å; V120-P327 HydrophobicContact CG2-CB 4.06Å; V120-P327 HydrophobicContact CG2-CG 3.85Å; V120-V350 HydrophobicContact CB-CG1 4.25Å; V120-V350 HydrophobicContact CG1-CB 3.65Å; V120-V350 HydrophobicContact CG1-CG1 3.75Å; V120-V350 HydrophobicContact CG1-CG2 4.02Å; V120-V350 HydrophobicContact CG2-CG1 4.48Å
121E95.4Very high95.5Very high52 Ų5244.5 Ų44.524%0.24320%0.198CC..Hα-helixtrans-64-43.9179.2-68.9173.1146.500111.8R118 W119 G124 A125 P322 L324R118-E121 HydrophobicContact CB-CB 4.43Å; R118-E121 HydrophobicContact CB-CG 4.08Å; R118-E121 VanDerWaalsContact CB-OE2 3.29Å; R118-E121 WeakPolarHBondContact CB-OE2 3.23Å; R118-E121 WeakPolarHBondContact CG-OE2 3.32Å; R118-E121 IonicContact CZ-OE1 2.76Å; R118-E121 VanDerWaalsContact CZ-OE1 3.25Å; R118-E121 PolarHBondContact N-OE2 3.09Å; R118-E121 IonicContact NE-OE1 3.18Å; R118-E121 PolarHBondContact NE-OE1 3.18Å; R118-E121 IonicContact NE-OE2 3.25Å; R118-E121 PolarHBondContact NE-OE2 2.94Å; R118-E121 VanDerWaalsContact NH2-CD 3.31Å; R118-E121 IonicContact NH2-OE1 3.81Å; R118-E121 PolarHBondContact NH2-OE1 2.81Å; R118-E121 PolarHBondContact O-N 2.77Å; R118-E121 VanDerWaalsContact O-N 3.17Å; W119-E121 PolarHBondContact O-N 3.5Å; E121-G124 PolarHBondContact O-N 2.82Å; E121-A125 VanDerWaalsContact O-CB 3.31Å; E121-A125 WeakPolarHBondContact O-CB 3.2Å; E121-A125 PolarHBondContact O-N 2.76Å; E121-A125 VanDerWaalsContact O-N 3.11Å; E121-P322 HydrophobicContact CB-CG 4.5Å; E121-L324 HydrophobicContact CB-CD1 4.44Å; E121-L324 HydrophobicContact CG-CD1 4.04Å
122V97Very high95.5Very high0 Ų044.5 Ų44.50%020%0.199CC..Hα-helixtrans-69.2-43.7-178.9179.80000110.8V67 V87 K113 L117 R118 W119 G124 A125 I126 V312 L315V67-V122 HydrophobicContact CG1-CB 4.37Å; V67-V122 HydrophobicContact CG1-CG1 4.28Å; V67-V122 HydrophobicContact CG2-CB 4.07Å; V67-V122 HydrophobicContact CG2-CG1 3.9Å; V87-V122 HydrophobicContact CB-CG1 3.64Å; V87-V122 HydrophobicContact CG1-CG1 3.8Å; V87-V122 HydrophobicContact CG2-CG1 3.66Å; K113-V122 HydrophobicContact CG-CG2 4.19Å; L117-V122 HydrophobicContact CB-CG2 3.66Å; L117-V122 HydrophobicContact CD1-CG2 3.78Å; L117-V122 HydrophobicContact CG-CG2 4.3Å; R118-V122 PolarHBondContact O-N 2.76Å; W119-V122 PolarHBondContact O-N 2.94Å; V122-G124 VanDerWaalsContact C-N 3.34Å; V122-G124 PolarHBondContact O-N 3.24Å; V122-A125 PolarHBondContact O-N 3.48Å; V122-I126 WeakPolarHBondContact O-CB 3.33Å; V122-I126 PolarHBondContact O-N 2.78Å; V122-I126 VanDerWaalsContact O-N 3.16Å; V122-V312 HydrophobicContact CG1-CG2 4.48Å; V122-L315 HydrophobicContact CG2-CD1 4.36Å
123A96.9Very high95.4Very high0 Ų039.2 Ų39.20%017%0.174CC..Hα-helixtrans-59.4-46.9176.600000111A39 A41 V67 W119 A125 V350A39-A123 HydrophobicContact CB-CB 3.94Å; A41-A123 HydrophobicContact CB-CB 4.41Å; A41-A123 VanDerWaalsContact CB-O 3.26Å; A41-A123 WeakPolarHBondContact CB-O 3.22Å; V67-A123 VanDerWaalsContact CG2-CA 3.49Å; V67-A123 HydrophobicContact CG2-CB 3.62Å; V67-A123 VanDerWaalsContact CG2-N 3.32Å; W119-A123 WeakPolarHBondContact O-CB 3.4Å; W119-A123 PolarHBondContact O-N 3.02Å; A123-A125 VanDerWaalsContact C-N 3.29Å; A123-A125 PolarHBondContact O-N 3.1Å; A123-V350 HydrophobicContact CB-CG1 3.87Å
124G95.8Very high95.4Very high1 Ų139 Ų391%0.0117%0.174CC..Hα-helixtrans-69.9-23.4-17700000114.4V120 E121 V122 R348V120-G124 PolarHBondContact O-N 3.42Å; E121-G124 PolarHBondContact O-N 2.82Å; V122-G124 VanDerWaalsContact C-N 3.34Å; V122-G124 PolarHBondContact O-N 3.24Å; G124-R348 WeakPolarHBondContact O-CG 3.25Å
125A96.6Very high95.5Very high0 Ų036.7 Ų36.70%016%0.158CC..Hα-helixtrans-93.4-31.7-177.200000114.3E121 V122 A123 R127 D128 G129 L160 L315 P322E121-A125 VanDerWaalsContact O-CB 3.31Å; E121-A125 WeakPolarHBondContact O-CB 3.2Å; E121-A125 PolarHBondContact O-N 2.76Å; E121-A125 VanDerWaalsContact O-N 3.11Å; V122-A125 PolarHBondContact O-N 3.48Å; A123-A125 VanDerWaalsContact C-N 3.29Å; A123-A125 PolarHBondContact O-N 3.1Å; A125-R127 PolarHBondContact O-N 3.47Å; A125-D128 PolarHBondContact O-N 3.18Å; A125-G129 PolarHBondContact O-N 2.9Å; A125-L160 HydrophobicContact CB-CD1 4.4Å; A125-L315 HydrophobicContact CB-CD1 3.7Å; A125-L315 HydrophobicContact CB-CD2 3.68Å; A125-L315 HydrophobicContact CB-CG 4.27Å; A125-P322 HydrophobicContact CB-CB 3.9Å; A125-P322 HydrophobicContact CB-CG 3.98Å
126I95.9Very high95.9Very high0 Ų028.7 Ų28.70%012%0.121CC..Hα-helixtrans-63.9-43.6-157.5-164.263.3000114.2E65 V87 I89 V122 L130 M308 I311 V312E65-I126 HydrophobicContact CB-CG2 3.74Å; E65-I126 HydrophobicContact CG-CG2 3.84Å; V87-I126 HydrophobicContact CG2-CB 4.05Å; V87-I126 HydrophobicContact CG2-CD1 4.31Å; V87-I126 HydrophobicContact CG2-CG1 3.82Å; V87-I126 HydrophobicContact CG2-CG2 4.11Å; I89-I126 HydrophobicContact CD1-CG1 4.45Å; I89-I126 HydrophobicContact CD1-CG2 4.38Å; I89-I126 HydrophobicContact CG1-CG1 4.46Å; I89-I126 HydrophobicContact CG1-CG2 4.07Å; V122-I126 WeakPolarHBondContact O-CB 3.33Å; V122-I126 PolarHBondContact O-N 2.78Å; V122-I126 VanDerWaalsContact O-N 3.16Å; I126-L130 WeakPolarHBondContact O-CB 3.33Å; I126-L130 PolarHBondContact O-N 3.16Å; I126-M308 HydrophobicContact CD1-CE 3.58Å; I126-M308 HydrophobicContact CD1-SD 3.58Å; I126-M308 VanDerWaalsContact CD1-SD 3.58Å; I126-M308 HydrophobicContact CG1-CE 3.25Å; I126-M308 HydrophobicContact CG1-SD 3.56Å; I126-M308 VanDerWaalsContact CG1-SD 3.56Å; I126-I311 HydrophobicContact CD1-CB 4.22Å; I126-I311 HydrophobicContact CD1-CD1 4.32Å; I126-I311 HydrophobicContact CD1-CG2 3.92Å; I126-V312 HydrophobicContact CD1-CG2 4.19Å
127R94.6Very high96.1Very high33 Ų3321.5 Ų21.513%0.1259%0.09CC..Hα-helixtrans-69-47.2178.4171.2170.1172.7-105.2-3.2111.9S43 E65 I89 A125 G129 L130 R131 E291S43-R127 VanDerWaalsContact CB-NH1 3.25Å; S43-R127 PolarHBondContact OG-NH1 2.62Å; E65-R127 HydrophobicContact CG-CB 3.44Å; E65-R127 VanDerWaalsContact CG-CB 3.44Å; E65-R127 WeakPolarHBondContact OE1-CD 3.45Å; I89-R127 HydrophobicContact CD1-CB 4.17Å; A125-R127 PolarHBondContact O-N 3.47Å; R127-G129 VanDerWaalsContact C-N 3.29Å; R127-G129 PolarHBondContact O-N 3.43Å; R127-L130 PolarHBondContact O-N 3.35Å; R127-R131 WeakPolarHBondContact O-CG 3.46Å; R127-R131 PolarHBondContact O-N 2.67Å; R127-E291 IonicContact CZ-OE1 3.3Å; R127-E291 IonicContact NE-OE1 2.98Å; R127-E291 PolarHBondContact NE-OE1 3.45Å; R127-E291 IonicContact NH2-OE1 3.63Å; R127-E291 PolarHBondContact NH2-OE1 2.7Å
128D95.4Very high96.1Very high4 Ų422 Ų222%0.0219%0.094CC..Hα-helixtrans-70-30.4-178.5-70.1-47.6000111.8A125 R131 A132 F157 L160 R348A125-D128 PolarHBondContact O-N 3.18Å; D128-R131 PolarHBondContact O-N 3.03Å; D128-R131 IonicContact OD1-NH1 2.69Å; D128-R131 PolarHBondContact OD1-NH1 3.23Å; D128-R131 VanDerWaalsContact OD1-NH1 3.12Å; D128-A132 WeakPolarHBondContact O-CB 3.35Å; D128-A132 PolarHBondContact O-N 3.35Å; D128-F157 HydrophobicContact CB-CB 4.42Å; D128-L160 HydrophobicContact CB-CD1 3.78Å; D128-R348 IonicContact OD1-NH1 3.31Å; D128-R348 IonicContact OD2-CZ 3.1Å; D128-R348 IonicContact OD2-NE 3.94Å; D128-R348 IonicContact OD2-NH1 3.59Å; D128-R348 PolarHBondContact OD2-NH1 3.29Å
129G96.4Very high96.2Very high0 Ų016.4 Ų16.40%08%0.076CC..Hα-helixtrans-61.8-51.1167.200000111.3A125 R127 R131 A132 Y133 I311A125-G129 PolarHBondContact O-N 2.9Å; R127-G129 VanDerWaalsContact C-N 3.29Å; R127-G129 PolarHBondContact O-N 3.43Å; G129-R131 VanDerWaalsContact C-N 3.27Å; G129-R131 PolarHBondContact O-N 3.36Å; G129-A132 WeakPolarHBondContact O-CB 3.4Å; G129-A132 PolarHBondContact O-N 2.96Å; G129-Y133 WeakPolarHBondContact O-CD2 3.11Å; G129-Y133 PolarHBondContact O-N 3.46Å; G129-I311 VanDerWaalsContact C-CD1 3.43Å
130L95.8Very high96.2Very high7 Ų713.6 Ų13.64%0.0377%0.065CC..Hα-helixtrans-57.8-42.3177.6179.664.6000111.4I89 I126 R127 Y133 T134 W294 Y304 I307 I311I89-L130 HydrophobicContact CD1-CD2 3.81Å; I126-L130 WeakPolarHBondContact O-CB 3.33Å; I126-L130 PolarHBondContact O-N 3.16Å; R127-L130 PolarHBondContact O-N 3.35Å; L130-Y133 PolarHBondContact O-N 2.94Å; L130-T134 WeakPolarHBondContact O-CB 3.11Å; L130-T134 PolarHBondContact O-N 3.11Å; L130-T134 PolarHBondContact O-OG1 2.95Å; L130-W294 HydrophobicContact CD1-CG 4.13Å; L130-W294 HydrophobicContact CD2-CB 4.42Å; L130-W294 HydrophobicContact CD2-CG 4.47Å; L130-Y304 HydrophobicContact CD1-CD2 4.08Å; L130-Y304 HydrophobicContact CD1-CE2 4.39Å; L130-Y304 HydrophobicContact CD2-CD2 4.14Å; L130-Y304 HydrophobicContact CD2-CE2 3.77Å; L130-I307 HydrophobicContact CD1-CB 4.3Å; L130-I307 HydrophobicContact CD1-CG2 3.66Å; L130-I311 HydrophobicContact CB-CD1 4.29Å; L130-I311 VanDerWaalsContact N-CD1 3.29Å
131R95.6Very high96.2Very high39 Ų3921.9 Ų21.915%0.14710%0.095CC..Hα-helixtrans-58.6-46.7173.6-71.5172.382.3-138.6-5.4111.3R127 D128 G129 T134 A135 F157 E291R127-R131 WeakPolarHBondContact O-CG 3.46Å; R127-R131 PolarHBondContact O-N 2.67Å; D128-R131 PolarHBondContact O-N 3.03Å; D128-R131 IonicContact OD1-NH1 2.69Å; D128-R131 PolarHBondContact OD1-NH1 3.23Å; D128-R131 VanDerWaalsContact OD1-NH1 3.12Å; G129-R131 VanDerWaalsContact C-N 3.27Å; G129-R131 PolarHBondContact O-N 3.36Å; R131-T134 WeakPolarHBondContact O-CB 3.49Å; R131-T134 PolarHBondContact O-N 3.38Å; R131-A135 WeakPolarHBondContact O-CB 3.25Å; R131-A135 PolarHBondContact O-N 3.3Å; R131-F157 HydrophobicContact CB-CD2 3.63Å; R131-F157 HydrophobicContact CB-CE2 3.66Å; R131-E291 HydrophobicContact CG-CB 3.74Å; R131-E291 HydrophobicContact CG-CG 4.09Å; R131-E291 IonicContact NE-OE1 3.67Å; R131-E291 PolarHBondContact NE-OE1 3.5Å; R131-E291 IonicContact NE-OE2 3.99Å; R131-E291 PolarHBondContact NE-OE2 3.23Å
132A97.1Very high96.2Very high1 Ų120.5 Ų20.51%0.0089%0.089CC..Hα-helixtrans-61.5-45.9179.500000112.3D128 G129 T134 A135 L136 F157 L164D128-A132 WeakPolarHBondContact O-CB 3.35Å; D128-A132 PolarHBondContact O-N 3.35Å; G129-A132 WeakPolarHBondContact O-CB 3.4Å; G129-A132 PolarHBondContact O-N 2.96Å; A132-T134 VanDerWaalsContact C-N 3.3Å; A132-T134 PolarHBondContact O-N 3.21Å; A132-A135 PolarHBondContact O-N 3.06Å; A132-L136 WeakPolarHBondContact O-CB 3.46Å; A132-L136 WeakPolarHBondContact O-CG 3.12Å; A132-L136 PolarHBondContact O-N 3.47Å; A132-F157 HydrophobicContact CB-CE2 4.3Å; A132-L164 HydrophobicContact CB-CD2 4.22Å
133Y96.6Very high96.2Very high9 Ų922.7 Ų22.74%0.03511%0.107CC..Hα-helixtrans-63.4-35.9174.7-87.2-93.4000113.1G129 L130 H137 T138 L164 I307 D310 I311 K314G129-Y133 WeakPolarHBondContact O-CD2 3.11Å; G129-Y133 PolarHBondContact O-N 3.46Å; L130-Y133 PolarHBondContact O-N 2.94Å; Y133-H137 AromaticContact CD1-CE1 3.84Å; Y133-H137 AromaticContact CD1-ND1 3.59Å; Y133-H137 AromaticContact CE1-CE1 3.9Å; Y133-H137 WeakPolarHBondContact O-CB 3.36Å; Y133-H137 PolarHBondContact O-N 3.46Å; Y133-T138 PolarHBondContact O-N 3.19Å; Y133-L164 HydrophobicContact CD1-CD2 4.2Å; Y133-L164 HydrophobicContact CD2-CD2 3.5Å; Y133-L164 HydrophobicContact CE1-CD1 4.31Å; Y133-L164 HydrophobicContact CE1-CD2 4.22Å; Y133-L164 HydrophobicContact CE2-CD1 3.94Å; Y133-L164 HydrophobicContact CE2-CD2 3.48Å; Y133-L164 VanDerWaalsContact CE2-CD2 3.48Å; Y133-L164 HydrophobicContact CE2-CG 4.38Å; Y133-L164 HydrophobicContact CG-CD2 3.87Å; Y133-I307 HydrophobicContact CD1-CG1 4.37Å; Y133-I307 HydrophobicContact CD1-CG2 4.14Å; Y133-I307 HydrophobicContact CD2-CG2 3.98Å; Y133-I307 HydrophobicContact CG-CG2 3.64Å; Y133-D310 VanDerWaalsContact CE1-OD2 3.28Å; Y133-D310 WeakPolarHBondContact CE1-OD2 3.32Å; Y133-D310 VanDerWaalsContact CZ-OD2 3.23Å; Y133-D310 PolarHBondContact OH-OD2 3.09Å; Y133-I311 HydrophobicContact CD2-CD1 4.08Å; Y133-I311 HydrophobicContact CD2-CG1 3.72Å; Y133-I311 HydrophobicContact CE2-CD1 4.35Å; Y133-I311 HydrophobicContact CE2-CG1 3.49Å; Y133-I311 VanDerWaalsContact CE2-CG1 3.49Å; Y133-K314 VanDerWaalsContact OH-CD 3.29Å; Y133-K314 WeakPolarHBondContact OH-CD 3.31Å; Y133-K314 WeakPolarHBondContact OH-CE 3.34Å
134T95.6Very high96.2Very high7 Ų727.1 Ų27.14%0.04314%0.138CC..Iπ-helixtrans-64.9-51.2176.7-53.10000109.8L130 R131 A132 T138 L139 L289 W294L130-T134 WeakPolarHBondContact O-CB 3.11Å; L130-T134 PolarHBondContact O-N 3.11Å; L130-T134 PolarHBondContact O-OG1 2.95Å; R131-T134 WeakPolarHBondContact O-CB 3.49Å; R131-T134 PolarHBondContact O-N 3.38Å; A132-T134 VanDerWaalsContact C-N 3.3Å; A132-T134 PolarHBondContact O-N 3.21Å; T134-T138 WeakPolarHBondContact O-CA 3.43Å; T134-T138 WeakPolarHBondContact O-CB 3.33Å; T134-T138 PolarHBondContact O-N 2.88Å; T134-L139 HydrophobicContact CG2-CD1 4.38Å; T134-L139 HydrophobicContact CG2-CG 4.48Å; T134-L139 WeakPolarHBondContact O-CG 3.36Å; T134-L139 PolarHBondContact O-N 3.5Å; T134-L289 HydrophobicContact CG2-CD1 3.7Å; T134-W294 HydrophobicContact CG2-CZ2 4.5Å; T134-W294 PolarHBondContact OG1-NE1 2.9Å
135A97.4Very high96.2Very high0 Ų030 Ų300%017%0.168CC..Iπ-helixtrans-60.6-53.7179.200000111.8R131 A132 A140 F157 I229 V263 L289R131-A135 WeakPolarHBondContact O-CB 3.25Å; R131-A135 PolarHBondContact O-N 3.3Å; A132-A135 PolarHBondContact O-N 3.06Å; A135-A140 VanDerWaalsContact O-CB 3.23Å; A135-A140 WeakPolarHBondContact O-CB 3.5Å; A135-A140 PolarHBondContact O-N 3.46Å; A135-F157 HydrophobicContact CB-CZ 4.17Å; A135-I229 HydrophobicContact CB-CD1 3.76Å; A135-I229 HydrophobicContact CB-CG1 4.27Å; A135-V263 HydrophobicContact CB-CG1 3.99Å; A135-L289 HydrophobicContact CB-CD1 4.14Å; A135-L289 HydrophobicContact CB-CD2 4.29Å
136L97.8Very high96.2Very high0 Ų032.3 Ų32.30%018%0.178CC..Iπ-helixtrans-78.5-53.4-170.7-66.1170.5000112.8A132 A140 R141 M142 L148 L164 A165 I229A132-L136 WeakPolarHBondContact O-CB 3.46Å; A132-L136 WeakPolarHBondContact O-CG 3.12Å; A132-L136 PolarHBondContact O-N 3.47Å; L136-A140 CarbonylContact O-C 3.58Å; L136-R141 PolarHBondContact O-N 3.36Å; L136-M142 HydrophobicContact CB-CB 4.27Å; L136-M142 HydrophobicContact CB-CE 4.08Å; L136-M142 HydrophobicContact CB-SD 4.08Å; L136-M142 HydrophobicContact CD1-CE 4.41Å; L136-M142 HydrophobicContact CD1-SD 4.21Å; L136-M142 HydrophobicContact CD2-SD 3.8Å; L136-M142 HydrophobicContact CG-SD 4.25Å; L136-M142 VanDerWaalsContact O-CB 3.32Å; L136-M142 WeakPolarHBondContact O-CB 3.31Å; L136-M142 PolarHBondContact O-N 2.86Å; L136-L148 HydrophobicContact CD2-CD1 4.15Å; L136-L148 HydrophobicContact CD2-CD2 3.7Å; L136-L164 HydrophobicContact CD1-CB 4.16Å; L136-L164 HydrophobicContact CD1-CD2 4.11Å; L136-L164 HydrophobicContact CD1-CG 4.22Å; L136-A165 HydrophobicContact CD1-CB 4.18Å; L136-I229 HydrophobicContact CD2-CD1 3.45Å; L136-I229 VanDerWaalsContact CD2-CD1 3.45Å; L136-I229 HydrophobicContact CG-CD1 3.83Å
137H95.5Very high96.3Very high55 Ų5533.3 Ų33.326%0.25519%0.185SC..Iπ-helixtrans-86.8-33.8-173.9-62.376.7000113.2Y133 H168Y133-H137 AromaticContact CD1-CE1 3.84Å; Y133-H137 AromaticContact CD1-ND1 3.59Å; Y133-H137 AromaticContact CE1-CE1 3.9Å; Y133-H137 WeakPolarHBondContact O-CB 3.36Å; Y133-H137 PolarHBondContact O-N 3.46Å; H137-H168 AromaticContact CE1-CD2 3.72Å; H137-H168 AromaticContact CE1-NE2 3.53Å; H137-H168 AromaticContact NE2-CD2 3.51Å; H137-H168 AromaticContact NE2-CE1 3.6Å; H137-H168 AromaticContact NE2-NE2 3.06Å; H137-H168 PolarHBondContact NE2-NE2 2.8Å
138T93.8Very high96.5Very high26 Ų2631.8 Ų31.816%0.1618%0.179CC..Iπ-helixtrans-91.5-45.3-171.7-50.50000112.4Y133 T134 W294 R303Y133-T138 PolarHBondContact O-N 3.19Å; T134-T138 WeakPolarHBondContact O-CA 3.43Å; T134-T138 WeakPolarHBondContact O-CB 3.33Å; T134-T138 PolarHBondContact O-N 2.88Å; T138-W294 HydrophobicContact CG2-CH2 4.31Å; T138-W294 HydrophobicContact CG2-CZ2 4.11Å; T138-R303 PolarHBondContact OG1-NH2 2.91Å
139L96.4Very high96.7Very high40 Ų4031.6 Ų31.621%0.20918%0.178CC..Iπ-helixtrans-92.8-56.1-176.3-59.7178.2000111.6T134 R141 V263 L289T134-L139 HydrophobicContact CG2-CD1 4.38Å; T134-L139 HydrophobicContact CG2-CG 4.48Å; T134-L139 WeakPolarHBondContact O-CG 3.36Å; T134-L139 PolarHBondContact O-N 3.5Å; L139-R141 PolarHBondContact O-N 3.41Å; L139-V263 HydrophobicContact CB-CG2 3.87Å; L139-V263 HydrophobicContact CD1-CG1 3.83Å; L139-L289 HydrophobicContact CD1-CB 4.35Å; L139-L289 HydrophobicContact CD1-CD1 4Å
140A97.3Very high96.8Very high0 Ų031.6 Ų31.60%018%0.178CC..SBendtrans-81.6-11.6-176.300000114.7A135 L136 M142 I227 H261 V263A135-A140 VanDerWaalsContact O-CB 3.23Å; A135-A140 WeakPolarHBondContact O-CB 3.5Å; A135-A140 PolarHBondContact O-N 3.46Å; L136-A140 CarbonylContact O-C 3.58Å; A140-M142 PolarHBondContact O-N 3.2Å; A140-I227 HydrophobicContact CB-CB 4.45Å; A140-I227 HydrophobicContact CB-CD1 3.93Å; A140-I227 HydrophobicContact CB-CG1 4.1Å; A140-I227 HydrophobicContact CB-CG2 3.5Å; A140-H261 HydrophobicContact CB-CB 3.98Å; A140-H261 PolarHBondContact O-CD2 2.96Å; A140-V263 HydrophobicContact CB-CG2 3.93Å
141R96.5Very high96.9Very high186 Ų18631.6 Ų31.670%0.70218%0.178SC*.  trans47.847.7179.9-57.4179.9-177.1-178.81.9112.5L136 L139 A143L136-R141 PolarHBondContact O-N 3.36Å; L139-R141 PolarHBondContact O-N 3.41Å; R141-A143 PolarHBondContact O-N 2.97Å
142M97.3Very high96.9Very high22 Ų2230.5 Ų30.511%0.10818%0.175CC..  trans-50.4135-177.5-176.9-17765.800112.4L136 A140 A165 H168 V170 I227L136-M142 HydrophobicContact CB-CB 4.27Å; L136-M142 HydrophobicContact CB-CE 4.08Å; L136-M142 HydrophobicContact CB-SD 4.08Å; L136-M142 HydrophobicContact CD1-CE 4.41Å; L136-M142 HydrophobicContact CD1-SD 4.21Å; L136-M142 HydrophobicContact CD2-SD 3.8Å; L136-M142 HydrophobicContact CG-SD 4.25Å; L136-M142 VanDerWaalsContact O-CB 3.32Å; L136-M142 WeakPolarHBondContact O-CB 3.31Å; L136-M142 PolarHBondContact O-N 2.86Å; A140-M142 PolarHBondContact O-N 3.2Å; M142-A165 HydrophobicContact SD-CB 3.74Å; M142-H168 HydrophobicContact CE-CB 3.51Å; M142-V170 HydrophobicContact CG-CG2 3.43Å; M142-V170 VanDerWaalsContact CG-CG2 3.43Å; M142-V170 HydrophobicContact SD-CB 4.21Å; M142-V170 HydrophobicContact SD-CG1 4.49Å; M142-V170 HydrophobicContact SD-CG2 3.51Å; M142-V170 VanDerWaalsContact SD-CG2 3.51Å; M142-I227 HydrophobicContact CB-CD1 3.84Å; M142-I227 HydrophobicContact CG-CD1 3.95Å
