A0A096MPX6_PAPAN Loading...

Glutamate--cysteine ligase regulatory subunit

AlphaFold DB , UniProt , Accession A0A096MPX6, Species PAPAN (Papio anubis, Olive baboon), Gene GCLM, Length 274 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
1M43Very low74.7Confident232 Ų23273.4 Ų73.4100%1.14341%0.405SS*.  0-6.40-81-175.5144.300114.6
2G46.5Very low76.3Confident55 Ų5567.4 Ų67.457%0.56737%0.372SS*.  trans-103.1-12.1-169.100000118.5
3T52.4Low77.5Confident104 Ų10466.7 Ų66.764%0.63838%0.38SS*.SBendtrans-97.5-43.9-173.844.80000112.9R6 A7T3-R6 WeakPolarHBondContact O-CB 3.3Å; T3-R6 PolarHBondContact O-N 2.72Å; T3-R6 VanDerWaalsContact O-N 3.09Å; T3-A7 PolarHBondContact O-N 2.7Å
4D62.4Low78.5Confident78 Ų7872.8 Ų72.842%0.41739%0.394SS..Hα-helixtrans-74.3-36.5-167.4-44.8-23.3000111.1R6 A7 A8 S55D4-R6 VanDerWaalsContact C-N 3.26Å; D4-R6 PolarHBondContact O-N 2.71Å; D4-A7 PolarHBondContact O-N 3.29Å; D4-A8 PolarHBondContact O-N 3.11Å; D4-S55 WeakPolarHBondContact CB-O 3.36Å
5S71.9Confident79.6Confident34 Ų3467.9 Ų67.924%0.23837%0.368CS..Hα-helixtrans-63-29.9171.5-174.30000112.4K9S5-K9 WeakPolarHBondContact O-CB 3.47Å; S5-K9 WeakPolarHBondContact O-CG 3.45Å; S5-K9 PolarHBondContact O-N 3.35Å; S5-K9 VanDerWaalsContact O-N 3.11Å; S5-K9 WeakPolarHBondContact OG-CE 3.45Å
6R84.1Confident80.6Confident191 Ų19171.1 Ų71.172%0.72137%0.373SS*.Hα-helixtrans-72.3-40.8-179.3-168.7-177.4-65.8175.4-1.4112T3 D4 A10T3-R6 WeakPolarHBondContact O-CB 3.3Å; T3-R6 PolarHBondContact O-N 2.72Å; T3-R6 VanDerWaalsContact O-N 3.09Å; D4-R6 VanDerWaalsContact C-N 3.26Å; D4-R6 PolarHBondContact O-N 2.71Å; R6-A10 PolarHBondContact O-N 2.76Å; R6-A10 VanDerWaalsContact O-N 3.1Å
7A90.4Very high81.5Confident23 Ų2368.9 Ų68.919%0.1936%0.363CS..Hα-helixtrans-64.1-46.317600000111.1T3 D4 K9 A10 L11 I58 V63T3-A7 PolarHBondContact O-N 2.7Å; D4-A7 PolarHBondContact O-N 3.29Å; A7-K9 VanDerWaalsContact C-N 3.34Å; A7-K9 PolarHBondContact O-N 3.38Å; A7-A10 PolarHBondContact O-N 3.4Å; A7-L11 WeakPolarHBondContact O-CG 3.41Å; A7-L11 PolarHBondContact O-N 3.21Å; A7-I58 HydrophobicContact CB-CD1 3.98Å; A7-I58 HydrophobicContact CB-CG2 4.36Å; A7-V63 HydrophobicContact CB-CG2 3.9Å
8A91.8Very high82.3Confident0 Ų065.2 Ų65.20%034%0.343CS..Hα-helixtrans-56.5-47.6177.700000112D4 A10 L11 L12 W54 I58 I234D4-A8 PolarHBondContact O-N 3.11Å; A8-A10 PolarHBondContact O-N 2.99Å; A8-L11 PolarHBondContact O-N 3.35Å; A8-L12 WeakPolarHBondContact O-CB 3.42Å; A8-L12 PolarHBondContact O-N 3.26Å; A8-W54 HydrophobicContact CB-CH2 4.3Å; A8-W54 HydrophobicContact CB-CZ3 3.9Å; A8-I58 HydrophobicContact CB-CD1 3.53Å; A8-I58 VanDerWaalsContact N-CD1 3.26Å; A8-I234 HydrophobicContact CB-CD1 4.07Å; A8-I234 HydrophobicContact CB-CG2 4.14Å
9K92.2Very high83.1Confident50 Ų5062.8 Ų62.822%0.21733%0.33CS..Hα-helixtrans-58.7-46.6176.2-71.1175.1-152.5-150.20111.9S5 A7 L11 L12 A13 I234 P235 D236 I237S5-K9 WeakPolarHBondContact O-CB 3.47Å; S5-K9 WeakPolarHBondContact O-CG 3.45Å; S5-K9 PolarHBondContact O-N 3.35Å; S5-K9 VanDerWaalsContact O-N 3.11Å; S5-K9 WeakPolarHBondContact OG-CE 3.45Å; A7-K9 VanDerWaalsContact C-N 3.34Å; A7-K9 PolarHBondContact O-N 3.38Å; K9-L11 VanDerWaalsContact C-N 3.33Å; K9-L11 PolarHBondContact O-N 2.94Å; K9-L12 PolarHBondContact O-N 3.49Å; K9-A13 VanDerWaalsContact O-CB 3.26Å; K9-A13 WeakPolarHBondContact O-CB 3.48Å; K9-A13 PolarHBondContact O-N 3.34Å; K9-I234 HydrophobicContact CG-CG2 3.72Å; K9-P235 WeakPolarHBondContact CD-O 3.28Å; K9-P235 WeakPolarHBondContact CE-O 3.36Å; K9-P235 PolarHBondContact NZ-O 2.97Å; K9-D236 IonicContact NZ-OD2 3.04Å; K9-D236 PolarHBondContact NZ-OD2 2.7Å; K9-I237 HydrophobicContact CB-CG2 4.34Å; K9-I237 HydrophobicContact CG-CG2 3.81Å
10A92.4Very high83.7Confident38 Ų3859.8 Ų59.831%0.31431%0.314SS..Hα-helixtrans-64.4-38.3-178.400000112.5R6 A7 A8 F66R6-A10 PolarHBondContact O-N 2.76Å; R6-A10 VanDerWaalsContact O-N 3.1Å; A7-A10 PolarHBondContact O-N 3.4Å; A8-A10 PolarHBondContact O-N 2.99Å; A10-F66 HydrophobicContact CB-CE1 4.16Å
11L94.5Very high84.3Confident2 Ų257.8 Ų57.81%0.0130%0.304CS..Hα-helixtrans-65.9-51.5175.3-70.3172.8000111.2A7 A8 K9 A13 R14 A15 W54 I58 L62 V63 F66 L70A7-L11 WeakPolarHBondContact O-CG 3.41Å; A7-L11 PolarHBondContact O-N 3.21Å; A8-L11 PolarHBondContact O-N 3.35Å; K9-L11 VanDerWaalsContact C-N 3.33Å; K9-L11 PolarHBondContact O-N 2.94Å; L11-A13 PolarHBondContact O-N 2.89Å; L11-R14 PolarHBondContact O-N 3.15Å; L11-A15 PolarHBondContact O-N 2.98Å; L11-W54 HydrophobicContact CD1-CH2 4.37Å; L11-W54 HydrophobicContact CD1-CZ2 4.08Å; L11-I58 HydrophobicContact CD1-CD1 4.18Å; L11-I58 HydrophobicContact CD1-CG2 3.76Å; L11-L62 HydrophobicContact CD1-CB 4.18Å; L11-L62 HydrophobicContact CD2-CB 4.26Å; L11-L62 VanDerWaalsContact CD2-O 3.27Å; L11-L62 WeakPolarHBondContact CD2-O 3.25Å; L11-V63 HydrophobicContact CD1-CG2 4.37Å; L11-F66 HydrophobicContact CD2-CD1 3.92Å; L11-F66 HydrophobicContact CD2-CE1 4.29Å; L11-L70 HydrophobicContact CB-CD1 3.93Å; L11-L70 HydrophobicContact CB-CD2 4.01Å; L11-L70 HydrophobicContact CD1-CD2 4.44Å; L11-L70 HydrophobicContact CD2-CD2 4.3Å; L11-L70 HydrophobicContact CG-CD2 4.49Å
12L93.5Very high86.7Confident2 Ų246.8 Ų46.81%0.0125%0.249CC..Hα-helixtrans-63.3-29.4179.2-75.9167.9000113A8 K9 R14 L18 W54 L70 I234 I237 W242A8-L12 WeakPolarHBondContact O-CB 3.42Å; A8-L12 PolarHBondContact O-N 3.26Å; K9-L12 PolarHBondContact O-N 3.49Å; L12-R14 PolarHBondContact O-N 3.3Å; L12-L18 HydrophobicContact CD2-CD1 4.4Å; L12-L18 HydrophobicContact CD2-CD2 4.48Å; L12-W54 HydrophobicContact CD1-CZ3 4.46Å; L12-W54 HydrophobicContact CG-CH2 4.48Å; L12-L70 HydrophobicContact CD2-CD1 3.89Å; L12-L70 HydrophobicContact CG-CD1 4.18Å; L12-I234 HydrophobicContact CD1-CD1 3.4Å; L12-I234 HydrophobicContact CD1-CG2 4.43Å; L12-I237 HydrophobicContact CD1-CD1 4.44Å; L12-I237 HydrophobicContact CD1-CG2 4.33Å; L12-W242 HydrophobicContact CD2-CH2 4.47Å; L12-W242 HydrophobicContact CD2-CZ2 3.86Å; L12-W242 WeakPolarHBondContact O-CZ2 3.49Å
13A91.9Very high88.9Confident58 Ų5844.1 Ų44.148%0.47922%0.222SC..THydrogen-bonded Turntrans-70.2-11175.500000113.8K9 L11 R271K9-A13 VanDerWaalsContact O-CB 3.26Å; K9-A13 WeakPolarHBondContact O-CB 3.48Å; K9-A13 PolarHBondContact O-N 3.34Å; L11-A13 PolarHBondContact O-N 2.89Å; A13-R271 PolarHBondContact O-NH1 2.96Å
14R92.2Very high90.8Very high152 Ų15239.3 Ų39.357%0.57419%0.192SC*.THydrogen-bonded Turntrans-119.8-32.8-177.8-69.5-17663.1143.23.3113.5L11 L12 F66L11-R14 PolarHBondContact O-N 3.15Å; L12-R14 PolarHBondContact O-N 3.3Å; R14-F66 HydrophobicContact CB-CD1 4.35Å; R14-F66 VanDerWaalsContact CD-CD1 3.47Å; R14-F66 HydrophobicContact CG-CD1 4.36Å
15A95.3Very high92.2Very high0 Ų035.9 Ų35.90%017%0.174CC..  trans-60.5148.7177.900000112.1L11 L70 W242L11-A15 PolarHBondContact O-N 2.98Å; A15-L70 HydrophobicContact CB-CB 4.45Å; A15-L70 HydrophobicContact CB-CD1 3.37Å; A15-L70 HydrophobicContact CB-CD2 4.49Å; A15-L70 HydrophobicContact CB-CG 3.48Å; A15-L70 VanDerWaalsContact CB-CG 3.48Å; A15-W242 HydrophobicContact CB-CH2 4.01Å; A15-W242 HydrophobicContact CB-CZ2 4.36Å
16R95.3Very high93Very high119 Ų11938.7 Ų38.745%0.44919%0.186SC..SBendtrans-102.9-29.9176-62.1-177.8-174.4-145.74.3111.5D68 K270 R271 S274R16-D68 PolarHBondContact N-O 3Å; R16-D68 IonicContact NE-OD1 3.95Å; R16-D68 PolarHBondContact NE-OD1 2.88Å; R16-K270 CarbonylContact O-C 3.56Å; R16-K270 VanDerWaalsContact O-CA 3.3Å; R16-K270 WeakPolarHBondContact O-CA 3.46Å; R16-R271 PolarHBondContact O-N 3.32Å; R16-S274 PolarHBondContact NH1-OXT 3.28Å
17T95.6Very high93Very high34 Ų3433.1 Ų33.121%0.20917%0.17CC..EExtended strand (participates in β ladder)trans-128.7139.8-177.7-520000109.9H19 D68 V69 L70 Q268 A269T17-H19 WeakPolarHBondContact CG2-NE2 3.41Å; T17-D68 PolarHBondContact N-O 3.32Å; T17-V69 HydrophobicContact CG2-CG1 4.27Å; T17-V69 WeakPolarHBondContact O-CA 3.15Å; T17-L70 PolarHBondContact O-N 3.22Å; T17-Q268 HydrophobicContact CG2-CG 3.99Å; T17-A269 WeakPolarHBondContact CA-O 3.32Å
18L96.1Very high92.5Very high1 Ų132.4 Ų32.41%0.00516%0.163CC..EExtended strand (participates in β ladder)trans-124.1120.2176.2174.366.4000107.7L12 L70 C72 F226 L230 W242 Q268 A269L12-L18 HydrophobicContact CD2-CD1 4.4Å; L12-L18 HydrophobicContact CD2-CD2 4.48Å; L18-L70 HydrophobicContact CD1-CB 4.08Å; L18-C72 HydrophobicContact CD1-CB 4.18Å; L18-C72 WeakPolarHBondContact CD1-SG 3.47Å; L18-F226 HydrophobicContact CD2-CZ 4.1Å; L18-L230 HydrophobicContact CD2-CD1 4.09Å; L18-W242 HydrophobicContact CB-CE3 3.94Å; L18-W242 HydrophobicContact CB-CH2 3.89Å; L18-W242 HydrophobicContact CB-CZ3 3.39Å; L18-Q268 CarbonylContact O-C 3.51Å; L18-Q268 WeakPolarHBondContact O-CA 3.37Å; L18-A269 HydrophobicContact CB-CB 4.41Å; L18-A269 PolarHBondContact N-O 2.65Å; L18-A269 PolarHBondContact O-N 2.89Å
19H96.7Very high91.3Very high21 Ų2135.3 Ų35.310%0.09719%0.193CC..EExtended strand (participates in β ladder)trans-102.5128.4167.7-64.4162.4000108.3T17 L70 E71 C72 M112 L267 Q268T17-H19 WeakPolarHBondContact CG2-NE2 3.41Å; H19-L70 PolarHBondContact N-O 3.45Å; H19-E71 WeakPolarHBondContact CB-OE2 3.37Å; H19-E71 IonicContact CE1-OE1 3.75Å; H19-E71 IonicContact CG-OE1 2.65Å; H19-E71 IonicContact CG-OE2 2.72Å; H19-E71 IonicContact ND1-OE1 2.71Å; H19-E71 PolarHBondContact ND1-OE1 3.15Å; H19-E71 IonicContact ND1-OE2 3.07Å; H19-C72 PolarHBondContact O-N 2.84Å; H19-M112 HydrophobicContact CB-CE 4.12Å; H19-M112 HydrophobicContact CB-SD 4.22Å; H19-M112 VanDerWaalsContact CD2-CE 3.46Å; H19-M112 WeakPolarHBondContact CD2-CE 3.49Å; H19-M112 WeakPolarHBondContact CE1-CE 3.29Å; H19-M112 VanDerWaalsContact ND1-CE 3.27Å; H19-M112 WeakPolarHBondContact ND1-CE 3.17Å; H19-M112 WeakPolarHBondContact NE2-CE 3.46Å; H19-L267 WeakPolarHBondContact CA-O 3.5Å; H19-Q268 PolarHBondContact NE2-NE2 2.86Å
20L96.5Very high89.7Confident2 Ų244.7 Ų44.71%0.0123%0.227CC..EExtended strand (participates in β ladder)trans-121126.6177.1-173.4155.5000109T22 I47 T50 L51 C72 I266 L267L20-T22 HydrophobicContact CD2-CG2 4.09Å; L20-I47 HydrophobicContact CD1-CB 4.24Å; L20-I47 HydrophobicContact CD1-CG1 4.26Å; L20-I47 HydrophobicContact CD1-CG2 3.84Å; L20-I47 HydrophobicContact CD2-CG1 4.39Å; L20-T50 HydrophobicContact CD1-CG2 4.38Å; L20-T50 HydrophobicContact CD2-CG2 4Å; L20-T50 HydrophobicContact CG-CG2 3.81Å; L20-L51 HydrophobicContact CD1-CD1 4.41Å; L20-L51 HydrophobicContact CD1-CD2 4.17Å; L20-L51 HydrophobicContact CD1-CG 3.95Å; L20-C72 WeakPolarHBondContact CA-O 3.12Å; L20-I266 CarbonylContact O-C 3.56Å; L20-I266 WeakPolarHBondContact O-CA 3.36Å; L20-L267 HydrophobicContact CB-CB 4.3Å; L20-L267 PolarHBondContact N-O 3.23Å; L20-L267 PolarHBondContact O-N 3.04Å
21Q95.3Very high88.1Confident18 Ų1845.4 Ų45.48%0.08423%0.225CC..EExtended strand (participates in β ladder)trans-129.3121.5177.8-178.2-161.2-26.900110.2G23 C72 T73 V74 V78 V116 I266Q21-G23 VanDerWaalsContact C-N 3.29Å; Q21-G23 PolarHBondContact O-N 3.3Å; Q21-C72 PolarHBondContact N-O 2.74Å; Q21-T73 HydrophobicContact CB-CG2 4.1Å; Q21-T73 WeakPolarHBondContact O-CA 3.49Å; Q21-V74 PolarHBondContact O-N 2.88Å; Q21-V78 VanDerWaalsContact NE2-CG2 3.34Å; Q21-V116 VanDerWaalsContact CD-CG2 3.44Å; Q21-V116 HydrophobicContact CG-CG1 3.93Å; Q21-V116 HydrophobicContact CG-CG2 4.1Å; Q21-I266 HydrophobicContact CG-CG1 4.39Å
22T94.2Very high86.1Confident0 Ų054.3 Ų54.30%026%0.259CS..  trans-75.6-20.6-178.665.90000112.8L20 L25 W28 C46 G264 Y265L20-T22 HydrophobicContact CD2-CG2 4.09Å; T22-L25 HydrophobicContact CG2-CD2 4.49Å; T22-W28 HydrophobicContact CG2-CH2 4.18Å; T22-W28 HydrophobicContact CG2-CZ2 4.2Å; T22-W28 WeakPolarHBondContact O-CZ2 3.4Å; T22-W28 PolarHBondContact O-NE1 3.39Å; T22-C46 HydrophobicContact CG2-CB 3.75Å; T22-G264 WeakPolarHBondContact OG1-CA 3.46Å; T22-Y265 HydrophobicContact CG2-CD2 4.27Å; T22-Y265 PolarHBondContact N-O 2.95Å; T22-Y265 PolarHBondContact OG1-N 3.42Å; T22-Y265 PolarHBondContact OG1-O 2.89Å
23G92.1Very high84.3Confident0 Ų065 Ų650%031%0.305CS..  trans65.5-165.3-165.600000111.4Q21 L25 Y250Q21-G23 VanDerWaalsContact C-N 3.29Å; Q21-G23 PolarHBondContact O-N 3.3Å; G23-L25 PolarHBondContact O-N 3.22Å; G23-Y250 PolarHBondContact O-OH 3.35Å
24N92.3Very high82.7Confident2 Ų270.8 Ų70.81%0.01132%0.319CS..  trans-71.9107.3-179.1-171.8-3.1000110.9L26 N27 W28 A77 E79 K261 S262 K263N24-L26 PolarHBondContact O-N 3.39Å; N24-L26 VanDerWaalsContact O-N 3.12Å; N24-L26 VanDerWaalsContact OD1-CB 3.29Å; N24-L26 WeakPolarHBondContact OD1-CB 3.2Å; N24-L26 WeakPolarHBondContact OD1-CG 3.49Å; N24-L26 PolarHBondContact OD1-N 3.1Å; N24-N27 HydrophobicContact CB-CB 4.39Å; N24-N27 PolarHBondContact ND2-ND2 3.4Å; N24-N27 WeakPolarHBondContact O-CB 3.22Å; N24-N27 PolarHBondContact O-N 3.12Å; N24-W28 VanDerWaalsContact O-CD1 3.27Å; N24-A77 WeakPolarHBondContact CB-O 3.39Å; N24-A77 PolarHBondContact N-O 3.25Å; N24-E79 PolarHBondContact ND2-OE2 3.12Å; N24-K261 PolarHBondContact ND2-O 2.88Å; N24-K261 VanDerWaalsContact ND2-O 3.09Å; N24-S262 WeakPolarHBondContact OD1-CA 3.27Å; N24-K263 PolarHBondContact OD1-N 3.43Å
25L91.6Very high81.2Confident7 Ų768.9 Ų68.94%0.03733%0.328CS..THydrogen-bonded Turntrans-62.5-18.7178.5-59.6178000113T22 G23 N27 W28 C46 K263 Y265T22-L25 HydrophobicContact CG2-CD2 4.49Å; G23-L25 PolarHBondContact O-N 3.22Å; L25-N27 PolarHBondContact O-N 2.87Å; L25-W28 HydrophobicContact CD2-CD2 3.63Å; L25-W28 HydrophobicContact CD2-CE3 3.71Å; L25-W28 HydrophobicContact CD2-CG 4.33Å; L25-W28 HydrophobicContact CD2-CH2 3.82Å; L25-W28 HydrophobicContact CD2-CZ2 3.73Å; L25-W28 HydrophobicContact CD2-CZ3 3.8Å; L25-W28 WeakPolarHBondContact O-CB 3.48Å; L25-W28 PolarHBondContact O-N 2.98Å; L25-C46 VanDerWaalsContact CD2-SG 3.56Å; L25-K263 HydrophobicContact CB-CG 4.21Å; L25-K263 HydrophobicContact CD1-CG 4.43Å; L25-K263 WeakPolarHBondContact CG-O 3.35Å; L25-K263 PolarHBondContact N-O 3.42Å; L25-Y265 HydrophobicContact CD1-CD2 3.89Å; L25-Y265 HydrophobicContact CD1-CE2 3.62Å
26L88.3Confident79.7Confident92 Ų9270.8 Ų70.848%0.48234%0.341SS..THydrogen-bonded Turntrans-70.3-25.3173.7-55-178.8000112.1N24 W28 I260 K263N24-L26 PolarHBondContact O-N 3.39Å; N24-L26 VanDerWaalsContact O-N 3.12Å; N24-L26 VanDerWaalsContact OD1-CB 3.29Å; N24-L26 WeakPolarHBondContact OD1-CB 3.2Å; N24-L26 WeakPolarHBondContact OD1-CG 3.49Å; N24-L26 PolarHBondContact OD1-N 3.1Å; L26-W28 VanDerWaalsContact C-N 3.35Å; L26-I260 HydrophobicContact CD1-CG2 4.23Å; L26-I260 WeakPolarHBondContact CD1-O 3.48Å; L26-K263 HydrophobicContact CD2-CG 4.45Å
27N85.3Confident78.5Confident75 Ų7569.4 Ų69.440%0.40135%0.349SS..SBendtrans-89.2-6.1178.6-63.7-17.1000112.2N24 L25 G29 A77 E79N24-N27 HydrophobicContact CB-CB 4.39Å; N24-N27 PolarHBondContact ND2-ND2 3.4Å; N24-N27 WeakPolarHBondContact O-CB 3.22Å; N24-N27 PolarHBondContact O-N 3.12Å; L25-N27 PolarHBondContact O-N 2.87Å; N27-G29 PolarHBondContact O-N 3.37Å; N27-A77 HydrophobicContact CB-CB 4.48Å; N27-E79 PolarHBondContact ND2-OE2 3.48Å
28W80.4Confident77.8Confident7 Ų771.1 Ų71.13%0.02736%0.36CS..SBendtrans-75.989.3171.2-70.324.9000108.1T22 N24 L25 L26 R30 L31 C46 K49 V74 A77T22-W28 HydrophobicContact CG2-CH2 4.18Å; T22-W28 HydrophobicContact CG2-CZ2 4.2Å; T22-W28 WeakPolarHBondContact O-CZ2 3.4Å; T22-W28 PolarHBondContact O-NE1 3.39Å; N24-W28 VanDerWaalsContact O-CD1 3.27Å; L25-W28 HydrophobicContact CD2-CD2 3.63Å; L25-W28 HydrophobicContact CD2-CE3 3.71Å; L25-W28 HydrophobicContact CD2-CG 4.33Å; L25-W28 HydrophobicContact CD2-CH2 3.82Å; L25-W28 HydrophobicContact CD2-CZ2 3.73Å; L25-W28 HydrophobicContact CD2-CZ3 3.8Å; L25-W28 WeakPolarHBondContact O-CB 3.48Å; L25-W28 PolarHBondContact O-N 2.98Å; L26-W28 VanDerWaalsContact C-N 3.35Å; W28-R30 PolarHBondContact O-N 3.49Å; W28-L31 HydrophobicContact CB-CG 4.33Å; W28-L31 HydrophobicContact CE3-CD1 4.11Å; W28-L31 HydrophobicContact CE3-CD2 3.5Å; W28-L31 HydrophobicContact CE3-CG 3.91Å; W28-L31 HydrophobicContact CZ3-CD2 3.87Å; W28-C46 VanDerWaalsContact CH2-CA 3.47Å; W28-C46 HydrophobicContact CH2-CB 3.61Å; W28-C46 WeakPolarHBondContact CH2-O 3.23Å; W28-C46 HydrophobicContact CZ3-CB 3.78Å; W28-C46 WeakPolarHBondContact CZ3-SG 3.37Å; W28-K49 HydrophobicContact CD2-CD 4.14Å; W28-K49 HydrophobicContact CE3-CD 3.6Å; W28-K49 HydrophobicContact CH2-CB 4.08Å; W28-K49 HydrophobicContact CH2-CD 4.29Å; W28-K49 HydrophobicContact CH2-CG 4.44Å; W28-K49 HydrophobicContact CZ3-CB 3.93Å; W28-K49 HydrophobicContact CZ3-CD 3.69Å; W28-K49 HydrophobicContact CZ3-CG 4.23Å; W28-V74 HydrophobicContact CZ2-CB 4.46Å; W28-V74 HydrophobicContact CZ2-CG2 3.7Å; W28-A77 VanDerWaalsContact CD1-CB 3.44Å
29G65.2Low77.3Confident62 Ų6273.4 Ų73.464%0.63937%0.37SS*.THydrogen-bonded Turntrans-41.7133.2176.200000111.6N27 L31N27-G29 PolarHBondContact O-N 3.37Å; G29-L31 PolarHBondContact O-N 2.88Å
30R59.8Low76.9Confident246 Ų24674 Ų7493%0.92838%0.377SS*.THydrogen-bonded Turntrans3.492.1-169-65.7-170.8-169.4-135.13.6114W28 R32W28-R30 PolarHBondContact O-N 3.49Å; R30-R32 VanDerWaalsContact C-N 3.27Å; R30-R32 PolarHBondContact O-N 3.41Å
31L57.5Low76.5Confident53 Ų5377.6 Ų77.628%0.27739%0.394SS..  trans-48.486.5163.7-93.1162.6000111W28 G29W28-L31 HydrophobicContact CB-CG 4.33Å; W28-L31 HydrophobicContact CE3-CD1 4.11Å; W28-L31 HydrophobicContact CE3-CD2 3.5Å; W28-L31 HydrophobicContact CE3-CG 3.91Å; W28-L31 HydrophobicContact CZ3-CD2 3.87Å; G29-L31 PolarHBondContact O-N 2.88Å
32R54.3Low76.2Confident190 Ų19078.2 Ų78.272%0.71740%0.396SS*.  trans48.8172.6177-77.6-175.5164.1-177.3-2.2116.4R30 K34R30-R32 VanDerWaalsContact C-N 3.27Å; R30-R32 PolarHBondContact O-N 3.41Å; R32-K34 VanDerWaalsContact C-N 3.3Å; R32-K34 PolarHBondContact O-N 3.28Å
33K54.7Low76.2Confident227 Ų22778.3 Ų78.399%0.98740%0.397SS*.SBendtrans-75.4-10-176.4-79.5178.2175.6176.10114.3
34K58.2Low76.2Confident178 Ų17882.1 Ų82.177%0.77441%0.412SS*.SBendtrans-128.1126.1-174.9-168.4178.5179.1-1720108.6R32R32-K34 VanDerWaalsContact C-N 3.3Å; R32-K34 PolarHBondContact O-N 3.28Å
35C59.9Low76.1Confident112 Ų11283.6 Ų83.676%0.75742%0.419SS*.  trans-64.9132.8175.2-159.30000108.9S37C35-S37 PolarHBondContact O-N 2.85Å
36P64.6Low76.2Confident40 Ų4083.2 Ų83.226%0.2642%0.417SS..  trans-54.4137.9172.6-22.131.8000110.1E41 E42P36-E41 HydrophobicContact CB-CB 4.24Å; P36-E42 HydrophobicContact CB-CB 3.98Å; P36-E42 HydrophobicContact CG-CB 4.01Å; P36-E42 HydrophobicContact CG-CG 4.33Å
37S69.2Low76.5Confident91 Ų9178.9 Ų78.964%0.63640%0.395SS*.SBendtrans-85.6-18.4179.4700000112.4C35 E41C35-S37 PolarHBondContact O-N 2.85Å; S37-E41 WeakPolarHBondContact CA-OE2 3.49Å; S37-E41 WeakPolarHBondContact CB-OE2 3.22Å; S37-E41 PolarHBondContact N-OE2 3.23Å; S37-E41 PolarHBondContact OG-OE1 2.86Å; S37-E41 PolarHBondContact OG-OE2 3.33Å
38T82.9Confident76.9Confident70 Ų7076.2 Ų76.243%0.42938%0.38SS..SBendtrans-141.7163.417871.30000112.7S40 E41 E42T38-S40 VanDerWaalsContact C-N 3.33Å; T38-S40 PolarHBondContact O-N 2.59Å; T38-E41 PolarHBondContact N-OE2 2.91Å; T38-E41 PolarHBondContact O-N 2.76Å; T38-E41 WeakPolarHBondContact OG1-CG 3.3Å; T38-E41 PolarHBondContact OG1-N 2.91Å; T38-E42 PolarHBondContact O-N 2.7Å; T38-E42 VanDerWaalsContact O-N 3.1Å
39H85.6Confident77.5Confident48 Ų4878.4 Ų78.422%0.22239%0.389CS..Hα-helixtrans-63.3-35.1173.6-70.5120.3000113.3E42 L43 N215 D216 L220H39-E42 PolarHBondContact O-N 3.16Å; H39-L43 WeakPolarHBondContact O-CB 3.4Å; H39-L43 PolarHBondContact O-N 2.96Å; H39-N215 PolarHBondContact CE1-OD1 2.97Å; H39-N215 VanDerWaalsContact CE1-OD1 3.24Å; H39-N215 PolarHBondContact ND1-O 2.99Å; H39-D216 IonicContact ND1-OD1 3.77Å; H39-L220 HydrophobicContact CB-CD1 3.68Å
40S87.8Confident78.9Confident34 Ų3475.4 Ų75.424%0.23836%0.359CS..Hα-helixtrans-66.7-38.3176.2-62.30000111.9T38 L43 R44 P217 L220T38-S40 VanDerWaalsContact C-N 3.33Å; T38-S40 PolarHBondContact O-N 2.59Å; S40-L43 PolarHBondContact O-N 3.18Å; S40-R44 WeakPolarHBondContact O-CB 3.43Å; S40-R44 PolarHBondContact O-N 2.96Å; S40-P217 VanDerWaalsContact OG-CG 3.23Å; S40-P217 WeakPolarHBondContact OG-CG 3.44Å; S40-L220 PolarHBondContact OG-O 3.42Å
41E87.4Confident80.5Confident78 Ų7863.7 Ų63.736%0.36432%0.315SS..Hα-helixtrans-65-45.1173.5-73.8178.9168.700111.9P36 S37 T38 L43 R44 D45P36-E41 HydrophobicContact CB-CB 4.24Å; S37-E41 WeakPolarHBondContact CA-OE2 3.49Å; S37-E41 WeakPolarHBondContact CB-OE2 3.22Å; S37-E41 PolarHBondContact N-OE2 3.23Å; S37-E41 PolarHBondContact OG-OE1 2.86Å; S37-E41 PolarHBondContact OG-OE2 3.33Å; T38-E41 PolarHBondContact N-OE2 2.91Å; T38-E41 PolarHBondContact O-N 2.76Å; T38-E41 WeakPolarHBondContact OG1-CG 3.3Å; T38-E41 PolarHBondContact OG1-N 2.91Å; E41-L43 VanDerWaalsContact C-N 3.3Å; E41-L43 PolarHBondContact O-N 3.03Å; E41-R44 PolarHBondContact O-N 2.83Å; E41-D45 WeakPolarHBondContact O-CB 3.32Å; E41-D45 PolarHBondContact O-N 2.83Å
42E89.5Confident82.2Confident30 Ų3064.8 Ų64.814%0.1432%0.321CS..Hα-helixtrans-56.1-47.6174.6-173.6-171.98700110.2P36 T38 H39 D45 C46 K263 Y265P36-E42 HydrophobicContact CB-CB 3.98Å; P36-E42 HydrophobicContact CG-CB 4.01Å; P36-E42 HydrophobicContact CG-CG 4.33Å; T38-E42 PolarHBondContact O-N 2.7Å; T38-E42 VanDerWaalsContact O-N 3.1Å; H39-E42 PolarHBondContact O-N 3.16Å; E42-D45 PolarHBondContact O-N 2.82Å; E42-C46 WeakPolarHBondContact O-CB 3.14Å; E42-C46 PolarHBondContact O-N 3.18Å; E42-C46 PolarHBondContact O-SG 3.13Å; E42-K263 IonicContact OE1-NZ 3.96Å; E42-K263 IonicContact OE2-NZ 3.7Å; E42-K263 PolarHBondContact OE2-NZ 3.31Å; E42-K263 VanDerWaalsContact OE2-NZ 3.13Å; E42-Y265 WeakPolarHBondContact OE1-CE2 3.42Å; E42-Y265 PolarHBondContact OE1-OH 3.48Å
43L92.9Very high83.9Confident2 Ų257.5 Ų57.51%0.0130%0.295CS..Hα-helixtrans-62.3-46.5-179.7175.562.3000112.5H39 S40 E41 D45 C46 I47 L220 L221 L247 Y265H39-L43 WeakPolarHBondContact O-CB 3.4Å; H39-L43 PolarHBondContact O-N 2.96Å; S40-L43 PolarHBondContact O-N 3.18Å; E41-L43 VanDerWaalsContact C-N 3.3Å; E41-L43 PolarHBondContact O-N 3.03Å; L43-D45 VanDerWaalsContact C-N 3.34Å; L43-D45 PolarHBondContact O-N 3.22Å; L43-C46 CarbonylContact O-C 3.59Å; L43-C46 WeakPolarHBondContact O-CA 3.27Å; L43-C46 WeakPolarHBondContact O-CB 3.42Å; L43-C46 PolarHBondContact O-N 3.06Å; L43-C46 VanDerWaalsContact O-N 3.08Å; L43-I47 HydrophobicContact CD1-CD1 4.09Å; L43-I47 HydrophobicContact CD1-CG1 4.25Å; L43-I47 HydrophobicContact CG-CD1 3.97Å; L43-I47 WeakPolarHBondContact O-CG1 3.32Å; L43-I47 PolarHBondContact O-N 2.94Å; L43-L220 HydrophobicContact CD2-CG 4.05Å; L43-L221 HydrophobicContact CD2-CB 3.78Å; L43-L221 HydrophobicContact CD2-CD1 4.03Å; L43-L221 HydrophobicContact CD2-CD2 4.37Å; L43-L221 HydrophobicContact CD2-CG 4.29Å; L43-L247 HydrophobicContact CD1-CD1 3.85Å; L43-L247 HydrophobicContact CD1-CD2 4.41Å; L43-L247 HydrophobicContact CD2-CD1 4.24Å; L43-L247 HydrophobicContact CD2-CD2 3.41Å; L43-L247 VanDerWaalsContact CD2-CD2 3.41Å; L43-L247 HydrophobicContact CD2-CG 4.47Å; L43-Y265 HydrophobicContact CD1-CD1 3.79Å; L43-Y265 HydrophobicContact CD1-CD2 4.06Å; L43-Y265 HydrophobicContact CD1-CE1 4.24Å; L43-Y265 HydrophobicContact CD1-CG 3.69Å
44R92.9Very high85.7Confident81 Ų8147.4 Ų47.431%0.30625%0.251SS..Hα-helixtrans-59.5-46.9178.7-171.2-169.567.7112.314.7110.9S40 E41 C46 I47 Q48 A229 E232S40-R44 WeakPolarHBondContact O-CB 3.43Å; S40-R44 PolarHBondContact O-N 2.96Å; E41-R44 PolarHBondContact O-N 2.83Å; R44-C46 PolarHBondContact O-N 2.88Å; R44-I47 PolarHBondContact O-N 3.37Å; R44-Q48 WeakPolarHBondContact O-CG 3.34Å; R44-Q48 PolarHBondContact O-N 2.96Å; R44-A229 HydrophobicContact CG-CB 4.05Å; R44-E232 IonicContact NH1-OE2 3.62Å
45D90.6Very high87.4Confident32 Ų3239.6 Ų39.617%0.17122%0.218CC..Hα-helixtrans-61.8-34.7176.2-76.89.3000111.1E41 E42 L43 K49E41-D45 WeakPolarHBondContact O-CB 3.32Å; E41-D45 PolarHBondContact O-N 2.83Å; E42-D45 PolarHBondContact O-N 2.82Å; L43-D45 VanDerWaalsContact C-N 3.34Å; L43-D45 PolarHBondContact O-N 3.22Å; D45-K49 WeakPolarHBondContact O-CB 3.4Å; D45-K49 PolarHBondContact O-N 3.44Å
46C93.1Very high88.8Confident0 Ų037.4 Ų37.40%020%0.204CC..Hα-helixtrans-67.7-44.7174.9-67.80000113.7T22 L25 W28 E42 L43 R44 Q48 K49 T50 Y265T22-C46 HydrophobicContact CG2-CB 3.75Å; L25-C46 VanDerWaalsContact CD2-SG 3.56Å; W28-C46 VanDerWaalsContact CH2-CA 3.47Å; W28-C46 HydrophobicContact CH2-CB 3.61Å; W28-C46 WeakPolarHBondContact CH2-O 3.23Å; W28-C46 HydrophobicContact CZ3-CB 3.78Å; W28-C46 WeakPolarHBondContact CZ3-SG 3.37Å; E42-C46 WeakPolarHBondContact O-CB 3.14Å; E42-C46 PolarHBondContact O-N 3.18Å; E42-C46 PolarHBondContact O-SG 3.13Å; L43-C46 CarbonylContact O-C 3.59Å; L43-C46 WeakPolarHBondContact O-CA 3.27Å; L43-C46 WeakPolarHBondContact O-CB 3.42Å; L43-C46 PolarHBondContact O-N 3.06Å; L43-C46 VanDerWaalsContact O-N 3.08Å; R44-C46 PolarHBondContact O-N 2.88Å; C46-Q48 VanDerWaalsContact C-N 3.31Å; C46-Q48 PolarHBondContact O-N 3.11Å; C46-K49 PolarHBondContact O-N 3.49Å; C46-T50 WeakPolarHBondContact O-CB 3.5Å; C46-T50 PolarHBondContact O-N 2.86Å; C46-T50 PolarHBondContact O-OG1 3.42Å; C46-Y265 HydrophobicContact CB-CD2 4.45Å
47I95.1Very high89.9Confident1 Ų140.9 Ų40.91%0.00522%0.217CC..Hα-helixtrans-58-49.3174.9-70.4164.1000109.3L20 L43 R44 K49 T50 L51 L221 F226 A229 L267L20-I47 HydrophobicContact CD1-CB 4.24Å; L20-I47 HydrophobicContact CD1-CG1 4.26Å; L20-I47 HydrophobicContact CD1-CG2 3.84Å; L20-I47 HydrophobicContact CD2-CG1 4.39Å; L43-I47 HydrophobicContact CD1-CD1 4.09Å; L43-I47 HydrophobicContact CD1-CG1 4.25Å; L43-I47 HydrophobicContact CG-CD1 3.97Å; L43-I47 WeakPolarHBondContact O-CG1 3.32Å; L43-I47 PolarHBondContact O-N 2.94Å; R44-I47 PolarHBondContact O-N 3.37Å; I47-K49 PolarHBondContact O-N 2.99Å; I47-T50 PolarHBondContact O-N 3.44Å; I47-L51 HydrophobicContact CG2-CD1 3.73Å; I47-L51 HydrophobicContact CG2-CG 4.5Å; I47-L51 WeakPolarHBondContact O-CG 3.5Å; I47-L51 PolarHBondContact O-N 2.99Å; I47-L221 HydrophobicContact CD1-CD1 3.92Å; I47-L221 HydrophobicContact CD1-CD2 4.36Å; I47-F226 HydrophobicContact CD1-CD2 4.32Å; I47-A229 HydrophobicContact CB-CB 4.33Å; I47-A229 HydrophobicContact CG2-CB 3.76Å; I47-L267 HydrophobicContact CD1-CD2 4.3Å
48Q93.9Very high90.8Very high19 Ų1937.8 Ų37.89%0.08919%0.193CC..Hα-helixtrans-62.3-47.2-178.3-70.5-178.2-19.700112.8R44 C46 T50 L51 N52 A229 E232 S233R44-Q48 WeakPolarHBondContact O-CG 3.34Å; R44-Q48 PolarHBondContact O-N 2.96Å; C46-Q48 VanDerWaalsContact C-N 3.31Å; C46-Q48 PolarHBondContact O-N 3.11Å; Q48-T50 VanDerWaalsContact C-N 3.31Å; Q48-T50 PolarHBondContact O-N 3.49Å; Q48-L51 PolarHBondContact O-N 2.93Å; Q48-N52 VanDerWaalsContact O-CB 3.31Å; Q48-N52 WeakPolarHBondContact O-CB 3.22Å; Q48-N52 PolarHBondContact O-N 2.95Å; Q48-N52 PolarHBondContact O-ND2 2.89Å; Q48-A229 HydrophobicContact CG-CB 4.07Å; Q48-E232 PolarHBondContact NE2-OE2 3.42Å; Q48-S233 VanDerWaalsContact CA-OG 3.3Å; Q48-S233 WeakPolarHBondContact CA-OG 3.45Å
49K92Very high90.9Very high52 Ų5238.2 Ų38.223%0.22619%0.193CC..Hα-helixtrans-61.5-43.4178.7-174.2174170.6-170.70111.2W28 D45 C46 I47 L51 N52 E53W28-K49 HydrophobicContact CD2-CD 4.14Å; W28-K49 HydrophobicContact CE3-CD 3.6Å; W28-K49 HydrophobicContact CH2-CB 4.08Å; W28-K49 HydrophobicContact CH2-CD 4.29Å; W28-K49 HydrophobicContact CH2-CG 4.44Å; W28-K49 HydrophobicContact CZ3-CB 3.93Å; W28-K49 HydrophobicContact CZ3-CD 3.69Å; W28-K49 HydrophobicContact CZ3-CG 4.23Å; D45-K49 WeakPolarHBondContact O-CB 3.4Å; D45-K49 PolarHBondContact O-N 3.44Å; C46-K49 PolarHBondContact O-N 3.49Å; I47-K49 PolarHBondContact O-N 2.99Å; K49-L51 PolarHBondContact O-N 3.39Å; K49-N52 PolarHBondContact O-N 3.45Å; K49-E53 WeakPolarHBondContact CE-OE1 3.33Å; K49-E53 HydrophobicContact CG-CG 4.48Å; K49-E53 IonicContact NZ-OE1 2.72Å; K49-E53 WeakPolarHBondContact O-CB 3.26Å; K49-E53 WeakPolarHBondContact O-CG 3.36Å; K49-E53 PolarHBondContact O-N 3.39Å
50T94.4Very high90.9Very high0 Ų040.1 Ų40.10%021%0.209CC..Hα-helixtrans-61-47.1179.2-54.80000111.7L20 C46 I47 Q48 E53 W54 C72 V74L20-T50 HydrophobicContact CD1-CG2 4.38Å; L20-T50 HydrophobicContact CD2-CG2 4Å; L20-T50 HydrophobicContact CG-CG2 3.81Å; C46-T50 WeakPolarHBondContact O-CB 3.5Å; C46-T50 PolarHBondContact O-N 2.86Å; C46-T50 PolarHBondContact O-OG1 3.42Å; I47-T50 PolarHBondContact O-N 3.44Å; Q48-T50 VanDerWaalsContact C-N 3.31Å; Q48-T50 PolarHBondContact O-N 3.49Å; T50-E53 PolarHBondContact O-N 2.81Å; T50-W54 VanDerWaalsContact O-CB 3.23Å; T50-W54 WeakPolarHBondContact O-CB 3.32Å; T50-W54 PolarHBondContact O-N 3.15Å; T50-C72 WeakPolarHBondContact CG2-O 3.42Å; T50-V74 HydrophobicContact CG2-CG2 4.03Å
51L94.5Very high90.9Very high0 Ų042 Ų420%022%0.217CC..Hα-helixtrans-66.4-42.4179.2-69.4167.4000112.5L20 I47 Q48 K49 S55 C72 L230 I234L20-L51 HydrophobicContact CD1-CD1 4.41Å; L20-L51 HydrophobicContact CD1-CD2 4.17Å; L20-L51 HydrophobicContact CD1-CG 3.95Å; I47-L51 HydrophobicContact CG2-CD1 3.73Å; I47-L51 HydrophobicContact CG2-CG 4.5Å; I47-L51 WeakPolarHBondContact O-CG 3.5Å; I47-L51 PolarHBondContact O-N 2.99Å; Q48-L51 PolarHBondContact O-N 2.93Å; K49-L51 PolarHBondContact O-N 3.39Å; L51-S55 VanDerWaalsContact O-CB 3.26Å; L51-S55 WeakPolarHBondContact O-CB 3.3Å; L51-S55 PolarHBondContact O-N 3.46Å; L51-S55 PolarHBondContact O-OG 2.88Å; L51-C72 HydrophobicContact CD2-CB 4.35Å; L51-L230 HydrophobicContact CD1-CD1 3.65Å; L51-L230 HydrophobicContact CD2-CD1 4.05Å; L51-I234 HydrophobicContact CD2-CD1 4.48Å
52N92.1Very high90.8Very high75 Ų7540.6 Ų40.640%0.40121%0.212SC..Hα-helixtrans-62.4-44.7177.2-75-41.5000111.7Q48 K49 S55 S56 S233Q48-N52 VanDerWaalsContact O-CB 3.31Å; Q48-N52 WeakPolarHBondContact O-CB 3.22Å; Q48-N52 PolarHBondContact O-N 2.95Å; Q48-N52 PolarHBondContact O-ND2 2.89Å; K49-N52 PolarHBondContact O-N 3.45Å; N52-S55 PolarHBondContact O-OG 3.33Å; N52-S56 PolarHBondContact O-N 3.35Å; N52-S233 PolarHBondContact OD1-O 3.46Å
53E91.2Very high90.6Very high38 Ų3841.5 Ų41.518%0.17822%0.219CC..Hα-helixtrans-68.2-46.4177.4-72.4-169.8-159.100112.2K49 T50 S55 S56 Q57 V74 H76K49-E53 WeakPolarHBondContact CE-OE1 3.33Å; K49-E53 HydrophobicContact CG-CG 4.48Å; K49-E53 IonicContact NZ-OE1 2.72Å; K49-E53 WeakPolarHBondContact O-CB 3.26Å; K49-E53 WeakPolarHBondContact O-CG 3.36Å; K49-E53 PolarHBondContact O-N 3.39Å; T50-E53 PolarHBondContact O-N 2.81Å; E53-S55 VanDerWaalsContact C-N 3.35Å; E53-S55 PolarHBondContact O-N 2.81Å; E53-S56 PolarHBondContact O-N 3.34Å; E53-S56 VanDerWaalsContact O-N 3.16Å; E53-S56 PolarHBondContact O-OG 3.18Å; E53-Q57 PolarHBondContact O-N 3.22Å; E53-V74 WeakPolarHBondContact OE2-CG1 3.42Å; E53-H76 IonicContact OE1-CE1 3.73Å; E53-H76 IonicContact OE2-CE1 3.15Å; E53-H76 PolarHBondContact OE2-CE1 3.05Å; E53-H76 IonicContact OE2-ND1 2.75Å
54W92.7Very high90.3Very high15 Ų1550.7 Ų50.76%0.05725%0.254CS..Hα-helixtrans-56-49.2176166.778.9000111.5A8 L11 L12 T50 S56 Q57 I58 L70 E71 C72 I234A8-W54 HydrophobicContact CB-CH2 4.3Å; A8-W54 HydrophobicContact CB-CZ3 3.9Å; L11-W54 HydrophobicContact CD1-CH2 4.37Å; L11-W54 HydrophobicContact CD1-CZ2 4.08Å; L12-W54 HydrophobicContact CD1-CZ3 4.46Å; L12-W54 HydrophobicContact CG-CH2 4.48Å; T50-W54 VanDerWaalsContact O-CB 3.23Å; T50-W54 WeakPolarHBondContact O-CB 3.32Å; T50-W54 PolarHBondContact O-N 3.15Å; W54-S56 PolarHBondContact O-N 3.21Å; W54-Q57 CarbonylContact O-C 3.39Å; W54-Q57 PolarHBondContact O-N 3.27Å; W54-I58 HydrophobicContact CD2-CG1 4.5Å; W54-I58 HydrophobicContact CH2-CD1 4.26Å; W54-I58 HydrophobicContact CZ2-CD1 4.37Å; W54-I58 HydrophobicContact CZ2-CG1 4.34Å; W54-I58 HydrophobicContact CZ3-CD1 4.45Å; W54-I58 WeakPolarHBondContact O-CG1 3.46Å; W54-I58 PolarHBondContact O-N 2.83Å; W54-L70 HydrophobicContact CH2-CD1 4.39Å; W54-L70 HydrophobicContact CZ2-CD2 4.47Å; W54-E71 PolarHBondContact NE1-O 2.81Å; W54-C72 HydrophobicContact CB-CB 4.32Å; W54-C72 HydrophobicContact CD2-CB 4.23Å; W54-C72 HydrophobicContact CG-CB 4.01Å; W54-I234 HydrophobicContact CE3-CD1 4.3Å; W54-I234 HydrophobicContact CZ3-CD1 3.79Å
55S92.1Very high90.2Very high14 Ų1453.5 Ų53.510%0.09827%0.27CS..Hα-helixtrans-62-30.4-179.363.60000113D4 L51 N52 E53 Q57D4-S55 WeakPolarHBondContact CB-O 3.36Å; L51-S55 VanDerWaalsContact O-CB 3.26Å; L51-S55 WeakPolarHBondContact O-CB 3.3Å; L51-S55 PolarHBondContact O-N 3.46Å; L51-S55 PolarHBondContact O-OG 2.88Å; N52-S55 PolarHBondContact O-OG 3.33Å; E53-S55 VanDerWaalsContact C-N 3.35Å; E53-S55 PolarHBondContact O-N 2.81Å; S55-Q57 VanDerWaalsContact C-N 3.29Å; S55-Q57 PolarHBondContact O-N 2.78Å
56S90.1Very high90.2Very high65 Ų6554.7 Ų54.746%0.45527%0.274SS..Hα-helixtrans-76.4-14.1175.374.40000114.2N52 E53 W54N52-S56 PolarHBondContact O-N 3.35Å; E53-S56 PolarHBondContact O-N 3.34Å; E53-S56 VanDerWaalsContact O-N 3.16Å; E53-S56 PolarHBondContact O-OG 3.18Å; W54-S56 PolarHBondContact O-N 3.21Å