143A96.3Very high96.8Very high46 Ų4630.5 Ų30.538%0.3818%0.175SC..  trans-130.2156.6173.500000110.3R141 H146 V170R141-A143 PolarHBondContact O-N 2.97Å; A143-H146 PolarHBondContact N-ND1 3.04Å; A143-H146 VanDerWaalsContact O-CB 3.31Å; A143-H146 WeakPolarHBondContact O-CB 3.25Å; A143-H146 VanDerWaalsContact O-CG 3.31Å; A143-H146 PolarHBondContact O-N 3.31Å; A143-V170 WeakPolarHBondContact O-CG2 3.31Å
144S96.9Very high96.8Very high94 Ų9430.1 Ų30.166%0.65717%0.174SC*.THydrogen-bonded Turntrans-58.7142.3174.9-177.80000110.8H146 H168 G169S144-H146 VanDerWaalsContact C-N 3.28Å; S144-H146 PolarHBondContact O-N 3.45Å; S144-H168 WeakPolarHBondContact CA-O 3.39Å; S144-H168 WeakPolarHBondContact CB-O 3.29Å; S144-G169 PolarHBondContact OG-O 2.79Å
145G95Very high96.7Very high62 Ų6230.4 Ų30.464%0.63918%0.176SC*.THydrogen-bonded Turntrans86.6-11.4-176.100000114.5G169G145-G169 PolarHBondContact N-O 2.92Å
146H97.7Very high96.6Very high47 Ų4731.6 Ų31.622%0.21818%0.184CC..  trans-64.7157.5169.8-71.5-177.6000111.5A143 S144 V170 K171 D226 I227A143-H146 PolarHBondContact N-ND1 3.04Å; A143-H146 VanDerWaalsContact O-CB 3.31Å; A143-H146 WeakPolarHBondContact O-CB 3.25Å; A143-H146 VanDerWaalsContact O-CG 3.31Å; A143-H146 PolarHBondContact O-N 3.31Å; S144-H146 VanDerWaalsContact C-N 3.28Å; S144-H146 PolarHBondContact O-N 3.45Å; H146-V170 HydrophobicContact CB-CG1 4.31Å; H146-V170 HydrophobicContact CB-CG2 4.38Å; H146-V170 WeakPolarHBondContact O-CA 3.47Å; H146-V170 WeakPolarHBondContact O-CG1 3.36Å; H146-K171 PolarHBondContact O-N 3.33Å; H146-D226 VanDerWaalsContact CA-OD2 3.27Å; H146-D226 WeakPolarHBondContact CA-OD2 3.32Å; H146-D226 HydrophobicContact CB-CB 4Å; H146-I227 HydrophobicContact CB-CD1 4.46Å
147T98.4Very high96.5Very high22 Ų2232 Ų3214%0.13519%0.186CC..EExtended strand (participates in β ladder)trans-107.9128.6167.7-53.70000110.1K171 L173 T220 V225 D226 I227T147-K171 CarbonylContact C-O 3.58Å; T147-K171 WeakPolarHBondContact CA-O 3.49Å; T147-K171 HydrophobicContact CG2-CB 4.44Å; T147-K171 HydrophobicContact CG2-CD 4.44Å; T147-K171 HydrophobicContact CG2-CG 4.5Å; T147-L173 HydrophobicContact CG2-CD1 3.3Å; T147-T220 HydrophobicContact CG2-CG2 4.12Å; T147-V225 HydrophobicContact CG2-CB 4.29Å; T147-V225 HydrophobicContact CG2-CG1 3.79Å; T147-D226 PolarHBondContact N-OD2 2.98Å; T147-D226 PolarHBondContact O-N 2.74Å; T147-I227 PolarHBondContact O-N 3.47Å
148L98.7Very high96.6Very high0 Ų029.4 Ų29.40%017%0.174CC..EExtended strand (participates in β ladder)trans-116.4130.6-178.3168.167.5000110.2L136 V150 A165 V170 K171 V172 L173 I227 I229L136-L148 HydrophobicContact CD2-CD1 4.15Å; L136-L148 HydrophobicContact CD2-CD2 3.7Å; L148-V150 HydrophobicContact CD1-CG2 4.19Å; L148-V150 HydrophobicContact CD2-CG2 3.6Å; L148-V150 HydrophobicContact CG-CG2 3.72Å; L148-A165 HydrophobicContact CD2-CB 3.43Å; L148-A165 VanDerWaalsContact CD2-CB 3.43Å; L148-V170 HydrophobicContact CB-CG1 3.61Å; L148-K171 PolarHBondContact N-O 2.95Å; L148-V172 HydrophobicContact CD2-CG1 4.39Å; L148-V172 HydrophobicContact CD2-CG2 4.41Å; L148-V172 CarbonylContact O-C 3.59Å; L148-V172 WeakPolarHBondContact O-CA 3.38Å; L148-L173 PolarHBondContact O-N 2.92Å; L148-I227 CarbonylContact C-O 3.5Å; L148-I227 WeakPolarHBondContact CA-O 3.39Å; L148-I227 HydrophobicContact CB-CB 4.47Å; L148-I227 HydrophobicContact CD1-CB 3.69Å; L148-I227 HydrophobicContact CD1-CG2 3.47Å; L148-I227 VanDerWaalsContact CD1-CG2 3.47Å; L148-I229 HydrophobicContact CD1-CD1 4.04Å; L148-I229 HydrophobicContact CD1-CG1 3.95Å
149L98.6Very high96.7Very high0 Ų028.3 Ų28.30%017%0.167CC..EExtended strand (participates in β ladder)trans-101.2120.6162.9177.962.4000110.1L151 L173 V225 I227 V228 I229 L255L149-L151 HydrophobicContact CD1-CD2 4.39Å; L149-L151 HydrophobicContact CD2-CD2 3.99Å; L149-L151 HydrophobicContact CG-CD2 4.01Å; L149-L173 WeakPolarHBondContact CA-O 3.32Å; L149-L173 HydrophobicContact CD1-CB 3.89Å; L149-V225 HydrophobicContact CB-CG1 4.29Å; L149-V225 HydrophobicContact CB-CG2 4.03Å; L149-I227 PolarHBondContact N-O 3.42Å; L149-V228 HydrophobicContact CB-CG2 4.38Å; L149-V228 WeakPolarHBondContact O-CA 3.33Å; L149-I229 PolarHBondContact O-N 3.35Å; L149-L255 HydrophobicContact CD2-CD1 3.79Å
150V98.4Very high96.7Very high0 Ų026.5 Ų26.50%016%0.157CC..EExtended strand (participates in β ladder)trans-104.3116.2172.2-175.50000109.3L148 I162 V172 L173 A174 S175L148-V150 HydrophobicContact CD1-CG2 4.19Å; L148-V150 HydrophobicContact CD2-CG2 3.6Å; L148-V150 HydrophobicContact CG-CG2 3.72Å; V150-I162 HydrophobicContact CB-CG1 4.35Å; V150-I162 HydrophobicContact CG2-CG1 4.1Å; V150-V172 HydrophobicContact CG2-CG1 4.12Å; V150-L173 PolarHBondContact N-O 2.98Å; V150-A174 CarbonylContact O-C 3.44Å; V150-A174 VanDerWaalsContact O-CA 3.28Å; V150-A174 WeakPolarHBondContact O-CA 3.27Å; V150-S175 PolarHBondContact O-N 3.09Å
151L97.6Very high96.8Very high7 Ų726.5 Ų26.54%0.03716%0.157CC..THydrogen-bonded Turntrans-79.7144.8172.1-55.7-173.4000111.2L149 G153 S175 L212 I229 D230 P247 I252L149-L151 HydrophobicContact CD1-CD2 4.39Å; L149-L151 HydrophobicContact CD2-CD2 3.99Å; L149-L151 HydrophobicContact CG-CD2 4.01Å; L151-G153 VanDerWaalsContact C-N 3.34Å; L151-G153 PolarHBondContact O-N 2.82Å; L151-S175 WeakPolarHBondContact CA-OG 3.37Å; L151-L212 HydrophobicContact CD2-CD2 4.09Å; L151-I229 PolarHBondContact N-O 3.34Å; L151-D230 HydrophobicContact CD1-CB 3.73Å; L151-D230 HydrophobicContact CG-CB 4.45Å; L151-P247 HydrophobicContact CD1-CG 3.57Å; L151-I252 HydrophobicContact CD1-CD1 3.91Å
152D95.5Very high96.8Very high17 Ų1717.7 Ų17.79%0.09112%0.124CC..THydrogen-bonded Turntrans49.954-172.5-16718.8000111.8A154 S155 S175 L177 R346D152-A154 PolarHBondContact O-N 2.88Å; D152-A154 VanDerWaalsContact O-N 3.11Å; D152-S155 VanDerWaalsContact O-CB 3.25Å; D152-S155 WeakPolarHBondContact O-CB 3.42Å; D152-S155 PolarHBondContact O-N 3.2Å; D152-S155 PolarHBondContact O-OG 3.27Å; D152-S175 PolarHBondContact N-OG 3.43Å; D152-L177 HydrophobicContact CB-CD1 4.05Å; D152-L177 HydrophobicContact CB-CG 4.32Å; D152-L177 VanDerWaalsContact CG-CD1 3.44Å; D152-L177 WeakPolarHBondContact OD1-CD1 3.43Å; D152-R346 IonicContact OD1-CZ 3.59Å; D152-R346 IonicContact OD1-NH1 3.66Å; D152-R346 PolarHBondContact OD1-NH1 2.9Å; D152-R346 IonicContact OD1-NH2 2.8Å; D152-R346 PolarHBondContact OD1-NH2 3.5Å; D152-R346 IonicContact OD2-CZ 3.4Å; D152-R346 IonicContact OD2-NH1 3.2Å; D152-R346 PolarHBondContact OD2-NH1 3.02Å; D152-R346 IonicContact OD2-NH2 2.7Å
153G96.6Very high96.8Very high0 Ų017.2 Ų17.20%012%0.122CC..THydrogen-bonded Turntrans-61.9-23.1-17100000114.2L151 S155 G158 V159 I162 S175L151-G153 VanDerWaalsContact C-N 3.34Å; L151-G153 PolarHBondContact O-N 2.82Å; G153-S155 VanDerWaalsContact C-N 3.27Å; G153-S155 PolarHBondContact O-N 3.13Å; G153-G158 CarbonylContact O-C 3.58Å; G153-G158 VanDerWaalsContact O-C 3.23Å; G153-V159 WeakPolarHBondContact O-CG2 3.45Å; G153-V159 PolarHBondContact O-N 2.96Å; G153-V159 VanDerWaalsContact O-N 3.08Å; G153-I162 WeakPolarHBondContact O-CD1 3.48Å; G153-S175 PolarHBondContact N-O 2.92Å
154A95.6Very high96.8Very high2 Ų215.1 Ų15.12%0.01710%0.104CC..THydrogen-bonded Turntrans-80.6-5.4177.400000113.4D152 D181 F184 L185 Q323D152-A154 PolarHBondContact O-N 2.88Å; D152-A154 VanDerWaalsContact O-N 3.11Å; A154-D181 HydrophobicContact CB-CB 3.59Å; A154-D181 WeakPolarHBondContact CB-OD1 3.44Å; A154-F184 HydrophobicContact CB-CD1 4Å; A154-F184 HydrophobicContact CB-CE1 4.39Å; A154-L185 HydrophobicContact CB-CD1 4.27Å; A154-L185 HydrophobicContact CB-CD2 4.48Å; A154-L185 HydrophobicContact CB-CG 4.21Å; A154-Q323 PolarHBondContact O-OE1 3.25Å
155S94.5Very high96.8Very high12 Ų1210.6 Ų10.68%0.0847%0.072CC..SBendtrans-65.9158.1172.167.80000111.7D152 G153 F157 G158 V159D152-S155 VanDerWaalsContact O-CB 3.25Å; D152-S155 WeakPolarHBondContact O-CB 3.42Å; D152-S155 PolarHBondContact O-N 3.2Å; D152-S155 PolarHBondContact O-OG 3.27Å; G153-S155 VanDerWaalsContact C-N 3.27Å; G153-S155 PolarHBondContact O-N 3.13Å; S155-F157 PolarHBondContact O-N 3Å; S155-G158 PolarHBondContact O-N 2.9Å; S155-G158 PolarHBondContact OG-N 2.75Å; S155-V159 WeakPolarHBondContact O-CG2 3.26Å; S155-V159 PolarHBondContact O-N 3.2Å
156P94.4Very high96.8Very high26 Ų2610.6 Ų10.617%0.1696%0.056CC..Hα-helixtrans-56.7-37.6178.2-27.437000113L160 R346 R348P156-L160 WeakPolarHBondContact O-CG 3.23Å; P156-L160 PolarHBondContact O-N 2.96Å; P156-R346 WeakPolarHBondContact CD-O 3.49Å; P156-R348 HydrophobicContact CB-CB 4.35Å; P156-R348 HydrophobicContact CG-CB 4.25Å
157F95.6Very high96.6Very high9 Ų914.2 Ų14.24%0.0397%0.068CC..Hα-helixtrans-70.2-43.7174168.5-117.1000112.7D128 R131 A132 A135 S155 L160 S161 I229 L289D128-F157 HydrophobicContact CB-CB 4.42Å; R131-F157 HydrophobicContact CB-CD2 3.63Å; R131-F157 HydrophobicContact CB-CE2 3.66Å; A132-F157 HydrophobicContact CB-CE2 4.3Å; A135-F157 HydrophobicContact CB-CZ 4.17Å; S155-F157 PolarHBondContact O-N 3Å; F157-L160 PolarHBondContact O-N 2.91Å; F157-S161 WeakPolarHBondContact CE2-OG 3.44Å; F157-S161 WeakPolarHBondContact O-CB 3.47Å; F157-S161 PolarHBondContact O-N 2.83Å; F157-S161 PolarHBondContact O-OG 3.42Å; F157-I229 HydrophobicContact CE1-CG2 3.4Å; F157-I229 VanDerWaalsContact CE1-CG2 3.4Å; F157-I229 HydrophobicContact CZ-CG2 3.57Å; F157-L289 HydrophobicContact CE1-CD2 4.31Å; F157-L289 HydrophobicContact CE2-CD2 4.2Å; F157-L289 HydrophobicContact CZ-CD2 3.7Å
158G96.9Very high96.4Very high0 Ų016.3 Ų16.30%08%0.076CC..Hα-helixtrans-60.9-46.7177.900000112.1G153 S155 L160 S161 I162G153-G158 CarbonylContact O-C 3.58Å; G153-G158 VanDerWaalsContact O-C 3.23Å; S155-G158 PolarHBondContact O-N 2.9Å; S155-G158 PolarHBondContact OG-N 2.75Å; G158-L160 PolarHBondContact O-N 2.8Å; G158-S161 WeakPolarHBondContact O-CB 3.45Å; G158-S161 PolarHBondContact O-N 2.66Å; G158-S161 VanDerWaalsContact O-N 3.14Å; G158-I162 VanDerWaalsContact O-CG1 3.23Å; G158-I162 WeakPolarHBondContact O-CG1 3.43Å; G158-I162 PolarHBondContact O-N 3.18Å
159V96.6Very high96.2Very high2 Ų218.2 Ų18.21%0.01210%0.096CC..Hα-helixtrans-60.7-42.3-179.8168.80000112.3G153 S155 Q163 F184G153-V159 WeakPolarHBondContact O-CG2 3.45Å; G153-V159 PolarHBondContact O-N 2.96Å; G153-V159 VanDerWaalsContact O-N 3.08Å; S155-V159 WeakPolarHBondContact O-CG2 3.26Å; S155-V159 PolarHBondContact O-N 3.2Å; V159-Q163 WeakPolarHBondContact O-CG 3.32Å; V159-Q163 PolarHBondContact O-N 3.41Å; V159-Q163 VanDerWaalsContact O-N 3.15Å; V159-Q163 PolarHBondContact O-NE2 3.4Å; V159-Q163 VanDerWaalsContact O-NE2 3.08Å; V159-F184 HydrophobicContact CG2-CE1 3.58Å; V159-F184 HydrophobicContact CG2-CZ 3.98Å
160L97.1Very high96.2Very high3 Ų318.5 Ų18.52%0.01610%0.098CC..Hα-helixtrans-72.1-35176.2-66.3-177.1000112A125 D128 P156 F157 G158 Q163 L164 L320A125-L160 HydrophobicContact CB-CD1 4.4Å; D128-L160 HydrophobicContact CB-CD1 3.78Å; P156-L160 WeakPolarHBondContact O-CG 3.23Å; P156-L160 PolarHBondContact O-N 2.96Å; F157-L160 PolarHBondContact O-N 2.91Å; G158-L160 PolarHBondContact O-N 2.8Å; L160-Q163 PolarHBondContact O-N 3.41Å; L160-L164 VanDerWaalsContact O-CB 3.25Å; L160-L164 WeakPolarHBondContact O-CB 3.01Å; L160-L164 PolarHBondContact O-N 2.94Å; L160-L320 HydrophobicContact CD2-CB 4.19Å; L160-L320 HydrophobicContact CD2-CD2 4.23Å
161S97.8Very high96.1Very high0 Ų022.2 Ų22.20%011%0.114CC..Hα-helixtrans-64.3-43.8174.8-59.80000111.9F157 G158 L164 A165F157-S161 WeakPolarHBondContact CE2-OG 3.44Å; F157-S161 WeakPolarHBondContact O-CB 3.47Å; F157-S161 PolarHBondContact O-N 2.83Å; F157-S161 PolarHBondContact O-OG 3.42Å; G158-S161 WeakPolarHBondContact O-CB 3.45Å; G158-S161 PolarHBondContact O-N 2.66Å; G158-S161 VanDerWaalsContact O-N 3.14Å; S161-L164 PolarHBondContact O-N 3.15Å; S161-A165 WeakPolarHBondContact O-CB 3.36Å; S161-A165 PolarHBondContact O-N 2.69Å
162I97.8Very high96.2Very high0 Ų022 Ų220%011%0.113CC..Hα-helixtrans-59.9-50.7175.8-68162.8000110.4V150 G153 G158 L164 A165 H166 V172 A174 L185 L188 L198 V199V150-I162 HydrophobicContact CB-CG1 4.35Å; V150-I162 HydrophobicContact CG2-CG1 4.1Å; G153-I162 WeakPolarHBondContact O-CD1 3.48Å; G158-I162 VanDerWaalsContact O-CG1 3.23Å; G158-I162 WeakPolarHBondContact O-CG1 3.43Å; G158-I162 PolarHBondContact O-N 3.18Å; I162-L164 PolarHBondContact O-N 3.38Å; I162-A165 PolarHBondContact O-N 2.98Å; I162-H166 VanDerWaalsContact O-CB 3.31Å; I162-H166 WeakPolarHBondContact O-CB 3.37Å; I162-H166 PolarHBondContact O-N 2.88Å; I162-V172 HydrophobicContact CB-CG1 4.32Å; I162-V172 HydrophobicContact CG1-CG1 3.83Å; I162-V172 HydrophobicContact CG2-CG1 4.2Å; I162-A174 HydrophobicContact CD1-CB 3.98Å; I162-L185 HydrophobicContact CD1-CD2 3.7Å; I162-L188 HydrophobicContact CG2-CD2 4.07Å; I162-L198 HydrophobicContact CG2-CB 3.89Å; I162-V199 HydrophobicContact CD1-CG2 4.1Å; I162-V199 HydrophobicContact CG2-CG2 3.73Å
163Q96.6Very high96.3Very high13 Ų1321.2 Ų21.26%0.06111%0.109CC..Hα-helixtrans-62-43.9-179.5-75.8173.582.800112V159 L160 Y167 L198 T319 L320 R321V159-Q163 WeakPolarHBondContact O-CG 3.32Å; V159-Q163 PolarHBondContact O-N 3.41Å; V159-Q163 VanDerWaalsContact O-N 3.15Å; V159-Q163 PolarHBondContact O-NE2 3.4Å; V159-Q163 VanDerWaalsContact O-NE2 3.08Å; L160-Q163 PolarHBondContact O-N 3.41Å; Q163-Y167 WeakPolarHBondContact O-CB 3.44Å; Q163-Y167 PolarHBondContact O-N 3.35Å; Q163-L198 HydrophobicContact CB-CD1 4.5Å; Q163-L198 HydrophobicContact CG-CD1 3.55Å; Q163-T319 PolarHBondContact OE1-O 3.41Å; Q163-L320 HydrophobicContact CB-CD2 3.76Å; Q163-R321 PolarHBondContact NE2-O 3.44Å
164L96.6Very high96.4Very high1 Ų121.2 Ų21.21%0.00511%0.109CC..Hα-helixtrans-67.3-43.4179.3-174.458.7000111.9A132 Y133 L136 L160 S161 I162 Y167 H168 K314 L320A132-L164 HydrophobicContact CB-CD2 4.22Å; Y133-L164 HydrophobicContact CD1-CD2 4.2Å; Y133-L164 HydrophobicContact CD2-CD2 3.5Å; Y133-L164 HydrophobicContact CE1-CD1 4.31Å; Y133-L164 HydrophobicContact CE1-CD2 4.22Å; Y133-L164 HydrophobicContact CE2-CD1 3.94Å; Y133-L164 HydrophobicContact CE2-CD2 3.48Å; Y133-L164 VanDerWaalsContact CE2-CD2 3.48Å; Y133-L164 HydrophobicContact CE2-CG 4.38Å; Y133-L164 HydrophobicContact CG-CD2 3.87Å; L136-L164 HydrophobicContact CD1-CB 4.16Å; L136-L164 HydrophobicContact CD1-CD2 4.11Å; L136-L164 HydrophobicContact CD1-CG 4.22Å; L160-L164 VanDerWaalsContact O-CB 3.25Å; L160-L164 WeakPolarHBondContact O-CB 3.01Å; L160-L164 PolarHBondContact O-N 2.94Å; S161-L164 PolarHBondContact O-N 3.15Å; I162-L164 PolarHBondContact O-N 3.38Å; L164-Y167 WeakPolarHBondContact O-CB 3.33Å; L164-Y167 PolarHBondContact O-N 3.14Å; L164-H168 PolarHBondContact O-CD2 2.85Å; L164-H168 VanDerWaalsContact O-CD2 3.23Å; L164-H168 PolarHBondContact O-N 2.88Å; L164-K314 HydrophobicContact CD1-CD 4.11Å; L164-L320 HydrophobicContact CB-CD2 4.28Å
165A97.1Very high96.5Very high0 Ų021.3 Ų21.30%011%0.11CC..Hα-helixtrans-63.1-46.4177.400000111.6L136 M142 L148 S161 I162 Y167 H168 G169 V170 V172L136-A165 HydrophobicContact CD1-CB 4.18Å; M142-A165 HydrophobicContact SD-CB 3.74Å; L148-A165 HydrophobicContact CD2-CB 3.43Å; L148-A165 VanDerWaalsContact CD2-CB 3.43Å; S161-A165 WeakPolarHBondContact O-CB 3.36Å; S161-A165 PolarHBondContact O-N 2.69Å; I162-A165 PolarHBondContact O-N 2.98Å; A165-Y167 VanDerWaalsContact C-N 3.34Å; A165-Y167 PolarHBondContact O-N 2.87Å; A165-H168 CarbonylContact O-C 3.23Å; A165-H168 PolarHBondContact O-N 2.77Å; A165-G169 PolarHBondContact O-N 3.31Å; A165-V170 HydrophobicContact CB-CB 4.1Å; A165-V170 HydrophobicContact CB-CG1 4.26Å; A165-V170 WeakPolarHBondContact O-CB 3.34Å; A165-V170 PolarHBondContact O-N 3.21Å; A165-V170 VanDerWaalsContact O-N 3.09Å; A165-V172 HydrophobicContact CB-CG2 3.78Å
166H94.8Very high96.5Very high62 Ų6220.8 Ų20.829%0.28711%0.106SC..Hα-helixtrans-59.8-43.6175.6-178.389000112I162 H168 G169 L198I162-H166 VanDerWaalsContact O-CB 3.31Å; I162-H166 WeakPolarHBondContact O-CB 3.37Å; I162-H166 PolarHBondContact O-N 2.88Å; H166-H168 PolarHBondContact O-N 2.7Å; H166-H168 VanDerWaalsContact O-N 3.16Å; H166-G169 PolarHBondContact O-N 3.27Å; H166-L198 HydrophobicContact CB-CD2 4.03Å; H166-L198 WeakPolarHBondContact CD2-CD2 3.2Å; H166-L198 VanDerWaalsContact CG-CD2 3.47Å
167Y93.7Very high96.5Very high122 Ų12221.7 Ų21.748%0.47811%0.109SC..Hα-helixtrans-56.4-31.1175.5177.2-95.7000112.8Q163 L164 A165 G169 K314 T319Q163-Y167 WeakPolarHBondContact O-CB 3.44Å; Q163-Y167 PolarHBondContact O-N 3.35Å; L164-Y167 WeakPolarHBondContact O-CB 3.33Å; L164-Y167 PolarHBondContact O-N 3.14Å; A165-Y167 VanDerWaalsContact C-N 3.34Å; A165-Y167 PolarHBondContact O-N 2.87Å; Y167-G169 VanDerWaalsContact C-N 3.35Å; Y167-K314 VanDerWaalsContact CE1-NZ 3.32Å; Y167-T319 HydrophobicContact CD2-CG2 3.27Å; Y167-T319 HydrophobicContact CE2-CG2 3.81Å; Y167-T319 HydrophobicContact CG-CG2 3.68Å
168H94.9Very high96.4Very high66 Ų6623 Ų2331%0.30612%0.119SC..THydrogen-bonded Turntrans-9110176.3-76.5-71.9000114.3H137 M142 S144 L164 A165 H166H137-H168 AromaticContact CE1-CD2 3.72Å; H137-H168 AromaticContact CE1-NE2 3.53Å; H137-H168 AromaticContact NE2-CD2 3.51Å; H137-H168 AromaticContact NE2-CE1 3.6Å; H137-H168 AromaticContact NE2-NE2 3.06Å; H137-H168 PolarHBondContact NE2-NE2 2.8Å; M142-H168 HydrophobicContact CE-CB 3.51Å; S144-H168 WeakPolarHBondContact CA-O 3.39Å; S144-H168 WeakPolarHBondContact CB-O 3.29Å; L164-H168 PolarHBondContact O-CD2 2.85Å; L164-H168 VanDerWaalsContact O-CD2 3.23Å; L164-H168 PolarHBondContact O-N 2.88Å; A165-H168 CarbonylContact O-C 3.23Å; A165-H168 PolarHBondContact O-N 2.77Å; H166-H168 PolarHBondContact O-N 2.7Å; H166-H168 VanDerWaalsContact O-N 3.16Å
169G94.6Very high96.3Very high41 Ų4125.2 Ų25.242%0.42314%0.135SC..THydrogen-bonded Turntrans7334.4175.800000113.8S144 G145 A165 H166 Y167S144-G169 PolarHBondContact OG-O 2.79Å; G145-G169 PolarHBondContact N-O 2.92Å; A165-G169 PolarHBondContact O-N 3.31Å; H166-G169 PolarHBondContact O-N 3.27Å; Y167-G169 VanDerWaalsContact C-N 3.35Å