57Q88.3Confident90.2Very high113 Ų11356.4 Ų56.453%0.52829%0.285SS..THydrogen-bonded Turntrans-126.225.5-173.6-63.9175.434.100112.3E53 W54 S55 N59E53-Q57 PolarHBondContact O-N 3.22Å; W54-Q57 CarbonylContact O-C 3.39Å; W54-Q57 PolarHBondContact O-N 3.27Å; S55-Q57 VanDerWaalsContact C-N 3.29Å; S55-Q57 PolarHBondContact O-N 2.78Å; Q57-N59 PolarHBondContact O-N 2.93Å
58I88.4Confident90.1Very high27 Ų2760.7 Ų60.714%0.13831%0.308CS..  trans-59.4123.2-178.7-68.7172.8000110A7 A8 L11 W54 P60 V63A7-I58 HydrophobicContact CB-CD1 3.98Å; A7-I58 HydrophobicContact CB-CG2 4.36Å; A8-I58 HydrophobicContact CB-CD1 3.53Å; A8-I58 VanDerWaalsContact N-CD1 3.26Å; L11-I58 HydrophobicContact CD1-CD1 4.18Å; L11-I58 HydrophobicContact CD1-CG2 3.76Å; W54-I58 HydrophobicContact CD2-CG1 4.5Å; W54-I58 HydrophobicContact CH2-CD1 4.26Å; W54-I58 HydrophobicContact CZ2-CD1 4.37Å; W54-I58 HydrophobicContact CZ2-CG1 4.34Å; W54-I58 HydrophobicContact CZ3-CD1 4.45Å; W54-I58 WeakPolarHBondContact O-CG1 3.46Å; W54-I58 PolarHBondContact O-N 2.83Å; I58-P60 WeakPolarHBondContact O-CD 3.5Å; I58-V63 HydrophobicContact CG2-CG2 3.81Å
59N84.9Confident90.2Very high79 Ų7962.6 Ų62.642%0.42232%0.32SS..  trans-63.4125.8172.5-177.3-16.3000109.6Q57 D61 L62Q57-N59 PolarHBondContact O-N 2.93Å; N59-D61 PolarHBondContact O-N 3.13Å; N59-D61 VanDerWaalsContact O-N 3.09Å; N59-D61 PolarHBondContact OD1-N 2.79Å; N59-L62 HydrophobicContact CB-CD1 4.1Å; N59-L62 HydrophobicContact CB-CG 4.19Å; N59-L62 WeakPolarHBondContact O-CB 3.46Å; N59-L62 PolarHBondContact O-N 3.42Å
60P84.9Confident90.3Very high88 Ų8860.1 Ų60.157%0.57131%0.31SS*.Hα-helixtrans-52-29.3175.8-28.635.8000115I58 V63I58-P60 WeakPolarHBondContact O-CD 3.5Å; P60-V63 PolarHBondContact O-N 3.06Å
61D87Confident90.3Very high74 Ų7464.9 Ų64.940%0.39633%0.332SS..Hα-helixtrans-67.7-34.7179.2-65.8-31.6000112.3N59 V63 R64 E65N59-D61 PolarHBondContact O-N 3.13Å; N59-D61 VanDerWaalsContact O-N 3.09Å; N59-D61 PolarHBondContact OD1-N 2.79Å; D61-V63 PolarHBondContact O-N 3.29Å; D61-R64 WeakPolarHBondContact O-CB 3.37Å; D61-R64 PolarHBondContact O-N 3.47Å; D61-R64 IonicContact OD1-NH1 2.73Å; D61-E65 WeakPolarHBondContact O-CG 3.38Å; D61-E65 PolarHBondContact O-N 2.97Å
62L85.8Confident90.3Very high48 Ų4864.9 Ų64.925%0.25133%0.332SS..Hα-helixtrans-59.2-37.7175.5-68.1170.8000111.6L11 N59 R64 E65 F66 P67L11-L62 HydrophobicContact CD1-CB 4.18Å; L11-L62 HydrophobicContact CD2-CB 4.26Å; L11-L62 VanDerWaalsContact CD2-O 3.27Å; L11-L62 WeakPolarHBondContact CD2-O 3.25Å; N59-L62 HydrophobicContact CB-CD1 4.1Å; N59-L62 HydrophobicContact CB-CG 4.19Å; N59-L62 WeakPolarHBondContact O-CB 3.46Å; N59-L62 PolarHBondContact O-N 3.42Å; L62-R64 PolarHBondContact O-N 3.44Å; L62-E65 PolarHBondContact O-N 2.76Å; L62-F66 PolarHBondContact O-N 2.83Å; L62-P67 HydrophobicContact CD2-CG 3.96Å
63V85.7Confident90.3Very high49 Ų4962.9 Ų62.930%0.29732%0.323SS..Hα-helixtrans-71.2-19.2179.8-173.90000111.8A7 L11 I58 P60 D61 F66A7-V63 HydrophobicContact CB-CG2 3.9Å; L11-V63 HydrophobicContact CD1-CG2 4.37Å; I58-V63 HydrophobicContact CG2-CG2 3.81Å; P60-V63 PolarHBondContact O-N 3.06Å; D61-V63 PolarHBondContact O-N 3.29Å; V63-F66 WeakPolarHBondContact O-CE2 3.44Å; V63-F66 WeakPolarHBondContact O-CZ 3.36Å
64R86.9Confident90Very high195 Ų19561.1 Ų61.174%0.73632%0.315SS*.Hα-helixtrans-86.5-39.5173.9-64.1174.4175.9171.8-3.3111.5D61 L62D61-R64 WeakPolarHBondContact O-CB 3.37Å; D61-R64 PolarHBondContact O-N 3.47Å; D61-R64 IonicContact OD1-NH1 2.73Å; L62-R64 PolarHBondContact O-N 3.44Å
65E90.4Very high89.5Confident140 Ų14063.9 Ų63.965%0.65434%0.336SS*.Hα-helixtrans-82.8-34.4-173.5-68.2177.6-177.300113.3D61 L62D61-E65 WeakPolarHBondContact O-CG 3.38Å; D61-E65 PolarHBondContact O-N 2.97Å; L62-E65 PolarHBondContact O-N 2.76Å
66F89.8Confident89Confident57 Ų5768.6 Ų68.625%0.2536%0.356CS..  trans47.763.8-171.9-69-74.2000112.5A10 L11 R14 L62 V63A10-F66 HydrophobicContact CB-CE1 4.16Å; L11-F66 HydrophobicContact CD2-CD1 3.92Å; L11-F66 HydrophobicContact CD2-CE1 4.29Å; R14-F66 HydrophobicContact CB-CD1 4.35Å; R14-F66 VanDerWaalsContact CD-CD1 3.47Å; R14-F66 HydrophobicContact CG-CD1 4.36Å; L62-F66 PolarHBondContact O-N 2.83Å; V63-F66 WeakPolarHBondContact O-CE2 3.44Å; V63-F66 WeakPolarHBondContact O-CZ 3.36Å
67P93.6Very high88.7Confident35 Ų3565.5 Ų65.523%0.22734%0.335CS..  trans-63.1148.1-177.629.5-36.5000111.3L62 V69 L70L62-P67 HydrophobicContact CD2-CG 3.96Å; P67-V69 PolarHBondContact O-N 3.19Å; P67-L70 HydrophobicContact CG-CD2 4Å
68D94.1Very high88.5Confident91 Ų9162.5 Ų62.549%0.48732%0.324SS..SBendtrans-66-25.5174.2-80.8-40.4000112R16 T17R16-D68 PolarHBondContact N-O 3Å; R16-D68 IonicContact NE-OD1 3.95Å; R16-D68 PolarHBondContact NE-OD1 2.88Å; T17-D68 PolarHBondContact N-O 3.32Å
69V95.1Very high88.5Confident59 Ų5964.9 Ų64.936%0.35834%0.335SS..EExtended strand (participates in β ladder)trans-113.7124.2178.4-173.50000109.6T17 P67T17-V69 HydrophobicContact CG2-CG1 4.27Å; T17-V69 WeakPolarHBondContact O-CA 3.15Å; P67-V69 PolarHBondContact O-N 3.19Å
70L95.2Very high89Confident1 Ų167.4 Ų67.41%0.00534%0.342CS..EExtended strand (participates in β ladder)trans-102.6128.6173-67.2173.8000111L11 L12 A15 T17 L18 H19 W54 P67L11-L70 HydrophobicContact CB-CD1 3.93Å; L11-L70 HydrophobicContact CB-CD2 4.01Å; L11-L70 HydrophobicContact CD1-CD2 4.44Å; L11-L70 HydrophobicContact CD2-CD2 4.3Å; L11-L70 HydrophobicContact CG-CD2 4.49Å; L12-L70 HydrophobicContact CD2-CD1 3.89Å; L12-L70 HydrophobicContact CG-CD1 4.18Å; A15-L70 HydrophobicContact CB-CB 4.45Å; A15-L70 HydrophobicContact CB-CD1 3.37Å; A15-L70 HydrophobicContact CB-CD2 4.49Å; A15-L70 HydrophobicContact CB-CG 3.48Å; A15-L70 VanDerWaalsContact CB-CG 3.48Å; T17-L70 PolarHBondContact O-N 3.22Å; L18-L70 HydrophobicContact CD1-CB 4.08Å; H19-L70 PolarHBondContact N-O 3.45Å; W54-L70 HydrophobicContact CH2-CD1 4.39Å; W54-L70 HydrophobicContact CZ2-CD2 4.47Å; P67-L70 HydrophobicContact CG-CD2 4Å
71E94.3Very high89.6Confident100 Ų10064 Ų6447%0.46732%0.319SS..EExtended strand (participates in β ladder)trans-99.8111.3173-61.7-67.8165.900109.1H19 W54H19-E71 WeakPolarHBondContact CB-OE2 3.37Å; H19-E71 IonicContact CE1-OE1 3.75Å; H19-E71 IonicContact CG-OE1 2.65Å; H19-E71 IonicContact CG-OE2 2.72Å; H19-E71 IonicContact ND1-OE1 2.71Å; H19-E71 PolarHBondContact ND1-OE1 3.15Å; H19-E71 IonicContact ND1-OE2 3.07Å; W54-E71 PolarHBondContact NE1-O 2.81Å
72C94.5Very high89.9Confident0 Ų064 Ų640%032%0.318CS..EExtended strand (participates in β ladder)trans-106.8106.7177.7-67.30000109.9L18 H19 L20 Q21 T50 L51 W54L18-C72 HydrophobicContact CD1-CB 4.18Å; L18-C72 WeakPolarHBondContact CD1-SG 3.47Å; H19-C72 PolarHBondContact O-N 2.84Å; L20-C72 WeakPolarHBondContact CA-O 3.12Å; Q21-C72 PolarHBondContact N-O 2.74Å; T50-C72 WeakPolarHBondContact CG2-O 3.42Å; L51-C72 HydrophobicContact CD2-CB 4.35Å; W54-C72 HydrophobicContact CB-CB 4.32Å; W54-C72 HydrophobicContact CD2-CB 4.23Å; W54-C72 HydrophobicContact CG-CB 4.01Å
73T91.3Very high90.4Very high33 Ų3366.5 Ų66.520%0.20234%0.338CS..EExtended strand (participates in β ladder)trans-131.1149.1-173.366.40000112.4Q21 S75Q21-T73 HydrophobicContact CB-CG2 4.1Å; Q21-T73 WeakPolarHBondContact O-CA 3.49Å; T73-S75 PolarHBondContact O-N 2.95Å
74V85.6Confident90.9Very high1 Ų170.9 Ų70.91%0.00636%0.359CS..  trans-85.787.2163.71790000109.1Q21 W28 T50 E53 H76 A77 V78Q21-V74 PolarHBondContact O-N 2.88Å; W28-V74 HydrophobicContact CZ2-CB 4.46Å; W28-V74 HydrophobicContact CZ2-CG2 3.7Å; T50-V74 HydrophobicContact CG2-CG2 4.03Å; E53-V74 WeakPolarHBondContact OE2-CG1 3.42Å; V74-H76 VanDerWaalsContact C-N 3.25Å; V74-H76 WeakPolarHBondContact CG1-CE1 3.5Å; V74-H76 PolarHBondContact O-N 2.94Å; V74-H76 VanDerWaalsContact O-N 3.09Å; V74-A77 HydrophobicContact CB-CB 4.05Å; V74-A77 HydrophobicContact CG1-CB 3.56Å; V74-A77 PolarHBondContact O-N 3.39Å; V74-V78 WeakPolarHBondContact O-CG2 3.45Å; V74-V78 PolarHBondContact O-N 3.48Å
75S80.8Confident91.2Very high73 Ų7364.8 Ų64.851%0.5134%0.339SS..G310 helixtrans-52.2-38.8-167.7-53.30000114.4T73 A77T73-S75 PolarHBondContact O-N 2.95Å; S75-A77 VanDerWaalsContact C-N 3.33Å; S75-A77 PolarHBondContact O-N 3.45Å
76H82.8Confident91.5Very high113 Ų11360.3 Ų60.352%0.52332%0.316SS..G310 helixtrans-78-15.2-179.370.6-93.4000114.1E53 V74E53-H76 IonicContact OE1-CE1 3.73Å; E53-H76 IonicContact OE2-CE1 3.15Å; E53-H76 PolarHBondContact OE2-CE1 3.05Å; E53-H76 IonicContact OE2-ND1 2.75Å; V74-H76 VanDerWaalsContact C-N 3.25Å; V74-H76 WeakPolarHBondContact CG1-CE1 3.5Å; V74-H76 PolarHBondContact O-N 2.94Å; V74-H76 VanDerWaalsContact O-N 3.09Å
77A84.3Confident91.8Very high0 Ų065.5 Ų65.50%034%0.341CS..G310 helixtrans-96-10.9177.400000112.5N24 N27 W28 V74 S75 E79N24-A77 WeakPolarHBondContact CB-O 3.39Å; N24-A77 PolarHBondContact N-O 3.25Å; N27-A77 HydrophobicContact CB-CB 4.48Å; W28-A77 VanDerWaalsContact CD1-CB 3.44Å; V74-A77 HydrophobicContact CB-CB 4.05Å; V74-A77 HydrophobicContact CG1-CB 3.56Å; V74-A77 PolarHBondContact O-N 3.39Å; S75-A77 VanDerWaalsContact C-N 3.33Å; S75-A77 PolarHBondContact O-N 3.45Å; A77-E79 PolarHBondContact O-N 3.06Å
78V84Confident92Very high49 Ų4969 Ų6930%0.29736%0.355SS..  trans-71.9120.7176.7-178.10000109.4Q21 V74Q21-V78 VanDerWaalsContact NE2-CG2 3.34Å; V74-V78 WeakPolarHBondContact O-CG2 3.45Å; V74-V78 PolarHBondContact O-N 3.48Å
79E88.6Confident92.1Very high78 Ų7864.9 Ų64.936%0.36433%0.333SS..  trans-132.6117.6179-173.5-175.5169.800108.5N24 N27 A77N24-E79 PolarHBondContact ND2-OE2 3.12Å; N27-E79 PolarHBondContact ND2-OE2 3.48Å; A77-E79 PolarHBondContact O-N 3.06Å
80K94.9Very high92.3Very high131 Ų13166.1 Ų66.157%0.5733%0.333SS*.PPolyproline II helixtrans-84.9145.2173.9-70.3-172.6176-172.30109.8N82 S115K80-N82 PolarHBondContact O-N 2.89Å; K80-S115 WeakPolarHBondContact CE-O 3.25Å
81I96Very high92.4Very high18 Ų1866.1 Ų66.19%0.09233%0.333CS..PPolyproline II helixtrans-69.9127.9174.8-60.5177.7000108.1P83 R86 M89 V91 L117 V119 V252I81-P83 WeakPolarHBondContact O-CD 3.45Å; I81-R86 HydrophobicContact CG2-CB 4.4Å; I81-M89 HydrophobicContact CG2-CG 4.04Å; I81-V91 HydrophobicContact CD1-CG2 3.5Å; I81-V91 VanDerWaalsContact CD1-CG2 3.5Å; I81-L117 PolarHBondContact N-O 2.94Å; I81-V119 HydrophobicContact CB-CG1 4.08Å; I81-V119 HydrophobicContact CD1-CG1 3.75Å; I81-V119 HydrophobicContact CG1-CG1 4.32Å; I81-V252 HydrophobicContact CD1-CG1 3.71Å; I81-V252 HydrophobicContact CD1-CG2 3.98Å; I81-V252 HydrophobicContact CG1-CG1 4.43Å
82N95Very high92.6Very high72 Ų7262.6 Ų62.639%0.38532%0.319SS..PPolyproline II helixtrans-61.8126.9172.3-177.7-12.6000108.7K80 D84 E85 R86K80-N82 PolarHBondContact O-N 2.89Å; N82-D84 PolarHBondContact O-N 3.19Å; N82-D84 VanDerWaalsContact O-N 3.14Å; N82-D84 PolarHBondContact OD1-N 3.32Å; N82-E85 HydrophobicContact CB-CB 4.36Å; N82-E85 HydrophobicContact CB-CG 4.12Å; N82-E85 PolarHBondContact O-N 3.03Å; N82-R86 PolarHBondContact O-N 2.9Å
83P95.6Very high92.8Very high102 Ų10262.9 Ų62.966%0.66232%0.322SS*.G310 helixtrans-48.3-37.8174.8-30.436.4000114.1I81 E85 R86I81-P83 WeakPolarHBondContact O-CD 3.45Å; P83-E85 PolarHBondContact O-N 2.92Å; P83-R86 WeakPolarHBondContact O-CB 3.32Å; P83-R86 PolarHBondContact O-N 2.72Å
84D95.7Very high93.1Very high140 Ų14061.7 Ų61.775%0.74931%0.314SS*.G310 helixtrans-66.7-25.3180-60.9-28.3000112.8N82N82-D84 PolarHBondContact O-N 3.19Å; N82-D84 VanDerWaalsContact O-N 3.14Å; N82-D84 PolarHBondContact OD1-N 3.32Å
85E94.5Very high93.6Very high67 Ų6761.7 Ų61.731%0.31331%0.314SS..G310 helixtrans-97.7-7.2179.2-61.1-177.9155.400112.7N82 P83 E87 E88 M89 K261N82-E85 HydrophobicContact CB-CB 4.36Å; N82-E85 HydrophobicContact CB-CG 4.12Å; N82-E85 PolarHBondContact O-N 3.03Å; P83-E85 PolarHBondContact O-N 2.92Å; E85-E87 VanDerWaalsContact C-N 3.26Å; E85-E87 PolarHBondContact O-N 2.9Å; E85-E88 WeakPolarHBondContact O-CB 3.27Å; E85-E88 PolarHBondContact O-N 2.93Å; E85-M89 HydrophobicContact CB-CE 4.01Å; E85-M89 WeakPolarHBondContact O-CG 3.32Å; E85-M89 PolarHBondContact O-N 3.04Å; E85-K261 IonicContact OE1-NZ 3.63Å; E85-K261 IonicContact OE2-NZ 3.06Å; E85-K261 PolarHBondContact OE2-NZ 2.93Å
86R96.4Very high94.3Very high46 Ų4659.1 Ų59.117%0.17429%0.294CS..G310 helixtrans-56.4-39.5-170172.358.2-17296.4-7.8112.6I81 N82 P83 E88 M89 Q121 D123I81-R86 HydrophobicContact CG2-CB 4.4Å; N82-R86 PolarHBondContact O-N 2.9Å; P83-R86 WeakPolarHBondContact O-CB 3.32Å; P83-R86 PolarHBondContact O-N 2.72Å; R86-E88 PolarHBondContact O-N 2.88Å; R86-M89 PolarHBondContact NH1-O 2.83Å; R86-M89 PolarHBondContact O-N 2.71Å; R86-M89 VanDerWaalsContact O-N 3.13Å; R86-Q121 PolarHBondContact NH2-O 3.3Å; R86-D123 IonicContact CZ-OD2 2.76Å; R86-D123 IonicContact NH1-OD1 2.78Å; R86-D123 IonicContact NH1-OD2 3.35Å; R86-D123 PolarHBondContact NH1-OD2 3.5Å; R86-D123 IonicContact NH2-OD1 2.7Å; R86-D123 IonicContact NH2-OD2 3.08Å; R86-D123 PolarHBondContact NH2-OD2 3.49Å
87E96Very high94.6Very high166 Ų16654.3 Ų54.378%0.77627%0.272SS*.G310 helixtrans-65.3-30.5-178.6-64.8-169.5166.400112.2E85 M89 K255E85-E87 VanDerWaalsContact C-N 3.26Å; E85-E87 PolarHBondContact O-N 2.9Å; E87-M89 VanDerWaalsContact C-N 3.28Å; E87-M89 PolarHBondContact O-N 3.14Å; E87-K255 WeakPolarHBondContact O-CD 3.47Å; E87-K255 PolarHBondContact O-NZ 3.42Å
88E96.6Very high94.7Very high110 Ų11055.8 Ų55.851%0.51428%0.281SS..G310 helixtrans-78.3-13177.1-55.9-172.8-178.500113E85 R86 K255E85-E88 WeakPolarHBondContact O-CB 3.27Å; E85-E88 PolarHBondContact O-N 2.93Å; R86-E88 PolarHBondContact O-N 2.88Å; E88-K255 VanDerWaalsContact O-CB 3.31Å; E88-K255 WeakPolarHBondContact O-CB 3.32Å; E88-K255 VanDerWaalsContact O-CG 3.32Å; E88-K255 WeakPolarHBondContact O-CG 3.39Å; E88-K255 PolarHBondContact O-N 3.06Å
89M97.5Very high94.3Very high4 Ų453.9 Ų53.92%0.0227%0.27CS..EExtended strand (participates in β ladder)trans-97.9138.9-177.7-57.9-58.6153.100111.4I81 E85 R86 E87 V91 V252 I253 V254 K255 K261I81-M89 HydrophobicContact CG2-CG 4.04Å; E85-M89 HydrophobicContact CB-CE 4.01Å; E85-M89 WeakPolarHBondContact O-CG 3.32Å; E85-M89 PolarHBondContact O-N 3.04Å; R86-M89 PolarHBondContact NH1-O 2.83Å; R86-M89 PolarHBondContact O-N 2.71Å; R86-M89 VanDerWaalsContact O-N 3.13Å; E87-M89 VanDerWaalsContact C-N 3.28Å; E87-M89 PolarHBondContact O-N 3.14Å; M89-V91 HydrophobicContact CB-CG2 4.45Å; M89-V252 HydrophobicContact CB-CG1 3.98Å; M89-V252 HydrophobicContact CG-CG1 4.16Å; M89-V252 HydrophobicContact SD-CG1 4.11Å; M89-I253 CarbonylContact C-O 3.56Å; M89-I253 WeakPolarHBondContact CA-O 3.49Å; M89-V254 HydrophobicContact CE-CG2 4.09Å; M89-V254 HydrophobicContact SD-CB 4.48Å; M89-V254 HydrophobicContact SD-CG2 3.9Å; M89-K255 WeakPolarHBondContact O-CE 2.87Å; M89-K255 PolarHBondContact O-NZ 3.09Å; M89-K261 HydrophobicContact CE-CD 3.75Å; M89-K261 HydrophobicContact SD-CD 3.84Å
90K97.9Very high93.1Very high85 Ų8554.6 Ų54.637%0.3728%0.284SS..EExtended strand (participates in β ladder)trans-102.9114.1163.4-178.8177.6-179.3176.30108.2D123 V252 I253 K255K90-D123 HydrophobicContact CG-CB 4.17Å; K90-V252 CarbonylContact O-C 3.6Å; K90-V252 WeakPolarHBondContact O-CA 3.1Å; K90-I253 HydrophobicContact CB-CB 4.46Å; K90-I253 PolarHBondContact N-O 3.48Å; K90-I253 PolarHBondContact O-N 3.44Å; K90-K255 HydrophobicContact CB-CG 4.02Å
91V98.4Very high91.3Very high0 Ų055.1 Ų55.10%029%0.293CS..EExtended strand (participates in β ladder)trans-104.4110.5-179.9-171.70000109I81 M89 L117 V119 L122 D123 S124 V252I81-V91 HydrophobicContact CD1-CG2 3.5Å; I81-V91 VanDerWaalsContact CD1-CG2 3.5Å; M89-V91 HydrophobicContact CB-CG2 4.45Å; V91-L117 HydrophobicContact CG1-CD1 3.55Å; V91-V119 HydrophobicContact CG2-CG1 4.48Å; V91-L122 HydrophobicContact CB-CD2 4.48Å; V91-L122 HydrophobicContact CG1-CD2 3.62Å; V91-D123 PolarHBondContact N-OD2 3.44Å; V91-D123 WeakPolarHBondContact O-CA 3.44Å; V91-D123 WeakPolarHBondContact O-CB 3.32Å; V91-D123 PolarHBondContact O-N 2.84Å; V91-S124 PolarHBondContact O-N 2.96Å; V91-V252 HydrophobicContact CG1-CG2 4.35Å; V91-V252 HydrophobicContact CG2-CG1 4.38Å; V91-V252 HydrophobicContact CG2-CG2 4.44Å
92S98.2Very high89.8Confident26 Ų2656.2 Ų56.218%0.18230%0.302CS..EExtended strand (participates in β ladder)trans-120.8144.5-177.4-65.30000110.8S124 Y250 S251S92-S124 CarbonylContact C-O 3.46Å; S92-S124 VanDerWaalsContact CA-O 3.32Å; S92-S124 WeakPolarHBondContact CA-O 3.27Å; S92-S124 VanDerWaalsContact CB-OG 3.27Å; S92-S124 WeakPolarHBondContact CB-OG 3.46Å; S92-S124 PolarHBondContact OG-OG 3.26Å; S92-Y250 CarbonylContact O-C 3.6Å; S92-Y250 WeakPolarHBondContact O-CA 3.34Å; S92-S251 PolarHBondContact N-O 3.34Å; S92-S251 PolarHBondContact O-N 3.34Å
93A98.4Very high88.3Confident6 Ų655.4 Ų55.45%0.0530%0.302CS..EExtended strand (participates in β ladder)trans-131148.3175.500000111.8L122 S124 V125 I126 L248 R249A93-L122 HydrophobicContact CB-CD1 4.19Å; A93-S124 PolarHBondContact N-O 2.88Å; A93-V125 HydrophobicContact CB-CG2 4.41Å; A93-V125 CarbonylContact O-C 3.57Å; A93-V125 WeakPolarHBondContact O-CA 3.28Å; A93-I126 PolarHBondContact O-N 2.83Å; A93-L248 HydrophobicContact CB-CD1 4.02Å; A93-L248 HydrophobicContact CB-CD2 3.78Å; A93-L248 HydrophobicContact CB-CG 3.94Å; A93-R249 CarbonylContact C-O 3.6Å; A93-R249 VanDerWaalsContact CA-O 3.3Å; A93-R249 WeakPolarHBondContact CA-O 3.36Å
94K97.8Very high87.6Confident9 Ų954 Ų544%0.03930%0.295CS..EExtended strand (participates in β ladder)trans-117122.7165.4-172169-177.1171.50109F96 I126 S165 H214 D216 L248 R249K94-F96 HydrophobicContact CB-CE2 4.07Å; K94-F96 HydrophobicContact CB-CZ 4.41Å; K94-F96 HydrophobicContact CD-CE1 4.21Å; K94-F96 HydrophobicContact CD-CE2 4.12Å; K94-F96 HydrophobicContact CD-CZ 3.6Å; K94-F96 HydrophobicContact CG-CD2 4.5Å; K94-F96 HydrophobicContact CG-CE1 4.44Å; K94-F96 HydrophobicContact CG-CE2 3.8Å; K94-F96 HydrophobicContact CG-CZ 3.78Å; K94-I126 CarbonylContact C-O 3.48Å; K94-I126 VanDerWaalsContact CA-O 3.26Å; K94-I126 WeakPolarHBondContact CA-O 3.3Å; K94-I126 HydrophobicContact CD-CG2 4.46Å; K94-I126 HydrophobicContact CG-CB 4.34Å; K94-I126 HydrophobicContact CG-CG2 4.29Å; K94-S165 PolarHBondContact NZ-OG 3.27Å; K94-H214 PolarHBondContact NZ-CE1 3.48Å; K94-H214 PolarHBondContact NZ-ND1 3Å; K94-H214 VanDerWaalsContact NZ-ND1 3.2Å; K94-D216 WeakPolarHBondContact CE-OD2 3.11Å; K94-D216 IonicContact NZ-OD2 3.57Å; K94-D216 PolarHBondContact NZ-OD2 3.24Å; K94-L248 WeakPolarHBondContact O-CA 3.31Å; K94-R249 PolarHBondContact N-O 3.5Å; K94-R249 PolarHBondContact O-N 3.18Å
95L96.5Very high87.1Confident0 Ų047.5 Ų47.50%026%0.261CS..EExtended strand (participates in β ladder)trans-98.1127-178.5179.862000109.9I97 T106 A109 I126 A128 W246 L248L95-I97 HydrophobicContact CD1-CD1 4.36Å; L95-I97 HydrophobicContact CD2-CD1 3.96Å; L95-I97 HydrophobicContact CG-CD1 3.99Å; L95-T106 HydrophobicContact CD2-CG2 3.96Å; L95-A109 HydrophobicContact CD1-CB 3.61Å; L95-I126 PolarHBondContact N-O 3.1Å; L95-A128 WeakPolarHBondContact O-CB 3.33Å; L95-A128 PolarHBondContact O-N 2.73Å; L95-W246 HydrophobicContact CD1-CB 4.05Å; L95-W246 HydrophobicContact CD1-CE3 4.48Å; L95-L248 HydrophobicContact CD1-CB 4.43Å
96F94.6Very high87.1Confident20 Ų2044.3 Ų44.39%0.08825%0.246CC..EExtended strand (participates in β ladder)trans-113.7116.4173.8-56.6-95.4000107.7K94 A128 D216 L220 W246 L247 R249K94-F96 HydrophobicContact CB-CE2 4.07Å; K94-F96 HydrophobicContact CB-CZ 4.41Å; K94-F96 HydrophobicContact CD-CE1 4.21Å; K94-F96 HydrophobicContact CD-CE2 4.12Å; K94-F96 HydrophobicContact CD-CZ 3.6Å; K94-F96 HydrophobicContact CG-CD2 4.5Å; K94-F96 HydrophobicContact CG-CE1 4.44Å; K94-F96 HydrophobicContact CG-CE2 3.8Å; K94-F96 HydrophobicContact CG-CZ 3.78Å; F96-A128 HydrophobicContact CD1-CB 3.55Å; F96-A128 HydrophobicContact CE1-CB 3.93Å; F96-A128 HydrophobicContact CG-CB 4.21Å; F96-D216 HydrophobicContact CE1-CB 4.47Å; F96-L220 HydrophobicContact CD1-CB 4.2Å; F96-L220 HydrophobicContact CD1-CD2 4.16Å; F96-L220 HydrophobicContact CD2-CD2 3.86Å; F96-L220 HydrophobicContact CE1-CB 4.24Å; F96-L220 HydrophobicContact CE1-CD2 3.82Å; F96-L220 HydrophobicContact CE2-CD2 3.5Å; F96-L220 HydrophobicContact CG-CD2 4.17Å; F96-L220 HydrophobicContact CZ-CD2 3.47Å; F96-L220 VanDerWaalsContact CZ-CD2 3.47Å; F96-W246 CarbonylContact O-C 3.57Å; F96-W246 VanDerWaalsContact O-CA 3.3Å; F96-W246 WeakPolarHBondContact O-CA 3.5Å; F96-L247 HydrophobicContact CB-CB 4.26Å; F96-L247 HydrophobicContact CD2-CD2 4.24Å; F96-L247 HydrophobicContact CD2-CG 4.4Å; F96-L247 PolarHBondContact N-O 3.08Å; F96-L247 PolarHBondContact O-N 2.85Å; F96-R249 HydrophobicContact CE2-CB 4.16Å
97I90.7Very high87Confident12 Ų1246.3 Ų46.36%0.06225%0.253CS..EExtended strand (participates in β ladder)trans-81.3133.9171.9-55.2-57.7000107.5L95 G99 I127 P131 Y146 W246L95-I97 HydrophobicContact CD1-CD1 4.36Å; L95-I97 HydrophobicContact CD2-CD1 3.96Å; L95-I97 HydrophobicContact CG-CD1 3.99Å; I97-G99 WeakPolarHBondContact CG2-O 3.26Å; I97-I127 HydrophobicContact CG1-CD1 4.46Å; I97-P131 VanDerWaalsContact O-CD 3.3Å; I97-P131 WeakPolarHBondContact O-CD 3.26Å; I97-Y146 HydrophobicContact CD1-CD1 4.11Å; I97-Y146 HydrophobicContact CD1-CE1 4.01Å; I97-Y146 HydrophobicContact CG1-CD1 4.05Å; I97-Y146 HydrophobicContact CG1-CE1 3.84Å; I97-Y146 HydrophobicContact CG2-CE1 4.06Å; I97-W246 HydrophobicContact CD1-CB 4.33Å
98V85.3Confident87Confident31 Ų3140.1 Ų40.119%0.18823%0.228CC..  trans-118.5-48.4-179-1700000110.6L221 P244 L245V98-L221 WeakPolarHBondContact CG1-O 3.11Å; V98-P244 HydrophobicContact CB-CB 4.3Å; V98-P244 HydrophobicContact CB-CG 4.28Å; V98-P244 HydrophobicContact CG1-CB 4.17Å; V98-P244 HydrophobicContact CG1-CG 3.63Å; V98-L245 PolarHBondContact N-O 2.94Å
99G75.6Confident87Confident8 Ų834.9 Ų34.98%0.08220%0.204CC..SBendtrans-87.9148.8177.800000112.7I97 P244 L245I97-G99 WeakPolarHBondContact CG2-O 3.26Å; G99-P244 PolarHBondContact N-O 3.2Å; G99-L245 PolarHBondContact N-O 3.24Å
100S63.3Low87Confident93 Ų9334.7 Ų34.765%0.6520%0.203SC*.SBendtrans-69.1133.2176.4-35.50000111.5
101N57.9Low86.9Confident142 Ų14233.2 Ų33.276%0.75920%0.199SC*.SBendtrans75.665.1149-52.4-14.9000118.5
102S63.1Low86.8Confident41 Ų4134.3 Ų34.329%0.28721%0.205SC..  trans-155.5130.6137.579.90000112S104 S105S102-S104 WeakPolarHBondContact CB-OG 3.4Å; S102-S104 PolarHBondContact O-N 3.02Å; S102-S104 PolarHBondContact OG-OG 3.31Å; S102-S105 VanDerWaalsContact O-CB 3.26Å; S102-S105 WeakPolarHBondContact O-CB 3.35Å; S102-S105 PolarHBondContact O-N 2.93Å; S102-S105 PolarHBondContact O-OG 3.42Å; S102-S105 PolarHBondContact OG-N 3.18Å; S102-S105 PolarHBondContact OG-OG 3.01Å
103S65.1Low86.8Confident55 Ų5533.1 Ų33.139%0.38520%0.196SC..THydrogen-bonded Turntrans-56.2-27.816648.60000111.6S105 T106S103-S105 PolarHBondContact O-N 3.43Å; S103-S105 VanDerWaalsContact O-N 3.12Å; S103-T106 WeakPolarHBondContact O-CB 3.49Å; S103-T106 PolarHBondContact O-N 3.38Å
104S79.8Confident86.8Confident73 Ų7333 Ų3351%0.5120%0.195SC..Hα-helixtrans-58.2-24.1173.746.20000114.4S102 T106 R107 S108S102-S104 WeakPolarHBondContact CB-OG 3.4Å; S102-S104 PolarHBondContact O-N 3.02Å; S102-S104 PolarHBondContact OG-OG 3.31Å; S104-T106 VanDerWaalsContact C-N 3.32Å; S104-T106 PolarHBondContact O-N 2.95Å; S104-R107 PolarHBondContact O-N 3.14Å; S104-S108 VanDerWaalsContact O-CB 3.32Å; S104-S108 WeakPolarHBondContact O-CB 3.44Å; S104-S108 PolarHBondContact O-N 2.79Å
105S86.4Confident86.7Confident4 Ų436.5 Ų36.53%0.02822%0.22CC..Hα-helixtrans-59.5-41.8173.4-67.50000111.9S102 S103 S108 A109S102-S105 VanDerWaalsContact O-CB 3.26Å; S102-S105 WeakPolarHBondContact O-CB 3.35Å; S102-S105 PolarHBondContact O-N 2.93Å; S102-S105 PolarHBondContact O-OG 3.42Å; S102-S105 PolarHBondContact OG-N 3.18Å; S102-S105 PolarHBondContact OG-OG 3.01Å; S103-S105 PolarHBondContact O-N 3.43Å; S103-S105 VanDerWaalsContact O-N 3.12Å; S105-S108 PolarHBondContact O-N 3.23Å; S105-A109 VanDerWaalsContact O-CB 3.32Å; S105-A109 WeakPolarHBondContact O-CB 3.41Å; S105-A109 PolarHBondContact O-N 2.84Å
106T93.5Very high86.6Confident0 Ų037 Ų370%022%0.224CC..Hα-helixtrans-63.8-49.4-179.3-58.20000111.2L95 S103 S104 A109 V110 E149 L150 L153L95-T106 HydrophobicContact CD2-CG2 3.96Å; S103-T106 WeakPolarHBondContact O-CB 3.49Å; S103-T106 PolarHBondContact O-N 3.38Å; S104-T106 VanDerWaalsContact C-N 3.32Å; S104-T106 PolarHBondContact O-N 2.95Å; T106-A109 PolarHBondContact O-N 3.2Å; T106-V110 WeakPolarHBondContact O-CG2 3.2Å; T106-V110 PolarHBondContact O-N 3.37Å; T106-V110 VanDerWaalsContact O-N 3.15Å; T106-E149 HydrophobicContact CG2-CB 4.24Å; T106-E149 HydrophobicContact CG2-CG 4.18Å; T106-L150 HydrophobicContact CG2-CD2 3.65Å; T106-L150 HydrophobicContact CG2-CG 3.89Å; T106-L153 HydrophobicContact CG2-CD1 4.02Å
107R95.2Very high86.7Confident87 Ų8736.2 Ų36.233%0.32822%0.22SC..Hα-helixtrans-61.3-49177178.2172.3-63.8-85.6-4.7111.7S104 A109 V110 D111 E149 L153S104-R107 PolarHBondContact O-N 3.14Å; R107-A109 VanDerWaalsContact C-N 3.27Å; R107-A109 PolarHBondContact O-N 3.33Å; R107-V110 PolarHBondContact O-N 2.98Å; R107-D111 WeakPolarHBondContact CG-OD2 3.44Å; R107-D111 WeakPolarHBondContact O-CB 3.37Å; R107-D111 PolarHBondContact O-N 2.95Å; R107-E149 HydrophobicContact CB-CG 4.23Å; R107-E149 IonicContact CZ-OE1 2.59Å; R107-E149 IonicContact NE-OE1 3.5Å; R107-E149 PolarHBondContact NE-OE1 3.28Å; R107-E149 IonicContact NH2-OE1 2.7Å; R107-E149 PolarHBondContact NH2-OE1 2.81Å; R107-L153 HydrophobicContact CG-CD2 4.34Å
108S94.6Very high87Confident36 Ų3637.3 Ų37.325%0.25223%0.234SC..Hα-helixtrans-58.3-40.6179.5-174.20000111.8S104 S105 M112 Q268S104-S108 VanDerWaalsContact O-CB 3.32Å; S104-S108 WeakPolarHBondContact O-CB 3.44Å; S104-S108 PolarHBondContact O-N 2.79Å; S105-S108 PolarHBondContact O-N 3.23Å; S108-M112 VanDerWaalsContact O-CB 3.25Å; S108-M112 WeakPolarHBondContact O-CB 3.36Å; S108-M112 PolarHBondContact O-N 3.32Å; S108-Q268 PolarHBondContact OG-NE2 3.5Å
109A96.4Very high87.6Confident0 Ų036.4 Ų36.40%023%0.229CC..Hα-helixtrans-64-45.8178.500000112.1L95 S105 T106 R107 M112 A113 W246 L248L95-A109 HydrophobicContact CD1-CB 3.61Å; S105-A109 VanDerWaalsContact O-CB 3.32Å; S105-A109 WeakPolarHBondContact O-CB 3.41Å; S105-A109 PolarHBondContact O-N 2.84Å; T106-A109 PolarHBondContact O-N 3.2Å; R107-A109 VanDerWaalsContact C-N 3.27Å; R107-A109 PolarHBondContact O-N 3.33Å; A109-M112 PolarHBondContact O-N 3.31Å; A109-A113 WeakPolarHBondContact O-CB 3.31Å; A109-A113 PolarHBondContact O-N 2.88Å; A109-W246 HydrophobicContact CB-CD2 3.57Å; A109-W246 HydrophobicContact CB-CE3 3.52Å; A109-W246 HydrophobicContact CB-CG 4.21Å; A109-W246 HydrophobicContact CB-CH2 4.07Å; A109-W246 HydrophobicContact CB-CZ2 4.07Å; A109-W246 HydrophobicContact CB-CZ3 3.8Å; A109-L248 HydrophobicContact CB-CD1 3.97Å
110V97.8Very high88.6Confident0 Ų040 Ų400%026%0.258CS..Hα-helixtrans-69.6-43.2-178.9171.30000111.5T106 R107 M112 A113 C114 L122 V125 L153 K158 I159T106-V110 WeakPolarHBondContact O-CG2 3.2Å; T106-V110 PolarHBondContact O-N 3.37Å; T106-V110 VanDerWaalsContact O-N 3.15Å; R107-V110 PolarHBondContact O-N 2.98Å; V110-M112 VanDerWaalsContact C-N 3.31Å; V110-M112 PolarHBondContact O-N 2.95Å; V110-A113 PolarHBondContact O-N 2.85Å; V110-C114 WeakPolarHBondContact O-CB 3.25Å; V110-C114 PolarHBondContact O-N 3.47Å; V110-C114 PolarHBondContact O-SG 3.38Å; V110-L122 HydrophobicContact CG1-CD1 4.05Å; V110-L122 HydrophobicContact CG2-CD1 4.49Å; V110-V125 HydrophobicContact CG2-CG2 4.33Å; V110-L153 HydrophobicContact CB-CD1 4.05Å; V110-L153 HydrophobicContact CG1-CD1 4.31Å; V110-L153 HydrophobicContact CG1-CD2 4.36Å; V110-L153 HydrophobicContact CG2-CD1 3.95Å; V110-K158 HydrophobicContact CG1-CB 4.33Å; V110-I159 HydrophobicContact CG1-CD1 4.2Å; V110-I159 HydrophobicContact CG1-CG1 3.95Å; V110-I159 HydrophobicContact CG2-CD1 4.04Å
111D97.1Very high90.3Very high54 Ų5438.4 Ų38.429%0.28924%0.24SC..Hα-helixtrans-63.6-38.8176.5-80-35.8000111.7R107 C114 S115 K158R107-D111 WeakPolarHBondContact CG-OD2 3.44Å; R107-D111 WeakPolarHBondContact O-CB 3.37Å; R107-D111 PolarHBondContact O-N 2.95Å; D111-C114 PolarHBondContact O-N 2.95Å; D111-S115 WeakPolarHBondContact O-CB 3.46Å; D111-S115 PolarHBondContact O-N 3.28Å; D111-K158 VanDerWaalsContact OD1-CE 3.3Å; D111-K158 WeakPolarHBondContact OD1-CE 3.43Å; D111-K158 IonicContact OD1-NZ 3.7Å; D111-K158 PolarHBondContact OD1-NZ 2.9Å
112M96.3Very high92.2Very high24 Ų2431.6 Ų31.612%0.11820%0.204CC..Hα-helixtrans-64.8-46174.2-165.8172.3-60.400111.5H19 S108 A109 V110 C114 S115 V116 W246 I266H19-M112 HydrophobicContact CB-CE 4.12Å; H19-M112 HydrophobicContact CB-SD 4.22Å; H19-M112 VanDerWaalsContact CD2-CE 3.46Å; H19-M112 WeakPolarHBondContact CD2-CE 3.49Å; H19-M112 WeakPolarHBondContact CE1-CE 3.29Å; H19-M112 VanDerWaalsContact ND1-CE 3.27Å; H19-M112 WeakPolarHBondContact ND1-CE 3.17Å; H19-M112 WeakPolarHBondContact NE2-CE 3.46Å; S108-M112 VanDerWaalsContact O-CB 3.25Å; S108-M112 WeakPolarHBondContact O-CB 3.36Å; S108-M112 PolarHBondContact O-N 3.32Å; A109-M112 PolarHBondContact O-N 3.31Å; V110-M112 VanDerWaalsContact C-N 3.31Å; V110-M112 PolarHBondContact O-N 2.95Å; M112-C114 VanDerWaalsContact C-N 3.32Å; M112-C114 PolarHBondContact O-N 2.86Å; M112-S115 PolarHBondContact O-N 3.31Å; M112-V116 HydrophobicContact CG-CG2 4.13Å; M112-V116 VanDerWaalsContact O-CB 3.25Å; M112-V116 WeakPolarHBondContact O-CB 3.42Å; M112-V116 WeakPolarHBondContact O-CG2 3.42Å; M112-V116 PolarHBondContact O-N 2.82Å; M112-W246 HydrophobicContact CB-CH2 4.21Å; M112-W246 HydrophobicContact CE-CH2 4.01Å; M112-W246 HydrophobicContact CE-CZ2 3.98Å; M112-W246 HydrophobicContact SD-CH2 3.66Å; M112-W246 HydrophobicContact SD-CZ2 4.26Å; M112-I266 HydrophobicContact CB-CG2 4.37Å; M112-I266 HydrophobicContact CG-CG2 3.71Å; M112-I266 HydrophobicContact SD-CG2 3.28Å; M112-I266 WeakPolarHBondContact SD-CG2 3.32Å
113A97.6Very high93.9Very high0 Ų031.1 Ų31.10%020%0.198CC..Hα-helixtrans-57.8-43.617600000112.4A109 V110 V116 L117 L122 L248 I266A109-A113 WeakPolarHBondContact O-CB 3.31Å; A109-A113 PolarHBondContact O-N 2.88Å; V110-A113 PolarHBondContact O-N 2.85Å; A113-V116 PolarHBondContact O-N 2.91Å; A113-L117 VanDerWaalsContact O-CB 3.3Å; A113-L117 WeakPolarHBondContact O-CB 3.28Å; A113-L117 VanDerWaalsContact O-CG 3.28Å; A113-L117 WeakPolarHBondContact O-CG 3.3Å; A113-L117 PolarHBondContact O-N 3.45Å; A113-L122 HydrophobicContact CB-CD1 4.17Å; A113-L122 HydrophobicContact CB-CD2 4.39Å; A113-L248 HydrophobicContact CB-CD1 4.01Å; A113-L248 HydrophobicContact CB-CD2 4Å; A113-I266 HydrophobicContact CB-CD1 4.03Å
114C97.8Very high95.5Very high5 Ų529.5 Ų29.53%0.03419%0.187CC..Hα-helixtrans-59.4-48.7174.6-77.80000112.2V110 D111 M112 G118 V119V110-C114 WeakPolarHBondContact O-CB 3.25Å; V110-C114 PolarHBondContact O-N 3.47Å; V110-C114 PolarHBondContact O-SG 3.38Å; D111-C114 PolarHBondContact O-N 2.95Å; M112-C114 VanDerWaalsContact C-N 3.32Å; M112-C114 PolarHBondContact O-N 2.86Å; C114-G118 PolarHBondContact O-N 2.88Å; C114-V119 CarbonylContact C-O 3.54Å; C114-V119 WeakPolarHBondContact CA-O 3.21Å; C114-V119 WeakPolarHBondContact CB-O 3.37Å; C114-V119 PolarHBondContact O-N 2.94Å
115S96.1Very high96.4Very high81 Ų8126 Ų2657%0.56616%0.162SC*.Hα-helixtrans-61.5-47.1178.6-176.80000112.3K80 D111 M112 G118K80-S115 WeakPolarHBondContact CE-O 3.25Å; D111-S115 WeakPolarHBondContact O-CB 3.46Å; D111-S115 PolarHBondContact O-N 3.28Å; M112-S115 PolarHBondContact O-N 3.31Å; S115-G118 PolarHBondContact O-N 2.99Å
116V94.7Very high97Very high12 Ų1226.3 Ų26.37%0.07316%0.163CC..Hα-helixtrans-61.5-46.8-179.6158.90000111.7Q21 M112 A113 G118 I266Q21-V116 VanDerWaalsContact CD-CG2 3.44Å; Q21-V116 HydrophobicContact CG-CG1 3.93Å; Q21-V116 HydrophobicContact CG-CG2 4.1Å; M112-V116 HydrophobicContact CG-CG2 4.13Å; M112-V116 VanDerWaalsContact O-CB 3.25Å; M112-V116 WeakPolarHBondContact O-CB 3.42Å; M112-V116 WeakPolarHBondContact O-CG2 3.42Å; M112-V116 PolarHBondContact O-N 2.82Å; A113-V116 PolarHBondContact O-N 2.91Å; V116-G118 VanDerWaalsContact C-N 3.3Å; V116-I266 HydrophobicContact CB-CD1 3.93Å; V116-I266 HydrophobicContact CG1-CD1 3.87Å; V116-I266 HydrophobicContact CG2-CD1 4.01Å
117L96.5Very high97.1Very high2 Ų226.4 Ų26.41%0.0116%0.164CC..Hα-helixtrans-85-6.7-176.8-61.7174000112.8I81 V91 A113 V119 L122 Y250 V252I81-L117 PolarHBondContact N-O 2.94Å; V91-L117 HydrophobicContact CG1-CD1 3.55Å; A113-L117 VanDerWaalsContact O-CB 3.3Å; A113-L117 WeakPolarHBondContact O-CB 3.28Å; A113-L117 VanDerWaalsContact O-CG 3.28Å; A113-L117 WeakPolarHBondContact O-CG 3.3Å; A113-L117 PolarHBondContact O-N 3.45Å; L117-V119 HydrophobicContact CB-CG1 4.43Å; L117-V119 HydrophobicContact CB-CG2 4.15Å; L117-L122 HydrophobicContact CD1-CD2 4.48Å; L117-Y250 HydrophobicContact CD1-CD2 4.12Å; L117-Y250 HydrophobicContact CD1-CG 4.18Å; L117-Y250 HydrophobicContact CD2-CD2 3.81Å; L117-Y250 HydrophobicContact CD2-CE1 4.49Å; L117-Y250 HydrophobicContact CD2-CE2 3.58Å; L117-Y250 HydrophobicContact CD2-CG 4.38Å; L117-V252 HydrophobicContact CD2-CG2 4.37Å