170V97.2Very high96.2Very high6 Ų632.4 Ų32.44%0.03617%0.168CC..  trans-97.1139174.3175.40000110.1M142 A143 H146 L148 A165M142-V170 HydrophobicContact CG-CG2 3.43Å; M142-V170 VanDerWaalsContact CG-CG2 3.43Å; M142-V170 HydrophobicContact SD-CB 4.21Å; M142-V170 HydrophobicContact SD-CG1 4.49Å; M142-V170 HydrophobicContact SD-CG2 3.51Å; M142-V170 VanDerWaalsContact SD-CG2 3.51Å; A143-V170 WeakPolarHBondContact O-CG2 3.31Å; H146-V170 HydrophobicContact CB-CG1 4.31Å; H146-V170 HydrophobicContact CB-CG2 4.38Å; H146-V170 WeakPolarHBondContact O-CA 3.47Å; H146-V170 WeakPolarHBondContact O-CG1 3.36Å; L148-V170 HydrophobicContact CB-CG1 3.61Å; A165-V170 HydrophobicContact CB-CB 4.1Å; A165-V170 HydrophobicContact CB-CG1 4.26Å; A165-V170 WeakPolarHBondContact O-CB 3.34Å; A165-V170 PolarHBondContact O-N 3.21Å; A165-V170 VanDerWaalsContact O-N 3.09Å
171K97.3Very high96.1Very high78 Ų7833 Ų3334%0.33917%0.172SC..EExtended strand (participates in β ladder)trans-77.1120.3173.2-176.4-177.5-180-176.80108.8H146 T147 L148 A200 E219H146-K171 PolarHBondContact O-N 3.33Å; T147-K171 CarbonylContact C-O 3.58Å; T147-K171 WeakPolarHBondContact CA-O 3.49Å; T147-K171 HydrophobicContact CG2-CB 4.44Å; T147-K171 HydrophobicContact CG2-CD 4.44Å; T147-K171 HydrophobicContact CG2-CG 4.5Å; L148-K171 PolarHBondContact N-O 2.95Å; K171-A200 HydrophobicContact CD-CB 4.47Å; K171-A200 HydrophobicContact CG-CB 3.87Å; K171-E219 WeakPolarHBondContact CE-OE1 3.47Å; K171-E219 PolarHBondContact NZ-O 3.37Å; K171-E219 IonicContact NZ-OE1 2.74Å; K171-E219 PolarHBondContact NZ-OE1 3.08Å
172V98.2Very high96Very high2 Ų235.2 Ų35.21%0.01218%0.182CC..EExtended strand (participates in β ladder)trans-108.4127.6-174.3-170.70000111.8L148 V150 I162 A165 A200L148-V172 HydrophobicContact CD2-CG1 4.39Å; L148-V172 HydrophobicContact CD2-CG2 4.41Å; L148-V172 CarbonylContact O-C 3.59Å; L148-V172 WeakPolarHBondContact O-CA 3.38Å; V150-V172 HydrophobicContact CG2-CG1 4.12Å; I162-V172 HydrophobicContact CB-CG1 4.32Å; I162-V172 HydrophobicContact CG1-CG1 3.83Å; I162-V172 HydrophobicContact CG2-CG1 4.2Å; A165-V172 HydrophobicContact CB-CG2 3.78Å; V172-A200 WeakPolarHBondContact O-CB 3.38Å; V172-A200 PolarHBondContact O-N 3.09Å
173L98.4Very high95.9Very high0 Ų040.9 Ų40.90%021%0.206CC..EExtended strand (participates in β ladder)trans-106.2144.7164.3-65.173.8000107.6T147 L148 L149 V150 R201 C216 E219T147-L173 HydrophobicContact CG2-CD1 3.3Å; L148-L173 PolarHBondContact O-N 2.92Å; L149-L173 WeakPolarHBondContact CA-O 3.32Å; L149-L173 HydrophobicContact CD1-CB 3.89Å; V150-L173 PolarHBondContact N-O 2.98Å; L173-R201 WeakPolarHBondContact CA-O 3.34Å; L173-R201 HydrophobicContact CD2-CB 4.43Å; L173-R201 HydrophobicContact CG-CB 4.11Å; L173-C216 HydrophobicContact CD2-CB 4.26Å; L173-E219 HydrophobicContact CD1-CG 4.41Å; L173-E219 HydrophobicContact CD2-CB 3.93Å; L173-E219 HydrophobicContact CD2-CG 3.85Å; L173-E219 HydrophobicContact CG-CG 4.14Å
174A98.2Very high95.8Very high0 Ų042.8 Ų42.80%022%0.215CC..EExtended strand (participates in β ladder)trans-138.9137.3-179.700000112V150 I162 L185 V199 R201 V202 I203V150-A174 CarbonylContact O-C 3.44Å; V150-A174 VanDerWaalsContact O-CA 3.28Å; V150-A174 WeakPolarHBondContact O-CA 3.27Å; I162-A174 HydrophobicContact CD1-CB 3.98Å; A174-L185 HydrophobicContact CB-CD1 4.12Å; A174-V199 HydrophobicContact CB-CG1 3.85Å; A174-V199 HydrophobicContact CB-CG2 4.39Å; A174-R201 PolarHBondContact N-O 3.33Å; A174-V202 CarbonylContact O-C 3.52Å; A174-V202 WeakPolarHBondContact O-CA 3.31Å; A174-I203 PolarHBondContact O-N 2.92Å
175S97.4Very high95.8Very high5 Ų542.8 Ų42.84%0.03522%0.215CC..EExtended strand (participates in β ladder)trans-86.5146.6169.578.50000111.5V150 L151 D152 G153 I203V150-S175 PolarHBondContact O-N 3.09Å; L151-S175 WeakPolarHBondContact CA-OG 3.37Å; D152-S175 PolarHBondContact N-OG 3.43Å; G153-S175 PolarHBondContact N-O 2.92Å; S175-I203 CarbonylContact C-O 3.55Å; S175-I203 VanDerWaalsContact CA-O 3.27Å; S175-I203 WeakPolarHBondContact CA-O 3.36Å
176A96.3Very high95.7Very high0 Ų046.8 Ų46.80%023%0.233CC..EExtended strand (participates in β ladder)trans-121.1134.7177.900000110D181 Q182 L185 V202 I203 V205A176-D181 HydrophobicContact CB-CB 3.98Å; A176-Q182 HydrophobicContact CB-CB 3.83Å; A176-L185 HydrophobicContact CB-CD1 4.05Å; A176-V202 HydrophobicContact CB-CG1 4Å; A176-I203 PolarHBondContact N-O 3.29Å; A176-V205 WeakPolarHBondContact O-CG2 3.47Å; A176-V205 PolarHBondContact O-N 2.88Å; A176-V205 VanDerWaalsContact O-N 3.15Å
177L93.3Very high95.6Very high45 Ų4550.7 Ų50.724%0.23625%0.252CS..SBendtrans-91.3-4.3-177.3-58.8-175.2000113.5D152 V205 W206 L245D152-L177 HydrophobicContact CB-CD1 4.05Å; D152-L177 HydrophobicContact CB-CG 4.32Å; D152-L177 VanDerWaalsContact CG-CD1 3.44Å; D152-L177 WeakPolarHBondContact OD1-CD1 3.43Å; L177-V205 HydrophobicContact CD2-CG2 3.72Å; L177-W206 VanDerWaalsContact O-CB 3.32Å; L177-W206 WeakPolarHBondContact O-CB 3.5Å; L177-L245 HydrophobicContact CB-CD1 4.19Å; L177-L245 HydrophobicContact CD2-CB 3.98Å; L177-L245 HydrophobicContact CD2-CD1 4.27Å; L177-L245 WeakPolarHBondContact O-CD1 3.22Å
178S94.1Very high95.5Very high37 Ų3745.9 Ų45.926%0.25923%0.234SC..SBendtrans-154.5166177.568.10000111.6E180 D181 Q182 W206S178-E180 PolarHBondContact O-N 3.47Å; S178-D181 PolarHBondContact N-OD2 3.49Å; S178-D181 PolarHBondContact O-N 3.15Å; S178-D181 WeakPolarHBondContact OG-CB 3.21Å; S178-D181 PolarHBondContact OG-N 3.4Å; S178-D181 VanDerWaalsContact OG-N 3.09Å; S178-D181 PolarHBondContact OG-OD2 2.98Å; S178-Q182 WeakPolarHBondContact O-CB 3.47Å; S178-Q182 PolarHBondContact O-N 3.05Å; S178-W206 VanDerWaalsContact C-NE1 3.26Å; S178-W206 VanDerWaalsContact CA-CD1 3.45Å; S178-W206 PolarHBondContact O-NE1 2.84Å
179S95.1Very high95.2Very high47 Ų4747.8 Ų47.833%0.32924%0.239SC..Hα-helixtrans-63.5-31.5173.8-176.20000112.4K183S179-K183 WeakPolarHBondContact O-CG 3.2Å; S179-K183 PolarHBondContact O-N 2.81Å; S179-K183 VanDerWaalsContact O-N 3.09Å
180E94.4Very high94.6Very high153 Ų15347.4 Ų47.472%0.71523%0.229SC*.Hα-helixtrans-68.6-47.4176-175.3175.7-178.700111.1S178 Q182 K183 F184S178-E180 PolarHBondContact O-N 3.47Å; E180-Q182 VanDerWaalsContact C-N 3.26Å; E180-Q182 PolarHBondContact O-N 3.4Å; E180-K183 PolarHBondContact O-N 2.97Å; E180-F184 WeakPolarHBondContact O-CB 3.46Å; E180-F184 PolarHBondContact O-N 3.2Å
181D95.1Very high93.4Very high16 Ų1649 Ų499%0.08624%0.24CC..Hα-helixtrans-58.1-41.6175-67.3-35.1000111.3A154 A176 S178 F184 L185 R346A154-D181 HydrophobicContact CB-CB 3.59Å; A154-D181 WeakPolarHBondContact CB-OD1 3.44Å; A176-D181 HydrophobicContact CB-CB 3.98Å; S178-D181 PolarHBondContact N-OD2 3.49Å; S178-D181 PolarHBondContact O-N 3.15Å; S178-D181 WeakPolarHBondContact OG-CB 3.21Å; S178-D181 PolarHBondContact OG-N 3.4Å; S178-D181 VanDerWaalsContact OG-N 3.09Å; S178-D181 PolarHBondContact OG-OD2 2.98Å; D181-F184 PolarHBondContact O-N 2.74Å; D181-L185 WeakPolarHBondContact O-CB 3.34Å; D181-L185 VanDerWaalsContact O-CG 3.31Å; D181-L185 WeakPolarHBondContact O-CG 3.37Å; D181-L185 PolarHBondContact O-N 3.41Å; D181-R346 IonicContact OD1-CZ 3.86Å; D181-R346 IonicContact OD1-NE 2.92Å; D181-R346 IonicContact OD1-NH2 3.88Å; D181-R346 PolarHBondContact OD1-NH2 2.93Å; D181-R346 IonicContact OD2-CZ 3.06Å; D181-R346 IonicContact OD2-NE 3.91Å; D181-R346 IonicContact OD2-NH2 2.62Å; D181-R346 PolarHBondContact OD2-NH2 3.42Å
182Q96Very high91.8Very high46 Ų4650.7 Ų50.722%0.21526%0.257CS..Hα-helixtrans-61.6-51178.5175.3172.8-7.600111.3A176 S178 E180 F184 L185 E186 V202A176-Q182 HydrophobicContact CB-CB 3.83Å; S178-Q182 WeakPolarHBondContact O-CB 3.47Å; S178-Q182 PolarHBondContact O-N 3.05Å; E180-Q182 VanDerWaalsContact C-N 3.26Å; E180-Q182 PolarHBondContact O-N 3.4Å; Q182-F184 VanDerWaalsContact C-N 3.27Å; Q182-F184 PolarHBondContact O-N 2.94Å; Q182-L185 PolarHBondContact O-N 3.17Å; Q182-E186 HydrophobicContact CG-CG 4.44Å; Q182-E186 VanDerWaalsContact CG-OE1 3.28Å; Q182-E186 WeakPolarHBondContact CG-OE1 3.32Å; Q182-E186 PolarHBondContact NE2-OE1 3.1Å; Q182-E186 WeakPolarHBondContact O-CB 3.39Å; Q182-E186 VanDerWaalsContact O-CG 3.31Å; Q182-E186 WeakPolarHBondContact O-CG 3.23Å; Q182-E186 PolarHBondContact O-N 3.34Å; Q182-V202 HydrophobicContact CB-CG1 4.21Å; Q182-V202 HydrophobicContact CG-CG1 3.81Å
183K95.4Very high90.1Very high118 Ų11854.4 Ų54.451%0.51330%0.296SS..Hα-helixtrans-59.6-39.9177.6-72.9172.7-175.1175.20111.7S179 E180 Q187S179-K183 WeakPolarHBondContact O-CG 3.2Å; S179-K183 PolarHBondContact O-N 2.81Å; S179-K183 VanDerWaalsContact O-N 3.09Å; E180-K183 PolarHBondContact O-N 2.97Å; K183-Q187 WeakPolarHBondContact O-CB 3.27Å; K183-Q187 WeakPolarHBondContact O-CG 3.43Å; K183-Q187 PolarHBondContact O-N 2.78Å; K183-Q187 VanDerWaalsContact O-N 3.12Å
184F94.8Very high88.1Confident54 Ų5458.2 Ų58.224%0.23732%0.318CS..Hα-helixtrans-62.3-49177166.7-106.5000111.7A154 V159 E180 D181 Q182 E186 Q187 L188 Q323A154-F184 HydrophobicContact CB-CD1 4Å; A154-F184 HydrophobicContact CB-CE1 4.39Å; V159-F184 HydrophobicContact CG2-CE1 3.58Å; V159-F184 HydrophobicContact CG2-CZ 3.98Å; E180-F184 WeakPolarHBondContact O-CB 3.46Å; E180-F184 PolarHBondContact O-N 3.2Å; D181-F184 PolarHBondContact O-N 2.74Å; Q182-F184 VanDerWaalsContact C-N 3.27Å; Q182-F184 PolarHBondContact O-N 2.94Å; F184-E186 PolarHBondContact O-N 3.08Å; F184-Q187 CarbonylContact O-C 3.48Å; F184-Q187 PolarHBondContact O-N 3.27Å; F184-Q187 VanDerWaalsContact O-N 3.1Å; F184-L188 HydrophobicContact CE2-CD1 4.33Å; F184-L188 HydrophobicContact CZ-CD1 4.02Å; F184-L188 PolarHBondContact O-N 3.12Å; F184-Q323 VanDerWaalsContact CE1-OE1 3.31Å; F184-Q323 VanDerWaalsContact CZ-CD 3.45Å; F184-Q323 HydrophobicContact CZ-CG 4.27Å; F184-Q323 VanDerWaalsContact CZ-OE1 3.3Å
185L95.7Very high86.3Confident0 Ų069.5 Ų69.50%036%0.361CS..Hα-helixtrans-63.4-40178.4-71171.5000112.3A154 I162 A174 A176 D181 Q182 Q187 L188 V199 V202A154-L185 HydrophobicContact CB-CD1 4.27Å; A154-L185 HydrophobicContact CB-CD2 4.48Å; A154-L185 HydrophobicContact CB-CG 4.21Å; I162-L185 HydrophobicContact CD1-CD2 3.7Å; A174-L185 HydrophobicContact CB-CD1 4.12Å; A176-L185 HydrophobicContact CB-CD1 4.05Å; D181-L185 WeakPolarHBondContact O-CB 3.34Å; D181-L185 VanDerWaalsContact O-CG 3.31Å; D181-L185 WeakPolarHBondContact O-CG 3.37Å; D181-L185 PolarHBondContact O-N 3.41Å; Q182-L185 PolarHBondContact O-N 3.17Å; L185-Q187 PolarHBondContact O-N 3.35Å; L185-L188 WeakPolarHBondContact O-CB 3.38Å; L185-L188 PolarHBondContact O-N 2.94Å; L185-L188 VanDerWaalsContact O-N 3.16Å; L185-V199 HydrophobicContact CD2-CG2 4.5Å; L185-V202 HydrophobicContact CB-CG1 3.97Å; L185-V202 HydrophobicContact CB-CG2 3.7Å; L185-V202 HydrophobicContact CD1-CG1 3.98Å
186E94.5Very high85.1Confident85 Ų8576 Ų7640%0.39739%0.391SS..Hα-helixtrans-63.9-24.1175-73.5171.1-176.900112.9Q182 F184 R189 V202Q182-E186 HydrophobicContact CG-CG 4.44Å; Q182-E186 VanDerWaalsContact CG-OE1 3.28Å; Q182-E186 WeakPolarHBondContact CG-OE1 3.32Å; Q182-E186 PolarHBondContact NE2-OE1 3.1Å; Q182-E186 WeakPolarHBondContact O-CB 3.39Å; Q182-E186 VanDerWaalsContact O-CG 3.31Å; Q182-E186 WeakPolarHBondContact O-CG 3.23Å; Q182-E186 PolarHBondContact O-N 3.34Å; F184-E186 PolarHBondContact O-N 3.08Å; E186-R189 VanDerWaalsContact O-CZ 3.23Å; E186-R189 PolarHBondContact O-NH1 2.83Å; E186-R189 PolarHBondContact O-NH2 2.75Å; E186-V202 HydrophobicContact CG-CB 4.16Å; E186-V202 HydrophobicContact CG-CG2 3.86Å
187Q92.8Very high84.6Confident143 Ų14377.9 Ų77.967%0.66840%0.404SS*.Hα-helixtrans-96.5-5.1177.4-69.6173.615.500113.4K183 F184 L185 R189K183-Q187 WeakPolarHBondContact O-CB 3.27Å; K183-Q187 WeakPolarHBondContact O-CG 3.43Å; K183-Q187 PolarHBondContact O-N 2.78Å; K183-Q187 VanDerWaalsContact O-N 3.12Å; F184-Q187 CarbonylContact O-C 3.48Å; F184-Q187 PolarHBondContact O-N 3.27Å; F184-Q187 VanDerWaalsContact O-N 3.1Å; L185-Q187 PolarHBondContact O-N 3.35Å; Q187-R189 VanDerWaalsContact C-NH1 3.34Å; Q187-R189 WeakPolarHBondContact O-CG 3.17Å; Q187-R189 PolarHBondContact O-N 3.43Å
188L91.9Very high84.5Confident22 Ų2276.1 Ų76.112%0.11540%0.395CS..  trans-69.9120.3-179.1-165.169.7000110I162 F184 L185 L198I162-L188 HydrophobicContact CG2-CD2 4.07Å; F184-L188 HydrophobicContact CE2-CD1 4.33Å; F184-L188 HydrophobicContact CZ-CD1 4.02Å; F184-L188 PolarHBondContact O-N 3.12Å; L185-L188 WeakPolarHBondContact O-CB 3.38Å; L185-L188 PolarHBondContact O-N 2.94Å; L185-L188 VanDerWaalsContact O-N 3.16Å; L188-L198 HydrophobicContact CD2-CB 4.44Å; L188-L198 HydrophobicContact CD2-CD1 3.91Å; L188-L198 HydrophobicContact CG-CD1 3.79Å; L188-L198 HydrophobicContact CG-CG 4.43Å; L188-L198 PolarHBondContact O-N 2.9Å; L188-L198 VanDerWaalsContact O-N 3.15Å
189R89.7Confident84.5Confident106 Ų10674.6 Ų74.640%0.438%0.384SS..  trans-127.8150.2-174.8-65.6-63.9174.9-80.6-4.5111.1E186 Q187 R195 E196 S197E186-R189 VanDerWaalsContact O-CZ 3.23Å; E186-R189 PolarHBondContact O-NH1 2.83Å; E186-R189 PolarHBondContact O-NH2 2.75Å; Q187-R189 VanDerWaalsContact C-NH1 3.34Å; Q187-R189 WeakPolarHBondContact O-CG 3.17Å; Q187-R189 PolarHBondContact O-N 3.43Å; R189-R195 WeakPolarHBondContact CD-O 3.47Å; R189-R195 PolarHBondContact NE-O 2.82Å; R189-E196 WeakPolarHBondContact CD-O 3.42Å; R189-S197 PolarHBondContact NH1-OG 2.87Å
190P82.1Confident84.4Confident33 Ų3374.9 Ų74.921%0.21439%0.389CS..  trans-63.6152.2170.826.3-29.4000110V192 V194 E196 L198P190-V192 VanDerWaalsContact C-N 3.34Å; P190-V194 WeakPolarHBondContact CG-O 3.17Å; P190-E196 WeakPolarHBondContact CD-O 3.22Å; P190-L198 HydrophobicContact CB-CD2 3.78Å; P190-L198 HydrophobicContact CG-CD2 4Å
191S71.3Confident84.5Confident40 Ų4071.6 Ų71.628%0.2837%0.37SS..SBendtrans-72-26.2179.445.10000114.1G318S191-G318 WeakPolarHBondContact CB-O 3.27Å; S191-G318 VanDerWaalsContact OG-C 3.29Å; S191-G318 PolarHBondContact OG-O 3.14Å
192V63.9Low84.6Confident113 Ų11371.7 Ų71.769%0.68537%0.371SS*.SBendtrans-138.6139.6-174.7-173.80000109.7P190 V194P190-V192 VanDerWaalsContact C-N 3.34Å; V192-V194 PolarHBondContact O-N 2.84Å
193G62.5Low84.7Confident80 Ų8069.5 Ų69.583%0.82536%0.361SS*.SBendtrans99.1-79.5166.600000115.5
194V55.2Low84.7Confident79 Ų7964 Ų6448%0.47934%0.338SS..  trans-108.5140.1-160-161.20000112P190 V192 E196P190-V194 WeakPolarHBondContact CG-O 3.17Å; V192-V194 PolarHBondContact O-N 2.84Å; V194-E196 HydrophobicContact CG1-CB 3.71Å; V194-E196 HydrophobicContact CG1-CG 3.68Å; V194-E196 PolarHBondContact O-N 2.83Å
195R62Low84.6Confident238 Ų23862.5 Ų62.590%0.89833%0.333SS*.  trans-76.5-2.4173-72.3-174.8177.3-177.2-0.5113.7R189R189-R195 WeakPolarHBondContact CD-O 3.47Å; R189-R195 PolarHBondContact NE-O 2.82Å
196E72.1Confident84.4Confident142 Ų14266.1 Ų66.166%0.66435%0.347SS*.SBendtrans-73.6148.5-177.1-72.2176.7-178.300111.1R189 P190 V194R189-E196 WeakPolarHBondContact CD-O 3.42Å; P190-E196 WeakPolarHBondContact CD-O 3.22Å; V194-E196 HydrophobicContact CG1-CB 3.71Å; V194-E196 HydrophobicContact CG1-CG 3.68Å; V194-E196 PolarHBondContact O-N 2.83Å
197S85.9Confident84.2Confident39 Ų3964.6 Ų64.627%0.27334%0.341SS..  trans-63.8142175.9-177.50000110.4R189 V199R189-S197 PolarHBondContact NH1-OG 2.87Å; S197-V199 VanDerWaalsContact CB-O 3.3Å; S197-V199 WeakPolarHBondContact CB-O 3.24Å; S197-V199 PolarHBondContact O-N 2.82Å; S197-V199 PolarHBondContact OG-N 2.67Å; S197-V199 PolarHBondContact OG-O 2.8Å
198L90.3Very high83.8Confident7 Ų763.2 Ų63.24%0.03734%0.343CS..SBendtrans-66.1-26.9170.4-66-172.6000112I162 Q163 H166 L188 P190I162-L198 HydrophobicContact CG2-CB 3.89Å; Q163-L198 HydrophobicContact CB-CD1 4.5Å; Q163-L198 HydrophobicContact CG-CD1 3.55Å; H166-L198 HydrophobicContact CB-CD2 4.03Å; H166-L198 WeakPolarHBondContact CD2-CD2 3.2Å; H166-L198 VanDerWaalsContact CG-CD2 3.47Å; L188-L198 HydrophobicContact CD2-CB 4.44Å; L188-L198 HydrophobicContact CD2-CD1 3.91Å; L188-L198 HydrophobicContact CG-CD1 3.79Å; L188-L198 HydrophobicContact CG-CG 4.43Å; L188-L198 PolarHBondContact O-N 2.9Å; L188-L198 VanDerWaalsContact O-N 3.15Å; P190-L198 HydrophobicContact CB-CD2 3.78Å; P190-L198 HydrophobicContact CG-CD2 4Å
199V93.7Very high83.7Confident5 Ų570.9 Ų70.93%0.0338%0.375CS..  trans-106.8122.4-179-171.90000108.7I162 A174 L185 S197 R201 V202I162-V199 HydrophobicContact CD1-CG2 4.1Å; I162-V199 HydrophobicContact CG2-CG2 3.73Å; A174-V199 HydrophobicContact CB-CG1 3.85Å; A174-V199 HydrophobicContact CB-CG2 4.39Å; L185-V199 HydrophobicContact CD2-CG2 4.5Å; S197-V199 VanDerWaalsContact CB-O 3.3Å; S197-V199 WeakPolarHBondContact CB-O 3.24Å; S197-V199 PolarHBondContact O-N 2.82Å; S197-V199 PolarHBondContact OG-N 2.67Å; S197-V199 PolarHBondContact OG-O 2.8Å; V199-R201 WeakPolarHBondContact CG1-O 3.36Å; V199-V202 HydrophobicContact CB-CG2 4.12Å; V199-V202 HydrophobicContact CG1-CG2 3.76Å
200A93.8Very high83.8Confident54 Ų5468.2 Ų68.245%0.44637%0.371SS..SBendtrans-69.8-40.9177.100000111.5K171 V172K171-A200 HydrophobicContact CD-CB 4.47Å; K171-A200 HydrophobicContact CG-CB 3.87Å; V172-A200 WeakPolarHBondContact O-CB 3.38Å; V172-A200 PolarHBondContact O-N 3.09Å
201R96.2Very high84.3Confident84 Ų8470.3 Ų70.332%0.31738%0.38SS..EExtended strand (participates in β ladder)trans-141.6125.9177.2-176.666.6174.2-128.8-9.9111.3L173 A174 V199 I203 E218 E219L173-R201 WeakPolarHBondContact CA-O 3.34Å; L173-R201 HydrophobicContact CD2-CB 4.43Å; L173-R201 HydrophobicContact CG-CB 4.11Å; A174-R201 PolarHBondContact N-O 3.33Å; V199-R201 WeakPolarHBondContact CG1-O 3.36Å; R201-I203 HydrophobicContact CG-CG1 3.96Å; R201-E218 IonicContact NH2-OE2 3.35Å; R201-E218 PolarHBondContact NH2-OE2 3.32Å; R201-E219 HydrophobicContact CB-CG 3.88Å; R201-E219 HydrophobicContact CG-CG 4.44Å