118G96.7Very high97Very high35 Ų3522.8 Ų22.836%0.36115%0.152SC..THydrogen-bonded Turntrans67.734.9-177.600000113C114 S115 V116C114-G118 PolarHBondContact O-N 2.88Å; S115-G118 PolarHBondContact O-N 2.99Å; V116-G118 VanDerWaalsContact C-N 3.3Å
119V97.9Very high96.6Very high13 Ų1323.2 Ų23.28%0.07916%0.156CC..  trans-121.3147.9-179.5-58.40000111.5I81 V91 C114 L117 L122I81-V119 HydrophobicContact CB-CG1 4.08Å; I81-V119 HydrophobicContact CD1-CG1 3.75Å; I81-V119 HydrophobicContact CG1-CG1 4.32Å; V91-V119 HydrophobicContact CG2-CG1 4.48Å; C114-V119 CarbonylContact C-O 3.54Å; C114-V119 WeakPolarHBondContact CA-O 3.21Å; C114-V119 WeakPolarHBondContact CB-O 3.37Å; C114-V119 PolarHBondContact O-N 2.94Å; L117-V119 HydrophobicContact CB-CG1 4.43Å; L117-V119 HydrophobicContact CB-CG2 4.15Å; V119-L122 HydrophobicContact CG2-CD2 4.02Å
120A97.4Very high95.9Very high84 Ų8423.6 Ų23.669%0.69416%0.158SC*.SBendtrans-78.3-26.4174.800000112.9
121Q98Very high94.8Very high58 Ų5827.1 Ų27.127%0.27118%0.181SC..  trans-147.1140-170.2-173.9176.741.400111.2R86 K157 K158 I159 V160R86-Q121 PolarHBondContact NH2-O 3.3Å; Q121-K157 WeakPolarHBondContact CB-O 3.3Å; Q121-K157 VanDerWaalsContact CD-O 3.28Å; Q121-K157 WeakPolarHBondContact CG-O 3.34Å; Q121-K157 PolarHBondContact NE2-O 3.44Å; Q121-K158 CarbonylContact C-O 3.6Å; Q121-K158 VanDerWaalsContact CA-O 3.32Å; Q121-K158 WeakPolarHBondContact CA-O 3.46Å; Q121-I159 PolarHBondContact NE2-O 2.85Å; Q121-V160 HydrophobicContact CG-CG2 3.93Å
122L98.7Very high93.9Very high0 Ų027.4 Ų27.40%018%0.182CC..EExtended strand (participates in β ladder)trans-89.6140.7168.7-53.8-179.9000110.4V91 A93 V110 A113 L117 V119 V125 K158 I159 V160V91-L122 HydrophobicContact CB-CD2 4.48Å; V91-L122 HydrophobicContact CG1-CD2 3.62Å; A93-L122 HydrophobicContact CB-CD1 4.19Å; V110-L122 HydrophobicContact CG1-CD1 4.05Å; V110-L122 HydrophobicContact CG2-CD1 4.49Å; A113-L122 HydrophobicContact CB-CD1 4.17Å; A113-L122 HydrophobicContact CB-CD2 4.39Å; L117-L122 HydrophobicContact CD1-CD2 4.48Å; V119-L122 HydrophobicContact CG2-CD2 4.02Å; L122-V125 HydrophobicContact CB-CG2 4.2Å; L122-V125 HydrophobicContact CD1-CG2 3.63Å; L122-K158 PolarHBondContact N-O 3.2Å; L122-I159 CarbonylContact O-C 3.55Å; L122-I159 WeakPolarHBondContact O-CA 3.43Å; L122-V160 PolarHBondContact O-N 3.23Å
123D98.6Very high92.9Very high31 Ų3133.7 Ų33.717%0.16621%0.211CC..EExtended strand (participates in β ladder)trans-72.8-35.2177.8-62.7-93.7000111.6R86 K90 V91 V160 A161 K255R86-D123 IonicContact CZ-OD2 2.76Å; R86-D123 IonicContact NH1-OD1 2.78Å; R86-D123 IonicContact NH1-OD2 3.35Å; R86-D123 PolarHBondContact NH1-OD2 3.5Å; R86-D123 IonicContact NH2-OD1 2.7Å; R86-D123 IonicContact NH2-OD2 3.08Å; R86-D123 PolarHBondContact NH2-OD2 3.49Å; K90-D123 HydrophobicContact CG-CB 4.17Å; V91-D123 PolarHBondContact N-OD2 3.44Å; V91-D123 WeakPolarHBondContact O-CA 3.44Å; V91-D123 WeakPolarHBondContact O-CB 3.32Å; V91-D123 PolarHBondContact O-N 2.84Å; D123-V160 WeakPolarHBondContact O-CB 3.24Å; D123-A161 PolarHBondContact O-N 3.04Å; D123-K255 IonicContact OD1-NZ 3.72Å
124S98.4Very high91.8Very high20 Ų2040.7 Ų40.714%0.1425%0.249CC..EExtended strand (participates in β ladder)trans-152.7139.7175.370.20000113.8V91 S92 A93 A161V91-S124 PolarHBondContact O-N 2.96Å; S92-S124 CarbonylContact C-O 3.46Å; S92-S124 VanDerWaalsContact CA-O 3.32Å; S92-S124 WeakPolarHBondContact CA-O 3.27Å; S92-S124 VanDerWaalsContact CB-OG 3.27Å; S92-S124 WeakPolarHBondContact CB-OG 3.46Å; S92-S124 PolarHBondContact OG-OG 3.26Å; A93-S124 PolarHBondContact N-O 2.88Å; S124-A161 CarbonylContact C-O 3.56Å; S124-A161 VanDerWaalsContact CA-O 3.23Å; S124-A161 WeakPolarHBondContact CA-O 3.46Å
125V98.7Very high90.4Very high0 Ų044.5 Ų44.50%029%0.288CS..EExtended strand (participates in β ladder)trans-123.6124.6171.2-179.40000110.1A93 V110 L122 L150 I159 A161 I162 G163A93-V125 HydrophobicContact CB-CG2 4.41Å; A93-V125 CarbonylContact O-C 3.57Å; A93-V125 WeakPolarHBondContact O-CA 3.28Å; V110-V125 HydrophobicContact CG2-CG2 4.33Å; L122-V125 HydrophobicContact CB-CG2 4.2Å; L122-V125 HydrophobicContact CD1-CG2 3.63Å; V125-L150 HydrophobicContact CB-CD2 4.43Å; V125-L150 HydrophobicContact CG1-CD2 3.98Å; V125-I159 HydrophobicContact CB-CD1 4.01Å; V125-I159 HydrophobicContact CB-CG2 4.21Å; V125-I159 HydrophobicContact CG2-CD1 3.66Å; V125-I159 HydrophobicContact CG2-CG1 3.82Å; V125-I159 HydrophobicContact CG2-CG2 3.87Å; V125-A161 PolarHBondContact N-O 3.11Å; V125-I162 CarbonylContact O-C 3.59Å; V125-I162 VanDerWaalsContact O-CA 3.3Å; V125-I162 WeakPolarHBondContact O-CA 3.49Å; V125-G163 PolarHBondContact O-N 2.87Å
126I98.4Very high89.7Confident10 Ų1043.5 Ų43.55%0.05128%0.279CS..EExtended strand (participates in β ladder)trans-104.7127.9173.2-64.7174.3000108.4A93 K94 L95 G163 T164 Q187 L212A93-I126 PolarHBondContact O-N 2.83Å; K94-I126 CarbonylContact C-O 3.48Å; K94-I126 VanDerWaalsContact CA-O 3.26Å; K94-I126 WeakPolarHBondContact CA-O 3.3Å; K94-I126 HydrophobicContact CD-CG2 4.46Å; K94-I126 HydrophobicContact CG-CB 4.34Å; K94-I126 HydrophobicContact CG-CG2 4.29Å; L95-I126 PolarHBondContact N-O 3.1Å; I126-G163 CarbonylContact C-O 3.55Å; I126-G163 WeakPolarHBondContact CA-O 3.47Å; I126-T164 WeakPolarHBondContact CG2-O 3.43Å; I126-Q187 HydrophobicContact CD1-CG 3.97Å; I126-L212 HydrophobicContact CD1-CD1 4.19Å
127I96Very high89.1Confident3 Ų349.7 Ų49.72%0.01531%0.312CS..EExtended strand (participates in β ladder)trans-92.3125.7170.8-171.5157.8000110.1I97 Y146 W147 L150 G163 T164 S165I97-I127 HydrophobicContact CG1-CD1 4.46Å; I127-Y146 HydrophobicContact CD1-CD1 4.42Å; I127-Y146 HydrophobicContact CD1-CD2 4.47Å; I127-Y146 HydrophobicContact CD1-CG 3.86Å; I127-W147 HydrophobicContact CG2-CE3 4.22Å; I127-W147 HydrophobicContact CG2-CZ3 4.14Å; I127-L150 HydrophobicContact CB-CD1 4.06Å; I127-L150 HydrophobicContact CD1-CD1 4.44Å; I127-L150 HydrophobicContact CG2-CD1 3.93Å; I127-G163 PolarHBondContact N-O 3.17Å; I127-T164 HydrophobicContact CG2-CG2 4.37Å; I127-T164 CarbonylContact O-C 3.53Å; I127-S165 PolarHBondContact O-N 2.8Å
128A93.7Very high88.6Confident10 Ų1050.5 Ų50.58%0.08332%0.316CS..PPolyproline II helixtrans-70.7150.9168.100000109.8L95 F96L95-A128 WeakPolarHBondContact O-CB 3.33Å; L95-A128 PolarHBondContact O-N 2.73Å; F96-A128 HydrophobicContact CD1-CB 3.55Å; F96-A128 HydrophobicContact CE1-CB 3.93Å; F96-A128 HydrophobicContact CG-CB 4.21Å
129S86.3Confident88.3Confident46 Ų4650.9 Ų50.932%0.32231%0.313SS..PPolyproline II helixtrans-51.5126.9174-62.80000110.1S165S129-S165 PolarHBondContact OG-O 3.24Å; S129-S165 VanDerWaalsContact OG-O 3.1Å
130P81.3Confident87.9Confident8 Ų851.8 Ų51.85%0.05232%0.317CS..PPolyproline II helixtrans-63.6157-179.627-34.2000110.1I132 L138 H142 L143 Y146P130-I132 PolarHBondContact O-N 2.9Å; P130-L138 HydrophobicContact CG-CD1 3.93Å; P130-H142 HydrophobicContact CG-CB 4.28Å; P130-L143 VanDerWaalsContact CD-CD2 3.41Å; P130-L143 HydrophobicContact CG-CD2 4.02Å; P130-Y146 HydrophobicContact CB-CD2 4.49Å; P130-Y146 HydrophobicContact CB-CE2 3.89Å; P130-Y146 HydrophobicContact CG-CE2 4.26Å
131P74.3Confident87.6Confident74 Ų7454.7 Ų54.748%0.48132%0.316SS..PPolyproline II helixtrans-61.8124.917524.9-31.1000108.7I97I97-P131 VanDerWaalsContact O-CD 3.3Å; I97-P131 WeakPolarHBondContact O-CD 3.26Å
132I78.6Confident87.3Confident60 Ų6055.4 Ų55.431%0.30832%0.319SS..  trans-116.7150.6175.160.9-172.7000108.4P130 V136 L138P130-I132 PolarHBondContact O-N 2.9Å; I132-V136 WeakPolarHBondContact CD1-O 3.46Å; I132-L138 HydrophobicContact CD1-CB 4.03Å; I132-L138 HydrophobicContact CG2-CD1 3.98Å
133E76.3Confident86.9Confident156 Ų15655.7 Ų55.773%0.72932%0.321SS*.  trans-59.4146.6176.1-65.5-178.6179.800110.9G135 V136E133-G135 PolarHBondContact O-N 3.22Å; E133-V136 HydrophobicContact CB-CG2 3.89Å; E133-V136 WeakPolarHBondContact O-CB 3.3Å; E133-V136 PolarHBondContact O-N 2.93Å
134D72.6Confident86.7Confident147 Ų14756.6 Ų56.679%0.78632%0.324SS*.THydrogen-bonded Turntrans-59.1129.5-179.8-79.8-37.9000111.2V136 K218D134-V136 VanDerWaalsContact C-N 3.29Å; D134-K218 IonicContact OD1-NZ 3.7Å
135G70.1Confident86.4Confident84 Ų8458.2 Ų58.287%0.86633%0.334SS*.THydrogen-bonded Turntrans85.1-5.1-177.500000114.7E133E133-G135 PolarHBondContact O-N 3.22Å
136V79.8Confident86.2Confident60 Ų6059.1 Ų59.136%0.36434%0.337SS..PPolyproline II helixtrans-86.6134.1169.4-178.30000109.1I132 E133 D134I132-V136 WeakPolarHBondContact CD1-O 3.46Å; E133-V136 HydrophobicContact CB-CG2 3.89Å; E133-V136 WeakPolarHBondContact O-CB 3.3Å; E133-V136 PolarHBondContact O-N 2.93Å; D134-V136 VanDerWaalsContact C-N 3.29Å
137N82.4Confident86.1Confident143 Ų14358.7 Ų58.777%0.76534%0.335SS*.PPolyproline II helixtrans-85140171.5-70.3-48.6000109.8S139N137-S139 PolarHBondContact O-N 3Å
138L85.5Confident86.1Confident19 Ų1963.1 Ų63.110%0.09936%0.356CS..PPolyproline II helixtrans-59122.4174.5-178.571.3000109.6P130 I132 H142 L143 L167 Q171P130-L138 HydrophobicContact CG-CD1 3.93Å; I132-L138 HydrophobicContact CD1-CB 4.03Å; I132-L138 HydrophobicContact CG2-CD1 3.98Å; L138-H142 HydrophobicContact CD1-CB 3.82Å; L138-L143 HydrophobicContact CD1-CD2 4.33Å; L138-L143 HydrophobicContact CD1-CG 4.26Å; L138-L143 HydrophobicContact CD2-CD1 4.25Å; L138-L143 HydrophobicContact CD2-CD2 4.44Å; L138-L143 HydrophobicContact CD2-CG 4.48Å; L138-L167 HydrophobicContact CD2-CD2 3.49Å; L138-L167 VanDerWaalsContact CD2-CD2 3.49Å; L138-Q171 PolarHBondContact O-NE2 3.09Å
139S90.4Very high86.3Confident42 Ų4263.8 Ų63.829%0.29436%0.357SS..  trans-110.4164.817275.80000110.5N137 E141 H142N137-S139 PolarHBondContact O-N 3Å; S139-E141 PolarHBondContact O-N 2.88Å; S139-H142 PolarHBondContact N-ND1 3.28Å; S139-H142 PolarHBondContact O-N 2.6Å; S139-H142 PolarHBondContact OG-CE1 3.28Å; S139-H142 PolarHBondContact OG-ND1 3.27Å
140L91.3Very high86.8Confident32 Ų3261.6 Ų61.617%0.16834%0.342CS..Hα-helixtrans-53.6-41.2176.117959.7000112.3H142 L143 Q144 Q174 L175 W178L140-H142 PolarHBondContact O-N 2.9Å; L140-H142 VanDerWaalsContact O-N 3.15Å; L140-L143 WeakPolarHBondContact O-CA 3.3Å; L140-L143 WeakPolarHBondContact O-CB 3.44Å; L140-L143 PolarHBondContact O-N 2.84Å; L140-Q144 HydrophobicContact CD1-CG 4.25Å; L140-Q144 HydrophobicContact CG-CG 3.97Å; L140-Q144 WeakPolarHBondContact O-CG 3.3Å; L140-Q144 PolarHBondContact O-N 2.91Å; L140-Q174 HydrophobicContact CD2-CB 4.43Å; L140-L175 HydrophobicContact CD1-CB 4Å; L140-L175 HydrophobicContact CD1-CD1 3.73Å; L140-W178 HydrophobicContact CD1-CE3 4.15Å; L140-W178 HydrophobicContact CD2-CB 3.88Å; L140-W178 HydrophobicContact CD2-CD2 4.39Å; L140-W178 HydrophobicContact CD2-CG 4.02Å
141E91.3Very high87.6Confident146 Ų14661.9 Ų61.968%0.68234%0.343SS*.Hα-helixtrans-56.5-33.1-177.6-63.8176.4-177.300113.2S139 L143 P145S139-E141 PolarHBondContact O-N 2.88Å; E141-L143 VanDerWaalsContact C-N 3.29Å; E141-L143 PolarHBondContact O-N 3.1Å; E141-P145 WeakPolarHBondContact O-CD 3.28Å
142H90.1Very high88.8Confident72 Ų7261.5 Ų61.533%0.33334%0.337SS..Hα-helixtrans-70.5-26176.6-61.694.4000112.7P130 L138 S139 L140 Y146P130-H142 HydrophobicContact CG-CB 4.28Å; L138-H142 HydrophobicContact CD1-CB 3.82Å; S139-H142 PolarHBondContact N-ND1 3.28Å; S139-H142 PolarHBondContact O-N 2.6Å; S139-H142 PolarHBondContact OG-CE1 3.28Å; S139-H142 PolarHBondContact OG-ND1 3.27Å; L140-H142 PolarHBondContact O-N 2.9Å; L140-H142 VanDerWaalsContact O-N 3.15Å; H142-Y146 WeakPolarHBondContact O-CD2 3.39Å; H142-Y146 WeakPolarHBondContact O-CE2 3.45Å
143L91.3Very high89.7Confident7 Ų758.7 Ų58.74%0.03732%0.322CS..Hα-helixtrans-91.6-32.5-179.3-65.3173.2000112.8P130 L138 L140 E141 Y146 W147 L167P130-L143 VanDerWaalsContact CD-CD2 3.41Å; P130-L143 HydrophobicContact CG-CD2 4.02Å; L138-L143 HydrophobicContact CD1-CD2 4.33Å; L138-L143 HydrophobicContact CD1-CG 4.26Å; L138-L143 HydrophobicContact CD2-CD1 4.25Å; L138-L143 HydrophobicContact CD2-CD2 4.44Å; L138-L143 HydrophobicContact CD2-CG 4.48Å; L140-L143 WeakPolarHBondContact O-CA 3.3Å; L140-L143 WeakPolarHBondContact O-CB 3.44Å; L140-L143 PolarHBondContact O-N 2.84Å; E141-L143 VanDerWaalsContact C-N 3.29Å; E141-L143 PolarHBondContact O-N 3.1Å; L143-Y146 PolarHBondContact O-N 2.73Å; L143-W147 PolarHBondContact O-N 2.76Å; L143-L167 HydrophobicContact CD1-CD1 3.99Å; L143-L167 HydrophobicContact CD1-CD2 3.82Å
144Q93.4Very high90.8Very high50 Ų5052.8 Ų52.823%0.23430%0.297CS..Hα-helixtrans-44.5-54.3-175.7-74.7179.4-44.600114.2L140 Y146 W147 E148 W178L140-Q144 HydrophobicContact CD1-CG 4.25Å; L140-Q144 HydrophobicContact CG-CG 3.97Å; L140-Q144 WeakPolarHBondContact O-CG 3.3Å; L140-Q144 PolarHBondContact O-N 2.91Å; Q144-Y146 PolarHBondContact O-N 3Å; Q144-W147 PolarHBondContact O-N 3.36Å; Q144-W147 VanDerWaalsContact O-N 3.11Å; Q144-E148 WeakPolarHBondContact O-CG 3.48Å; Q144-E148 PolarHBondContact O-N 2.87Å; Q144-W178 HydrophobicContact CB-CH2 3.87Å; Q144-W178 HydrophobicContact CB-CZ2 4.04Å; Q144-W178 HydrophobicContact CG-CD2 4.32Å; Q144-W178 HydrophobicContact CG-CE3 4.34Å; Q144-W178 HydrophobicContact CG-CH2 3.62Å; Q144-W178 HydrophobicContact CG-CZ2 3.6Å; Q144-W178 HydrophobicContact CG-CZ3 4Å; Q144-W178 VanDerWaalsContact NE2-CE2 3.27Å; Q144-W178 VanDerWaalsContact NE2-NE1 3.19Å
145P92.6Very high92Very high53 Ų5351.7 Ų51.734%0.34429%0.287SS..Hα-helixtrans-64.1-28.8-175.324.6-35.3000113.4E141E141-P145 WeakPolarHBondContact O-CD 3.28Å
146Y93.9Very high93.3Very high19 Ų1950.6 Ų50.68%0.07527%0.266CS..Hα-helixtrans-82.9-36.8176.5-52.5-74.2000111.4I97 I127 P130 H142 L143 Q144 E149 L150I97-Y146 HydrophobicContact CD1-CD1 4.11Å; I97-Y146 HydrophobicContact CD1-CE1 4.01Å; I97-Y146 HydrophobicContact CG1-CD1 4.05Å; I97-Y146 HydrophobicContact CG1-CE1 3.84Å; I97-Y146 HydrophobicContact CG2-CE1 4.06Å; I127-Y146 HydrophobicContact CD1-CD1 4.42Å; I127-Y146 HydrophobicContact CD1-CD2 4.47Å; I127-Y146 HydrophobicContact CD1-CG 3.86Å; P130-Y146 HydrophobicContact CB-CD2 4.49Å; P130-Y146 HydrophobicContact CB-CE2 3.89Å; P130-Y146 HydrophobicContact CG-CE2 4.26Å; H142-Y146 WeakPolarHBondContact O-CD2 3.39Å; H142-Y146 WeakPolarHBondContact O-CE2 3.45Å; L143-Y146 PolarHBondContact O-N 2.73Å; Q144-Y146 PolarHBondContact O-N 3Å; Y146-E149 PolarHBondContact O-N 2.81Å; Y146-L150 WeakPolarHBondContact O-CG 3.43Å; Y146-L150 PolarHBondContact O-N 2.79Å
147W96.6Very high94.2Very high2 Ų255.3 Ų55.31%0.00828%0.281CS..Hα-helixtrans-65.7-47.2178.1-160.4-95.9000111I127 L143 Q144 E149 L150 E151 I162 T164 L175 W178 A179 V181 P183I127-W147 HydrophobicContact CG2-CE3 4.22Å; I127-W147 HydrophobicContact CG2-CZ3 4.14Å; L143-W147 PolarHBondContact O-N 2.76Å; Q144-W147 PolarHBondContact O-N 3.36Å; Q144-W147 VanDerWaalsContact O-N 3.11Å; W147-E149 PolarHBondContact O-N 2.8Å; W147-L150 HydrophobicContact CE3-CD1 3.96Å; W147-L150 HydrophobicContact CZ3-CD1 4.17Å; W147-L150 CarbonylContact O-C 3.47Å; W147-L150 WeakPolarHBondContact O-CA 3.34Å; W147-L150 WeakPolarHBondContact O-CB 3.11Å; W147-L150 PolarHBondContact O-N 2.84Å; W147-E151 PolarHBondContact NE1-OE1 2.84Å; W147-E151 WeakPolarHBondContact O-CG 3.5Å; W147-E151 PolarHBondContact O-N 2.83Å; W147-I162 HydrophobicContact CD2-CD1 4.35Å; W147-I162 HydrophobicContact CH2-CB 4.19Å; W147-I162 HydrophobicContact CH2-CD1 3.88Å; W147-I162 HydrophobicContact CH2-CG1 3.81Å; W147-I162 HydrophobicContact CZ2-CD1 3.46Å; W147-I162 VanDerWaalsContact CZ2-CD1 3.46Å; W147-I162 HydrophobicContact CZ2-CG1 3.73Å; W147-I162 HydrophobicContact CZ3-CD1 4.48Å; W147-T164 HydrophobicContact CE3-CG2 4.13Å; W147-T164 HydrophobicContact CH2-CG2 4.01Å; W147-T164 HydrophobicContact CZ3-CG2 3.44Å; W147-T164 VanDerWaalsContact CZ3-CG2 3.44Å; W147-L175 HydrophobicContact CB-CD1 4.35Å; W147-L175 HydrophobicContact CD2-CD1 3.9Å; W147-L175 HydrophobicContact CD2-CD2 4.13Å; W147-L175 HydrophobicContact CD2-CG 4.44Å; W147-L175 HydrophobicContact CE3-CD1 4.49Å; W147-L175 HydrophobicContact CE3-CD2 4.04Å; W147-L175 HydrophobicContact CG-CD1 3.8Å; W147-L175 HydrophobicContact CH2-CD2 4.3Å; W147-L175 HydrophobicContact CZ2-CD2 4.36Å; W147-L175 HydrophobicContact CZ3-CD2 4.14Å; W147-W178 HydrophobicContact CB-CH2 4.47Å; W147-W178 HydrophobicContact CB-CZ3 4.06Å; W147-W178 AromaticContact CD1-CZ3 3.73Å; W147-W178 HydrophobicContact CG-CZ3 4.15Å; W147-A179 VanDerWaalsContact NE1-CB 3.28Å; W147-V181 PolarHBondContact NE1-O 3.47Å; W147-V181 VanDerWaalsContact NE1-O 3.1Å; W147-P183 HydrophobicContact CH2-CB 3.59Å; W147-P183 HydrophobicContact CZ2-CB 3.79Å; W147-P183 HydrophobicContact CZ2-CG 4.34Å
148E96.8Very high95Very high96 Ų9651.5 Ų51.545%0.44926%0.258SS..Hα-helixtrans-52.9-42.2174.6-70.5175.8164.900111.8Q144 E151 N152 W178Q144-E148 WeakPolarHBondContact O-CG 3.48Å; Q144-E148 PolarHBondContact O-N 2.87Å; E148-E151 WeakPolarHBondContact O-CB 3.1Å; E148-E151 PolarHBondContact O-N 2.98Å; E148-N152 VanDerWaalsContact O-CG 3.29Å; E148-N152 PolarHBondContact O-N 2.91Å; E148-N152 PolarHBondContact O-ND2 2.84Å; E148-W178 HydrophobicContact CG-CH2 3.81Å; E148-W178 HydrophobicContact CG-CZ2 4.15Å
149E96.8Very high95.6Very high24 Ų2450.6 Ų50.611%0.11225%0.253CS..Hα-helixtrans-68.1-38177.1-164.961-14700112.3T106 R107 Y146 W147 E151 N152 L153T106-E149 HydrophobicContact CG2-CB 4.24Å; T106-E149 HydrophobicContact CG2-CG 4.18Å; R107-E149 HydrophobicContact CB-CG 4.23Å; R107-E149 IonicContact CZ-OE1 2.59Å; R107-E149 IonicContact NE-OE1 3.5Å; R107-E149 PolarHBondContact NE-OE1 3.28Å; R107-E149 IonicContact NH2-OE1 2.7Å; R107-E149 PolarHBondContact NH2-OE1 2.81Å; Y146-E149 PolarHBondContact O-N 2.81Å; W147-E149 PolarHBondContact O-N 2.8Å; E149-E151 VanDerWaalsContact C-N 3.34Å; E149-N152 WeakPolarHBondContact O-CB 3.43Å; E149-N152 PolarHBondContact O-N 3.15Å; E149-L153 VanDerWaalsContact O-CG 3.27Å; E149-L153 WeakPolarHBondContact O-CG 3.43Å; E149-L153 PolarHBondContact O-N 2.85Å
150L97.9Very high96Very high0 Ų052.4 Ų52.40%026%0.262CS..Hα-helixtrans-62.6-39.6172-72.2173.6000111.7T106 V125 I127 Y146 W147 L153 V154 I159 I162T106-L150 HydrophobicContact CG2-CD2 3.65Å; T106-L150 HydrophobicContact CG2-CG 3.89Å; V125-L150 HydrophobicContact CB-CD2 4.43Å; V125-L150 HydrophobicContact CG1-CD2 3.98Å; I127-L150 HydrophobicContact CB-CD1 4.06Å; I127-L150 HydrophobicContact CD1-CD1 4.44Å; I127-L150 HydrophobicContact CG2-CD1 3.93Å; Y146-L150 WeakPolarHBondContact O-CG 3.43Å; Y146-L150 PolarHBondContact O-N 2.79Å; W147-L150 HydrophobicContact CE3-CD1 3.96Å; W147-L150 HydrophobicContact CZ3-CD1 4.17Å; W147-L150 CarbonylContact O-C 3.47Å; W147-L150 WeakPolarHBondContact O-CA 3.34Å; W147-L150 WeakPolarHBondContact O-CB 3.11Å; W147-L150 PolarHBondContact O-N 2.84Å; L150-L153 PolarHBondContact O-N 2.84Å; L150-V154 WeakPolarHBondContact O-CG2 3.34Å; L150-V154 PolarHBondContact O-N 3.15Å; L150-I159 HydrophobicContact CD2-CD1 3.84Å; L150-I162 HydrophobicContact CB-CB 4.46Å; L150-I162 HydrophobicContact CB-CD1 3.87Å; L150-I162 HydrophobicContact CB-CG2 4.04Å; L150-I162 HydrophobicContact CD2-CG2 4.24Å
151E98.6Very high96.3Very high14 Ų1451.8 Ų51.87%0.06526%0.262CS..Hα-helixtrans-61.1-45.4174.2-60.3-168.6150.200111W147 E148 E149 L153 V154 Q155 I162 A179 Q180 V181W147-E151 PolarHBondContact NE1-OE1 2.84Å; W147-E151 WeakPolarHBondContact O-CG 3.5Å; W147-E151 PolarHBondContact O-N 2.83Å; E148-E151 WeakPolarHBondContact O-CB 3.1Å; E148-E151 PolarHBondContact O-N 2.98Å; E149-E151 VanDerWaalsContact C-N 3.34Å; E151-L153 VanDerWaalsContact C-N 3.27Å; E151-L153 PolarHBondContact O-N 2.81Å; E151-V154 PolarHBondContact O-N 2.76Å; E151-V154 VanDerWaalsContact O-N 3.15Å; E151-Q155 VanDerWaalsContact O-CG 3.3Å; E151-Q155 WeakPolarHBondContact O-CG 3.37Å; E151-Q155 PolarHBondContact O-N 2.77Å; E151-I162 HydrophobicContact CG-CD1 4.44Å; E151-A179 WeakPolarHBondContact OE1-CB 3.47Å; E151-Q180 WeakPolarHBondContact OE1-CA 3.39Å; E151-Q180 PolarHBondContact OE1-N 2.87Å; E151-V181 HydrophobicContact CB-CB 4.39Å; E151-V181 HydrophobicContact CB-CG2 3.94Å; E151-V181 HydrophobicContact CG-CB 3.91Å; E151-V181 HydrophobicContact CG-CG2 3.98Å; E151-V181 PolarHBondContact OE1-N 3.04Å
152N98.1Very high96.7Very high66 Ų6645 Ų4535%0.35323%0.23SC..Hα-helixtrans-60.3-37175.7-69.7-29.4000112E148 E149 Q155 S156E148-N152 VanDerWaalsContact O-CG 3.29Å; E148-N152 PolarHBondContact O-N 2.91Å; E148-N152 PolarHBondContact O-ND2 2.84Å; E149-N152 WeakPolarHBondContact O-CB 3.43Å; E149-N152 PolarHBondContact O-N 3.15Å; N152-Q155 PolarHBondContact O-N 2.8Å; N152-S156 WeakPolarHBondContact O-CB 3.46Å; N152-S156 PolarHBondContact O-N 2.93Å; N152-S156 PolarHBondContact O-OG 2.81Å
153L98.4Very high97.1Very high0 Ų041.6 Ų41.60%021%0.214CC..Hα-helixtrans-72.1-31.4177-69.8166.6000112.7T106 R107 V110 E149 L150 E151 S156 K157 K158 I159T106-L153 HydrophobicContact CG2-CD1 4.02Å; R107-L153 HydrophobicContact CG-CD2 4.34Å; V110-L153 HydrophobicContact CB-CD1 4.05Å; V110-L153 HydrophobicContact CG1-CD1 4.31Å; V110-L153 HydrophobicContact CG1-CD2 4.36Å; V110-L153 HydrophobicContact CG2-CD1 3.95Å; E149-L153 VanDerWaalsContact O-CG 3.27Å; E149-L153 WeakPolarHBondContact O-CG 3.43Å; E149-L153 PolarHBondContact O-N 2.85Å; L150-L153 PolarHBondContact O-N 2.84Å; E151-L153 VanDerWaalsContact C-N 3.27Å; E151-L153 PolarHBondContact O-N 2.81Å; L153-S156 WeakPolarHBondContact CA-OG 3.47Å; L153-S156 PolarHBondContact O-OG 2.89Å; L153-K157 PolarHBondContact O-N 3.23Å; L153-K158 HydrophobicContact CB-CB 4.29Å; L153-K158 HydrophobicContact CD2-CB 3.93Å; L153-K158 HydrophobicContact CD2-CG 4.13Å; L153-K158 WeakPolarHBondContact O-CA 3.36Å; L153-K158 WeakPolarHBondContact O-CB 3.26Å; L153-K158 PolarHBondContact O-N 3.15Å; L153-I159 HydrophobicContact CB-CD1 3.52Å; L153-I159 HydrophobicContact CB-CG1 3.96Å; L153-I159 HydrophobicContact CD1-CD1 3.92Å; L153-I159 HydrophobicContact CG-CD1 4.35Å; L153-I159 PolarHBondContact O-N 3.41Å; L153-I159 VanDerWaalsContact O-N 3.16Å
154V98.6Very high97.4Very high33 Ų3341.3 Ų41.320%0.221%0.213CC..Hα-helixtrans-69-47.6170.21740000110.5L150 E151 S156 K157 I159 I162 V181L150-V154 WeakPolarHBondContact O-CG2 3.34Å; L150-V154 PolarHBondContact O-N 3.15Å; E151-V154 PolarHBondContact O-N 2.76Å; E151-V154 VanDerWaalsContact O-N 3.15Å; V154-S156 VanDerWaalsContact C-N 3.3Å; V154-S156 PolarHBondContact O-N 3.04Å; V154-K157 PolarHBondContact O-N 2.91Å; V154-I159 WeakPolarHBondContact CA-O 3.34Å; V154-I159 HydrophobicContact CG2-CB 4.09Å; V154-I159 HydrophobicContact CG2-CG2 4.34Å; V154-I162 HydrophobicContact CG2-CD1 4.31Å; V154-I162 HydrophobicContact CG2-CG1 4.29Å; V154-I162 HydrophobicContact CG2-CG2 3.58Å; V154-V181 HydrophobicContact CB-CG1 4.43Å; V154-V181 HydrophobicContact CB-CG2 4.48Å; V154-V181 HydrophobicContact CG1-CG1 4.12Å; V154-V181 HydrophobicContact CG1-CG2 4.42Å; V154-V181 HydrophobicContact CG2-CG1 4.34Å
155Q98.3Very high97.4Very high124 Ų12439 Ų3958%0.57920%0.203SC*.Hα-helixtrans-60.9-38.1179.2-69.1172.225.900112.5E151 N152 K157E151-Q155 VanDerWaalsContact O-CG 3.3Å; E151-Q155 WeakPolarHBondContact O-CG 3.37Å; E151-Q155 PolarHBondContact O-N 2.77Å; N152-Q155 PolarHBondContact O-N 2.8Å; Q155-K157 PolarHBondContact O-N 2.75Å
156S97.8Very high97.5Very high60 Ų6039.2 Ų39.242%0.4220%0.201SC..THydrogen-bonded Turntrans-81.58.5175.259.50000114.4N152 L153 V154 K158N152-S156 WeakPolarHBondContact O-CB 3.46Å; N152-S156 PolarHBondContact O-N 2.93Å; N152-S156 PolarHBondContact O-OG 2.81Å; L153-S156 WeakPolarHBondContact CA-OG 3.47Å; L153-S156 PolarHBondContact O-OG 2.89Å; V154-S156 VanDerWaalsContact C-N 3.3Å; V154-S156 PolarHBondContact O-N 3.04Å; S156-K158 PolarHBondContact O-N 2.76Å
157K98.2Very high97.5Very high159 Ų15938.5 Ų38.569%0.69120%0.198SC*.THydrogen-bonded Turntrans59.427.8177.8-53.5-179.6180179.40114.2Q121 L153 V154 Q155Q121-K157 WeakPolarHBondContact CB-O 3.3Å; Q121-K157 VanDerWaalsContact CD-O 3.28Å; Q121-K157 WeakPolarHBondContact CG-O 3.34Å; Q121-K157 PolarHBondContact NE2-O 3.44Å; L153-K157 PolarHBondContact O-N 3.23Å; V154-K157 PolarHBondContact O-N 2.91Å; Q155-K157 PolarHBondContact O-N 2.75Å
158K98.4Very high97.3Very high63 Ų6342.1 Ų42.127%0.27422%0.218SC..SBendtrans-85.6-23.6170.9-69.5-70.4-164.7150.20112.5V110 D111 Q121 L122 L153 S156V110-K158 HydrophobicContact CG1-CB 4.33Å; D111-K158 VanDerWaalsContact OD1-CE 3.3Å; D111-K158 WeakPolarHBondContact OD1-CE 3.43Å; D111-K158 IonicContact OD1-NZ 3.7Å; D111-K158 PolarHBondContact OD1-NZ 2.9Å; Q121-K158 CarbonylContact C-O 3.6Å; Q121-K158 VanDerWaalsContact CA-O 3.32Å; Q121-K158 WeakPolarHBondContact CA-O 3.46Å; L122-K158 PolarHBondContact N-O 3.2Å; L153-K158 HydrophobicContact CB-CB 4.29Å; L153-K158 HydrophobicContact CD2-CB 3.93Å; L153-K158 HydrophobicContact CD2-CG 4.13Å; L153-K158 WeakPolarHBondContact O-CA 3.36Å; L153-K158 WeakPolarHBondContact O-CB 3.26Å; L153-K158 PolarHBondContact O-N 3.15Å; S156-K158 PolarHBondContact O-N 2.76Å
159I98.7Very high97.3Very high1 Ų140.1 Ų40.11%0.00521%0.208CC..EExtended strand (participates in β ladder)trans-132.4142.7175.7-53.8169.1000108.8V110 Q121 L122 V125 L150 L153 V154 A161 I162V110-I159 HydrophobicContact CG1-CD1 4.2Å; V110-I159 HydrophobicContact CG1-CG1 3.95Å; V110-I159 HydrophobicContact CG2-CD1 4.04Å; Q121-I159 PolarHBondContact NE2-O 2.85Å; L122-I159 CarbonylContact O-C 3.55Å; L122-I159 WeakPolarHBondContact O-CA 3.43Å; V125-I159 HydrophobicContact CB-CD1 4.01Å; V125-I159 HydrophobicContact CB-CG2 4.21Å; V125-I159 HydrophobicContact CG2-CD1 3.66Å; V125-I159 HydrophobicContact CG2-CG1 3.82Å; V125-I159 HydrophobicContact CG2-CG2 3.87Å; L150-I159 HydrophobicContact CD2-CD1 3.84Å; L153-I159 HydrophobicContact CB-CD1 3.52Å; L153-I159 HydrophobicContact CB-CG1 3.96Å; L153-I159 HydrophobicContact CD1-CD1 3.92Å; L153-I159 HydrophobicContact CG-CD1 4.35Å; L153-I159 PolarHBondContact O-N 3.41Å; L153-I159 VanDerWaalsContact O-N 3.16Å; V154-I159 WeakPolarHBondContact CA-O 3.34Å; V154-I159 HydrophobicContact CG2-CB 4.09Å; V154-I159 HydrophobicContact CG2-CG2 4.34Å; I159-A161 WeakPolarHBondContact CG2-O 3.46Å; I159-I162 HydrophobicContact CB-CG2 4.38Å; I159-I162 HydrophobicContact CD1-CG2 4.15Å; I159-I162 HydrophobicContact CG2-CG2 3.71Å
160V98.6Very high97.2Very high79 Ų7942.7 Ų42.748%0.47923%0.225SC..EExtended strand (participates in β ladder)trans-85.4-53.1172.2178.80000110.9Q121 L122 D123Q121-V160 HydrophobicContact CG-CG2 3.93Å; L122-V160 PolarHBondContact O-N 3.23Å; D123-V160 WeakPolarHBondContact O-CB 3.24Å
161A98.6Very high97.2Very high20 Ų2044.3 Ų44.317%0.16523%0.233CC..EExtended strand (participates in β ladder)trans-130144.8-177.800000112.3D123 S124 V125 I159 N184D123-A161 PolarHBondContact O-N 3.04Å; S124-A161 CarbonylContact C-O 3.56Å; S124-A161 VanDerWaalsContact CA-O 3.23Å; S124-A161 WeakPolarHBondContact CA-O 3.46Å; V125-A161 PolarHBondContact N-O 3.11Å; I159-A161 WeakPolarHBondContact CG2-O 3.46Å; A161-N184 HydrophobicContact CB-CB 4.1Å
162I98.8Very high97.1Very high3 Ų343.7 Ų43.72%0.01523%0.23CC..EExtended strand (participates in β ladder)trans-122.6149.2178.758.2173.3000110.5V125 W147 L150 E151 V154 I159 V181 P183 N184V125-I162 CarbonylContact O-C 3.59Å; V125-I162 VanDerWaalsContact O-CA 3.3Å; V125-I162 WeakPolarHBondContact O-CA 3.49Å; W147-I162 HydrophobicContact CD2-CD1 4.35Å; W147-I162 HydrophobicContact CH2-CB 4.19Å; W147-I162 HydrophobicContact CH2-CD1 3.88Å; W147-I162 HydrophobicContact CH2-CG1 3.81Å; W147-I162 HydrophobicContact CZ2-CD1 3.46Å; W147-I162 VanDerWaalsContact CZ2-CD1 3.46Å; W147-I162 HydrophobicContact CZ2-CG1 3.73Å; W147-I162 HydrophobicContact CZ3-CD1 4.48Å; L150-I162 HydrophobicContact CB-CB 4.46Å; L150-I162 HydrophobicContact CB-CD1 3.87Å; L150-I162 HydrophobicContact CB-CG2 4.04Å; L150-I162 HydrophobicContact CD2-CG2 4.24Å; E151-I162 HydrophobicContact CG-CD1 4.44Å; V154-I162 HydrophobicContact CG2-CD1 4.31Å; V154-I162 HydrophobicContact CG2-CG1 4.29Å; V154-I162 HydrophobicContact CG2-CG2 3.58Å; I159-I162 HydrophobicContact CB-CG2 4.38Å; I159-I162 HydrophobicContact CD1-CG2 4.15Å; I159-I162 HydrophobicContact CG2-CG2 3.71Å; I162-V181 HydrophobicContact CD1-CB 4.1Å; I162-V181 HydrophobicContact CD1-CG1 3.93Å; I162-V181 HydrophobicContact CG1-CG1 4.09Å; I162-P183 WeakPolarHBondContact O-CA 3.42Å; I162-N184 PolarHBondContact O-N 3.33Å
163G98.4Very high97.1Very high0 Ų043 Ų430%022%0.224CC..EExtended strand (participates in β ladder)trans-153.6175-177.800000113V125 I126 I127 S185V125-G163 PolarHBondContact O-N 2.87Å; I126-G163 CarbonylContact C-O 3.55Å; I126-G163 WeakPolarHBondContact CA-O 3.47Å; I127-G163 PolarHBondContact N-O 3.17Å; G163-S185 CarbonylContact C-O 3.56Å; G163-S185 WeakPolarHBondContact CA-O 3.42Å
164T97.4Very high97.1Very high2 Ų247.1 Ų47.11%0.01224%0.243CC..EExtended strand (participates in β ladder)trans-118.4169.1-175.954.30000112.2I126 I127 W147 L167 L175 S185 N186 Q187I126-T164 WeakPolarHBondContact CG2-O 3.43Å; I127-T164 HydrophobicContact CG2-CG2 4.37Å; I127-T164 CarbonylContact O-C 3.53Å; W147-T164 HydrophobicContact CE3-CG2 4.13Å; W147-T164 HydrophobicContact CH2-CG2 4.01Å; W147-T164 HydrophobicContact CZ3-CG2 3.44Å; W147-T164 VanDerWaalsContact CZ3-CG2 3.44Å; T164-L167 HydrophobicContact CG2-CD1 3.76Å; T164-L167 HydrophobicContact CG2-CG 4.37Å; T164-L175 HydrophobicContact CG2-CD2 3.44Å; T164-L175 VanDerWaalsContact CG2-CD2 3.44Å; T164-S185 PolarHBondContact N-O 3.44Å; T164-N186 CarbonylContact O-C 3.51Å; T164-N186 WeakPolarHBondContact O-CA 3.45Å; T164-N186 PolarHBondContact O-OD1 2.7Å; T164-N186 PolarHBondContact OG1-OD1 2.95Å; T164-Q187 PolarHBondContact O-N 3.21Å
165S95Very high97.1Very high1 Ų145.5 Ų45.51%0.00723%0.234CC..EExtended strand (participates in β ladder)trans-123.6140.4169.4-160.10000108.9K94 I127 S129 L167 H214K94-S165 PolarHBondContact NZ-OG 3.27Å; I127-S165 PolarHBondContact O-N 2.8Å; S129-S165 PolarHBondContact OG-O 3.24Å; S129-S165 VanDerWaalsContact OG-O 3.1Å; S165-L167 PolarHBondContact O-N 3.01Å; S165-L167 VanDerWaalsContact O-N 3.14Å; S165-H214 PolarHBondContact OG-CE1 3.05Å; S165-H214 PolarHBondContact OG-NE2 3.06Å
166D92.9Very high97.1Very high58 Ų5841.8 Ų41.831%0.3122%0.215SC..SBendtrans59.525.5166.2-54.8-61.3000115.4Q187 N189 H214D166-Q187 PolarHBondContact N-O 2.71Å; D166-N189 VanDerWaalsContact OD1-CB 3.28Å; D166-N189 WeakPolarHBondContact OD1-CB 3.38Å; D166-N189 PolarHBondContact OD1-N 3.25Å; D166-H214 IonicContact OD1-CE1 2.6Å; D166-H214 IonicContact OD1-NE2 3.76Å; D166-H214 PolarHBondContact OD1-NE2 3.1Å; D166-H214 IonicContact OD2-CE1 3.68Å; D166-H214 PolarHBondContact OD2-CE1 3.17Å; D166-H214 IonicContact OD2-NE2 3.57Å; D166-H214 PolarHBondContact OD2-NE2 3.39Å; D166-H214 VanDerWaalsContact OD2-NE2 3.11Å
167L94.4Very high97.1Very high3 Ų345.2 Ų45.22%0.01622%0.224CC..  trans-78.4130.9167.7-59.1-166.2000110L138 L143 T164 S165 Q171 L172 L175 N186L138-L167 HydrophobicContact CD2-CD2 3.49Å; L138-L167 VanDerWaalsContact CD2-CD2 3.49Å; L143-L167 HydrophobicContact CD1-CD1 3.99Å; L143-L167 HydrophobicContact CD1-CD2 3.82Å; T164-L167 HydrophobicContact CG2-CD1 3.76Å; T164-L167 HydrophobicContact CG2-CG 4.37Å; S165-L167 PolarHBondContact O-N 3.01Å; S165-L167 VanDerWaalsContact O-N 3.14Å; L167-Q171 HydrophobicContact CB-CB 4.04Å; L167-Q171 HydrophobicContact CD1-CB 4.47Å; L167-Q171 HydrophobicContact CD2-CB 4.17Å; L167-Q171 HydrophobicContact CG-CB 4.45Å; L167-L172 HydrophobicContact CB-CB 4.07Å; L167-L172 HydrophobicContact CD1-CD1 4.39Å; L167-L175 HydrophobicContact CD1-CD2 3.88Å; L167-N186 PolarHBondContact N-OD1 3.02Å; L167-N186 PolarHBondContact O-ND2 3.27Å
168D93.8Very high97.1Very high79 Ų7941.5 Ų41.542%0.42221%0.206SC..  trans-70.2176.416673.632.1000111.2T170 Q171 L172D168-T170 VanDerWaalsContact C-N 3.29Å; D168-T170 PolarHBondContact O-N 2.97Å; D168-T170 WeakPolarHBondContact OD1-CA 3.42Å; D168-T170 WeakPolarHBondContact OD1-CB 3.31Å; D168-T170 PolarHBondContact OD1-N 2.95Å; D168-Q171 PolarHBondContact O-N 3.09Å; D168-Q171 WeakPolarHBondContact OD1-CG 3.48Å; D168-Q171 PolarHBondContact OD1-N 3.31Å; D168-L172 VanDerWaalsContact O-CB 3.25Å; D168-L172 WeakPolarHBondContact O-CB 3.36Å; D168-L172 PolarHBondContact O-N 2.89Å