202V97.4Very high85.4Confident17 Ų1769 Ų6910%0.10337%0.37CS..EExtended strand (participates in β ladder)trans-99.6130170.8-174.30000108.7A174 A176 Q182 L185 E186 V199A174-V202 CarbonylContact O-C 3.52Å; A174-V202 WeakPolarHBondContact O-CA 3.31Å; A176-V202 HydrophobicContact CB-CG1 4Å; Q182-V202 HydrophobicContact CB-CG1 4.21Å; Q182-V202 HydrophobicContact CG-CG1 3.81Å; L185-V202 HydrophobicContact CB-CG1 3.97Å; L185-V202 HydrophobicContact CB-CG2 3.7Å; L185-V202 HydrophobicContact CD1-CG1 3.98Å; E186-V202 HydrophobicContact CG-CB 4.16Å; E186-V202 HydrophobicContact CG-CG2 3.86Å; V199-V202 HydrophobicContact CB-CG2 4.12Å; V199-V202 HydrophobicContact CG1-CG2 3.76Å
203I96.8Very high87Confident1 Ų164.4 Ų64.41%0.00534%0.342CS..EExtended strand (participates in β ladder)trans-117.4104.5-174.4-54172.1000108.9A174 S175 A176 R201 V205 V210 L212 C216A174-I203 PolarHBondContact O-N 2.92Å; S175-I203 CarbonylContact C-O 3.55Å; S175-I203 VanDerWaalsContact CA-O 3.27Å; S175-I203 WeakPolarHBondContact CA-O 3.36Å; A176-I203 PolarHBondContact N-O 3.29Å; R201-I203 HydrophobicContact CG-CG1 3.96Å; I203-V205 HydrophobicContact CG2-CG1 4.27Å; I203-V205 PolarHBondContact O-N 3.17Å; I203-V210 HydrophobicContact CG2-CG1 3.72Å; I203-L212 HydrophobicContact CB-CD1 4.27Å; I203-L212 HydrophobicContact CD1-CD1 3.93Å; I203-L212 HydrophobicContact CG2-CD1 3.9Å; I203-C216 WeakPolarHBondContact CD1-SG 3.34Å
204G95.9Very high88.6Confident2 Ų265.8 Ų65.82%0.02133%0.33CS..EExtended strand (participates in β ladder)trans-77.783.618000000112.6W206 D207G204-W206 PolarHBondContact O-N 3.2Å; G204-D207 PolarHBondContact O-N 2.81Å
205V93.4Very high90.5Very high22 Ų2262.6 Ų62.613%0.13331%0.311CS..THydrogen-bonded Turntrans-66.6-8.1179.9-62.80000113.6A176 L177 I203 D207 L212 L245A176-V205 WeakPolarHBondContact O-CG2 3.47Å; A176-V205 PolarHBondContact O-N 2.88Å; A176-V205 VanDerWaalsContact O-N 3.15Å; L177-V205 HydrophobicContact CD2-CG2 3.72Å; I203-V205 HydrophobicContact CG2-CG1 4.27Å; I203-V205 PolarHBondContact O-N 3.17Å; V205-D207 VanDerWaalsContact C-N 3.32Å; V205-L212 HydrophobicContact CG1-CB 4.15Å; V205-L212 HydrophobicContact CG1-CD1 4.03Å; V205-L245 HydrophobicContact CG2-CB 4.45Å
206W91.1Very high92.2Very high77 Ų7751.2 Ų51.229%0.29227%0.268SS..THydrogen-bonded Turntrans-75.6-16.8171.566.8-90.5000113.6L177 S178 G204 R243 L245L177-W206 VanDerWaalsContact O-CB 3.32Å; L177-W206 WeakPolarHBondContact O-CB 3.5Å; S178-W206 VanDerWaalsContact C-NE1 3.26Å; S178-W206 VanDerWaalsContact CA-CD1 3.45Å; S178-W206 PolarHBondContact O-NE1 2.84Å; G204-W206 PolarHBondContact O-N 3.2Å; W206-R243 VanDerWaalsContact C-NH2 3.29Å; W206-R243 PolarHBondContact O-NH1 2.82Å; W206-R243 PolarHBondContact O-NH2 3.08Å; W206-L245 HydrophobicContact CB-CD1 4.43Å
207D90.9Very high93.4Very high53 Ų5346.7 Ų46.728%0.28325%0.249SC..SBendtrans-91.8123.6173.2-172.4-10.2000109.4G204 V205 K209 V210G204-D207 PolarHBondContact O-N 2.81Å; V205-D207 VanDerWaalsContact C-N 3.32Å; D207-K209 PolarHBondContact O-N 3.03Å; D207-K209 VanDerWaalsContact O-N 3.13Å; D207-K209 WeakPolarHBondContact OD1-CB 3.48Å; D207-K209 PolarHBondContact OD1-N 3.44Å; D207-V210 HydrophobicContact CB-CB 4.41Å; D207-V210 HydrophobicContact CB-CG2 3.98Å; D207-V210 PolarHBondContact O-N 3.14Å; D207-V210 VanDerWaalsContact O-N 3.13Å
208T84.9Confident93.9Very high114 Ų11451.2 Ų51.270%0.69927%0.265SS*.THydrogen-bonded Turntrans-65.9-14-179.854.40000113.3
209K89.9Confident94.2Very high183 Ų18353.6 Ų53.680%0.79628%0.276SS*.THydrogen-bonded Turntrans-85.1-13.6177.8-61.8176.8-177.8175.60113.1D207D207-K209 PolarHBondContact O-N 3.03Å; D207-K209 VanDerWaalsContact O-N 3.13Å; D207-K209 WeakPolarHBondContact OD1-CB 3.48Å; D207-K209 PolarHBondContact OD1-N 3.44Å
210V90.4Very high94.3Very high50 Ų5054.1 Ų54.130%0.30328%0.28SS..  trans-103.1113.4-176179.10000108.6I203 D207I203-V210 HydrophobicContact CG2-CG1 3.72Å; D207-V210 HydrophobicContact CB-CB 4.41Å; D207-V210 HydrophobicContact CB-CG2 3.98Å; D207-V210 PolarHBondContact O-N 3.14Å; D207-V210 VanDerWaalsContact O-N 3.13Å
211D93.5Very high94.4Very high76 Ų7654.9 Ų54.941%0.40629%0.293SS..  trans-89132.2171-174.9-90.3000110.5V213 D214 S215D211-V213 WeakPolarHBondContact OD1-CA 3.44Å; D211-V213 WeakPolarHBondContact OD1-CB 3.37Å; D211-V213 PolarHBondContact OD1-N 3.36Å; D211-D214 HydrophobicContact CB-CB 4.09Å; D211-D214 PolarHBondContact OD1-N 3.43Å; D211-S215 VanDerWaalsContact O-CB 3.24Å; D211-S215 WeakPolarHBondContact O-CB 3.49Å; D211-S215 PolarHBondContact O-N 3.01Å; D211-S215 VanDerWaalsContact O-N 3.15Å; D211-S215 PolarHBondContact O-OG 2.83Å
212L94.9Very high94.4Very high13 Ų1353.4 Ų53.47%0.06830%0.303CS..Hα-helixtrans-66-42.8-178.817867.8000111.2L151 I203 V205 C216 P247 L255L151-L212 HydrophobicContact CD2-CD2 4.09Å; I203-L212 HydrophobicContact CB-CD1 4.27Å; I203-L212 HydrophobicContact CD1-CD1 3.93Å; I203-L212 HydrophobicContact CG2-CD1 3.9Å; V205-L212 HydrophobicContact CG1-CB 4.15Å; V205-L212 HydrophobicContact CG1-CD1 4.03Å; L212-C216 WeakPolarHBondContact O-CB 3.3Å; L212-C216 PolarHBondContact O-N 3.31Å; L212-C216 VanDerWaalsContact O-N 3.14Å; L212-C216 PolarHBondContact O-SG 3.42Å; L212-P247 HydrophobicContact CD2-CB 3.76Å; L212-P247 HydrophobicContact CD2-CG 3.98Å; L212-L255 HydrophobicContact CD2-CD1 4.41Å; L212-L255 HydrophobicContact CG-CD1 4.26Å
213V95.9Very high94.3Very high16 Ų1659.3 Ų59.310%0.09733%0.333CS..Hα-helixtrans-68.6-52.2-174.3179.40000109.4D211 S215 C216 L217 D251 T254 L255D211-V213 WeakPolarHBondContact OD1-CA 3.44Å; D211-V213 WeakPolarHBondContact OD1-CB 3.37Å; D211-V213 PolarHBondContact OD1-N 3.36Å; V213-S215 VanDerWaalsContact C-N 3.34Å; V213-S215 PolarHBondContact O-N 3.39Å; V213-C216 PolarHBondContact O-N 3.39Å; V213-L217 HydrophobicContact CG1-CD1 3.76Å; V213-L217 HydrophobicContact CG1-CG 4.26Å; V213-L217 WeakPolarHBondContact O-CB 3.2Å; V213-L217 WeakPolarHBondContact O-CG 3.48Å; V213-L217 PolarHBondContact O-N 2.7Å; V213-D251 HydrophobicContact CG2-CB 3.67Å; V213-T254 HydrophobicContact CG1-CG2 4.03Å; V213-L255 HydrophobicContact CB-CD2 4.39Å; V213-L255 HydrophobicContact CG1-CD2 4.02Å; V213-L255 HydrophobicContact CG1-CG 4.37Å; V213-L255 HydrophobicContact CG2-CD1 4.34Å; V213-L255 HydrophobicContact CG2-CG 4.28Å
214D96.3Very high94.3Very high110 Ų11059.6 Ų59.659%0.58834%0.337SS*.Hα-helixtrans-59.5-44.6-179.9-69.6-22000111.5D211 C216 L217 E218D211-D214 HydrophobicContact CB-CB 4.09Å; D211-D214 PolarHBondContact OD1-N 3.43Å; D214-C216 VanDerWaalsContact C-N 3.34Å; D214-C216 PolarHBondContact O-N 3.15Å; D214-L217 PolarHBondContact O-N 3.28Å; D214-E218 WeakPolarHBondContact O-CB 3.37Å; D214-E218 PolarHBondContact O-N 2.78Å
215S96.5Very high94.4Very high11 Ų1159.5 Ų59.58%0.07734%0.336CS..Hα-helixtrans-62.9-39.2179.5-62.90000112.7D211 V213 E219D211-S215 VanDerWaalsContact O-CB 3.24Å; D211-S215 WeakPolarHBondContact O-CB 3.49Å; D211-S215 PolarHBondContact O-N 3.01Å; D211-S215 VanDerWaalsContact O-N 3.15Å; D211-S215 PolarHBondContact O-OG 2.83Å; V213-S215 VanDerWaalsContact C-N 3.34Å; V213-S215 PolarHBondContact O-N 3.39Å; S215-E219 PolarHBondContact O-N 2.83Å
216C96.3Very high94.6Very high0 Ų060.9 Ų60.90%034%0.343CS..Hα-helixtrans-72.1-40.7177.2-70.10000111.6L173 I203 L212 V213 D214 E219 T220 L255L173-C216 HydrophobicContact CD2-CB 4.26Å; I203-C216 WeakPolarHBondContact CD1-SG 3.34Å; L212-C216 WeakPolarHBondContact O-CB 3.3Å; L212-C216 PolarHBondContact O-N 3.31Å; L212-C216 VanDerWaalsContact O-N 3.14Å; L212-C216 PolarHBondContact O-SG 3.42Å; V213-C216 PolarHBondContact O-N 3.39Å; D214-C216 VanDerWaalsContact C-N 3.34Å; D214-C216 PolarHBondContact O-N 3.15Å; C216-E219 PolarHBondContact O-N 2.77Å; C216-T220 WeakPolarHBondContact O-CB 3.34Å; C216-T220 VanDerWaalsContact O-CG2 3.28Å; C216-T220 WeakPolarHBondContact O-CG2 3.46Å; C216-T220 PolarHBondContact O-N 3.08Å; C216-T220 PolarHBondContact O-OG1 2.85Å; C216-L255 HydrophobicContact CB-CD1 4.33Å; C216-L255 HydrophobicContact CB-CD2 3.42Å; C216-L255 VanDerWaalsContact CB-CD2 3.42Å; C216-L255 HydrophobicContact CB-CG 4.5Å
217L96.9Very high95Very high47 Ų4757.2 Ų57.225%0.24633%0.329CS..Hα-helixtrans-67-38.4178-69.1178.9000111.3V213 D214 E219 T220 G221 G222 L255V213-L217 HydrophobicContact CG1-CD1 3.76Å; V213-L217 HydrophobicContact CG1-CG 4.26Å; V213-L217 WeakPolarHBondContact O-CB 3.2Å; V213-L217 WeakPolarHBondContact O-CG 3.48Å; V213-L217 PolarHBondContact O-N 2.7Å; D214-L217 PolarHBondContact O-N 3.28Å; L217-E219 PolarHBondContact O-N 3.14Å; L217-T220 WeakPolarHBondContact CA-OG1 3.37Å; L217-T220 CarbonylContact O-C 3.6Å; L217-T220 PolarHBondContact O-N 2.88Å; L217-T220 PolarHBondContact O-OG1 3.04Å; L217-G221 CarbonylContact O-C 3.52Å; L217-G221 PolarHBondContact O-N 2.96Å; L217-G222 PolarHBondContact O-N 3.16Å; L217-L255 HydrophobicContact CD2-CD2 4.3Å; L217-L255 HydrophobicContact CG-CD2 4.16Å
218E96.8Very high95.4Very high134 Ų13454.7 Ų54.763%0.62632%0.315SS*.Hα-helixtrans-56.9-50.1172.6-174.8-175.7-160.800110.9R201 D214 T220 G221R201-E218 IonicContact NH2-OE2 3.35Å; R201-E218 PolarHBondContact NH2-OE2 3.32Å; D214-E218 WeakPolarHBondContact O-CB 3.37Å; D214-E218 PolarHBondContact O-N 2.78Å; E218-T220 VanDerWaalsContact C-N 3.26Å; E218-T220 PolarHBondContact O-N 3.49Å; E218-G221 PolarHBondContact O-N 3.04Å
219E96.3Very high96Very high56 Ų5649.3 Ų49.326%0.26228%0.282SS..Hα-helixtrans-69.6-21.6-177.6-173.159.5-136.800113.9K171 L173 R201 S215 C216 L217K171-E219 WeakPolarHBondContact CE-OE1 3.47Å; K171-E219 PolarHBondContact NZ-O 3.37Å; K171-E219 IonicContact NZ-OE1 2.74Å; K171-E219 PolarHBondContact NZ-OE1 3.08Å; L173-E219 HydrophobicContact CD1-CG 4.41Å; L173-E219 HydrophobicContact CD2-CB 3.93Å; L173-E219 HydrophobicContact CD2-CG 3.85Å; L173-E219 HydrophobicContact CG-CG 4.14Å; R201-E219 HydrophobicContact CB-CG 3.88Å; R201-E219 HydrophobicContact CG-CG 4.44Å; S215-E219 PolarHBondContact O-N 2.83Å; C216-E219 PolarHBondContact O-N 2.77Å; L217-E219 PolarHBondContact O-N 3.14Å
220T96.1Very high96.3Very high17 Ų1740.6 Ų40.610%0.10424%0.244CC..Hα-helixtrans-104.31.8-18058.30000113.2T147 C216 L217 E218 G222 L223 G224 V225T147-T220 HydrophobicContact CG2-CG2 4.12Å; C216-T220 WeakPolarHBondContact O-CB 3.34Å; C216-T220 VanDerWaalsContact O-CG2 3.28Å; C216-T220 WeakPolarHBondContact O-CG2 3.46Å; C216-T220 PolarHBondContact O-N 3.08Å; C216-T220 PolarHBondContact O-OG1 2.85Å; L217-T220 WeakPolarHBondContact CA-OG1 3.37Å; L217-T220 CarbonylContact O-C 3.6Å; L217-T220 PolarHBondContact O-N 2.88Å; L217-T220 PolarHBondContact O-OG1 3.04Å; E218-T220 VanDerWaalsContact C-N 3.26Å; E218-T220 PolarHBondContact O-N 3.49Å; T220-G222 PolarHBondContact O-N 3.31Å; T220-L223 WeakPolarHBondContact O-CB 3.47Å; T220-L223 WeakPolarHBondContact O-CG 3.23Å; T220-L223 PolarHBondContact O-N 2.74Å; T220-G224 WeakPolarHBondContact CB-O 3.47Å; T220-G224 VanDerWaalsContact CG2-O 3.31Å; T220-G224 WeakPolarHBondContact CG2-O 3.39Å; T220-G224 PolarHBondContact OG1-N 2.98Å; T220-V225 HydrophobicContact CG2-CG1 3.95Å
221G96.3Very high96.3Very high70 Ų7040.4 Ų40.472%0.72225%0.245SC*.THydrogen-bonded Turntrans63.429.7-176.200000113.5L217 E218 L223L217-G221 CarbonylContact O-C 3.52Å; L217-G221 PolarHBondContact O-N 2.96Å; E218-G221 PolarHBondContact O-N 3.04Å; G221-L223 VanDerWaalsContact C-N 3.32Å; G221-L223 PolarHBondContact O-N 2.91Å
222G95.9Very high96.1Very high52 Ų5237.2 Ų37.254%0.53623%0.23SC..THydrogen-bonded Turntrans822.7-18000000115L217 T220L217-G222 PolarHBondContact O-N 3.16Å; T220-G222 PolarHBondContact O-N 3.31Å
223L95.4Very high95.9Very high141 Ų14136.9 Ų36.974%0.73823%0.229SC*.SBendtrans-78.4-23.6-179-62.3176.6000113.2T220 G221 G257T220-L223 WeakPolarHBondContact O-CB 3.47Å; T220-L223 WeakPolarHBondContact O-CG 3.23Å; T220-L223 PolarHBondContact O-N 2.74Å; G221-L223 VanDerWaalsContact C-N 3.32Å; G221-L223 PolarHBondContact O-N 2.91Å; L223-G257 WeakPolarHBondContact O-CA 3.28Å
224G96.6Very high95.5Very high8 Ų838.9 Ų38.98%0.08223%0.234CC..  trans80.7-172.1-169.400000112.2T220 L255T220-G224 WeakPolarHBondContact CB-O 3.47Å; T220-G224 VanDerWaalsContact CG2-O 3.31Å; T220-G224 WeakPolarHBondContact CG2-O 3.39Å; T220-G224 PolarHBondContact OG1-N 2.98Å; G224-L255 CarbonylContact C-O 3.59Å; G224-L255 WeakPolarHBondContact CA-O 3.29Å
225V98.4Very high95Very high0 Ų035.2 Ų35.20%022%0.215CC..EExtended strand (participates in β ladder)trans-109.9148-177.5-59.90000111.3T147 L149 T220 V228 L255 G257T147-V225 HydrophobicContact CG2-CB 4.29Å; T147-V225 HydrophobicContact CG2-CG1 3.79Å; L149-V225 HydrophobicContact CB-CG1 4.29Å; L149-V225 HydrophobicContact CB-CG2 4.03Å; T220-V225 HydrophobicContact CG2-CG1 3.95Å; V225-V228 HydrophobicContact CG2-CG2 3.46Å; V225-V228 VanDerWaalsContact CG2-CG2 3.46Å; V225-L255 PolarHBondContact N-O 3.05Å; V225-G257 PolarHBondContact O-N 3.1Å
226D98.5Very high93.8Very high50 Ų5039.5 Ų39.527%0.26723%0.233SC..EExtended strand (participates in β ladder)trans-75.2-30.3178.4-56.3-66.6000111.7H146 T147 G260 H261H146-D226 VanDerWaalsContact CA-OD2 3.27Å; H146-D226 WeakPolarHBondContact CA-OD2 3.32Å; H146-D226 HydrophobicContact CB-CB 4Å; T147-D226 PolarHBondContact N-OD2 2.98Å; T147-D226 PolarHBondContact O-N 2.74Å; D226-G260 CarbonylContact O-C 3.54Å; D226-G260 VanDerWaalsContact O-CA 3.22Å; D226-G260 WeakPolarHBondContact O-CA 3.4Å; D226-H261 PolarHBondContact O-N 3.48Å
227I98.8Very high92.3Very high0 Ų047 Ų470%027%0.268CS..EExtended strand (participates in β ladder)trans-135.2133.9-177.1-51.6172.3000109.8A140 M142 H146 T147 L148 L149 I229 H261A140-I227 HydrophobicContact CB-CB 4.45Å; A140-I227 HydrophobicContact CB-CD1 3.93Å; A140-I227 HydrophobicContact CB-CG1 4.1Å; A140-I227 HydrophobicContact CB-CG2 3.5Å; M142-I227 HydrophobicContact CB-CD1 3.84Å; M142-I227 HydrophobicContact CG-CD1 3.95Å; H146-I227 HydrophobicContact CB-CD1 4.46Å; T147-I227 PolarHBondContact O-N 3.47Å; L148-I227 CarbonylContact C-O 3.5Å; L148-I227 WeakPolarHBondContact CA-O 3.39Å; L148-I227 HydrophobicContact CB-CB 4.47Å; L148-I227 HydrophobicContact CD1-CB 3.69Å; L148-I227 HydrophobicContact CD1-CG2 3.47Å; L148-I227 VanDerWaalsContact CD1-CG2 3.47Å; L149-I227 PolarHBondContact N-O 3.42Å; I227-I229 HydrophobicContact CG2-CG1 4.38Å; I227-H261 CarbonylContact C-O 3.55Å; I227-H261 WeakPolarHBondContact CA-O 3.21Å
228V98.6Very high90.4Very high0 Ų052.2 Ų52.20%029%0.291CS..EExtended strand (participates in β ladder)trans-118.7124.9165.3-177.70000109L149 V225 I252 L256 H261 V263L149-V228 HydrophobicContact CB-CG2 4.38Å; L149-V228 WeakPolarHBondContact O-CA 3.33Å; V225-V228 HydrophobicContact CG2-CG2 3.46Å; V225-V228 VanDerWaalsContact CG2-CG2 3.46Å; V228-I252 HydrophobicContact CB-CG2 4.13Å; V228-I252 HydrophobicContact CG1-CD1 4.27Å; V228-I252 HydrophobicContact CG1-CG2 3.82Å; V228-I252 HydrophobicContact CG2-CG2 4.23Å; V228-L256 HydrophobicContact CB-CD2 4.43Å; V228-L256 HydrophobicContact CG2-CD2 3.84Å; V228-L256 HydrophobicContact CG2-CG 4.46Å; V228-H261 PolarHBondContact N-O 3.49Å; V228-V263 PolarHBondContact O-N 3.09Å
229I98.4Very high88.3Confident1 Ų154.8 Ų54.81%0.00530%0.303CS..EExtended strand (participates in β ladder)trans-105.6111.8165.1-66.2177.7000107A135 L136 L148 L149 L151 F157 I227 V263A135-I229 HydrophobicContact CB-CD1 3.76Å; A135-I229 HydrophobicContact CB-CG1 4.27Å; L136-I229 HydrophobicContact CD2-CD1 3.45Å; L136-I229 VanDerWaalsContact CD2-CD1 3.45Å; L136-I229 HydrophobicContact CG-CD1 3.83Å; L148-I229 HydrophobicContact CD1-CD1 4.04Å; L148-I229 HydrophobicContact CD1-CG1 3.95Å; L149-I229 PolarHBondContact O-N 3.35Å; L151-I229 PolarHBondContact N-O 3.34Å; F157-I229 HydrophobicContact CE1-CG2 3.4Å; F157-I229 VanDerWaalsContact CE1-CG2 3.4Å; F157-I229 HydrophobicContact CZ-CG2 3.57Å; I227-I229 HydrophobicContact CG2-CG1 4.38Å; I229-V263 HydrophobicContact CG1-CB 4.38Å
230D95.5Very high86.3Confident0 Ų055.4 Ų55.40%031%0.312CS..  trans-84.8168.3176.37938.3000113.1L151 G232 V233 W262 V263 T264 T265L151-D230 HydrophobicContact CD1-CB 3.73Å; L151-D230 HydrophobicContact CG-CB 4.45Å; D230-G232 PolarHBondContact OD1-N 3.15Å; D230-G232 VanDerWaalsContact OD1-N 3.13Å; D230-V233 HydrophobicContact CB-CG1 4.12Å; D230-W262 PolarHBondContact OD2-NE1 3.33Å; D230-V263 PolarHBondContact N-O 3.11Å; D230-V263 VanDerWaalsContact N-O 3.08Å; D230-T264 WeakPolarHBondContact OD2-CA 3.2Å; D230-T264 WeakPolarHBondContact OD2-CB 3.44Å; D230-T264 PolarHBondContact OD2-OG1 3.48Å; D230-T265 PolarHBondContact OD1-N 3.24Å; D230-T265 PolarHBondContact OD1-OG1 3.09Å
231S90.8Very high84.2Confident47 Ų4764.6 Ų64.633%0.32935%0.354SS..SBendtrans-129.941.3168.3-177.70000109.3
232G89.2Confident82.4Confident8 Ų864.9 Ų64.98%0.08235%0.349CS..  trans105.5151.6-17200000112.9D230 T265D230-G232 PolarHBondContact OD1-N 3.15Å; D230-G232 VanDerWaalsContact OD1-N 3.13Å; G232-T265 PolarHBondContact N-OG1 3.32Å; G232-T265 VanDerWaalsContact N-OG1 3.1Å
233V90.5Very high81Confident6 Ų669.6 Ų69.64%0.03635%0.351CS..  trans-142152.3179.3-68.10000110.8D230 L235 I252 W262 E266 L269D230-V233 HydrophobicContact CB-CG1 4.12Å; V233-L235 HydrophobicContact CG2-CD2 4.36Å; V233-I252 HydrophobicContact CG1-CG1 3.88Å; V233-W262 HydrophobicContact CG1-CZ2 3.9Å; V233-W262 HydrophobicContact CG2-CH2 4.46Å; V233-W262 HydrophobicContact CG2-CZ2 4.01Å; V233-E266 HydrophobicContact CG2-CB 3.98Å; V233-E266 HydrophobicContact CG2-CG 4.18Å; V233-L269 HydrophobicContact CG2-CD1 3.9Å
234R88.6Confident80Confident59 Ų5965.2 Ų65.222%0.22333%0.331CS..BIsolated β-bridgetrans-82.8133.2171.3-71.6-174.8-76169.10.8110.9L246 P247 Y248 K249R234-L246 HydrophobicContact CG-CB 4.25Å; R234-L246 VanDerWaalsContact CZ-O 3.26Å; R234-L246 PolarHBondContact NE-O 3.37Å; R234-L246 PolarHBondContact NH2-O 2.85Å; R234-P247 PolarHBondContact N-O 3.42Å; R234-Y248 HydrophobicContact CB-CD1 3.56Å; R234-Y248 HydrophobicContact CB-CE1 3.88Å; R234-Y248 HydrophobicContact CB-CG 4.27Å; R234-Y248 PolarHBondContact NH1-OH 2.99Å; R234-K249 PolarHBondContact O-N 3.49Å
235L84Confident79.5Confident33 Ų3367.3 Ų67.317%0.17334%0.34CS..  trans-90.6-35.3-177.4-57.4-175.5000113.7V233 K249 E266 N268 L269V233-L235 HydrophobicContact CG2-CD2 4.36Å; L235-K249 WeakPolarHBondContact O-CE 3.41Å; L235-K249 PolarHBondContact O-NZ 3.3Å; L235-E266 HydrophobicContact CD2-CG 4.28Å; L235-N268 WeakPolarHBondContact CD1-O 3.21Å; L235-L269 HydrophobicContact CD2-CD1 3.5Å