169K94.9Very high97.1Very high54 Ų5438.5 Ų38.524%0.23519%0.193CC..Hα-helixtrans-57.6-42.7-179.7-177.8-90.9174.6-1750112.2E173 D199 L200 F203K169-E173 WeakPolarHBondContact CE-OE2 3.33Å; K169-E173 VanDerWaalsContact NZ-CD 3.33Å; K169-E173 IonicContact NZ-OE1 3.62Å; K169-E173 IonicContact NZ-OE2 3.11Å; K169-E173 PolarHBondContact NZ-OE2 3.28Å; K169-E173 VanDerWaalsContact O-CB 3.22Å; K169-E173 WeakPolarHBondContact O-CB 3.45Å; K169-E173 PolarHBondContact O-N 3.31Å; K169-D199 HydrophobicContact CG-CB 4.44Å; K169-L200 HydrophobicContact CB-CB 4.26Å; K169-L200 HydrophobicContact CB-CD1 4.4Å; K169-F203 HydrophobicContact CG-CB 4.25Å
170T96.1Very high97.1Very high77 Ų7745.8 Ų45.847%0.47223%0.227SC..Hα-helixtrans-68.3-47.1-175.5-56.80000110.3D168 E173 Q174D168-T170 VanDerWaalsContact C-N 3.29Å; D168-T170 PolarHBondContact O-N 2.97Å; D168-T170 WeakPolarHBondContact OD1-CA 3.42Å; D168-T170 WeakPolarHBondContact OD1-CB 3.31Å; D168-T170 PolarHBondContact OD1-N 2.95Å; T170-E173 PolarHBondContact O-N 3.35Å; T170-Q174 WeakPolarHBondContact O-CB 3.05Å; T170-Q174 VanDerWaalsContact O-CG 3.27Å; T170-Q174 WeakPolarHBondContact O-CG 3.27Å; T170-Q174 PolarHBondContact O-N 3.31Å
171Q96.4Very high97.1Very high35 Ų3543.7 Ų43.716%0.16422%0.215CC..Hα-helixtrans-64.5-45178.7-67.3167.5-32.300111.7L138 L167 D168 E173 Q174 L175L138-Q171 PolarHBondContact O-NE2 3.09Å; L167-Q171 HydrophobicContact CB-CB 4.04Å; L167-Q171 HydrophobicContact CD1-CB 4.47Å; L167-Q171 HydrophobicContact CD2-CB 4.17Å; L167-Q171 HydrophobicContact CG-CB 4.45Å; D168-Q171 PolarHBondContact O-N 3.09Å; D168-Q171 WeakPolarHBondContact OD1-CG 3.48Å; D168-Q171 PolarHBondContact OD1-N 3.31Å; Q171-E173 VanDerWaalsContact C-N 3.34Å; Q171-E173 PolarHBondContact O-N 2.79Å; Q171-Q174 PolarHBondContact O-N 3.49Å; Q171-L175 WeakPolarHBondContact O-CB 3.46Å; Q171-L175 PolarHBondContact O-N 3.09Å
172L97.5Very high97.1Very high0 Ų046.6 Ų46.60%022%0.223CC..Hα-helixtrans-63.8-40.8178.1-178.161.7000111.4L167 D168 Y176 P183 N186 L200 F203 I209L167-L172 HydrophobicContact CB-CB 4.07Å; L167-L172 HydrophobicContact CD1-CD1 4.39Å; D168-L172 VanDerWaalsContact O-CB 3.25Å; D168-L172 WeakPolarHBondContact O-CB 3.36Å; D168-L172 PolarHBondContact O-N 2.89Å; L172-Y176 WeakPolarHBondContact O-CB 3.1Å; L172-Y176 PolarHBondContact O-N 3.38Å; L172-P183 HydrophobicContact CD1-CB 4.36Å; L172-P183 HydrophobicContact CD1-CG 3.89Å; L172-N186 HydrophobicContact CD1-CB 4.27Å; L172-N186 HydrophobicContact CD2-CB 4.04Å; L172-L200 HydrophobicContact CD2-CD1 3.73Å; L172-F203 HydrophobicContact CD2-CD1 4.14Å; L172-F203 HydrophobicContact CD2-CE1 4.32Å; L172-F203 HydrophobicContact CG-CD1 4.37Å; L172-F203 HydrophobicContact CG-CE1 4.09Å; L172-I209 HydrophobicContact CD1-CD1 4.29Å; L172-I209 HydrophobicContact CD2-CD1 3.99Å; L172-I209 HydrophobicContact CD2-CG2 4.43Å; L172-I209 HydrophobicContact CG-CD1 4.18Å
173E98.1Very high97Very high52 Ų5246.6 Ų46.624%0.24322%0.224CC..Hα-helixtrans-64.9-44.5176.4178.9172.5-129.700112.1K169 T170 Q171 L175 Y176 Q177 F203K169-E173 WeakPolarHBondContact CE-OE2 3.33Å; K169-E173 VanDerWaalsContact NZ-CD 3.33Å; K169-E173 IonicContact NZ-OE1 3.62Å; K169-E173 IonicContact NZ-OE2 3.11Å; K169-E173 PolarHBondContact NZ-OE2 3.28Å; K169-E173 VanDerWaalsContact O-CB 3.22Å; K169-E173 WeakPolarHBondContact O-CB 3.45Å; K169-E173 PolarHBondContact O-N 3.31Å; T170-E173 PolarHBondContact O-N 3.35Å; Q171-E173 VanDerWaalsContact C-N 3.34Å; Q171-E173 PolarHBondContact O-N 2.79Å; E173-L175 PolarHBondContact O-N 3.32Å; E173-Y176 PolarHBondContact O-N 3.36Å; E173-Q177 HydrophobicContact CG-CG 4.4Å; E173-Q177 WeakPolarHBondContact O-CB 3.45Å; E173-Q177 VanDerWaalsContact O-CG 3.28Å; E173-Q177 WeakPolarHBondContact O-CG 3.37Å; E173-Q177 PolarHBondContact O-N 3.24Å; E173-F203 HydrophobicContact CB-CD2 4.36Å; E173-F203 HydrophobicContact CB-CE1 4.27Å; E173-F203 HydrophobicContact CB-CE2 3.7Å; E173-F203 HydrophobicContact CB-CZ 3.67Å; E173-F203 HydrophobicContact CG-CD2 4.44Å; E173-F203 HydrophobicContact CG-CE2 3.58Å; E173-F203 HydrophobicContact CG-CZ 3.86Å
174Q98.1Very high97Very high86 Ų8650.2 Ų50.240%0.40224%0.243SC..Hα-helixtrans-58.6-48.3175.6-75.8173.8-14.700111.6L140 T170 Q171 Q177 W178L140-Q174 HydrophobicContact CD2-CB 4.43Å; T170-Q174 WeakPolarHBondContact O-CB 3.05Å; T170-Q174 VanDerWaalsContact O-CG 3.27Å; T170-Q174 WeakPolarHBondContact O-CG 3.27Å; T170-Q174 PolarHBondContact O-N 3.31Å; Q171-Q174 PolarHBondContact O-N 3.49Å; Q174-Q177 PolarHBondContact O-N 3.44Å; Q174-W178 WeakPolarHBondContact O-CB 3.39Å; Q174-W178 PolarHBondContact O-N 3.45Å; Q174-W178 VanDerWaalsContact O-N 3.11Å
175L98.1Very high97.1Very high0 Ų050.5 Ų50.50%025%0.245CC..Hα-helixtrans-60.8-47.6175.9178.164.6000111.1L140 W147 T164 L167 Q171 E173 Q177 W178 A179 P183L140-L175 HydrophobicContact CD1-CB 4Å; L140-L175 HydrophobicContact CD1-CD1 3.73Å; W147-L175 HydrophobicContact CB-CD1 4.35Å; W147-L175 HydrophobicContact CD2-CD1 3.9Å; W147-L175 HydrophobicContact CD2-CD2 4.13Å; W147-L175 HydrophobicContact CD2-CG 4.44Å; W147-L175 HydrophobicContact CE3-CD1 4.49Å; W147-L175 HydrophobicContact CE3-CD2 4.04Å; W147-L175 HydrophobicContact CG-CD1 3.8Å; W147-L175 HydrophobicContact CH2-CD2 4.3Å; W147-L175 HydrophobicContact CZ2-CD2 4.36Å; W147-L175 HydrophobicContact CZ3-CD2 4.14Å; T164-L175 HydrophobicContact CG2-CD2 3.44Å; T164-L175 VanDerWaalsContact CG2-CD2 3.44Å; L167-L175 HydrophobicContact CD1-CD2 3.88Å; Q171-L175 WeakPolarHBondContact O-CB 3.46Å; Q171-L175 PolarHBondContact O-N 3.09Å; E173-L175 PolarHBondContact O-N 3.32Å; L175-Q177 VanDerWaalsContact C-N 3.31Å; L175-Q177 PolarHBondContact O-N 2.79Å; L175-W178 HydrophobicContact CD1-CE3 3.96Å; L175-W178 HydrophobicContact CD1-CZ3 4.03Å; L175-W178 PolarHBondContact O-N 3.42Å; L175-A179 HydrophobicContact CD1-CB 4.44Å; L175-A179 WeakPolarHBondContact O-CB 3.29Å; L175-A179 PolarHBondContact O-N 3.2Å; L175-P183 HydrophobicContact CD2-CG 4.43Å
176Y98.4Very high97.2Very high45 Ų4550.4 Ų50.418%0.17624%0.244CC..Hα-helixtrans-60.4-40.4-179.2-173.5-83.8000111.9L172 E173 K182 P183 F203 F207 I209L172-Y176 WeakPolarHBondContact O-CB 3.1Å; L172-Y176 PolarHBondContact O-N 3.38Å; E173-Y176 PolarHBondContact O-N 3.36Å; Y176-K182 HydrophobicContact CD1-CD 4.36Å; Y176-K182 HydrophobicContact CD2-CB 4Å; Y176-K182 HydrophobicContact CD2-CD 4.17Å; Y176-K182 HydrophobicContact CD2-CG 4.34Å; Y176-K182 HydrophobicContact CE1-CD 4.21Å; Y176-K182 HydrophobicContact CE2-CB 3.61Å; Y176-K182 HydrophobicContact CE2-CD 4.04Å; Y176-K182 HydrophobicContact CE2-CG 3.81Å; Y176-K182 HydrophobicContact CG-CD 4.32Å; Y176-K182 VanDerWaalsContact O-CD 3.29Å; Y176-K182 WeakPolarHBondContact O-CD 3.38Å; Y176-K182 WeakPolarHBondContact O-CE 3.38Å; Y176-K182 PolarHBondContact O-NZ 3.29Å; Y176-P183 HydrophobicContact CD2-CG 4.11Å; Y176-F203 HydrophobicContact CD1-CZ 4.44Å; Y176-F203 HydrophobicContact CG-CZ 4.28Å; Y176-F207 HydrophobicContact CD1-CD1 4.36Å; Y176-F207 HydrophobicContact CD2-CB 4.47Å; Y176-F207 HydrophobicContact CE1-CB 4.38Å; Y176-F207 AromaticContact CE1-CD1 3.49Å; Y176-F207 HydrophobicContact CE1-CD1 3.49Å; Y176-F207 VanDerWaalsContact CE1-CD1 3.49Å; Y176-F207 AromaticContact CE1-CE1 3.87Å; Y176-F207 HydrophobicContact CE1-CE1 3.87Å; Y176-F207 AromaticContact CE1-CG 3.96Å; Y176-F207 HydrophobicContact CE1-CG 3.96Å; Y176-F207 HydrophobicContact CE2-CB 3.81Å; Y176-F207 HydrophobicContact CE2-CD1 4.39Å; Y176-F207 HydrophobicContact CE2-CG 4.28Å; Y176-F207 AromaticContact CZ-CD1 3.51Å; Y176-F207 AromaticContact CZ-CG 3.84Å; Y176-F207 WeakPolarHBondContact OH-CD1 3.41Å; Y176-I209 HydrophobicContact CD2-CD1 3.77Å; Y176-I209 HydrophobicContact CD2-CG1 4.47Å; Y176-I209 HydrophobicContact CE2-CD1 4.18Å; Y176-I209 HydrophobicContact CE2-CG1 4.45Å
177Q98.1Very high97.4Very high133 Ų13348.8 Ų48.862%0.62124%0.235SC*.Hα-helixtrans-67.9-42.1178.8-73.2174.82.800112E173 Q174 L175E173-Q177 HydrophobicContact CG-CG 4.4Å; E173-Q177 WeakPolarHBondContact O-CB 3.45Å; E173-Q177 VanDerWaalsContact O-CG 3.28Å; E173-Q177 WeakPolarHBondContact O-CG 3.37Å; E173-Q177 PolarHBondContact O-N 3.24Å; Q174-Q177 PolarHBondContact O-N 3.44Å; L175-Q177 VanDerWaalsContact C-N 3.31Å; L175-Q177 PolarHBondContact O-N 2.79Å
178W98.6Very high97.3Very high80 Ų8049.4 Ų49.430%0.30324%0.239SC..Hα-helixtrans-77.6-40.8-176.7168.484.4000113.8L140 Q144 W147 E148 Q174 L175L140-W178 HydrophobicContact CD1-CE3 4.15Å; L140-W178 HydrophobicContact CD2-CB 3.88Å; L140-W178 HydrophobicContact CD2-CD2 4.39Å; L140-W178 HydrophobicContact CD2-CG 4.02Å; Q144-W178 HydrophobicContact CB-CH2 3.87Å; Q144-W178 HydrophobicContact CB-CZ2 4.04Å; Q144-W178 HydrophobicContact CG-CD2 4.32Å; Q144-W178 HydrophobicContact CG-CE3 4.34Å; Q144-W178 HydrophobicContact CG-CH2 3.62Å; Q144-W178 HydrophobicContact CG-CZ2 3.6Å; Q144-W178 HydrophobicContact CG-CZ3 4Å; Q144-W178 VanDerWaalsContact NE2-CE2 3.27Å; Q144-W178 VanDerWaalsContact NE2-NE1 3.19Å; W147-W178 HydrophobicContact CB-CH2 4.47Å; W147-W178 HydrophobicContact CB-CZ3 4.06Å; W147-W178 AromaticContact CD1-CZ3 3.73Å; W147-W178 HydrophobicContact CG-CZ3 4.15Å; E148-W178 HydrophobicContact CG-CH2 3.81Å; E148-W178 HydrophobicContact CG-CZ2 4.15Å; Q174-W178 WeakPolarHBondContact O-CB 3.39Å; Q174-W178 PolarHBondContact O-N 3.45Å; Q174-W178 VanDerWaalsContact O-N 3.11Å; L175-W178 HydrophobicContact CD1-CE3 3.96Å; L175-W178 HydrophobicContact CD1-CZ3 4.03Å; L175-W178 PolarHBondContact O-N 3.42Å
179A98.4Very high97.1Very high1 Ų146.4 Ų46.41%0.00822%0.223CC..  trans-64144.5-171.500000113.5W147 E151 L175 V181 K182W147-A179 VanDerWaalsContact NE1-CB 3.28Å; E151-A179 WeakPolarHBondContact OE1-CB 3.47Å; L175-A179 HydrophobicContact CD1-CB 4.44Å; L175-A179 WeakPolarHBondContact O-CB 3.29Å; L175-A179 PolarHBondContact O-N 3.2Å; A179-V181 WeakPolarHBondContact CB-O 3.36Å; A179-K182 WeakPolarHBondContact O-CE 3.43Å; A179-K182 PolarHBondContact O-NZ 2.77Å
180Q98.2Very high96.6Very high154 Ų15448.2 Ų48.272%0.7223%0.234SC*.SBendtrans-78.5-45.3169.9-60.6-57.7-54.600111.2E151E151-Q180 WeakPolarHBondContact OE1-CA 3.39Å; E151-Q180 PolarHBondContact OE1-N 2.87Å
181V98.5Very high95.8Very high35 Ų3549 Ų4921%0.21225%0.249CC..SBendtrans-97.1114.4171-174.10000108.1W147 E151 V154 I162 A179W147-V181 PolarHBondContact NE1-O 3.47Å; W147-V181 VanDerWaalsContact NE1-O 3.1Å; E151-V181 HydrophobicContact CB-CB 4.39Å; E151-V181 HydrophobicContact CB-CG2 3.94Å; E151-V181 HydrophobicContact CG-CB 3.91Å; E151-V181 HydrophobicContact CG-CG2 3.98Å; E151-V181 PolarHBondContact OE1-N 3.04Å; V154-V181 HydrophobicContact CB-CG1 4.43Å; V154-V181 HydrophobicContact CB-CG2 4.48Å; V154-V181 HydrophobicContact CG1-CG1 4.12Å; V154-V181 HydrophobicContact CG1-CG2 4.42Å; V154-V181 HydrophobicContact CG2-CG1 4.34Å; I162-V181 HydrophobicContact CD1-CB 4.1Å; I162-V181 HydrophobicContact CD1-CG1 3.93Å; I162-V181 HydrophobicContact CG1-CG1 4.09Å; A179-V181 WeakPolarHBondContact CB-O 3.36Å
182K98.4Very high94.6Very high81 Ų8152 Ų5235%0.35227%0.274SS..  trans-71.3143-174.7-54.4-53.6-178-174.70111.4Y176 A179 N184Y176-K182 HydrophobicContact CD1-CD 4.36Å; Y176-K182 HydrophobicContact CD2-CB 4Å; Y176-K182 HydrophobicContact CD2-CD 4.17Å; Y176-K182 HydrophobicContact CD2-CG 4.34Å; Y176-K182 HydrophobicContact CE1-CD 4.21Å; Y176-K182 HydrophobicContact CE2-CB 3.61Å; Y176-K182 HydrophobicContact CE2-CD 4.04Å; Y176-K182 HydrophobicContact CE2-CG 3.81Å; Y176-K182 HydrophobicContact CG-CD 4.32Å; Y176-K182 VanDerWaalsContact O-CD 3.29Å; Y176-K182 WeakPolarHBondContact O-CD 3.38Å; Y176-K182 WeakPolarHBondContact O-CE 3.38Å; Y176-K182 PolarHBondContact O-NZ 3.29Å; A179-K182 WeakPolarHBondContact O-CE 3.43Å; A179-K182 PolarHBondContact O-NZ 2.77Å; K182-N184 PolarHBondContact O-N 2.91Å
183P98.3Very high93Very high3 Ų354 Ų542%0.01929%0.287CS..  trans-60.9123.217224.6-32.7000109.5W147 I162 L172 L175 Y176W147-P183 HydrophobicContact CH2-CB 3.59Å; W147-P183 HydrophobicContact CZ2-CB 3.79Å; W147-P183 HydrophobicContact CZ2-CG 4.34Å; I162-P183 WeakPolarHBondContact O-CA 3.42Å; L172-P183 HydrophobicContact CD1-CB 4.36Å; L172-P183 HydrophobicContact CD1-CG 3.89Å; L175-P183 HydrophobicContact CD2-CG 4.43Å; Y176-P183 HydrophobicContact CD2-CG 4.11Å
184N98.4Very high91.5Very high75 Ų7557.7 Ų57.740%0.40132%0.317SS..SBendtrans-83.5-19.2176.2179-110.5000112.3A161 I162 K182 Q210A161-N184 HydrophobicContact CB-CB 4.1Å; I162-N184 PolarHBondContact O-N 3.33Å; K182-N184 PolarHBondContact O-N 2.91Å; N184-Q210 PolarHBondContact O-N 3.01Å
185S98.4Very high90.6Very high8 Ų858.7 Ų58.76%0.05633%0.329CS..EExtended strand (participates in β ladder)trans-147152.3178.966.10000112.4G163 T164 Q210G163-S185 CarbonylContact C-O 3.56Å; G163-S185 WeakPolarHBondContact CA-O 3.42Å; T164-S185 PolarHBondContact N-O 3.44Å; S185-Q210 CarbonylContact C-O 3.55Å; S185-Q210 WeakPolarHBondContact CA-O 3.46Å; S185-Q210 VanDerWaalsContact CB-O 3.31Å; S185-Q210 WeakPolarHBondContact CB-O 3.26Å
186N97.6Very high89.9Confident0 Ų061 Ų610%034%0.34CS..EExtended strand (participates in β ladder)trans-130.6126.6166.7-173.547.2000109.5T164 L167 L172 I209 Q210 L211 L212T164-N186 CarbonylContact O-C 3.51Å; T164-N186 WeakPolarHBondContact O-CA 3.45Å; T164-N186 PolarHBondContact O-OD1 2.7Å; T164-N186 PolarHBondContact OG1-OD1 2.95Å; L167-N186 PolarHBondContact N-OD1 3.02Å; L167-N186 PolarHBondContact O-ND2 3.27Å; L172-N186 HydrophobicContact CD1-CB 4.27Å; L172-N186 HydrophobicContact CD2-CB 4.04Å; N186-I209 HydrophobicContact CB-CG2 4.35Å; N186-Q210 PolarHBondContact N-O 2.97Å; N186-L211 HydrophobicContact CB-CD2 3.96Å; N186-L211 WeakPolarHBondContact O-CA 3.43Å; N186-L212 PolarHBondContact O-N 2.89Å
187Q95.9Very high89.4Confident24 Ų2460.9 Ų60.911%0.11235%0.345CS..EExtended strand (participates in β ladder)trans-85.2147173.8-90.1-176-2.400111.1I126 T164 D166 L212I126-Q187 HydrophobicContact CD1-CG 3.97Å; T164-Q187 PolarHBondContact O-N 3.21Å; D166-Q187 PolarHBondContact N-O 2.71Å; Q187-L212 CarbonylContact C-O 3.52Å; Q187-L212 VanDerWaalsContact CA-O 3.3Å; Q187-L212 WeakPolarHBondContact CA-O 3.41Å; Q187-L212 HydrophobicContact CG-CB 3.66Å; Q187-L212 HydrophobicContact CG-CD1 4.44Å
188V92.7Very high89.1Confident15 Ų1559.7 Ų59.79%0.09135%0.349CS..EExtended strand (participates in β ladder)trans-129.8130175.1178.70000110.3L190 C193 M196 L200 L212 T213 H214V188-L190 PolarHBondContact O-N 2.91Å; V188-C193 HydrophobicContact CG1-CB 4.36Å; V188-M196 HydrophobicContact CB-CE 3.72Å; V188-M196 HydrophobicContact CB-SD 3.67Å; V188-M196 HydrophobicContact CG1-CE 4.32Å; V188-M196 HydrophobicContact CG1-SD 3.75Å; V188-M196 HydrophobicContact CG2-CE 3.34Å; V188-M196 HydrophobicContact CG2-SD 3.92Å; V188-L200 HydrophobicContact CG2-CD2 3.93Å; V188-L212 PolarHBondContact N-O 3.28Å; V188-T213 WeakPolarHBondContact O-CA 3.37Å; V188-H214 PolarHBondContact O-CD2 3.37Å; V188-H214 PolarHBondContact O-N 3.38Å; V188-H214 VanDerWaalsContact O-N 3.17Å
189N89.3Confident89Confident17 Ų1760 Ų609%0.09136%0.357CS..EExtended strand (participates in β ladder)trans-71.2123.5-179.8-160.4-35.9000112.3D166 A191 S192 C193 H214 D216D166-N189 VanDerWaalsContact OD1-CB 3.28Å; D166-N189 WeakPolarHBondContact OD1-CB 3.38Å; D166-N189 PolarHBondContact OD1-N 3.25Å; N189-A191 PolarHBondContact O-N 3.43Å; N189-A191 VanDerWaalsContact OD1-CB 3.31Å; N189-A191 WeakPolarHBondContact OD1-CB 3.44Å; N189-A191 PolarHBondContact OD1-N 2.71Å; N189-S192 PolarHBondContact O-N 2.68Å; N189-C193 PolarHBondContact O-N 2.72Å; N189-H214 WeakPolarHBondContact CA-NE2 3.43Å; N189-H214 WeakPolarHBondContact CA-O 3.45Å; N189-H214 PolarHBondContact N-NE2 3.11Å; N189-D216 PolarHBondContact ND2-O 2.65Å
190L84.8Confident88.9Confident91 Ų9160.2 Ų60.248%0.47636%0.358SS..THydrogen-bonded Turntrans-63.2-25.6177.1-67.8175.4000113.2V188 S192 T213 H214V188-L190 PolarHBondContact O-N 2.91Å; L190-S192 PolarHBondContact O-N 2.94Å; L190-T213 HydrophobicContact CD2-CG2 3.69Å; L190-T213 HydrophobicContact CG-CG2 4.4Å; L190-H214 PolarHBondContact N-O 3.12Å
191A80.1Confident88.7Confident94 Ų9455.7 Ų55.778%0.77734%0.341SS*.THydrogen-bonded Turntrans-68-26.8175.200000112.3N189N189-A191 PolarHBondContact O-N 3.43Å; N189-A191 VanDerWaalsContact OD1-CB 3.31Å; N189-A191 WeakPolarHBondContact OD1-CB 3.44Å; N189-A191 PolarHBondContact OD1-N 2.71Å
192S70.6Confident88.7Confident99 Ų9956.9 Ų56.969%0.69235%0.354SS*.THydrogen-bonded Turntrans-94.6-21.4-177.9-58.10000112.7N189 L190N189-S192 PolarHBondContact O-N 2.68Å; L190-S192 PolarHBondContact O-N 2.94Å