236H73.1Confident79Confident100 Ų10070.2 Ų70.246%0.46336%0.356SS..SBendtrans-132.6149.4-173.6-59.987.3000110.7E238 Y248 Q270H236-E238 HydrophobicContact CB-CG 4.25Å; H236-E238 PolarHBondContact O-N 3.39Å; H236-Y248 WeakPolarHBondContact O-CE1 3.3Å; H236-Q270 PolarHBondContact CE1-OE1 3.4Å
237E63Low78.7Confident157 Ų15768.5 Ų68.573%0.73435%0.347SS*.  trans-78.244.6171.7-62.6-176.4166.300112.3Y248E237-Y248 HydrophobicContact CB-CE1 4.5Å; E237-Y248 HydrophobicContact CG-CE1 4.06Å
238E58.3Low78.3Confident157 Ų15770.8 Ų70.873%0.73436%0.356SS*.  trans-76.6139.2170.5-68.8-173.6167.900109.6H236 P240H236-E238 HydrophobicContact CB-CG 4.25Å; H236-E238 PolarHBondContact O-N 3.39Å; E238-P240 VanDerWaalsContact O-CD 3.22Å; E238-P240 WeakPolarHBondContact O-CD 3.47Å; E238-P240 VanDerWaalsContact O-N 3.09Å
239E52.7Low78.1Confident189 Ų18970.8 Ų70.888%0.88336%0.356SS*.  trans-59.3113.2175.9-74.4-169.2166.900108.7E241E239-E241 PolarHBondContact O-N 2.84Å
240P54.4Low77.8Confident68 Ų6873.9 Ų73.944%0.44237%0.371SS..  trans-76.1132.3-176.234.4-35.5000108.3E238 A242 C244E238-P240 VanDerWaalsContact O-CD 3.22Å; E238-P240 WeakPolarHBondContact O-CD 3.47Å; E238-P240 VanDerWaalsContact O-N 3.09Å; P240-A242 WeakPolarHBondContact CB-O 3.25Å; P240-A242 WeakPolarHBondContact CG-O 3.36Å; P240-A242 PolarHBondContact O-N 2.9Å; P240-C244 HydrophobicContact CB-CB 4.47Å
241E52.3Low77.8Confident211 Ų21176.1 Ų76.199%0.98638%0.382SS*.SBendtrans-59.3-17.1174.9-64.1172.9163.100112.2E239E239-E241 PolarHBondContact O-N 2.84Å
242A58.6Low78.1Confident75 Ų7573.9 Ų73.962%0.6237%0.367SS*.SBendtrans-141.6160.2176.500000112P240 C244P240-A242 WeakPolarHBondContact CB-O 3.25Å; P240-A242 WeakPolarHBondContact CG-O 3.36Å; P240-A242 PolarHBondContact O-N 2.9Å; A242-C244 PolarHBondContact O-N 3.01Å
243R65.7Low78.4Confident152 Ų15273.7 Ų73.757%0.57436%0.364SS*.  trans-64.6102.2179.4-171.6176.6-177.6-160.5-7.1111.5W206 L245W206-R243 VanDerWaalsContact C-NH2 3.29Å; W206-R243 PolarHBondContact O-NH1 2.82Å; W206-R243 PolarHBondContact O-NH2 3.08Å; R243-L245 HydrophobicContact CG-CD2 4.27Å
244C74.3Confident78.7Confident48 Ų4876.8 Ų76.832%0.32438%0.383SS..  trans-85.2124.6173.8-171.70000110.5P240 A242P240-C244 HydrophobicContact CB-CB 4.47Å; A242-C244 PolarHBondContact O-N 3.01Å
245L85.4Confident79.1Confident52 Ų5274 Ų7427%0.27237%0.372SS..  trans-910.7-179.7-59.3-179.5000113.3L177 V205 W206 R243L177-L245 HydrophobicContact CB-CD1 4.19Å; L177-L245 HydrophobicContact CD2-CB 3.98Å; L177-L245 HydrophobicContact CD2-CD1 4.27Å; L177-L245 WeakPolarHBondContact O-CD1 3.22Å; V205-L245 HydrophobicContact CG2-CB 4.45Å; W206-L245 HydrophobicContact CB-CD1 4.43Å; R243-L245 HydrophobicContact CG-CD2 4.27Å
246L88.6Confident79.7Confident61 Ų6172.4 Ų72.432%0.31936%0.364SS..SBendtrans-79.3138.3179.1-61.1176.1000110.3R234R234-L246 HydrophobicContact CG-CB 4.25Å; R234-L246 VanDerWaalsContact CZ-O 3.26Å; R234-L246 PolarHBondContact NE-O 3.37Å; R234-L246 PolarHBondContact NH2-O 2.85Å
247P91.4Very high80.9Confident14 Ų1467.9 Ų67.99%0.09135%0.345CS..PPolyproline II helixtrans-68.8159.8173.528.7-32.6000111.4L151 L212 R234 D251 I252L151-P247 HydrophobicContact CD1-CG 3.57Å; L212-P247 HydrophobicContact CD2-CB 3.76Å; L212-P247 HydrophobicContact CD2-CG 3.98Å; R234-P247 PolarHBondContact N-O 3.42Å; P247-D251 HydrophobicContact CB-CB 4.13Å; P247-I252 HydrophobicContact CB-CD1 4.1Å; P247-I252 HydrophobicContact CG-CD1 3.66Å; P247-I252 HydrophobicContact CG-CG1 4.24Å
248Y91.9Very high82.5Confident48 Ų4866.2 Ų66.219%0.18835%0.345CS..BIsolated β-bridgetrans-73.7152.3168.4-69.7-79.1000110.4R234 H236 E237 H250 D251 I252R234-Y248 HydrophobicContact CB-CD1 3.56Å; R234-Y248 HydrophobicContact CB-CE1 3.88Å; R234-Y248 HydrophobicContact CB-CG 4.27Å; R234-Y248 PolarHBondContact NH1-OH 2.99Å; H236-Y248 WeakPolarHBondContact O-CE1 3.3Å; E237-Y248 HydrophobicContact CB-CE1 4.5Å; E237-Y248 HydrophobicContact CG-CE1 4.06Å; Y248-H250 PolarHBondContact O-N 3.24Å; Y248-H250 VanDerWaalsContact O-N 3.16Å; Y248-D251 PolarHBondContact N-OD2 3.31Å; Y248-D251 WeakPolarHBondContact O-CB 3.5Å; Y248-D251 PolarHBondContact O-N 3.39Å; Y248-I252 PolarHBondContact O-N 3.07Å
249K93.8Very high84.3Confident0 Ų060.3 Ų60.30%033%0.326CS..Hα-helixtrans-53.2-35.317365.8-175.9-178.9-174.40112.4R234 L235 D251 I252 I253 W262 L269 Q270 D272 D275R234-K249 PolarHBondContact O-N 3.49Å; L235-K249 WeakPolarHBondContact O-CE 3.41Å; L235-K249 PolarHBondContact O-NZ 3.3Å; K249-D251 VanDerWaalsContact C-N 3.33Å; K249-D251 PolarHBondContact O-N 3.35Å; K249-I252 PolarHBondContact O-N 3.13Å; K249-I253 VanDerWaalsContact O-CG1 3.31Å; K249-I253 WeakPolarHBondContact O-CG1 3.33Å; K249-I253 PolarHBondContact O-N 3.36Å; K249-W262 HydrophobicContact CB-CH2 3.97Å; K249-L269 HydrophobicContact CB-CD1 4.37Å; K249-Q270 VanDerWaalsContact CD-O 3.28Å; K249-Q270 WeakPolarHBondContact CD-O 3.34Å; K249-Q270 PolarHBondContact NZ-O 2.8Å; K249-D272 IonicContact NZ-OD2 3.47Å; K249-D272 PolarHBondContact NZ-OD2 3.12Å; K249-D275 WeakPolarHBondContact CE-OD2 3.43Å; K249-D275 IonicContact NZ-OD2 2.71Å; K249-D275 PolarHBondContact NZ-OD2 2.68Å
250H92.9Very high86.4Confident67 Ų6751.3 Ų51.331%0.3128%0.284SS..Hα-helixtrans-65-35.5178.5-54.2-50.4000112.5Y248 I252 I253 T254 D275Y248-H250 PolarHBondContact O-N 3.24Å; Y248-H250 VanDerWaalsContact O-N 3.16Å; H250-I252 VanDerWaalsContact C-N 3.34Å; H250-I253 PolarHBondContact O-N 3.06Å; H250-T254 WeakPolarHBondContact O-CB 3.08Å; H250-T254 PolarHBondContact O-N 3.27Å; H250-T254 PolarHBondContact O-OG1 2.81Å; H250-D275 IonicContact CE1-OD1 3.26Å; H250-D275 PolarHBondContact CE1-OD1 3.04Å; H250-D275 IonicContact CE1-OD2 3.95Å; H250-D275 PolarHBondContact CE1-OD2 3.05Å; H250-D275 VanDerWaalsContact CE1-OD2 3.26Å; H250-D275 IonicContact CG-OD1 3.46Å; H250-D275 IonicContact ND1-OD1 3.6Å; H250-D275 PolarHBondContact ND1-OD1 3.28Å; H250-D275 IonicContact ND1-OD2 3.27Å
251D94.4Very high88.5Confident46 Ų4650.1 Ų50.125%0.24627%0.273CS..Hα-helixtrans-63.3-45.5175.9-56.1-28.8000109.8V213 P247 Y248 K249 I253 T254 L255V213-D251 HydrophobicContact CG2-CB 3.67Å; P247-D251 HydrophobicContact CB-CB 4.13Å; Y248-D251 PolarHBondContact N-OD2 3.31Å; Y248-D251 WeakPolarHBondContact O-CB 3.5Å; Y248-D251 PolarHBondContact O-N 3.39Å; K249-D251 VanDerWaalsContact C-N 3.33Å; K249-D251 PolarHBondContact O-N 3.35Å; D251-I253 PolarHBondContact O-N 3.1Å; D251-T254 WeakPolarHBondContact O-CB 3.46Å; D251-T254 PolarHBondContact O-N 3.01Å; D251-L255 WeakPolarHBondContact O-CB 3.13Å; D251-L255 VanDerWaalsContact O-CG 3.27Å; D251-L255 WeakPolarHBondContact O-CG 3.39Å; D251-L255 PolarHBondContact O-N 2.78Å
252I96.4Very high90.7Very high0 Ų040.1 Ų40.10%023%0.226CC..Hα-helixtrans-62.4-46.8178.4-56.7-49.7000111.2L151 V228 V233 P247 Y248 K249 H250 T254 L255 L256 W262L151-I252 HydrophobicContact CD1-CD1 3.91Å; V228-I252 HydrophobicContact CB-CG2 4.13Å; V228-I252 HydrophobicContact CG1-CD1 4.27Å; V228-I252 HydrophobicContact CG1-CG2 3.82Å; V228-I252 HydrophobicContact CG2-CG2 4.23Å; V233-I252 HydrophobicContact CG1-CG1 3.88Å; P247-I252 HydrophobicContact CB-CD1 4.1Å; P247-I252 HydrophobicContact CG-CD1 3.66Å; P247-I252 HydrophobicContact CG-CG1 4.24Å; Y248-I252 PolarHBondContact O-N 3.07Å; K249-I252 PolarHBondContact O-N 3.13Å; H250-I252 VanDerWaalsContact C-N 3.34Å; I252-T254 VanDerWaalsContact C-N 3.28Å; I252-T254 PolarHBondContact O-N 2.76Å; I252-L255 PolarHBondContact O-N 2.57Å; I252-L256 WeakPolarHBondContact O-CG 3.33Å; I252-L256 PolarHBondContact O-N 3.1Å; I252-W262 HydrophobicContact CB-CZ2 4.47Å; I252-W262 HydrophobicContact CG2-CD2 3.63Å; I252-W262 HydrophobicContact CG2-CE3 4.14Å; I252-W262 HydrophobicContact CG2-CG 3.81Å; I252-W262 HydrophobicContact CG2-CZ2 4.22Å
253I96.6Very high92.6Very high4 Ų436.6 Ų36.62%0.02120%0.196CC..Hα-helixtrans-63.1-38178.3-65.3164.4000111.1K249 H250 D251 L255 L256 W262 L271 D275 L279 K282K249-I253 VanDerWaalsContact O-CG1 3.31Å; K249-I253 WeakPolarHBondContact O-CG1 3.33Å; K249-I253 PolarHBondContact O-N 3.36Å; H250-I253 PolarHBondContact O-N 3.06Å; D251-I253 PolarHBondContact O-N 3.1Å; I253-L255 VanDerWaalsContact C-N 3.32Å; I253-L256 PolarHBondContact O-N 3.13Å; I253-W262 HydrophobicContact CD1-CZ3 4.2Å; I253-W262 HydrophobicContact CG1-CE3 4.22Å; I253-W262 HydrophobicContact CG1-CZ3 3.89Å; I253-L271 HydrophobicContact CD1-CD2 4.34Å; I253-D275 HydrophobicContact CD1-CB 3.55Å; I253-D275 WeakPolarHBondContact CD1-OD1 3.46Å; I253-L279 HydrophobicContact CG1-CD2 4.17Å; I253-L279 HydrophobicContact CG1-CG 4.3Å; I253-L279 HydrophobicContact CG2-CD2 4.24Å; I253-L279 HydrophobicContact CG2-CG 4.24Å; I253-K282 WeakPolarHBondContact O-CE 3.41Å
254T95.8Very high94.1Very high72 Ų7229.3 Ų29.344%0.44217%0.169SC..Hα-helixtrans-61.8-44176.7-62.40000110.9V213 H250 D251 I252 L256 K282V213-T254 HydrophobicContact CG1-CG2 4.03Å; H250-T254 WeakPolarHBondContact O-CB 3.08Å; H250-T254 PolarHBondContact O-N 3.27Å; H250-T254 PolarHBondContact O-OG1 2.81Å; D251-T254 WeakPolarHBondContact O-CB 3.46Å; D251-T254 PolarHBondContact O-N 3.01Å; I252-T254 VanDerWaalsContact C-N 3.28Å; I252-T254 PolarHBondContact O-N 2.76Å; T254-L256 VanDerWaalsContact C-N 3.3Å; T254-L256 PolarHBondContact O-N 2.94Å; T254-K282 PolarHBondContact O-NZ 2.84Å; T254-K282 VanDerWaalsContact O-NZ 3.11Å
255L97.3Very high95Very high0 Ų028.9 Ų28.90%017%0.165CC..Hα-helixtrans-69.2-20.7-178.8-74.8176.8000115L149 L212 V213 C216 L217 G224 V225 D251 I252 I253 G257L149-L255 HydrophobicContact CD2-CD1 3.79Å; L212-L255 HydrophobicContact CD2-CD1 4.41Å; L212-L255 HydrophobicContact CG-CD1 4.26Å; V213-L255 HydrophobicContact CB-CD2 4.39Å; V213-L255 HydrophobicContact CG1-CD2 4.02Å; V213-L255 HydrophobicContact CG1-CG 4.37Å; V213-L255 HydrophobicContact CG2-CD1 4.34Å; V213-L255 HydrophobicContact CG2-CG 4.28Å; C216-L255 HydrophobicContact CB-CD1 4.33Å; C216-L255 HydrophobicContact CB-CD2 3.42Å; C216-L255 VanDerWaalsContact CB-CD2 3.42Å; C216-L255 HydrophobicContact CB-CG 4.5Å; L217-L255 HydrophobicContact CD2-CD2 4.3Å; L217-L255 HydrophobicContact CG-CD2 4.16Å; G224-L255 CarbonylContact C-O 3.59Å; G224-L255 WeakPolarHBondContact CA-O 3.29Å; V225-L255 PolarHBondContact N-O 3.05Å; D251-L255 WeakPolarHBondContact O-CB 3.13Å; D251-L255 VanDerWaalsContact O-CG 3.27Å; D251-L255 WeakPolarHBondContact O-CG 3.39Å; D251-L255 PolarHBondContact O-N 2.78Å; I252-L255 PolarHBondContact O-N 2.57Å; I253-L255 VanDerWaalsContact C-N 3.32Å; L255-G257 PolarHBondContact O-N 3.16Å
256L97.9Very high95.3Very high0 Ų028.7 Ų28.70%016%0.163CC..EExtended strand (participates in β ladder)trans-66.7129.3178.2-70.7165.8000111.2V228 I252 I253 T254 W262 L279 K282 A284V228-L256 HydrophobicContact CB-CD2 4.43Å; V228-L256 HydrophobicContact CG2-CD2 3.84Å; V228-L256 HydrophobicContact CG2-CG 4.46Å; I252-L256 WeakPolarHBondContact O-CG 3.33Å; I252-L256 PolarHBondContact O-N 3.1Å; I253-L256 PolarHBondContact O-N 3.13Å; T254-L256 VanDerWaalsContact C-N 3.3Å; T254-L256 PolarHBondContact O-N 2.94Å; L256-W262 HydrophobicContact CD1-CB 3.95Å; L256-W262 HydrophobicContact CD2-CB 4.23Å; L256-L279 HydrophobicContact CD1-CD2 3.74Å; L256-K282 HydrophobicContact CB-CD 4.37Å; L256-K282 WeakPolarHBondContact O-CD 3.47Å; L256-K282 PolarHBondContact O-NZ 2.76Å; L256-A284 HydrophobicContact CD1-CB 4.14Å
257G96.9Very high95.4Very high5 Ų530.9 Ų30.95%0.05217%0.171CC..EExtended strand (participates in β ladder)trans-69.1176.6166.200000112.4L223 V225 L255 G259 G260L223-G257 WeakPolarHBondContact O-CA 3.28Å; V225-G257 PolarHBondContact O-N 3.1Å; L255-G257 PolarHBondContact O-N 3.16Å; G257-G259 PolarHBondContact O-N 2.91Å; G257-G260 PolarHBondContact O-N 3.33Å; G257-G260 VanDerWaalsContact O-N 3.09Å
258V96.5Very high95.2Very high122 Ų12234.5 Ų34.574%0.73919%0.19SC*.EExtended strand (participates in β ladder)trans-66.3128.2173.5178.40000109.4G260 K282V258-G260 VanDerWaalsContact C-N 3.26Å; V258-K282 CarbonylContact C-O 3.58Å; V258-K282 VanDerWaalsContact CA-O 3.3Å; V258-K282 WeakPolarHBondContact CA-O 3.46Å
259G96.6Very high95.3Very high33 Ų3333.2 Ų33.234%0.3419%0.186SC..EExtended strand (participates in β ladder)trans78.27.8-174.200000114.1G257 K282 A283G257-G259 PolarHBondContact O-N 2.91Å; G259-K282 PolarHBondContact N-O 2.83Å; G259-A283 WeakPolarHBondContact CA-O 3.38Å
260G97.6Very high95.2Very high0 Ų038 Ų380%021%0.209CC..EExtended strand (participates in β ladder)trans-62.5155.2-173.500000114.6D226 G257 V258 A284 S285D226-G260 CarbonylContact O-C 3.54Å; D226-G260 VanDerWaalsContact O-CA 3.22Å; D226-G260 WeakPolarHBondContact O-CA 3.4Å; G257-G260 PolarHBondContact O-N 3.33Å; G257-G260 VanDerWaalsContact O-N 3.09Å; V258-G260 VanDerWaalsContact C-N 3.26Å; G260-A284 CarbonylContact O-C 3.59Å; G260-A284 VanDerWaalsContact O-CA 3.24Å; G260-A284 WeakPolarHBondContact O-CA 3.3Å; G260-A284 WeakPolarHBondContact O-CB 3.47Å; G260-S285 PolarHBondContact O-N 2.76Å
261H98.5Very high95.2Very high43 Ų4337.6 Ų37.620%0.19921%0.208CC..EExtended strand (participates in β ladder)trans-116.4113.7-179.8-59.7-73.9000110.5A140 D226 I227 V228 S285A140-H261 HydrophobicContact CB-CB 3.98Å; A140-H261 PolarHBondContact O-CD2 2.96Å; D226-H261 PolarHBondContact O-N 3.48Å; I227-H261 CarbonylContact C-O 3.55Å; I227-H261 WeakPolarHBondContact CA-O 3.21Å; V228-H261 PolarHBondContact N-O 3.49Å; H261-S285 PolarHBondContact ND1-OG 2.89Å
262W98.4Very high95Very high0 Ų038.4 Ų38.40%021%0.213CC..EExtended strand (participates in β ladder)trans-96.5117.9169.4177.916.6000109.9D230 V233 K249 I252 I253 L256 L269 L271 S285 L286 S287D230-W262 PolarHBondContact OD2-NE1 3.33Å; V233-W262 HydrophobicContact CG1-CZ2 3.9Å; V233-W262 HydrophobicContact CG2-CH2 4.46Å; V233-W262 HydrophobicContact CG2-CZ2 4.01Å; K249-W262 HydrophobicContact CB-CH2 3.97Å; I252-W262 HydrophobicContact CB-CZ2 4.47Å; I252-W262 HydrophobicContact CG2-CD2 3.63Å; I252-W262 HydrophobicContact CG2-CE3 4.14Å; I252-W262 HydrophobicContact CG2-CG 3.81Å; I252-W262 HydrophobicContact CG2-CZ2 4.22Å; I253-W262 HydrophobicContact CD1-CZ3 4.2Å; I253-W262 HydrophobicContact CG1-CE3 4.22Å; I253-W262 HydrophobicContact CG1-CZ3 3.89Å; L256-W262 HydrophobicContact CD1-CB 3.95Å; L256-W262 HydrophobicContact CD2-CB 4.23Å; W262-L269 HydrophobicContact CH2-CD1 3.77Å; W262-L269 HydrophobicContact CH2-CD2 3.43Å; W262-L269 VanDerWaalsContact CH2-CD2 3.43Å; W262-L269 HydrophobicContact CH2-CG 4.24Å; W262-L269 HydrophobicContact CZ2-CD1 4.3Å; W262-L269 HydrophobicContact CZ2-CD2 3.72Å; W262-L269 HydrophobicContact CZ3-CD2 3.91Å; W262-L271 HydrophobicContact CZ3-CD2 4.16Å; W262-S285 PolarHBondContact N-O 2.98Å; W262-L286 HydrophobicContact CB-CD1 4.27Å; W262-L286 HydrophobicContact CD2-CD1 3.6Å; W262-L286 HydrophobicContact CE3-CD1 3.69Å; W262-L286 HydrophobicContact CG-CD1 3.9Å; W262-L286 HydrophobicContact CZ3-CD1 4.24Å; W262-L286 CarbonylContact O-C 3.52Å; W262-L286 WeakPolarHBondContact O-CA 3.42Å; W262-S287 PolarHBondContact O-N 2.95Å
263V98.3Very high95Very high1 Ų143.6 Ų43.61%0.00625%0.246CC..EExtended strand (participates in β ladder)trans-102.9114171.7-178.90000108.5A135 L139 A140 V228 I229 D230 S287 L289A135-V263 HydrophobicContact CB-CG1 3.99Å; L139-V263 HydrophobicContact CB-CG2 3.87Å; L139-V263 HydrophobicContact CD1-CG1 3.83Å; A140-V263 HydrophobicContact CB-CG2 3.93Å; V228-V263 PolarHBondContact O-N 3.09Å; I229-V263 HydrophobicContact CG1-CB 4.38Å; D230-V263 PolarHBondContact N-O 3.11Å; D230-V263 VanDerWaalsContact N-O 3.08Å; V263-S287 CarbonylContact C-O 3.52Å; V263-S287 WeakPolarHBondContact CA-O 3.41Å; V263-L289 HydrophobicContact CG1-CB 3.85Å
264T97Very high94.9Very high0 Ų047.5 Ų47.50%027%0.272CS..EExtended strand (participates in β ladder)trans-106.2142.2-175.8-166.60000113.5D230 E266 L269 L286 S287 F288 L289D230-T264 WeakPolarHBondContact OD2-CA 3.2Å; D230-T264 WeakPolarHBondContact OD2-CB 3.44Å; D230-T264 PolarHBondContact OD2-OG1 3.48Å; T264-E266 PolarHBondContact OG1-N 3.35Å; T264-E266 VanDerWaalsContact OG1-N 3.1Å; T264-L269 HydrophobicContact CG2-CD2 3.95Å; T264-L286 HydrophobicContact CG2-CD1 3.73Å; T264-S287 PolarHBondContact N-O 2.97Å; T264-F288 HydrophobicContact CG2-CD1 3.47Å; T264-F288 VanDerWaalsContact CG2-CD1 3.47Å; T264-F288 HydrophobicContact CG2-CE1 3.7Å; T264-F288 HydrophobicContact CG2-CG 4.01Å; T264-F288 HydrophobicContact CG2-CZ 4.39Å; T264-L289 PolarHBondContact O-N 3.47Å
265T92.9Very high94.8Very high39 Ų3944.3 Ų44.324%0.23925%0.252CS..  trans-96.3-6.416855.80000112.4D230 G232 Q267 L289D230-T265 PolarHBondContact OD1-N 3.24Å; D230-T265 PolarHBondContact OD1-OG1 3.09Å; G232-T265 PolarHBondContact N-OG1 3.32Å; G232-T265 VanDerWaalsContact N-OG1 3.1Å; T265-Q267 PolarHBondContact O-N 3.46Å; T265-L289 HydrophobicContact CG2-CB 4.43Å; T265-L289 HydrophobicContact CG2-CD2 4.09Å
266E92.2Very high94.7Very high48 Ų4847 Ų4722%0.22427%0.271CS..  trans-77.9104.8179.7-177.549.5-110.500110.4V233 L235 T264 N268 L269 F288V233-E266 HydrophobicContact CG2-CB 3.98Å; V233-E266 HydrophobicContact CG2-CG 4.18Å; L235-E266 HydrophobicContact CD2-CG 4.28Å; T264-E266 PolarHBondContact OG1-N 3.35Å; T264-E266 VanDerWaalsContact OG1-N 3.1Å; E266-N268 VanDerWaalsContact C-N 3.27Å; E266-N268 PolarHBondContact O-N 2.94Å; E266-N268 PolarHBondContact OE1-N 3.21Å; E266-N268 VanDerWaalsContact OE1-N 3.13Å; E266-L269 HydrophobicContact CB-CB 4.31Å; E266-L269 HydrophobicContact CG-CB 4.1Å; E266-L269 PolarHBondContact O-N 3.09Å; E266-F288 WeakPolarHBondContact O-CE1 3.37Å
267Q89.4Confident94.7Very high107 Ų10755.3 Ų55.350%0.530%0.302SS..THydrogen-bonded Turntrans-66.4-28.7-175.6-64.4177.44.100112.7D46 T265D46-Q267 PolarHBondContact OD2-NE2 2.96Å; D46-Q267 VanDerWaalsContact OD2-NE2 3.09Å; T265-Q267 PolarHBondContact O-N 3.46Å
268N88.6Confident94.7Very high90 Ų9057.4 Ų57.448%0.48132%0.316SS..THydrogen-bonded Turntrans-109.932.2-176-53.4-71.6000111.8L235 E266 Q270L235-N268 WeakPolarHBondContact CD1-O 3.21Å; E266-N268 VanDerWaalsContact C-N 3.27Å; E266-N268 PolarHBondContact O-N 2.94Å; E266-N268 PolarHBondContact OE1-N 3.21Å; E266-N268 VanDerWaalsContact OE1-N 3.13Å; N268-Q270 PolarHBondContact O-N 3.37Å
269L93Very high94.7Very high21 Ų2152.2 Ų52.211%0.1128%0.284CS..  trans-60.2125.2-178.8179.759.5000111.3V233 L235 K249 W262 T264 E266 L271 L286 F288V233-L269 HydrophobicContact CG2-CD1 3.9Å; L235-L269 HydrophobicContact CD2-CD1 3.5Å; K249-L269 HydrophobicContact CB-CD1 4.37Å; W262-L269 HydrophobicContact CH2-CD1 3.77Å; W262-L269 HydrophobicContact CH2-CD2 3.43Å; W262-L269 VanDerWaalsContact CH2-CD2 3.43Å; W262-L269 HydrophobicContact CH2-CG 4.24Å; W262-L269 HydrophobicContact CZ2-CD1 4.3Å; W262-L269 HydrophobicContact CZ2-CD2 3.72Å; W262-L269 HydrophobicContact CZ3-CD2 3.91Å; T264-L269 HydrophobicContact CG2-CD2 3.95Å; E266-L269 HydrophobicContact CB-CB 4.31Å; E266-L269 HydrophobicContact CG-CB 4.1Å; E266-L269 PolarHBondContact O-N 3.09Å; L269-L271 HydrophobicContact CD2-CD2 4.46Å; L269-L271 HydrophobicContact CG-CD2 4.44Å; L269-L286 HydrophobicContact CD2-CD1 3.77Å; L269-L286 HydrophobicContact CD2-CD2 3.58Å; L269-L286 HydrophobicContact CD2-CG 4.32Å; L269-F288 HydrophobicContact CB-CE1 3.91Å; L269-F288 HydrophobicContact CB-CZ 4.21Å
270Q92.3Very high94.8Very high101 Ų10158.4 Ų58.447%0.47230%0.302SS..  trans-108124175.7-65.5179.6-1.600110.1H236 K249 N268H236-Q270 PolarHBondContact CE1-OE1 3.4Å; K249-Q270 VanDerWaalsContact CD-O 3.28Å; K249-Q270 WeakPolarHBondContact CD-O 3.34Å; K249-Q270 PolarHBondContact NZ-O 2.8Å; N268-Q270 PolarHBondContact O-N 3.37Å
271L92.3Very high94.8Very high58 Ų5864.2 Ų64.230%0.30433%0.332SS..  trans-103120.5174-64.4-179.6000109.7I253 W262 L269 D275 L279 L286I253-L271 HydrophobicContact CD1-CD2 4.34Å; W262-L271 HydrophobicContact CZ3-CD2 4.16Å; L269-L271 HydrophobicContact CD2-CD2 4.46Å; L269-L271 HydrophobicContact CG-CD2 4.44Å; L271-D275 HydrophobicContact CB-CB 4.36Å; L271-D275 HydrophobicContact CD2-CB 4.16Å; L271-L279 HydrophobicContact CD1-CD1 3.82Å; L271-L279 HydrophobicContact CD2-CD1 4.3Å; L271-L286 HydrophobicContact CD1-CD2 3.73Å; L271-L286 HydrophobicContact CG-CD2 4.3Å
272D91.7Very high94.7Very high63 Ų6364.9 Ų64.934%0.33733%0.334SS..  trans-78.5163.5174.9-63-47.7000110.4K249 P274 D275 S276K249-D272 IonicContact NZ-OD2 3.47Å; K249-D272 PolarHBondContact NZ-OD2 3.12Å; D272-P274 VanDerWaalsContact C-CD 3.42Å; D272-P274 VanDerWaalsContact C-N 3.3Å; D272-D275 PolarHBondContact N-OD2 3.22Å; D272-D275 WeakPolarHBondContact O-CB 3.49Å; D272-D275 PolarHBondContact O-N 2.84Å; D272-S276 PolarHBondContact O-N 2.93Å; D272-S276 PolarHBondContact O-OG 3.46Å
273P95.3Very high94.7Very high108 Ų10868.4 Ų68.470%0.70136%0.363SS*.Hα-helixtrans-52.9-38.6176.6-2634000114.5R277P273-R277 WeakPolarHBondContact O-CB 3.31Å; P273-R277 PolarHBondContact O-N 2.92Å
274P93.9Very high94.7Very high86 Ų8669.2 Ų69.256%0.55837%0.371SS*.Hα-helixtrans-63.3-39.6173.4-23.535.9000113.6D272 R277 S278D272-P274 VanDerWaalsContact C-CD 3.42Å; D272-P274 VanDerWaalsContact C-N 3.3Å; P274-R277 WeakPolarHBondContact O-CB 3.43Å; P274-R277 PolarHBondContact O-N 3.25Å; P274-S278 PolarHBondContact O-N 3.35Å; P274-S278 PolarHBondContact O-OG 2.93Å
275D94.8Very high94.7Very high5 Ų571.2 Ų71.23%0.02738%0.384CS..Hα-helixtrans-64.3-47.9177.8-67.8-34.5000111.7K249 H250 I253 L271 D272 R277 S278 L279K249-D275 WeakPolarHBondContact CE-OD2 3.43Å; K249-D275 IonicContact NZ-OD2 2.71Å; K249-D275 PolarHBondContact NZ-OD2 2.68Å; H250-D275 IonicContact CE1-OD1 3.26Å; H250-D275 PolarHBondContact CE1-OD1 3.04Å; H250-D275 IonicContact CE1-OD2 3.95Å; H250-D275 PolarHBondContact CE1-OD2 3.05Å; H250-D275 VanDerWaalsContact CE1-OD2 3.26Å; H250-D275 IonicContact CG-OD1 3.46Å; H250-D275 IonicContact ND1-OD1 3.6Å; H250-D275 PolarHBondContact ND1-OD1 3.28Å; H250-D275 IonicContact ND1-OD2 3.27Å; I253-D275 HydrophobicContact CD1-CB 3.55Å; I253-D275 WeakPolarHBondContact CD1-OD1 3.46Å; L271-D275 HydrophobicContact CB-CB 4.36Å; L271-D275 HydrophobicContact CD2-CB 4.16Å; D272-D275 PolarHBondContact N-OD2 3.22Å; D272-D275 WeakPolarHBondContact O-CB 3.49Å; D272-D275 PolarHBondContact O-N 2.84Å; D275-R277 PolarHBondContact O-N 3.1Å; D275-S278 PolarHBondContact O-N 3.35Å; D275-S278 VanDerWaalsContact O-N 3.11Å; D275-L279 WeakPolarHBondContact O-CG 3.28Å; D275-L279 PolarHBondContact O-N 3.1Å
276S95.7Very high94.9Very high56 Ų5671.4 Ų71.439%0.39238%0.384SS..Hα-helixtrans-59.3-40.3177.2-58.40000110.7D272 F280D272-S276 PolarHBondContact O-N 2.93Å; D272-S276 PolarHBondContact O-OG 3.46Å; S276-F280 VanDerWaalsContact O-CB 3.3Å; S276-F280 WeakPolarHBondContact O-CB 3.5Å; S276-F280 PolarHBondContact O-N 3.32Å
277R97Very high95.2Very high176 Ų17670.5 Ų70.566%0.66438%0.383SS*.Hα-helixtrans-64.9-43174.8-176.8178.2179.3-179.3-0.6111.9P273 P274 D275 F280 L281P273-R277 WeakPolarHBondContact O-CB 3.31Å; P273-R277 PolarHBondContact O-N 2.92Å; P274-R277 WeakPolarHBondContact O-CB 3.43Å; P274-R277 PolarHBondContact O-N 3.25Å; D275-R277 PolarHBondContact O-N 3.1Å; R277-F280 WeakPolarHBondContact O-CB 3.31Å; R277-F280 PolarHBondContact O-N 2.95Å; R277-L281 HydrophobicContact CG-CD1 4.25Å; R277-L281 HydrophobicContact CG-CG 4.49Å; R277-L281 VanDerWaalsContact O-CG 3.32Å; R277-L281 WeakPolarHBondContact O-CG 3.48Å; R277-L281 PolarHBondContact O-N 3.34Å
278S96.4Very high95.5Very high48 Ų4870.3 Ų70.334%0.33638%0.38SS..Hα-helixtrans-64.5-44178.2-700000112.2P274 D275 F280 L281 K282P274-S278 PolarHBondContact O-N 3.35Å; P274-S278 PolarHBondContact O-OG 2.93Å; D275-S278 PolarHBondContact O-N 3.35Å; D275-S278 VanDerWaalsContact O-N 3.11Å; S278-F280 VanDerWaalsContact C-N 3.34Å; S278-F280 PolarHBondContact O-N 3.38Å; S278-L281 PolarHBondContact O-N 3.31Å; S278-K282 WeakPolarHBondContact O-CG 3.4Å; S278-K282 PolarHBondContact O-N 3.05Å
279L97.2Very high95.8Very high13 Ų1366.9 Ų66.97%0.06836%0.362CS..Hα-helixtrans-59.9-44.9173-72171.4000111.3I253 L256 L271 D275 L281 K282 A283 A284I253-L279 HydrophobicContact CG1-CD2 4.17Å; I253-L279 HydrophobicContact CG1-CG 4.3Å; I253-L279 HydrophobicContact CG2-CD2 4.24Å; I253-L279 HydrophobicContact CG2-CG 4.24Å; L256-L279 HydrophobicContact CD1-CD2 3.74Å; L271-L279 HydrophobicContact CD1-CD1 3.82Å; L271-L279 HydrophobicContact CD2-CD1 4.3Å; D275-L279 WeakPolarHBondContact O-CG 3.28Å; D275-L279 PolarHBondContact O-N 3.1Å; L279-L281 PolarHBondContact O-N 3.32Å; L279-K282 CarbonylContact O-C 3.56Å; L279-K282 PolarHBondContact O-N 2.97Å; L279-A283 PolarHBondContact O-N 3.31Å; L279-A284 HydrophobicContact CD2-CB 3.81Å; L279-A284 PolarHBondContact O-N 3.21Å
280F97.8Very high95.5Very high164 Ų16469.2 Ų69.272%0.71938%0.375SS*.Hα-helixtrans-58.9-46.9176.1174.6-94.6000112.2S276 R277 S278 K282 A283S276-F280 VanDerWaalsContact O-CB 3.3Å; S276-F280 WeakPolarHBondContact O-CB 3.5Å; S276-F280 PolarHBondContact O-N 3.32Å; R277-F280 WeakPolarHBondContact O-CB 3.31Å; R277-F280 PolarHBondContact O-N 2.95Å; S278-F280 VanDerWaalsContact C-N 3.34Å; S278-F280 PolarHBondContact O-N 3.38Å; F280-K282 VanDerWaalsContact C-N 3.27Å; F280-K282 PolarHBondContact O-N 2.89Å; F280-A283 PolarHBondContact O-N 2.81Å
281L97.4Very high94.8Very high122 Ų12265.8 Ų65.864%0.63936%0.359SS*.Hα-helixtrans-64.6-32.1179.8-72.3174.2000112.7R277 S278 L279 A283R277-L281 HydrophobicContact CG-CD1 4.25Å; R277-L281 HydrophobicContact CG-CG 4.49Å; R277-L281 VanDerWaalsContact O-CG 3.32Å; R277-L281 WeakPolarHBondContact O-CG 3.48Å; R277-L281 PolarHBondContact O-N 3.34Å; S278-L281 PolarHBondContact O-N 3.31Å; L279-L281 PolarHBondContact O-N 3.32Å; L281-A283 VanDerWaalsContact C-N 3.28Å
282K97.4Very high94.4Very high56 Ų5664.3 Ų64.324%0.24335%0.35CS..THydrogen-bonded Turntrans-82.2-5.1174.7-70169.6178.2-84.50112.7I253 T254 L256 V258 G259 S278 L279 F280 A284I253-K282 WeakPolarHBondContact O-CE 3.41Å; T254-K282 PolarHBondContact O-NZ 2.84Å; T254-K282 VanDerWaalsContact O-NZ 3.11Å; L256-K282 HydrophobicContact CB-CD 4.37Å; L256-K282 WeakPolarHBondContact O-CD 3.47Å; L256-K282 PolarHBondContact O-NZ 2.76Å; V258-K282 CarbonylContact C-O 3.58Å; V258-K282 VanDerWaalsContact CA-O 3.3Å; V258-K282 WeakPolarHBondContact CA-O 3.46Å; G259-K282 PolarHBondContact N-O 2.83Å; S278-K282 WeakPolarHBondContact O-CG 3.4Å; S278-K282 PolarHBondContact O-N 3.05Å; L279-K282 CarbonylContact O-C 3.56Å; L279-K282 PolarHBondContact O-N 2.97Å; F280-K282 VanDerWaalsContact C-N 3.27Å; F280-K282 PolarHBondContact O-N 2.89Å; K282-A284 HydrophobicContact CB-CB 3.96Å; K282-A284 PolarHBondContact O-N 3.11Å; K282-A284 VanDerWaalsContact O-N 3.13Å
283A97.8Very high93.7Very high74 Ų7464.2 Ų64.261%0.61235%0.352SS*.THydrogen-bonded Turntrans49.331.9-166.300000112.5G259 L279 F280 L281G259-A283 WeakPolarHBondContact CA-O 3.38Å; L279-A283 PolarHBondContact O-N 3.31Å; F280-A283 PolarHBondContact O-N 2.81Å; L281-A283 VanDerWaalsContact C-N 3.28Å
284A97.8Very high93.1Very high19 Ų1959.3 Ų59.316%0.15732%0.319CS..  trans-83.3160.2-177.100000110.8L256 G260 L279 K282L256-A284 HydrophobicContact CD1-CB 4.14Å; G260-A284 CarbonylContact O-C 3.59Å; G260-A284 VanDerWaalsContact O-CA 3.24Å; G260-A284 WeakPolarHBondContact O-CA 3.3Å; G260-A284 WeakPolarHBondContact O-CB 3.47Å; L279-A284 HydrophobicContact CD2-CB 3.81Å; L279-A284 PolarHBondContact O-N 3.21Å; K282-A284 HydrophobicContact CB-CB 3.96Å; K282-A284 PolarHBondContact O-N 3.11Å; K282-A284 VanDerWaalsContact O-N 3.13Å
285S97.6Very high92Very high41 Ų4156.6 Ų56.629%0.28731%0.307SS..EExtended strand (participates in β ladder)trans-123.7147.9179.461.40000111.4G260 H261 W262G260-S285 PolarHBondContact O-N 2.76Å; H261-S285 PolarHBondContact ND1-OG 2.89Å; W262-S285 PolarHBondContact N-O 2.98Å
286L97.5Very high90.9Very high44 Ų4460.5 Ų60.523%0.2334%0.34CS..EExtended strand (participates in β ladder)trans-114.3136172.9170.266.6000108.5W262 T264 L269 L271 F288W262-L286 HydrophobicContact CB-CD1 4.27Å; W262-L286 HydrophobicContact CD2-CD1 3.6Å; W262-L286 HydrophobicContact CE3-CD1 3.69Å; W262-L286 HydrophobicContact CG-CD1 3.9Å; W262-L286 HydrophobicContact CZ3-CD1 4.24Å; W262-L286 CarbonylContact O-C 3.52Å; W262-L286 WeakPolarHBondContact O-CA 3.42Å; T264-L286 HydrophobicContact CG2-CD1 3.73Å; L269-L286 HydrophobicContact CD2-CD1 3.77Å; L269-L286 HydrophobicContact CD2-CD2 3.58Å; L269-L286 HydrophobicContact CD2-CG 4.32Å; L271-L286 HydrophobicContact CD1-CD2 3.73Å; L271-L286 HydrophobicContact CG-CD2 4.3Å; L286-F288 HydrophobicContact CD2-CE2 4.18Å; L286-F288 HydrophobicContact CD2-CZ 4.18Å; L286-F288 HydrophobicContact CG-CE2 4.4Å
287S97.3Very high89.8Confident29 Ų2959.5 Ų59.520%0.20333%0.333CS..EExtended strand (participates in β ladder)trans-136139.4175.9-69.80000110.8W262 V263 T264W262-S287 PolarHBondContact O-N 2.95Å; V263-S287 CarbonylContact C-O 3.52Å; V263-S287 WeakPolarHBondContact CA-O 3.41Å; T264-S287 PolarHBondContact N-O 2.97Å
288F95.8Very high88.7Confident102 Ų10256.4 Ų56.445%0.44734%0.338SS..EExtended strand (participates in β ladder)trans-91.4125176.1-65.4-94.7000110.1T264 E266 L269 L286 N290T264-F288 HydrophobicContact CG2-CD1 3.47Å; T264-F288 VanDerWaalsContact CG2-CD1 3.47Å; T264-F288 HydrophobicContact CG2-CE1 3.7Å; T264-F288 HydrophobicContact CG2-CG 4.01Å; T264-F288 HydrophobicContact CG2-CZ 4.39Å; E266-F288 WeakPolarHBondContact O-CE1 3.37Å; L269-F288 HydrophobicContact CB-CE1 3.91Å; L269-F288 HydrophobicContact CB-CZ 4.21Å; L286-F288 HydrophobicContact CD2-CE2 4.18Å; L286-F288 HydrophobicContact CD2-CZ 4.18Å; L286-F288 HydrophobicContact CG-CE2 4.4Å; F288-N290 PolarHBondContact O-N 2.92Å
289L94.8Very high88Confident18 Ų1858.5 Ų58.59%0.09436%0.359CS..  trans-78.7112.6175-177.160.7000109.5T134 A135 L139 F157 V263 T264 T265T134-L289 HydrophobicContact CG2-CD1 3.7Å; A135-L289 HydrophobicContact CB-CD1 4.14Å; A135-L289 HydrophobicContact CB-CD2 4.29Å; L139-L289 HydrophobicContact CD1-CB 4.35Å; L139-L289 HydrophobicContact CD1-CD1 4Å; F157-L289 HydrophobicContact CE1-CD2 4.31Å; F157-L289 HydrophobicContact CE2-CD2 4.2Å; F157-L289 HydrophobicContact CZ-CD2 3.7Å; V263-L289 HydrophobicContact CG1-CB 3.85Å; T264-L289 PolarHBondContact O-N 3.47Å; T265-L289 HydrophobicContact CG2-CB 4.43Å; T265-L289 HydrophobicContact CG2-CD2 4.09Å
290N88.6Confident87.4Confident71 Ų7163.8 Ų63.838%0.3838%0.378SS..  trans-129.9105.3171.2179.21.2000109.1F288 E292 V293F288-N290 PolarHBondContact O-N 2.92Å; N290-E292 VanDerWaalsContact C-N 3.27Å; N290-E292 PolarHBondContact O-N 3.2Å; N290-E292 VanDerWaalsContact OD1-CB 3.29Å; N290-E292 WeakPolarHBondContact OD1-CB 3.4Å; N290-E292 PolarHBondContact OD1-N 2.72Å; N290-V293 HydrophobicContact CB-CG2 3.9Å; N290-V293 WeakPolarHBondContact O-CG2 3.28Å
291E77.3Confident86.9Confident29 Ų2957.5 Ų57.514%0.13635%0.351CS..THydrogen-bonded Turntrans-68.1-2417757.7-96.8-147.800114.3R127 R131 V293 W294R127-E291 IonicContact CZ-OE1 3.3Å; R127-E291 IonicContact NE-OE1 2.98Å; R127-E291 PolarHBondContact NE-OE1 3.45Å; R127-E291 IonicContact NH2-OE1 3.63Å; R127-E291 PolarHBondContact NH2-OE1 2.7Å; R131-E291 HydrophobicContact CG-CB 3.74Å; R131-E291 HydrophobicContact CG-CG 4.09Å; R131-E291 IonicContact NE-OE1 3.67Å; R131-E291 PolarHBondContact NE-OE1 3.5Å; R131-E291 IonicContact NE-OE2 3.99Å; R131-E291 PolarHBondContact NE-OE2 3.23Å; E291-V293 PolarHBondContact O-N 2.92Å; E291-V293 VanDerWaalsContact O-N 3.15Å; E291-W294 PolarHBondContact O-N 3.39Å
292E82.4Confident86.6Confident26 Ų2654.4 Ų54.412%0.12135%0.349CS..Hα-helixtrans-67.2-18.3-177.4-57.7-55.1148.400112.4L49 R64 L92 N290 W294 G295 A296L49-E292 HydrophobicContact CD2-CG 3.97Å; R64-E292 IonicContact CZ-OE1 2.67Å; R64-E292 IonicContact CZ-OE2 3.03Å; R64-E292 VanDerWaalsContact CZ-OE2 3.3Å; R64-E292 IonicContact NH1-OE1 2.68Å; R64-E292 PolarHBondContact NH1-OE1 3.11Å; R64-E292 IonicContact NH1-OE2 2.67Å; R64-E292 PolarHBondContact NH1-OE2 3.25Å; R64-E292 IonicContact NH2-OE1 3.69Å; R64-E292 IonicContact NH2-OE2 3.77Å; R64-E292 PolarHBondContact NH2-OE2 2.94Å; L92-E292 HydrophobicContact CD2-CG 4.4Å; N290-E292 VanDerWaalsContact C-N 3.27Å; N290-E292 PolarHBondContact O-N 3.2Å; N290-E292 VanDerWaalsContact OD1-CB 3.29Å; N290-E292 WeakPolarHBondContact OD1-CB 3.4Å; N290-E292 PolarHBondContact OD1-N 2.72Å; E292-W294 PolarHBondContact O-N 3.21Å; E292-W294 VanDerWaalsContact O-N 3.13Å; E292-G295 PolarHBondContact O-N 3.41Å; E292-G295 VanDerWaalsContact O-N 3.09Å; E292-A296 WeakPolarHBondContact O-CB 3.11Å; E292-A296 PolarHBondContact O-N 2.97Å
293V78.3Confident86.3Confident62 Ų6257.1 Ų57.138%0.37636%0.357SS..Hα-helixtrans-54.5-34177.5175.40000111.7N290 E291 S297N290-V293 HydrophobicContact CB-CG2 3.9Å; N290-V293 WeakPolarHBondContact O-CG2 3.28Å; E291-V293 PolarHBondContact O-N 2.92Å; E291-V293 VanDerWaalsContact O-N 3.15Å; V293-S297 WeakPolarHBondContact O-CB 3.43Å; V293-S297 PolarHBondContact O-N 3.21Å; V293-S297 VanDerWaalsContact O-N 3.13Å
294W82.9Confident86.1Confident4 Ų453.8 Ų53.82%0.01533%0.329CS..Hα-helixtrans-73.8-38.5179.7-60.7108.5000113.1L130 T134 T138 E291 E292 R300 R303 Y304 I307L130-W294 HydrophobicContact CD1-CG 4.13Å; L130-W294 HydrophobicContact CD2-CB 4.42Å; L130-W294 HydrophobicContact CD2-CG 4.47Å; T134-W294 HydrophobicContact CG2-CZ2 4.5Å; T134-W294 PolarHBondContact OG1-NE1 2.9Å; T138-W294 HydrophobicContact CG2-CH2 4.31Å; T138-W294 HydrophobicContact CG2-CZ2 4.11Å; E291-W294 PolarHBondContact O-N 3.39Å; E292-W294 PolarHBondContact O-N 3.21Å; E292-W294 VanDerWaalsContact O-N 3.13Å; W294-R300 HydrophobicContact CE3-CB 4.21Å; W294-R300 HydrophobicContact CZ3-CB 3.93Å; W294-R303 HydrophobicContact CH2-CG 3.79Å; W294-R303 HydrophobicContact CZ3-CB 3.95Å; W294-R303 HydrophobicContact CZ3-CG 3.72Å; W294-Y304 HydrophobicContact CB-CD2 3.55Å; W294-Y304 HydrophobicContact CB-CE2 4.27Å; W294-Y304 HydrophobicContact CB-CG 4.17Å; W294-Y304 HydrophobicContact CG-CD2 4.2Å; W294-I307 HydrophobicContact CH2-CD1 3.94Å; W294-I307 HydrophobicContact CZ2-CD1 3.83Å; W294-I307 HydrophobicContact CZ3-CD1 4.41Å
295G70.2Confident85.9Confident29 Ų2954.2 Ų54.230%0.29933%0.328SS..Hα-helixtrans-74-28.6176.500000112.8E292E292-G295 PolarHBondContact O-N 3.41Å; E292-G295 VanDerWaalsContact O-N 3.09Å
296A70.6Confident85.8Confident88 Ų8858.3 Ų58.373%0.72734%0.343SS*.Hα-helixtrans-88-16.7-178.700000114.2E292E292-A296 WeakPolarHBondContact O-CB 3.11Å; E292-A296 PolarHBondContact O-N 2.97Å
297S73.1Confident85.7Confident35 Ų3556.6 Ų56.625%0.24533%0.334CS..  trans-109.3100.3-172.7-168.10000113.4V293 A299 R300V293-S297 WeakPolarHBondContact O-CB 3.43Å; V293-S297 PolarHBondContact O-N 3.21Å; V293-S297 VanDerWaalsContact O-N 3.13Å; S297-A299 PolarHBondContact O-N 2.94Å; S297-R300 PolarHBondContact O-N 3.36Å
298S74.9Confident85.7Confident110 Ų11055.2 Ų55.277%0.76932%0.324SS*.G310 helixtrans-61.3-28.4172.258.70000113.3R300 Q301S298-R300 PolarHBondContact O-N 3.25Å; S298-Q301 PolarHBondContact O-N 3.23Å
299A82.1Confident85.7Confident93 Ų9356.2 Ų56.277%0.76933%0.328SS*.G310 helixtrans-66.5-21.7-178.800000113.6S297S297-A299 PolarHBondContact O-N 2.94Å
300R84.2Confident85.8Confident123 Ų12356.7 Ų56.746%0.46433%0.331SS..G310 helixtrans-113.716.4-178.2-64.2-171.3176.8-171.42.2113.2W294 S297 S298 G302 R303 Y304W294-R300 HydrophobicContact CE3-CB 4.21Å; W294-R300 HydrophobicContact CZ3-CB 3.93Å; S297-R300 PolarHBondContact O-N 3.36Å; S298-R300 PolarHBondContact O-N 3.25Å; R300-G302 VanDerWaalsContact C-N 3.28Å; R300-G302 PolarHBondContact O-N 3.43Å; R300-R303 PolarHBondContact O-N 3.39Å; R300-Y304 PolarHBondContact O-N 3.35Å
301Q87.7Confident86.2Confident32 Ų3253.3 Ų53.315%0.1531%0.313CS..Hα-helixtrans-53.7-43.1-175.5-16264.429.700113.3N108 S298 R303 Y304 L305N108-Q301 HydrophobicContact CB-CG 4.11Å; N108-Q301 PolarHBondContact O-NE2 3.49Å; S298-Q301 PolarHBondContact O-N 3.23Å; Q301-R303 VanDerWaalsContact C-N 3.3Å; Q301-R303 PolarHBondContact O-N 2.89Å; Q301-Y304 WeakPolarHBondContact O-CB 3.42Å; Q301-Y304 PolarHBondContact O-N 3.42Å; Q301-L305 HydrophobicContact CG-CD1 4.43Å; Q301-L305 PolarHBondContact O-N 3.02Å
302G90.8Very high87.2Confident58 Ų5852.1 Ų52.160%0.59831%0.308SS*.Hα-helixtrans-61.4-37.7178.800000113R300 H306R300-G302 VanDerWaalsContact C-N 3.28Å; R300-G302 PolarHBondContact O-N 3.43Å; G302-H306 WeakPolarHBondContact O-CB 3.34Å; G302-H306 PolarHBondContact O-N 3.01Å
303R91.3Very high87.8Confident112 Ų11256.5 Ų56.542%0.42333%0.328SS..Hα-helixtrans-71.8-40.1176.9-176.8170.7176.91722.1111.4T138 W294 R300 Q301 H306 I307T138-R303 PolarHBondContact OG1-NH2 2.91Å; W294-R303 HydrophobicContact CH2-CG 3.79Å; W294-R303 HydrophobicContact CZ3-CB 3.95Å; W294-R303 HydrophobicContact CZ3-CG 3.72Å; R300-R303 PolarHBondContact O-N 3.39Å; Q301-R303 VanDerWaalsContact C-N 3.3Å; Q301-R303 PolarHBondContact O-N 2.89Å; R303-H306 PolarHBondContact O-N 3.11Å; R303-I307 HydrophobicContact CG-CD1 4.04Å; R303-I307 VanDerWaalsContact O-CG1 3.3Å; R303-I307 WeakPolarHBondContact O-CG1 3.33Å; R303-I307 PolarHBondContact O-N 2.99Å
304Y93.4Very high88.7Confident4 Ų454.2 Ų54.22%0.01631%0.313CS..Hα-helixtrans-57.2-52.4172.8165.9-105.1000111.3L130 W294 R300 Q301 H306 I307 M308L130-Y304 HydrophobicContact CD1-CD2 4.08Å; L130-Y304 HydrophobicContact CD1-CE2 4.39Å; L130-Y304 HydrophobicContact CD2-CD2 4.14Å; L130-Y304 HydrophobicContact CD2-CE2 3.77Å; W294-Y304 HydrophobicContact CB-CD2 3.55Å; W294-Y304 HydrophobicContact CB-CE2 4.27Å; W294-Y304 HydrophobicContact CB-CG 4.17Å; W294-Y304 HydrophobicContact CG-CD2 4.2Å; R300-Y304 PolarHBondContact O-N 3.35Å; Q301-Y304 WeakPolarHBondContact O-CB 3.42Å; Q301-Y304 PolarHBondContact O-N 3.42Å; Y304-H306 VanDerWaalsContact C-N 3.29Å; Y304-H306 PolarHBondContact O-N 3.13Å; Y304-I307 PolarHBondContact O-N 3.31Å; Y304-M308 HydrophobicContact CD1-CG 4.47Å; Y304-M308 HydrophobicContact CD2-CG 4Å; Y304-M308 HydrophobicContact CE1-CG 4.1Å; Y304-M308 HydrophobicContact CE2-CG 3.63Å; Y304-M308 HydrophobicContact CE2-SD 3.79Å; Y304-M308 HydrophobicContact CG-CG 4.44Å; Y304-M308 VanDerWaalsContact O-CG 3.26Å; Y304-M308 WeakPolarHBondContact O-CG 3.37Å; Y304-M308 PolarHBondContact O-N 3.16Å
305L94.1Very high89.3Confident28 Ų2854.6 Ų54.615%0.14732%0.315CS..Hα-helixtrans-61.1-37.3178.6-73.5176.7000112.5N108 L110 V111 Q301 M308 K309N108-L305 WeakPolarHBondContact O-CD2 3.42Å; L110-L305 WeakPolarHBondContact O-CD2 3.45Å; V111-L305 HydrophobicContact CG1-CD2 3.74Å; Q301-L305 HydrophobicContact CG-CD1 4.43Å; Q301-L305 PolarHBondContact O-N 3.02Å; L305-M308 PolarHBondContact O-N 2.98Å; L305-K309 WeakPolarHBondContact O-CB 3.43Å; L305-K309 VanDerWaalsContact O-CG 3.29Å; L305-K309 WeakPolarHBondContact O-CG 3.21Å; L305-K309 PolarHBondContact O-N 3.03Å
306H95.1Very high90.4Very high127 Ų12756 Ų5659%0.58832%0.321SS*.Hα-helixtrans-64-45.4175.5-178.670.2000112.1G302 R303 Y304 K309 D310G302-H306 WeakPolarHBondContact O-CB 3.34Å; G302-H306 PolarHBondContact O-N 3.01Å; R303-H306 PolarHBondContact O-N 3.11Å; Y304-H306 VanDerWaalsContact C-N 3.29Å; Y304-H306 PolarHBondContact O-N 3.13Å; H306-K309 PolarHBondContact O-N 3.2Å; H306-D310 PolarHBondContact O-N 3.02Å
307I95.5Very high91.4Very high8 Ų855.5 Ų55.54%0.04131%0.309CS..Hα-helixtrans-60.9-46.9176.2-68.3163.8000110.5L130 Y133 W294 R303 Y304 K309 D310 I311L130-I307 HydrophobicContact CD1-CB 4.3Å; L130-I307 HydrophobicContact CD1-CG2 3.66Å; Y133-I307 HydrophobicContact CD1-CG1 4.37Å; Y133-I307 HydrophobicContact CD1-CG2 4.14Å; Y133-I307 HydrophobicContact CD2-CG2 3.98Å; Y133-I307 HydrophobicContact CG-CG2 3.64Å; W294-I307 HydrophobicContact CH2-CD1 3.94Å; W294-I307 HydrophobicContact CZ2-CD1 3.83Å; W294-I307 HydrophobicContact CZ3-CD1 4.41Å; R303-I307 HydrophobicContact CG-CD1 4.04Å; R303-I307 VanDerWaalsContact O-CG1 3.3Å; R303-I307 WeakPolarHBondContact O-CG1 3.33Å; R303-I307 PolarHBondContact O-N 2.99Å; Y304-I307 PolarHBondContact O-N 3.31Å; I307-K309 VanDerWaalsContact C-N 3.32Å; I307-K309 PolarHBondContact O-N 2.88Å; I307-D310 PolarHBondContact O-N 3.14Å; I307-I311 HydrophobicContact CG2-CD1 3.7Å; I307-I311 HydrophobicContact CG2-CG1 4.33Å; I307-I311 WeakPolarHBondContact O-CD1 3.43Å; I307-I311 VanDerWaalsContact O-CG1 3.26Å; I307-I311 WeakPolarHBondContact O-CG1 3.38Å; I307-I311 PolarHBondContact O-N 3.27Å
308M95.9Very high92.3Very high0 Ų054.4 Ų54.40%030%0.303CS..Hα-helixtrans-58.1-43.6178.1-67.7-73.5-71.800111.7I89 V111 I126 Y304 L305 V312I89-M308 HydrophobicContact CD1-CE 4.39Å; I89-M308 HydrophobicContact CD1-SD 4.17Å; I89-M308 HydrophobicContact CG1-CE 4.15Å; V111-M308 HydrophobicContact CB-CB 4.5Å; V111-M308 HydrophobicContact CG1-CB 3.69Å; V111-M308 HydrophobicContact CG2-CB 3.95Å; I126-M308 HydrophobicContact CD1-CE 3.58Å; I126-M308 HydrophobicContact CD1-SD 3.58Å; I126-M308 VanDerWaalsContact CD1-SD 3.58Å; I126-M308 HydrophobicContact CG1-CE 3.25Å; I126-M308 HydrophobicContact CG1-SD 3.56Å; I126-M308 VanDerWaalsContact CG1-SD 3.56Å; Y304-M308 HydrophobicContact CD1-CG 4.47Å; Y304-M308 HydrophobicContact CD2-CG 4Å; Y304-M308 HydrophobicContact CE1-CG 4.1Å; Y304-M308 HydrophobicContact CE2-CG 3.63Å; Y304-M308 HydrophobicContact CE2-SD 3.79Å; Y304-M308 HydrophobicContact CG-CG 4.44Å; Y304-M308 VanDerWaalsContact O-CG 3.26Å; Y304-M308 WeakPolarHBondContact O-CG 3.37Å; Y304-M308 PolarHBondContact O-N 3.16Å; L305-M308 PolarHBondContact O-N 2.98Å; M308-V312 VanDerWaalsContact O-CG2 3.29Å; M308-V312 WeakPolarHBondContact O-CG2 3.36Å; M308-V312 PolarHBondContact O-N 3.35Å; M308-V312 VanDerWaalsContact O-N 3.17Å
309K96.8Very high93.1Very high123 Ų12350.6 Ų50.654%0.53528%0.275SS..Hα-helixtrans-64-46175.9-73.6175.8-176.6-176.20112.4V111 L305 H306 I307 I311 V312 E313V111-K309 HydrophobicContact CB-CG 3.99Å; V111-K309 HydrophobicContact CG1-CG 3.73Å; L305-K309 WeakPolarHBondContact O-CB 3.43Å; L305-K309 VanDerWaalsContact O-CG 3.29Å; L305-K309 WeakPolarHBondContact O-CG 3.21Å; L305-K309 PolarHBondContact O-N 3.03Å; H306-K309 PolarHBondContact O-N 3.2Å; I307-K309 VanDerWaalsContact C-N 3.32Å; I307-K309 PolarHBondContact O-N 2.88Å; K309-I311 VanDerWaalsContact C-N 3.35Å; K309-I311 PolarHBondContact O-N 3.28Å; K309-V312 PolarHBondContact O-N 3.16Å; K309-E313 WeakPolarHBondContact O-CB 3.49Å; K309-E313 PolarHBondContact O-N 3.49Å
310D97.2Very high93.7Very high29 Ų2946.4 Ų46.416%0.15524%0.24CC..Hα-helixtrans-65.9-36.6-179.7-172.234.6000111.4Y133 H306 I307 V312 E313 K314Y133-D310 VanDerWaalsContact CE1-OD2 3.28Å; Y133-D310 WeakPolarHBondContact CE1-OD2 3.32Å; Y133-D310 VanDerWaalsContact CZ-OD2 3.23Å; Y133-D310 PolarHBondContact OH-OD2 3.09Å; H306-D310 PolarHBondContact O-N 3.02Å; I307-D310 PolarHBondContact O-N 3.14Å; D310-V312 PolarHBondContact O-N 3.4Å; D310-E313 PolarHBondContact O-N 3.49Å; D310-K314 WeakPolarHBondContact O-CB 3.41Å; D310-K314 VanDerWaalsContact O-CG 3.31Å; D310-K314 WeakPolarHBondContact O-CG 3.28Å; D310-K314 PolarHBondContact O-N 2.84Å; D310-K314 VanDerWaalsContact OD1-CE 3.3Å; D310-K314 WeakPolarHBondContact OD1-CE 3.48Å; D310-K314 IonicContact OD1-NZ 3.12Å; D310-K314 PolarHBondContact OD1-NZ 2.92Å; D310-K314 VanDerWaalsContact OD2-CE 3.28Å; D310-K314 WeakPolarHBondContact OD2-CE 3.5Å; D310-K314 IonicContact OD2-NZ 3.03Å
311I97.3Very high94.2Very high0 Ų047.2 Ų47.20%024%0.243CC..Hα-helixtrans-58.1-50.7171.7-67.9159.6000110.2I126 G129 L130 Y133 I307 K309 E313 K314 L315 L320I126-I311 HydrophobicContact CD1-CB 4.22Å; I126-I311 HydrophobicContact CD1-CD1 4.32Å; I126-I311 HydrophobicContact CD1-CG2 3.92Å; G129-I311 VanDerWaalsContact C-CD1 3.43Å; L130-I311 HydrophobicContact CB-CD1 4.29Å; L130-I311 VanDerWaalsContact N-CD1 3.29Å; Y133-I311 HydrophobicContact CD2-CD1 4.08Å; Y133-I311 HydrophobicContact CD2-CG1 3.72Å; Y133-I311 HydrophobicContact CE2-CD1 4.35Å; Y133-I311 HydrophobicContact CE2-CG1 3.49Å; Y133-I311 VanDerWaalsContact CE2-CG1 3.49Å; I307-I311 HydrophobicContact CG2-CD1 3.7Å; I307-I311 HydrophobicContact CG2-CG1 4.33Å; I307-I311 WeakPolarHBondContact O-CD1 3.43Å; I307-I311 VanDerWaalsContact O-CG1 3.26Å; I307-I311 WeakPolarHBondContact O-CG1 3.38Å; I307-I311 PolarHBondContact O-N 3.27Å; K309-I311 VanDerWaalsContact C-N 3.35Å; K309-I311 PolarHBondContact O-N 3.28Å; I311-E313 VanDerWaalsContact C-N 3.32Å; I311-E313 PolarHBondContact O-N 3.39Å; I311-K314 PolarHBondContact O-N 3.35Å; I311-L315 HydrophobicContact CG2-CD1 4.13Å; I311-L315 HydrophobicContact CG2-CG 4.46Å; I311-L315 VanDerWaalsContact O-CG 3.31Å; I311-L315 WeakPolarHBondContact O-CG 3.47Å; I311-L315 PolarHBondContact O-N 3.05Å; I311-L320 HydrophobicContact CG2-CD1 4.41Å
312V97.1Very high94.5Very high4 Ų446.9 Ų46.92%0.02424%0.243CC..Hα-helixtrans-63.5-39-178.8173.20000111.6V87 V111 P114 L117 V122 I126 M308 K309 D310 L315 S316V87-V312 HydrophobicContact CG1-CG2 3.7Å; V111-V312 HydrophobicContact CG2-CG2 4.14Å; P114-V312 HydrophobicContact CG-CG1 3.74Å; L117-V312 HydrophobicContact CD1-CG1 4.13Å; V122-V312 HydrophobicContact CG1-CG2 4.48Å; I126-V312 HydrophobicContact CD1-CG2 4.19Å; M308-V312 VanDerWaalsContact O-CG2 3.29Å; M308-V312 WeakPolarHBondContact O-CG2 3.36Å; M308-V312 PolarHBondContact O-N 3.35Å; M308-V312 VanDerWaalsContact O-N 3.17Å; K309-V312 PolarHBondContact O-N 3.16Å; D310-V312 PolarHBondContact O-N 3.4Å; V312-L315 PolarHBondContact O-N 2.99Å; V312-S316 PolarHBondContact O-N 3.37Å
313E96Very high94.5Very high118 Ų11845.9 Ų45.955%0.55122%0.223SC*.Hα-helixtrans-63.1-45.2173.4-175.3176.8173.800111.6K309 D310 I311 L315 S316 T317K309-E313 WeakPolarHBondContact O-CB 3.49Å; K309-E313 PolarHBondContact O-N 3.49Å; D310-E313 PolarHBondContact O-N 3.49Å; I311-E313 VanDerWaalsContact C-N 3.32Å; I311-E313 PolarHBondContact O-N 3.39Å; E313-L315 VanDerWaalsContact C-N 3.32Å; E313-L315 PolarHBondContact O-N 3.27Å; E313-S316 WeakPolarHBondContact O-CB 3.33Å; E313-S316 PolarHBondContact O-N 3.27Å; E313-S316 PolarHBondContact O-OG 3.36Å; E313-T317 PolarHBondContact O-N 2.85Å; E313-T317 PolarHBondContact O-OG1 2.9Å
314K95.7Very high94.6Very high13 Ų1342.3 Ų42.36%0.05721%0.212CC..Hα-helixtrans-67.2-30.8177.3-71.7-169.1-162.8-39.20113.3Y133 L164 Y167 D310 I311 T317 G318 T319 L320Y133-K314 VanDerWaalsContact OH-CD 3.29Å; Y133-K314 WeakPolarHBondContact OH-CD 3.31Å; Y133-K314 WeakPolarHBondContact OH-CE 3.34Å; L164-K314 HydrophobicContact CD1-CD 4.11Å; Y167-K314 VanDerWaalsContact CE1-NZ 3.32Å; D310-K314 WeakPolarHBondContact O-CB 3.41Å; D310-K314 VanDerWaalsContact O-CG 3.31Å; D310-K314 WeakPolarHBondContact O-CG 3.28Å; D310-K314 PolarHBondContact O-N 2.84Å; D310-K314 VanDerWaalsContact OD1-CE 3.3Å; D310-K314 WeakPolarHBondContact OD1-CE 3.48Å; D310-K314 IonicContact OD1-NZ 3.12Å; D310-K314 PolarHBondContact OD1-NZ 2.92Å; D310-K314 VanDerWaalsContact OD2-CE 3.28Å; D310-K314 WeakPolarHBondContact OD2-CE 3.5Å; D310-K314 IonicContact OD2-NZ 3.03Å; I311-K314 PolarHBondContact O-N 3.35Å; K314-T317 WeakPolarHBondContact CA-OG1 3.24Å; K314-T317 PolarHBondContact O-OG1 3.31Å; K314-G318 CarbonylContact O-C 3.59Å; K314-G318 PolarHBondContact O-N 3.18Å; K314-T319 HydrophobicContact CB-CG2 4.32Å; K314-T319 HydrophobicContact CD-CG2 4.06Å; K314-T319 HydrophobicContact CG-CG2 4.25Å; K314-T319 WeakPolarHBondContact O-CB 3.44Å; K314-T319 PolarHBondContact O-N 2.78Å; K314-L320 HydrophobicContact CB-CB 4.28Å; K314-L320 HydrophobicContact CB-CD1 3.88Å; K314-L320 HydrophobicContact CB-CG 3.79Å; K314-L320 HydrophobicContact CD-CD1 4.41Å; K314-L320 HydrophobicContact CD-CG 4.41Å; K314-L320 PolarHBondContact O-N 2.83Å
315L95.6Very high94.5Very high12 Ų1245 Ų456%0.06323%0.225CC..Hα-helixtrans-63.8-45.2167.6-68.3169.5000110.3L117 V122 A125 I311 V312 E313 T317 G318 L320 P322L117-L315 HydrophobicContact CD1-CB 3.81Å; L117-L315 HydrophobicContact CD2-CB 4.14Å; V122-L315 HydrophobicContact CG2-CD1 4.36Å; A125-L315 HydrophobicContact CB-CD1 3.7Å; A125-L315 HydrophobicContact CB-CD2 3.68Å; A125-L315 HydrophobicContact CB-CG 4.27Å; I311-L315 HydrophobicContact CG2-CD1 4.13Å; I311-L315 HydrophobicContact CG2-CG 4.46Å; I311-L315 VanDerWaalsContact O-CG 3.31Å; I311-L315 WeakPolarHBondContact O-CG 3.47Å; I311-L315 PolarHBondContact O-N 3.05Å; V312-L315 PolarHBondContact O-N 2.99Å; E313-L315 VanDerWaalsContact C-N 3.32Å; E313-L315 PolarHBondContact O-N 3.27Å; L315-T317 VanDerWaalsContact C-N 3.33Å; L315-T317 PolarHBondContact O-N 2.8Å; L315-G318 WeakPolarHBondContact O-CA 3.26Å; L315-G318 PolarHBondContact O-N 3.22Å; L315-L320 HydrophobicContact CD2-CB 3.95Å; L315-L320 WeakPolarHBondContact CD2-O 3.45Å; L315-L320 HydrophobicContact CG-CB 4.46Å; L315-P322 HydrophobicContact CD2-CG 4.46Å
316S93.9Very high94.4Very high60 Ų6050.3 Ų50.342%0.4225%0.254SS..Hα-helixtrans-64.7-34.7-177.579.90000113.6V312 E313 G318V312-S316 PolarHBondContact O-N 3.37Å; E313-S316 WeakPolarHBondContact O-CB 3.33Å; E313-S316 PolarHBondContact O-N 3.27Å; E313-S316 PolarHBondContact O-OG 3.36Å; S316-G318 VanDerWaalsContact C-N 3.25Å
317T92.3Very high94.3Very high77 Ų7747 Ų4747%0.47224%0.243SC..THydrogen-bonded Turntrans-81.1-7.7174.557.90000112.6E313 K314 L315 T319E313-T317 PolarHBondContact O-N 2.85Å; E313-T317 PolarHBondContact O-OG1 2.9Å; K314-T317 WeakPolarHBondContact CA-OG1 3.24Å; K314-T317 PolarHBondContact O-OG1 3.31Å; L315-T317 VanDerWaalsContact C-N 3.33Å; L315-T317 PolarHBondContact O-N 2.8Å; T317-T319 PolarHBondContact O-N 3.09Å; T317-T319 PolarHBondContact OG1-OG1 3.39Å
318G91.4Very high94.2Very high12 Ų1247.8 Ų47.812%0.12425%0.248CC..THydrogen-bonded Turntrans73.210-175.100000114.1S191 K314 L315 S316 L320 R321S191-G318 WeakPolarHBondContact CB-O 3.27Å; S191-G318 VanDerWaalsContact OG-C 3.29Å; S191-G318 PolarHBondContact OG-O 3.14Å; K314-G318 CarbonylContact O-C 3.59Å; K314-G318 PolarHBondContact O-N 3.18Å; L315-G318 WeakPolarHBondContact O-CA 3.26Å; L315-G318 PolarHBondContact O-N 3.22Å; S316-G318 VanDerWaalsContact C-N 3.25Å; G318-L320 VanDerWaalsContact C-N 3.33Å; G318-R321 PolarHBondContact O-NE 2.81Å
319T92.5Very high94Very high30 Ų3049.8 Ų49.818%0.18426%0.261CS..SBendtrans-62.3-41.9174.5-61.20000111.1Q163 Y167 K314 T317Q163-T319 PolarHBondContact OE1-O 3.41Å; Y167-T319 HydrophobicContact CD2-CG2 3.27Å; Y167-T319 HydrophobicContact CE2-CG2 3.81Å; Y167-T319 HydrophobicContact CG-CG2 3.68Å; K314-T319 HydrophobicContact CB-CG2 4.32Å; K314-T319 HydrophobicContact CD-CG2 4.06Å; K314-T319 HydrophobicContact CG-CG2 4.25Å; K314-T319 WeakPolarHBondContact O-CB 3.44Å; K314-T319 PolarHBondContact O-N 2.78Å; T317-T319 PolarHBondContact O-N 3.09Å; T317-T319 PolarHBondContact OG1-OG1 3.39Å
320L94.8Very high93.6Very high4 Ų445.7 Ų45.72%0.02125%0.245CC..SBendtrans-104.1132.7170-66.9179.5000109.1L160 Q163 L164 I311 K314 L315 G318L160-L320 HydrophobicContact CD2-CB 4.19Å; L160-L320 HydrophobicContact CD2-CD2 4.23Å; Q163-L320 HydrophobicContact CB-CD2 3.76Å; L164-L320 HydrophobicContact CB-CD2 4.28Å; I311-L320 HydrophobicContact CG2-CD1 4.41Å; K314-L320 HydrophobicContact CB-CB 4.28Å; K314-L320 HydrophobicContact CB-CD1 3.88Å; K314-L320 HydrophobicContact CB-CG 3.79Å; K314-L320 HydrophobicContact CD-CD1 4.41Å; K314-L320 HydrophobicContact CD-CG 4.41Å; K314-L320 PolarHBondContact O-N 2.83Å; L315-L320 HydrophobicContact CD2-CB 3.95Å; L315-L320 WeakPolarHBondContact CD2-O 3.45Å; L315-L320 HydrophobicContact CG-CB 4.46Å; G318-L320 VanDerWaalsContact C-N 3.33Å
321R93.9Very high93.2Very high141 Ų14152.4 Ų52.453%0.53227%0.27SS..  trans-131.6109.3173.8-66.2-176.2176.8-173.2-2.9108.5Q163 G318Q163-R321 PolarHBondContact NE2-O 3.44Å; G318-R321 PolarHBondContact O-NE 2.81Å
322P93.4Very high92.9Very high25 Ų2555.7 Ų55.716%0.16229%0.287CS..  trans-71.6152.6177.333.1-37.1000110.1E121 A125 L315 L324E121-P322 HydrophobicContact CB-CG 4.5Å; A125-P322 HydrophobicContact CB-CB 3.9Å; A125-P322 HydrophobicContact CB-CG 3.98Å; L315-P322 HydrophobicContact CD2-CG 4.46Å; P322-L324 HydrophobicContact CB-CD2 3.79Å; P322-L324 HydrophobicContact CB-CG 4.29Å; P322-L324 HydrophobicContact CG-CD1 4.23Å; P322-L324 HydrophobicContact CG-CD2 4Å; P322-L324 HydrophobicContact CG-CG 4.14Å
323Q91.2Very high92.7Very high37 Ų3755.5 Ų55.517%0.17329%0.286CS..  trans-97111.4172.4-167.5-177.58.700109A154 F184 K347 R348A154-Q323 PolarHBondContact O-OE1 3.25Å; F184-Q323 VanDerWaalsContact CE1-OE1 3.31Å; F184-Q323 VanDerWaalsContact CZ-CD 3.45Å; F184-Q323 HydrophobicContact CZ-CG 4.27Å; F184-Q323 VanDerWaalsContact CZ-OE1 3.3Å; Q323-K347 HydrophobicContact CG-CB 4.23Å; Q323-K347 HydrophobicContact CG-CD 3.79Å; Q323-K347 HydrophobicContact CG-CG 3.76Å; Q323-R348 WeakPolarHBondContact O-CB 3.34Å; Q323-R348 PolarHBondContact O-N 3.15Å
324L92.8Very high92.6Very high36 Ų3651.4 Ų51.419%0.18827%0.269CS..BIsolated β-bridgetrans-115.2149-173.8-46.9175.1000110.2V120 E121 P322 K347 R348 V350V120-L324 HydrophobicContact CG1-CD1 3.96Å; E121-L324 HydrophobicContact CB-CD1 4.44Å; E121-L324 HydrophobicContact CG-CD1 4.04Å; P322-L324 HydrophobicContact CB-CD2 3.79Å; P322-L324 HydrophobicContact CB-CG 4.29Å; P322-L324 HydrophobicContact CG-CD1 4.23Å; P322-L324 HydrophobicContact CG-CD2 4Å; P322-L324 HydrophobicContact CG-CG 4.14Å; L324-K347 WeakPolarHBondContact O-CD 3.48Å; L324-R348 WeakPolarHBondContact CA-O 3.21Å; L324-R348 HydrophobicContact CD2-CB 3.8Å; L324-R348 HydrophobicContact CD2-CG 4.2Å; L324-V350 HydrophobicContact CD2-CG2 4.34Å
325E91.7Very high92.4Very high61 Ų6154.9 Ų54.929%0.28529%0.291SS..PPolyproline II helixtrans-77.7171.5155.8-66-53.1163.100110.5V345 K347 R348 L349E325-V345 HydrophobicContact CG-CG1 4.22Å; E325-K347 HydrophobicContact CG-CB 3.92Å; E325-K347 HydrophobicContact CG-CD 4.48Å; E325-K347 WeakPolarHBondContact OE1-CB 3.32Å; E325-K347 VanDerWaalsContact OE1-CD 3.28Å; E325-K347 WeakPolarHBondContact OE1-CD 3.48Å; E325-K347 VanDerWaalsContact OE1-CG 3.29Å; E325-K347 WeakPolarHBondContact OE1-CG 3.49Å; E325-K347 IonicContact OE1-NZ 3.35Å; E325-K347 IonicContact OE2-NZ 3.79Å; E325-K347 PolarHBondContact OE2-NZ 3.02Å; E325-K347 VanDerWaalsContact OE2-NZ 3.1Å; E325-R348 PolarHBondContact N-O 3.13Å; E325-L349 HydrophobicContact CB-CD2 3.69Å; E325-L349 HydrophobicContact CB-CG 4.29Å; E325-L349 HydrophobicContact CG-CD2 4Å; E325-L349 HydrophobicContact CG-CG 4.2Å
326D91.8Very high92.3Very high140 Ų14054.9 Ų54.975%0.74929%0.292SS*.PPolyproline II helixtrans-58.3138.5171.8-70.6-39.5000110.8V328D326-V328 PolarHBondContact O-N 3.5Å
327P92.5Very high92.3Very high57 Ų5752 Ų5237%0.3727%0.272SS..PPolyproline II helixtrans-60.1135-179.9-18.929.3000111.4V120 Q352V120-P327 HydrophobicContact CB-CG 4.38Å; V120-P327 HydrophobicContact CG1-CB 4.3Å; V120-P327 HydrophobicContact CG1-CG 3.83Å; V120-P327 HydrophobicContact CG2-CB 4.06Å; V120-P327 HydrophobicContact CG2-CG 3.85Å; P327-Q352 HydrophobicContact CB-CB 4.13Å
328V93.7Very high92.3Very high24 Ų2452 Ų5215%0.14527%0.267CS..EExtended strand (participates in β ladder)trans-106.3139-178.4-1790000109.6D326 D332 L349 V350 I351 Q352D326-V328 PolarHBondContact O-N 3.5Å; V328-D332 HydrophobicContact CG1-CB 3.46Å; V328-D332 VanDerWaalsContact CG1-CB 3.46Å; V328-L349 HydrophobicContact CG2-CD2 3.93Å; V328-V350 PolarHBondContact N-O 3.04Å; V328-I351 HydrophobicContact CB-CD1 3.81Å; V328-I351 HydrophobicContact CG1-CD1 4.09Å; V328-I351 CarbonylContact O-C 3.6Å; V328-I351 VanDerWaalsContact O-CA 3.23Å; V328-I351 WeakPolarHBondContact O-CA 3.46Å; V328-Q352 PolarHBondContact O-N 3.41Å
329P92Very high92.3Very high43 Ų4355.1 Ų55.128%0.27928%0.279SS..EExtended strand (participates in β ladder)trans-73.1157.4175.329.4-34.4000112.5Y331 D332P329-Y331 HydrophobicContact CB-CD1 3.78Å; P329-Y331 HydrophobicContact CB-CE1 3.41Å; P329-Y331 VanDerWaalsContact CB-CE1 3.41Å; P329-Y331 HydrophobicContact CG-CD1 3.93Å; P329-Y331 HydrophobicContact CG-CD2 4.44Å; P329-Y331 HydrophobicContact CG-CE1 3.28Å; P329-Y331 HydrophobicContact CG-CE2 3.86Å; P329-Y331 HydrophobicContact CG-CG 4.47Å; P329-Y331 VanDerWaalsContact CG-OH 3.32Å; P329-Y331 WeakPolarHBondContact CG-OH 3.33Å; P329-Y331 PolarHBondContact O-N 2.74Å; P329-Y331 VanDerWaalsContact O-N 3.1Å; P329-D332 PolarHBondContact O-N 2.89Å; P329-D332 VanDerWaalsContact O-N 3.08Å
330L88.9Confident92.3Very high37 Ų3754.5 Ų54.519%0.19428%0.275CS..G310 helixtrans-55.9-31.6-175.8-176.163.3000114.6L99 D332 A333 I351 L353L99-L330 HydrophobicContact CB-CD1 4.16Å; L330-D332 PolarHBondContact O-N 3.46Å; L330-A333 HydrophobicContact CD1-CB 4.23Å; L330-A333 WeakPolarHBondContact O-CB 3.34Å; L330-A333 PolarHBondContact O-N 3.16Å; L330-I351 HydrophobicContact CB-CG2 4.23Å; L330-I351 HydrophobicContact CD1-CG2 4.14Å; L330-L353 HydrophobicContact CD2-CD2 4.2Å
331Y87.9Confident92.1Very high170 Ų17056.9 Ų56.967%0.66729%0.286SS*.G310 helixtrans-69-22.7-178.363-102.5000113.5P329P329-Y331 HydrophobicContact CB-CD1 3.78Å; P329-Y331 HydrophobicContact CB-CE1 3.41Å; P329-Y331 VanDerWaalsContact CB-CE1 3.41Å; P329-Y331 HydrophobicContact CG-CD1 3.93Å; P329-Y331 HydrophobicContact CG-CD2 4.44Å; P329-Y331 HydrophobicContact CG-CE1 3.28Å; P329-Y331 HydrophobicContact CG-CE2 3.86Å; P329-Y331 HydrophobicContact CG-CG 4.47Å; P329-Y331 VanDerWaalsContact CG-OH 3.32Å; P329-Y331 WeakPolarHBondContact CG-OH 3.33Å; P329-Y331 PolarHBondContact O-N 2.74Å; P329-Y331 VanDerWaalsContact O-N 3.1Å
332D92.8Very high91.8Very high69 Ų6956.4 Ų56.437%0.36929%0.288SS..G310 helixtrans-94.6-3175.9-74.1-24.1000112.4V328 P329 L330 T334 V335 S336V328-D332 HydrophobicContact CG1-CB 3.46Å; V328-D332 VanDerWaalsContact CG1-CB 3.46Å; P329-D332 PolarHBondContact O-N 2.89Å; P329-D332 VanDerWaalsContact O-N 3.08Å; L330-D332 PolarHBondContact O-N 3.46Å; D332-T334 PolarHBondContact O-N 3.02Å; D332-T334 VanDerWaalsContact O-N 3.11Å; D332-V335 PolarHBondContact O-N 3.27Å; D332-V335 VanDerWaalsContact O-N 3.09Å; D332-S336 PolarHBondContact O-N 3.37Å; D332-S336 VanDerWaalsContact O-N 3.15Å; D332-S336 PolarHBondContact O-OG 3.05Å
333A91.8Very high91.3Very high0 Ų063.8 Ų63.80%032%0.317CS..Hα-helixtrans-59.1-30.4-173.700000113.5L4 L330 M337 I351L4-A333 HydrophobicContact CD2-CB 4.06Å; L330-A333 HydrophobicContact CD1-CB 4.23Å; L330-A333 WeakPolarHBondContact O-CB 3.34Å; L330-A333 PolarHBondContact O-N 3.16Å; A333-M337 WeakPolarHBondContact O-CB 3.27Å; A333-M337 PolarHBondContact O-N 2.99Å; A333-I351 HydrophobicContact CB-CD1 3.82Å; A333-I351 HydrophobicContact CB-CG1 3.94Å; A333-I351 HydrophobicContact CB-CG2 4.47Å
334T93.5Very high91Very high32 Ų3268.2 Ų68.220%0.19634%0.338CS..Hα-helixtrans-60.2-50.3176-50.20000111.3F17 D332 M337 E338F17-T334 HydrophobicContact CB-CG2 3.85Å; F17-T334 WeakPolarHBondContact O-CG2 3.32Å; D332-T334 PolarHBondContact O-N 3.02Å; D332-T334 VanDerWaalsContact O-N 3.11Å; T334-M337 PolarHBondContact O-N 2.74Å; T334-E338 WeakPolarHBondContact O-CG 3.45Å; T334-E338 PolarHBondContact O-N 2.62Å
335V92.8Very high90.6Very high86 Ų8668 Ų6852%0.52134%0.338SS..Hα-helixtrans-67.6-44.4-178.4-179.90000110.1D332 M337 E338 M339D332-V335 PolarHBondContact O-N 3.27Å; D332-V335 VanDerWaalsContact O-N 3.09Å; V335-M337 VanDerWaalsContact C-N 3.31Å; V335-M337 PolarHBondContact O-N 3.21Å; V335-E338 WeakPolarHBondContact O-CB 3.34Å; V335-E338 PolarHBondContact O-N 3.26Å; V335-M339 WeakPolarHBondContact O-CG 3.31Å; V335-M339 PolarHBondContact O-N 2.84Å; V335-M339 VanDerWaalsContact O-N 3.1Å
336S93.4Very high90.3Very high11 Ų1169.4 Ų69.48%0.07734%0.341CS..Hα-helixtrans-60.1-41.3176.4-59.70000112.1D332 M339 V340D332-S336 PolarHBondContact O-N 3.37Å; D332-S336 VanDerWaalsContact O-N 3.15Å; D332-S336 PolarHBondContact O-OG 3.05Å; S336-M339 PolarHBondContact O-N 2.86Å; S336-V340 WeakPolarHBondContact O-CG2 3.32Å; S336-V340 PolarHBondContact O-N 3.35Å
337M93.7Very high90.2Very high0 Ų066 Ų660%032%0.319CS..Hα-helixtrans-67.5-36.6178.5-172.461.9-138.400112.1L4 F17 L42 S43 L45 V62 A333 T334 V335 M339 V340 Q341L4-M337 HydrophobicContact CD2-CB 4.06Å; L4-M337 HydrophobicContact CD2-CG 4.41Å; F17-M337 HydrophobicContact CD1-CB 4.28Å; F17-M337 HydrophobicContact CD1-CG 3.51Å; F17-M337 HydrophobicContact CD2-CB 4.41Å; F17-M337 HydrophobicContact CD2-CG 4.14Å; F17-M337 HydrophobicContact CE1-CB 4.42Å; F17-M337 HydrophobicContact CE1-CE 3.97Å; F17-M337 HydrophobicContact CE1-CG 3.28Å; F17-M337 HydrophobicContact CE1-SD 4.37Å; F17-M337 HydrophobicContact CE2-CG 3.95Å; F17-M337 HydrophobicContact CG-CB 4.26Å; F17-M337 HydrophobicContact CG-CG 3.93Å; F17-M337 HydrophobicContact CZ-CE 3.83Å; F17-M337 HydrophobicContact CZ-CG 3.53Å; L42-M337 HydrophobicContact CB-SD 4.37Å; L42-M337 HydrophobicContact CD1-CB 4.46Å; L42-M337 HydrophobicContact CD2-SD 4.19Å; S43-M337 WeakPolarHBondContact O-CE 3.5Å; L45-M337 HydrophobicContact CG-CE 4.44Å; V62-M337 HydrophobicContact CG1-CG 3.83Å; V62-M337 HydrophobicContact CG1-SD 3.55Å; V62-M337 VanDerWaalsContact CG1-SD 3.55Å; A333-M337 WeakPolarHBondContact O-CB 3.27Å; A333-M337 PolarHBondContact O-N 2.99Å; T334-M337 PolarHBondContact O-N 2.74Å; V335-M337 VanDerWaalsContact C-N 3.31Å; V335-M337 PolarHBondContact O-N 3.21Å; M337-M339 VanDerWaalsContact C-N 3.35Å; M337-M339 PolarHBondContact O-N 3.06Å; M337-V340 HydrophobicContact CE-CB 4.46Å; M337-V340 HydrophobicContact CE-CG1 4.19Å; M337-V340 PolarHBondContact O-N 3.5Å; M337-V340 HydrophobicContact SD-CB 4.49Å; M337-V340 HydrophobicContact SD-CG1 4.5Å; M337-Q341 HydrophobicContact CE-CB 4.3Å; M337-Q341 WeakPolarHBondContact O-CB 3.35Å; M337-Q341 PolarHBondContact O-N 3.03Å
338E92.2Very high90.2Very high78 Ų7864 Ų6436%0.36430%0.304SS..Hα-helixtrans-61.2-42.7172.5-73.3179.9-170.100112.3F17 T334 V335 Q341 K342F17-E338 HydrophobicContact CD2-CG 3.67Å; F17-E338 HydrophobicContact CE2-CG 4.17Å; T334-E338 WeakPolarHBondContact O-CG 3.45Å; T334-E338 PolarHBondContact O-N 2.62Å; V335-E338 WeakPolarHBondContact O-CB 3.34Å; V335-E338 PolarHBondContact O-N 3.26Å; E338-Q341 PolarHBondContact O-N 3.05Å; E338-K342 WeakPolarHBondContact O-CB 3.06Å; E338-K342 WeakPolarHBondContact O-CG 3.28Å; E338-K342 PolarHBondContact O-N 3.46Å
339M91.6Very high90.3Very high77 Ų7763.5 Ų63.538%0.37930%0.301SS..Hα-helixtrans-63.6-41.7176.2-65.1174.467.900111.5V335 S336 M337 K342 K343 Q344 V345V335-M339 WeakPolarHBondContact O-CG 3.31Å; V335-M339 PolarHBondContact O-N 2.84Å; V335-M339 VanDerWaalsContact O-N 3.1Å; S336-M339 PolarHBondContact O-N 2.86Å; M337-M339 VanDerWaalsContact C-N 3.35Å; M337-M339 PolarHBondContact O-N 3.06Å; M339-K342 PolarHBondContact O-N 2.71Å; M339-K343 PolarHBondContact O-N 2.85Å; M339-Q344 PolarHBondContact O-N 2.95Å; M339-V345 HydrophobicContact CB-CG2 3.63Å; M339-V345 HydrophobicContact CE-CG2 4.19Å
340V91.6Very high90.5Very high16 Ų1661.5 Ų61.510%0.09729%0.288CS..Hα-helixtrans-63.7-46.1176.11700000111L42 P44 S336 M337 K342 K343 V345 L349L42-V340 HydrophobicContact CB-CG1 4.39Å; L42-V340 HydrophobicContact CB-CG2 3.92Å; L42-V340 HydrophobicContact CD1-CG2 4.2Å; P44-V340 HydrophobicContact CG-CG1 3.86Å; S336-V340 WeakPolarHBondContact O-CG2 3.32Å; S336-V340 PolarHBondContact O-N 3.35Å; M337-V340 HydrophobicContact CE-CB 4.46Å; M337-V340 HydrophobicContact CE-CG1 4.19Å; M337-V340 PolarHBondContact O-N 3.5Å; M337-V340 HydrophobicContact SD-CB 4.49Å; M337-V340 HydrophobicContact SD-CG1 4.5Å; V340-K342 VanDerWaalsContact C-N 3.29Å; V340-K342 PolarHBondContact O-N 3.47Å; V340-K343 PolarHBondContact O-N 2.75Å; V340-V345 HydrophobicContact CG2-CG2 4.33Å; V340-L349 HydrophobicContact CG2-CB 4.33Å; V340-L349 HydrophobicContact CG2-CD1 3.73Å
341Q90.7Very high90.9Very high55 Ų5559.7 Ų59.726%0.25728%0.278SS..Hα-helixtrans-62.4-37.3179.1-168.36529.500111.8F17 L45 M337 E338 K343F17-Q341 HydrophobicContact CE2-CB 4.06Å; F17-Q341 HydrophobicContact CE2-CG 4.39Å; F17-Q341 HydrophobicContact CZ-CB 4Å; F17-Q341 HydrophobicContact CZ-CG 4.15Å; L45-Q341 PolarHBondContact O-NE2 3.15Å; L45-Q341 VanDerWaalsContact O-NE2 3.16Å; M337-Q341 HydrophobicContact CE-CB 4.3Å; M337-Q341 WeakPolarHBondContact O-CB 3.35Å; M337-Q341 PolarHBondContact O-N 3.03Å; E338-Q341 PolarHBondContact O-N 3.05Å; Q341-K343 PolarHBondContact O-N 2.94Å
342K87.9Confident91.2Very high131 Ų13156.2 Ų56.257%0.5727%0.268SS*.THydrogen-bonded Turntrans-79.12.7175.7-68.5172.8-177.9166.60113.8E338 M339 V340 Q344E338-K342 WeakPolarHBondContact O-CB 3.06Å; E338-K342 WeakPolarHBondContact O-CG 3.28Å; E338-K342 PolarHBondContact O-N 3.46Å; M339-K342 PolarHBondContact O-N 2.71Å; V340-K342 VanDerWaalsContact C-N 3.29Å; V340-K342 PolarHBondContact O-N 3.47Å; K342-Q344 HydrophobicContact CB-CG 3.88Å; K342-Q344 PolarHBondContact O-N 3.04Å
343K84Confident91.1Very high180 Ų18056.8 Ų56.878%0.78327%0.271SS*.THydrogen-bonded Turntrans54.733.5-176.5-57-178.4178.6-179.50113.5M339 V340 Q341 V345M339-K343 PolarHBondContact O-N 2.85Å; V340-K343 PolarHBondContact O-N 2.75Å; Q341-K343 PolarHBondContact O-N 2.94Å; K343-V345 VanDerWaalsContact C-N 3.3Å
344Q83.2Confident91Very high129 Ų12959.6 Ų59.660%0.60328%0.284SS*.  trans-87.41.3-179.7-68.7179.1-19.500113.4M339 K342M339-Q344 PolarHBondContact O-N 2.95Å; K342-Q344 HydrophobicContact CB-CG 3.88Å; K342-Q344 PolarHBondContact O-N 3.04Å
345V85Confident90.9Very high31 Ų3161.1 Ų61.119%0.18829%0.289CS..  trans-119128.7-175.1-168.60000108.8E325 M339 V340 K343 K347 L349E325-V345 HydrophobicContact CG-CG1 4.22Å; M339-V345 HydrophobicContact CB-CG2 3.63Å; M339-V345 HydrophobicContact CE-CG2 4.19Å; V340-V345 HydrophobicContact CG2-CG2 4.33Å; K343-V345 VanDerWaalsContact C-N 3.3Å; V345-K347 WeakPolarHBondContact CG1-O 3.43Å; V345-L349 HydrophobicContact CB-CD1 4.16Å; V345-L349 HydrophobicContact CG1-CD1 3.67Å; V345-L349 HydrophobicContact CG1-CG 3.92Å; V345-L349 HydrophobicContact CG2-CD1 3.67Å
346R85.1Confident90.8Very high91 Ų9159.7 Ų59.734%0.34328%0.276SS..SBendtrans-90.1-36.7-179.2-66.5-66.3-70.1157.8-3.9112.8D152 P156 D181D152-R346 IonicContact OD1-CZ 3.59Å; D152-R346 IonicContact OD1-NH1 3.66Å; D152-R346 PolarHBondContact OD1-NH1 2.9Å; D152-R346 IonicContact OD1-NH2 2.8Å; D152-R346 PolarHBondContact OD1-NH2 3.5Å; D152-R346 IonicContact OD2-CZ 3.4Å; D152-R346 IonicContact OD2-NH1 3.2Å; D152-R346 PolarHBondContact OD2-NH1 3.02Å; D152-R346 IonicContact OD2-NH2 2.7Å; P156-R346 WeakPolarHBondContact CD-O 3.49Å; D181-R346 IonicContact OD1-CZ 3.86Å; D181-R346 IonicContact OD1-NE 2.92Å; D181-R346 IonicContact OD1-NH2 3.88Å; D181-R346 PolarHBondContact OD1-NH2 2.93Å; D181-R346 IonicContact OD2-CZ 3.06Å; D181-R346 IonicContact OD2-NE 3.91Å; D181-R346 IonicContact OD2-NH2 2.62Å; D181-R346 PolarHBondContact OD2-NH2 3.42Å
347K90.1Very high90.7Very high69 Ų6962.5 Ų62.530%0.329%0.287SS..SBendtrans-94.6167.4176.8-48.6-179.7-159.4142.40111.3Q323 L324 E325 V345 L349Q323-K347 HydrophobicContact CG-CB 4.23Å; Q323-K347 HydrophobicContact CG-CD 3.79Å; Q323-K347 HydrophobicContact CG-CG 3.76Å; L324-K347 WeakPolarHBondContact O-CD 3.48Å; E325-K347 HydrophobicContact CG-CB 3.92Å; E325-K347 HydrophobicContact CG-CD 4.48Å; E325-K347 WeakPolarHBondContact OE1-CB 3.32Å; E325-K347 VanDerWaalsContact OE1-CD 3.28Å; E325-K347 WeakPolarHBondContact OE1-CD 3.48Å; E325-K347 VanDerWaalsContact OE1-CG 3.29Å; E325-K347 WeakPolarHBondContact OE1-CG 3.49Å; E325-K347 IonicContact OE1-NZ 3.35Å; E325-K347 IonicContact OE2-NZ 3.79Å; E325-K347 PolarHBondContact OE2-NZ 3.02Å; E325-K347 VanDerWaalsContact OE2-NZ 3.1Å; V345-K347 WeakPolarHBondContact CG1-O 3.43Å; K347-L349 PolarHBondContact O-N 2.69Å
348R93Very high90.5Very high15 Ų1566.4 Ų66.46%0.05731%0.305CS..BIsolated β-bridgetrans-72.9125.2177.8-168.473.1170.1-163.4-3.1110.5S43 E65 G124 D128 P156 Q323 L324 E325 V350S43-R348 PolarHBondContact OG-NH2 3.13Å; E65-R348 VanDerWaalsContact CD-NH2 3.31Å; E65-R348 IonicContact OE1-NH2 3.43Å; E65-R348 IonicContact OE2-CZ 2.8Å; E65-R348 IonicContact OE2-NH2 3.43Å; E65-R348 PolarHBondContact OE2-NH2 3.31Å; G124-R348 WeakPolarHBondContact O-CG 3.25Å; D128-R348 IonicContact OD1-NH1 3.31Å; D128-R348 IonicContact OD2-CZ 3.1Å; D128-R348 IonicContact OD2-NE 3.94Å; D128-R348 IonicContact OD2-NH1 3.59Å; D128-R348 PolarHBondContact OD2-NH1 3.29Å; P156-R348 HydrophobicContact CB-CB 4.35Å; P156-R348 HydrophobicContact CG-CB 4.25Å; Q323-R348 WeakPolarHBondContact O-CB 3.34Å; Q323-R348 PolarHBondContact O-N 3.15Å; L324-R348 WeakPolarHBondContact CA-O 3.21Å; L324-R348 HydrophobicContact CD2-CB 3.8Å; L324-R348 HydrophobicContact CD2-CG 4.2Å; E325-R348 PolarHBondContact N-O 3.13Å; R348-V350 HydrophobicContact CG-CG2 4.33Å
349L95Very high90.3Very high14 Ų1465.7 Ų65.77%0.07330%0.301CS..PPolyproline II helixtrans-89.5138.7169.1-82.5163000110.8L42 E325 V328 V340 V345 K347L42-L349 HydrophobicContact CB-CB 4.34Å; L42-L349 HydrophobicContact CD1-CB 4.14Å; L42-L349 HydrophobicContact CG-CB 4.43Å; L42-L349 PolarHBondContact N-O 3.01Å; E325-L349 HydrophobicContact CB-CD2 3.69Å; E325-L349 HydrophobicContact CB-CG 4.29Å; E325-L349 HydrophobicContact CG-CD2 4Å; E325-L349 HydrophobicContact CG-CG 4.2Å; V328-L349 HydrophobicContact CG2-CD2 3.93Å; V340-L349 HydrophobicContact CG2-CB 4.33Å; V340-L349 HydrophobicContact CG2-CD1 3.73Å; V345-L349 HydrophobicContact CB-CD1 4.16Å; V345-L349 HydrophobicContact CG1-CD1 3.67Å; V345-L349 HydrophobicContact CG1-CG 3.92Å; V345-L349 HydrophobicContact CG2-CD1 3.67Å; K347-L349 PolarHBondContact O-N 2.69Å
350V96.5Very high90.3Very high0 Ų064.9 Ų64.90%030%0.296CS..EExtended strand (participates in β ladder)trans-133.1130.7179.1-178.30000108.9A39 A41 V120 A123 L324 V328 R348A39-V350 HydrophobicContact CB-CG1 4.01Å; A41-V350 HydrophobicContact CB-CG2 4.07Å; V120-V350 HydrophobicContact CB-CG1 4.25Å; V120-V350 HydrophobicContact CG1-CB 3.65Å; V120-V350 HydrophobicContact CG1-CG1 3.75Å; V120-V350 HydrophobicContact CG1-CG2 4.02Å; V120-V350 HydrophobicContact CG2-CG1 4.48Å; A123-V350 HydrophobicContact CB-CG1 3.87Å; L324-V350 HydrophobicContact CD2-CG2 4.34Å; V328-V350 PolarHBondContact N-O 3.04Å; R348-V350 HydrophobicContact CG-CG2 4.33Å
351I96.3Very high90.2Very high0 Ų068.6 Ų68.60%031%0.311CS..EExtended strand (participates in β ladder)trans-87.7129.7172.8-56.9-52.3000108.8A39 C40 L42 L99 V328 L330 A333 L353A39-I351 CarbonylContact C-O 3.51Å; A39-I351 VanDerWaalsContact CA-O 3.23Å; A39-I351 WeakPolarHBondContact CA-O 3.47Å; C40-I351 PolarHBondContact N-O 3.01Å; C40-I351 PolarHBondContact O-N 2.94Å; L42-I351 HydrophobicContact CD1-CD1 4.05Å; L42-I351 HydrophobicContact CD1-CG1 4.21Å; L42-I351 HydrophobicContact CD2-CG1 3.8Å; L42-I351 HydrophobicContact CG-CD1 4.37Å; L42-I351 HydrophobicContact CG-CG1 4.02Å; L99-I351 HydrophobicContact CD2-CB 3.44Å; L99-I351 VanDerWaalsContact CD2-CB 3.44Å; L99-I351 HydrophobicContact CD2-CG1 3.45Å; L99-I351 VanDerWaalsContact CD2-CG1 3.45Å; L99-I351 HydrophobicContact CD2-CG2 3.82Å; V328-I351 HydrophobicContact CB-CD1 3.81Å; V328-I351 HydrophobicContact CG1-CD1 4.09Å; V328-I351 CarbonylContact O-C 3.6Å; V328-I351 VanDerWaalsContact O-CA 3.23Å; V328-I351 WeakPolarHBondContact O-CA 3.46Å; L330-I351 HydrophobicContact CB-CG2 4.23Å; L330-I351 HydrophobicContact CD1-CG2 4.14Å; A333-I351 HydrophobicContact CB-CD1 3.82Å; A333-I351 HydrophobicContact CB-CG1 3.94Å; A333-I351 HydrophobicContact CB-CG2 4.47Å; I351-L353 HydrophobicContact CG2-CD1 4.3Å
352Q94.8Very high90.1Very high97 Ų9769.8 Ų69.845%0.45332%0.316SS..EExtended strand (participates in β ladder)trans-101.9129.2171.6-173170.6-11.600109.1P327 V328P327-Q352 HydrophobicContact CB-CB 4.13Å; V328-Q352 PolarHBondContact O-N 3.41Å
353L90.5Very high90.3Very high80 Ų8064.2 Ų64.242%0.41929%0.293SS..  trans-103.80-175.1-68.995.9000113V37 K38 C40 C100 L330 I351V37-L353 HydrophobicContact CB-CD1 4.41Å; V37-L353 HydrophobicContact CG1-CD1 3.87Å; K38-L353 PolarHBondContact O-N 3.36Å; C40-L353 HydrophobicContact CB-CD1 4.41Å; C100-L353 VanDerWaalsContact C-CD2 3.45Å; C100-L353 WeakPolarHBondContact O-CD2 3.22Å; L330-L353 HydrophobicContact CD2-CD2 4.2Å; I351-L353 HydrophobicContact CG2-CD1 4.3Å

Retrieved 353 of 353 residues in 1398.2 ms (Link to these results)

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