193C63.9Low88.7Confident40 Ų4053.4 Ų53.427%0.2734%0.339SS..  trans-157.4116.5-175.5-1360000111.9V188 N189 V195V188-C193 HydrophobicContact CG1-CB 4.36Å; N189-C193 PolarHBondContact O-N 2.72Å; C193-V195 PolarHBondContact SG-O 3.22Å
194C67.4Low88.7Confident131 Ų13153.3 Ų53.389%0.88534%0.338SS*.SBendtrans-81.5-16.8171.257.40000113
195V78.5Confident88.6Confident107 Ų10758.3 Ų58.365%0.64836%0.356SS*.SBendtrans-132.2120.8177.9179.50000108.4C193C193-V195 PolarHBondContact SG-O 3.22Å
196M82.9Confident88.6Confident47 Ų4764.8 Ų64.823%0.23239%0.386CS..  trans-59.2136.3-179-63.5-68.8-81.500111.5V188 L211V188-M196 HydrophobicContact CB-CE 3.72Å; V188-M196 HydrophobicContact CB-SD 3.67Å; V188-M196 HydrophobicContact CG1-CE 4.32Å; V188-M196 HydrophobicContact CG1-SD 3.75Å; V188-M196 HydrophobicContact CG2-CE 3.34Å; V188-M196 HydrophobicContact CG2-SD 3.92Å; M196-L211 HydrophobicContact CE-CB 3.69Å; M196-L211 HydrophobicContact CE-CD1 3.68Å; M196-L211 HydrophobicContact CE-CD2 4.3Å; M196-L211 HydrophobicContact CE-CG 4.09Å
197P87.9Confident88.6Confident44 Ų4468 Ų6829%0.28640%0.4SS..  trans-55.4130176.9-26.134.5000111.6D199 L200 T201P197-D199 VanDerWaalsContact C-N 3.29Å; P197-D199 WeakPolarHBondContact CB-OD1 3.49Å; P197-D199 PolarHBondContact O-N 3.1Å; P197-L200 HydrophobicContact CB-CB 4.02Å; P197-L200 PolarHBondContact O-N 3.01Å; P197-T201 WeakPolarHBondContact O-CB 3.45Å; P197-T201 PolarHBondContact O-N 3.24Å; P197-T201 PolarHBondContact O-OG1 3.32Å
198P93.1Very high88.7Confident108 Ų10873.4 Ų73.470%0.70143%0.43SS*.Hα-helixtrans-61.4-35-176.1-2735.2000114.1T201 A202P198-T201 PolarHBondContact O-N 3.07Å; P198-A202 WeakPolarHBondContact O-CB 3.23Å; P198-A202 PolarHBondContact O-N 2.87Å
199D95.4Very high89Confident87 Ų8773 Ų7347%0.46543%0.427SS..Hα-helixtrans-69.2-44.7177.962.7-29.2000112.1K169 P197 T201 A202 F203K169-D199 HydrophobicContact CG-CB 4.44Å; P197-D199 VanDerWaalsContact C-N 3.29Å; P197-D199 WeakPolarHBondContact CB-OD1 3.49Å; P197-D199 PolarHBondContact O-N 3.1Å; D199-T201 VanDerWaalsContact C-N 3.3Å; D199-T201 PolarHBondContact O-N 3.25Å; D199-A202 PolarHBondContact O-N 2.83Å; D199-F203 WeakPolarHBondContact O-CB 3.42Å; D199-F203 PolarHBondContact O-N 2.64Å
200L95.5Very high89.4Confident5 Ų577 Ų773%0.02645%0.445CS..Hα-helixtrans-59.8-43.3171.8179.162.7000110.6K169 L172 V188 P197 F203 A204 L211K169-L200 HydrophobicContact CB-CB 4.26Å; K169-L200 HydrophobicContact CB-CD1 4.4Å; L172-L200 HydrophobicContact CD2-CD1 3.73Å; V188-L200 HydrophobicContact CG2-CD2 3.93Å; P197-L200 HydrophobicContact CB-CB 4.02Å; P197-L200 PolarHBondContact O-N 3.01Å; L200-F203 PolarHBondContact O-N 3.43Å; L200-A204 VanDerWaalsContact O-CB 3.22Å; L200-A204 WeakPolarHBondContact O-CB 3.33Å; L200-A204 PolarHBondContact O-N 3.44Å; L200-L211 HydrophobicContact CG-CD1 4.29Å; L200-L211 HydrophobicContact CG-CD2 4.35Å
201T95.8Very high89.9Confident59 Ų5974.8 Ų74.836%0.36243%0.434SS..Hα-helixtrans-63.1-44178.2-56.40000111.7P197 P198 D199 K205P197-T201 WeakPolarHBondContact O-CB 3.45Å; P197-T201 PolarHBondContact O-N 3.24Å; P197-T201 PolarHBondContact O-OG1 3.32Å; P198-T201 PolarHBondContact O-N 3.07Å; D199-T201 VanDerWaalsContact C-N 3.3Å; D199-T201 PolarHBondContact O-N 3.25Å; T201-K205 VanDerWaalsContact O-CB 3.26Å; T201-K205 WeakPolarHBondContact O-CB 3.32Å; T201-K205 PolarHBondContact O-N 3.05Å
202A97.7Very high90.6Very high59 Ų5972.9 Ų72.949%0.48841%0.41SS..Hα-helixtrans-64.3-46.117800000111.6P198 D199 K205 Q206P198-A202 WeakPolarHBondContact O-CB 3.23Å; P198-A202 PolarHBondContact O-N 2.87Å; D199-A202 PolarHBondContact O-N 2.83Å; A202-K205 PolarHBondContact O-N 2.95Å; A202-Q206 WeakPolarHBondContact O-CB 3.47Å; A202-Q206 PolarHBondContact O-N 3.18Å
203F98.1Very high91.7Very high9 Ų972.2 Ų72.24%0.03940%0.402CS..Hα-helixtrans-61-50.2176.6-177.1-92.4000111.4K169 L172 E173 Y176 D199 L200 K205 Q206 F207 I209K169-F203 HydrophobicContact CG-CB 4.25Å; L172-F203 HydrophobicContact CD2-CD1 4.14Å; L172-F203 HydrophobicContact CD2-CE1 4.32Å; L172-F203 HydrophobicContact CG-CD1 4.37Å; L172-F203 HydrophobicContact CG-CE1 4.09Å; E173-F203 HydrophobicContact CB-CD2 4.36Å; E173-F203 HydrophobicContact CB-CE1 4.27Å; E173-F203 HydrophobicContact CB-CE2 3.7Å; E173-F203 HydrophobicContact CB-CZ 3.67Å; E173-F203 HydrophobicContact CG-CD2 4.44Å; E173-F203 HydrophobicContact CG-CE2 3.58Å; E173-F203 HydrophobicContact CG-CZ 3.86Å; Y176-F203 HydrophobicContact CD1-CZ 4.44Å; Y176-F203 HydrophobicContact CG-CZ 4.28Å; D199-F203 WeakPolarHBondContact O-CB 3.42Å; D199-F203 PolarHBondContact O-N 2.64Å; L200-F203 PolarHBondContact O-N 3.43Å; F203-K205 VanDerWaalsContact C-N 3.32Å; F203-K205 PolarHBondContact O-N 3.44Å; F203-Q206 WeakPolarHBondContact O-CB 3.46Å; F203-Q206 PolarHBondContact O-N 3.29Å; F203-Q206 VanDerWaalsContact O-N 3.13Å; F203-F207 HydrophobicContact CD1-CD2 4.24Å; F203-F207 AromaticContact CD2-CD2 3.78Å; F203-F207 HydrophobicContact CD2-CD2 3.78Å; F203-F207 AromaticContact CD2-CE2 3.65Å; F203-F207 HydrophobicContact CD2-CE2 3.65Å; F203-F207 AromaticContact CE1-CD2 3.95Å; F203-F207 HydrophobicContact CE1-CD2 3.95Å; F203-F207 AromaticContact CE2-CD2 3.48Å; F203-F207 HydrophobicContact CE2-CD2 3.48Å; F203-F207 VanDerWaalsContact CE2-CD2 3.48Å; F203-F207 AromaticContact CE2-CE2 3.24Å; F203-F207 HydrophobicContact CE2-CE2 3.24Å; F203-F207 HydrophobicContact CE2-CZ 4.28Å; F203-F207 HydrophobicContact CG-CD2 4.14Å; F203-F207 HydrophobicContact CG-CE2 4.46Å; F203-F207 AromaticContact CZ-CD2 3.55Å; F203-F207 HydrophobicContact CZ-CD2 3.55Å; F203-F207 AromaticContact CZ-CE2 3.74Å; F203-F207 HydrophobicContact CZ-CE2 3.74Å; F203-F207 HydrophobicContact CZ-CG 4.41Å; F203-F207 WeakPolarHBondContact O-CD2 3.25Å; F203-F207 PolarHBondContact O-N 3.48Å; F203-F207 VanDerWaalsContact O-N 3.12Å; F203-I209 HydrophobicContact CD1-CD1 4.3Å; F203-I209 HydrophobicContact CE1-CD1 3.88Å
204A97.7Very high93Very high1 Ų170.8 Ų70.81%0.00839%0.391CS..Hα-helixtrans-60.2-42.6179.900000111.9L200 Q206 F207 D208 I209 L211L200-A204 VanDerWaalsContact O-CB 3.22Å; L200-A204 WeakPolarHBondContact O-CB 3.33Å; L200-A204 PolarHBondContact O-N 3.44Å; A204-Q206 PolarHBondContact O-N 3Å; A204-F207 PolarHBondContact O-N 2.94Å; A204-D208 PolarHBondContact O-N 2.86Å; A204-I209 HydrophobicContact CB-CB 4.04Å; A204-I209 WeakPolarHBondContact CB-O 3.23Å; A204-I209 PolarHBondContact O-N 3.24Å; A204-L211 HydrophobicContact CB-CD1 3.67Å; A204-L211 HydrophobicContact CB-CD2 3.74Å; A204-L211 HydrophobicContact CB-CG 3.56Å
205K97.7Very high94.1Very high179 Ų17969.4 Ų69.478%0.77838%0.375SS*.Hα-helixtrans-63.3-40.5174.8-175.9179.2179.8-178.60112.6T201 A202 F203 F207T201-K205 VanDerWaalsContact O-CB 3.26Å; T201-K205 WeakPolarHBondContact O-CB 3.32Å; T201-K205 PolarHBondContact O-N 3.05Å; A202-K205 PolarHBondContact O-N 2.95Å; F203-K205 VanDerWaalsContact C-N 3.32Å; F203-K205 PolarHBondContact O-N 3.44Å; K205-F207 VanDerWaalsContact C-N 3.28Å; K205-F207 PolarHBondContact O-N 3.18Å
206Q98.1Very high94.7Very high144 Ų14464.5 Ų64.567%0.67335%0.345SS*.Hα-helixtrans-62.7-36.5179.9177179.2-10.400112.2A202 F203 A204A202-Q206 WeakPolarHBondContact O-CB 3.47Å; A202-Q206 PolarHBondContact O-N 3.18Å; F203-Q206 WeakPolarHBondContact O-CB 3.46Å; F203-Q206 PolarHBondContact O-N 3.29Å; F203-Q206 VanDerWaalsContact O-N 3.13Å; A204-Q206 PolarHBondContact O-N 3Å
207F97.8Very high94.9Very high68 Ų6864.6 Ų64.630%0.29835%0.349SS..THydrogen-bonded Turntrans-107.615.9-175.2-66.2-73.1000114Y176 F203 A204 K205 I209Y176-F207 HydrophobicContact CD1-CD1 4.36Å; Y176-F207 HydrophobicContact CD2-CB 4.47Å; Y176-F207 HydrophobicContact CE1-CB 4.38Å; Y176-F207 AromaticContact CE1-CD1 3.49Å; Y176-F207 HydrophobicContact CE1-CD1 3.49Å; Y176-F207 VanDerWaalsContact CE1-CD1 3.49Å; Y176-F207 AromaticContact CE1-CE1 3.87Å; Y176-F207 HydrophobicContact CE1-CE1 3.87Å; Y176-F207 AromaticContact CE1-CG 3.96Å; Y176-F207 HydrophobicContact CE1-CG 3.96Å; Y176-F207 HydrophobicContact CE2-CB 3.81Å; Y176-F207 HydrophobicContact CE2-CD1 4.39Å; Y176-F207 HydrophobicContact CE2-CG 4.28Å; Y176-F207 AromaticContact CZ-CD1 3.51Å; Y176-F207 AromaticContact CZ-CG 3.84Å; Y176-F207 WeakPolarHBondContact OH-CD1 3.41Å; F203-F207 HydrophobicContact CD1-CD2 4.24Å; F203-F207 AromaticContact CD2-CD2 3.78Å; F203-F207 HydrophobicContact CD2-CD2 3.78Å; F203-F207 AromaticContact CD2-CE2 3.65Å; F203-F207 HydrophobicContact CD2-CE2 3.65Å; F203-F207 AromaticContact CE1-CD2 3.95Å; F203-F207 HydrophobicContact CE1-CD2 3.95Å; F203-F207 AromaticContact CE2-CD2 3.48Å; F203-F207 HydrophobicContact CE2-CD2 3.48Å; F203-F207 VanDerWaalsContact CE2-CD2 3.48Å; F203-F207 AromaticContact CE2-CE2 3.24Å; F203-F207 HydrophobicContact CE2-CE2 3.24Å; F203-F207 HydrophobicContact CE2-CZ 4.28Å; F203-F207 HydrophobicContact CG-CD2 4.14Å; F203-F207 HydrophobicContact CG-CE2 4.46Å; F203-F207 AromaticContact CZ-CD2 3.55Å; F203-F207 HydrophobicContact CZ-CD2 3.55Å; F203-F207 AromaticContact CZ-CE2 3.74Å; F203-F207 HydrophobicContact CZ-CE2 3.74Å; F203-F207 HydrophobicContact CZ-CG 4.41Å; F203-F207 WeakPolarHBondContact O-CD2 3.25Å; F203-F207 PolarHBondContact O-N 3.48Å; F203-F207 VanDerWaalsContact O-N 3.12Å; A204-F207 PolarHBondContact O-N 2.94Å; K205-F207 VanDerWaalsContact C-N 3.28Å; K205-F207 PolarHBondContact O-N 3.18Å; F207-I209 VanDerWaalsContact C-N 3.27Å; F207-I209 HydrophobicContact CB-CD1 4.18Å; F207-I209 HydrophobicContact CB-CG1 4.11Å; F207-I209 PolarHBondContact O-N 3.42Å
208D97.8Very high94.6Very high137 Ų13772 Ų7273%0.73338%0.377SS*.THydrogen-bonded Turntrans52.441.4-179.9-161.838.6000114A204A204-D208 PolarHBondContact O-N 2.86Å
209I98.5Very high94.1Very high8 Ų872.6 Ų72.64%0.04137%0.371CS..PPolyproline II helixtrans-92.2120.9175.1-52.2176.5000108.3L172 Y176 N186 F203 A204 F207 L211L172-I209 HydrophobicContact CD1-CD1 4.29Å; L172-I209 HydrophobicContact CD2-CD1 3.99Å; L172-I209 HydrophobicContact CD2-CG2 4.43Å; L172-I209 HydrophobicContact CG-CD1 4.18Å; Y176-I209 HydrophobicContact CD2-CD1 3.77Å; Y176-I209 HydrophobicContact CD2-CG1 4.47Å; Y176-I209 HydrophobicContact CE2-CD1 4.18Å; Y176-I209 HydrophobicContact CE2-CG1 4.45Å; N186-I209 HydrophobicContact CB-CG2 4.35Å; F203-I209 HydrophobicContact CD1-CD1 4.3Å; F203-I209 HydrophobicContact CE1-CD1 3.88Å; A204-I209 HydrophobicContact CB-CB 4.04Å; A204-I209 WeakPolarHBondContact CB-O 3.23Å; A204-I209 PolarHBondContact O-N 3.24Å; F207-I209 VanDerWaalsContact C-N 3.27Å; F207-I209 HydrophobicContact CB-CD1 4.18Å; F207-I209 HydrophobicContact CB-CG1 4.11Å; F207-I209 PolarHBondContact O-N 3.42Å; I209-L211 PolarHBondContact O-N 2.9Å
210Q97.9Very high93.9Very high99 Ų9969 Ų6946%0.46335%0.351SS..EExtended strand (participates in β ladder)trans-71.6118.6176.5-173.1175.249.800110.8N184 S185 N186 L212N184-Q210 PolarHBondContact O-N 3.01Å; S185-Q210 CarbonylContact C-O 3.55Å; S185-Q210 WeakPolarHBondContact CA-O 3.46Å; S185-Q210 VanDerWaalsContact CB-O 3.31Å; S185-Q210 WeakPolarHBondContact CB-O 3.26Å; N186-Q210 PolarHBondContact N-O 2.97Å; Q210-L212 HydrophobicContact CG-CD2 3.83Å; Q210-L212 HydrophobicContact CG-CG 4.02Å
211L96.4Very high93.7Very high46 Ų4669.2 Ų69.224%0.24135%0.352CS..EExtended strand (participates in β ladder)trans-86.7125.3169.7-63-178.7000110.4N186 M196 L200 A204 I209N186-L211 HydrophobicContact CB-CD2 3.96Å; N186-L211 WeakPolarHBondContact O-CA 3.43Å; M196-L211 HydrophobicContact CE-CB 3.69Å; M196-L211 HydrophobicContact CE-CD1 3.68Å; M196-L211 HydrophobicContact CE-CD2 4.3Å; M196-L211 HydrophobicContact CE-CG 4.09Å; L200-L211 HydrophobicContact CG-CD1 4.29Å; L200-L211 HydrophobicContact CG-CD2 4.35Å; A204-L211 HydrophobicContact CB-CD1 3.67Å; A204-L211 HydrophobicContact CB-CD2 3.74Å; A204-L211 HydrophobicContact CB-CG 3.56Å; I209-L211 PolarHBondContact O-N 2.9Å
212L94.4Very high93.5Very high53 Ų5367.2 Ų67.228%0.27734%0.341SS..EExtended strand (participates in β ladder)trans-121.8157.7-179.8-63.7175.9000109.7I126 N186 Q187 V188 Q210I126-L212 HydrophobicContact CD1-CD1 4.19Å; N186-L212 PolarHBondContact O-N 2.89Å; Q187-L212 CarbonylContact C-O 3.52Å; Q187-L212 VanDerWaalsContact CA-O 3.3Å; Q187-L212 WeakPolarHBondContact CA-O 3.41Å; Q187-L212 HydrophobicContact CG-CB 3.66Å; Q187-L212 HydrophobicContact CG-CD1 4.44Å; V188-L212 PolarHBondContact N-O 3.28Å; Q210-L212 HydrophobicContact CG-CD2 3.83Å; Q210-L212 HydrophobicContact CG-CG 4.02Å
213T92.7Very high93.3Very high85 Ų8567.2 Ų67.252%0.52133%0.331SS..EExtended strand (participates in β ladder)trans-109.6150.3175.856.20000111.3V188 L190V188-T213 WeakPolarHBondContact O-CA 3.37Å; L190-T213 HydrophobicContact CD2-CG2 3.69Å; L190-T213 HydrophobicContact CG-CG2 4.4Å
214H92.4Very high93Very high11 Ų1169.3 Ų69.35%0.05135%0.35CS..EExtended strand (participates in β ladder)trans-147.7170171.471.3113.1000110.4K94 S165 D166 V188 N189 L190 D216K94-H214 PolarHBondContact NZ-CE1 3.48Å; K94-H214 PolarHBondContact NZ-ND1 3Å; K94-H214 VanDerWaalsContact NZ-ND1 3.2Å; S165-H214 PolarHBondContact OG-CE1 3.05Å; S165-H214 PolarHBondContact OG-NE2 3.06Å; D166-H214 IonicContact OD1-CE1 2.6Å; D166-H214 IonicContact OD1-NE2 3.76Å; D166-H214 PolarHBondContact OD1-NE2 3.1Å; D166-H214 IonicContact OD2-CE1 3.68Å; D166-H214 PolarHBondContact OD2-CE1 3.17Å; D166-H214 IonicContact OD2-NE2 3.57Å; D166-H214 PolarHBondContact OD2-NE2 3.39Å; D166-H214 VanDerWaalsContact OD2-NE2 3.11Å; V188-H214 PolarHBondContact O-CD2 3.37Å; V188-H214 PolarHBondContact O-N 3.38Å; V188-H214 VanDerWaalsContact O-N 3.17Å; N189-H214 WeakPolarHBondContact CA-NE2 3.43Å; N189-H214 WeakPolarHBondContact CA-O 3.45Å; N189-H214 PolarHBondContact N-NE2 3.11Å; L190-H214 PolarHBondContact N-O 3.12Å; H214-D216 IonicContact CE1-OD2 2.64Å; H214-D216 IonicContact CG-OD2 3.13Å; H214-D216 WeakPolarHBondContact ND1-CB 3.23Å; H214-D216 PolarHBondContact ND1-N 3.46Å; H214-D216 IonicContact ND1-OD2 3.48Å; H214-D216 PolarHBondContact ND1-OD2 2.96Å
215N90.5Very high92.9Very high101 Ų10171.5 Ų71.554%0.5437%0.365SS..  trans-135.540.6-179.660.8-37.8000109.7H39H39-N215 PolarHBondContact CE1-OD1 2.97Å; H39-N215 VanDerWaalsContact CE1-OD1 3.24Å; H39-N215 PolarHBondContact ND1-O 2.99Å
216D89.8Confident92.8Very high5 Ų563 Ų633%0.02733%0.328CS..  trans-71.1142.4173.1-60.4-40.7000108.9H39 K94 F96 N189 H214 R249H39-D216 IonicContact ND1-OD1 3.77Å; K94-D216 WeakPolarHBondContact CE-OD2 3.11Å; K94-D216 IonicContact NZ-OD2 3.57Å; K94-D216 PolarHBondContact NZ-OD2 3.24Å; F96-D216 HydrophobicContact CE1-CB 4.47Å; N189-D216 PolarHBondContact ND2-O 2.65Å; H214-D216 IonicContact CE1-OD2 2.64Å; H214-D216 IonicContact CG-OD2 3.13Å; H214-D216 WeakPolarHBondContact ND1-CB 3.23Å; H214-D216 PolarHBondContact ND1-N 3.46Å; H214-D216 IonicContact ND1-OD2 3.48Å; H214-D216 PolarHBondContact ND1-OD2 2.96Å; D216-R249 VanDerWaalsContact CG-NH2 3.28Å; D216-R249 IonicContact OD1-CZ 3.77Å; D216-R249 IonicContact OD1-NH1 3.17Å; D216-R249 PolarHBondContact OD1-NH1 3.36Å; D216-R249 IonicContact OD1-NH2 3.38Å; D216-R249 PolarHBondContact OD1-NH2 3.3Å; D216-R249 IonicContact OD2-NH2 3.93Å; D216-R249 PolarHBondContact OD2-NH2 3.03Å
217P87.6Confident92.7Very high49 Ų4957.8 Ų57.832%0.31830%0.304SS..  trans-65159.3168.528.5-31.9000110.1S40 E219 L220S40-P217 VanDerWaalsContact OG-CG 3.23Å; S40-P217 WeakPolarHBondContact OG-CG 3.44Å; P217-E219 PolarHBondContact O-N 3.5Å; P217-L220 HydrophobicContact CG-CD1 4Å
218K80.8Confident92.6Very high198 Ų19859.7 Ų59.786%0.86131%0.313SS*.SBendtrans-52.8-40.7178.1-174.9-175.2176.6-166.40111.6D134D134-K218 IonicContact OD1-NZ 3.7Å
219E84.4Confident92.4Very high122 Ų12253.1 Ų53.157%0.5728%0.278SS*.  trans-124.5110.4174.9-174.1178.8-136.700108.6P217 S222P217-E219 PolarHBondContact O-N 3.5Å; E219-S222 WeakPolarHBondContact OE1-CA 3.22Å; E219-S222 WeakPolarHBondContact OE1-CB 3.42Å; E219-S222 VanDerWaalsContact OE2-CB 3.23Å; E219-S222 WeakPolarHBondContact OE2-CB 3.5Å
220L89.9Confident92.3Very high10 Ų1052.8 Ų52.85%0.05228%0.276CS..SBendtrans-75.6-38.9-179-176.759.9000112H39 S40 L43 F96 P217 L247H39-L220 HydrophobicContact CB-CD1 3.68Å; S40-L220 PolarHBondContact OG-O 3.42Å; L43-L220 HydrophobicContact CD2-CG 4.05Å; F96-L220 HydrophobicContact CD1-CB 4.2Å; F96-L220 HydrophobicContact CD1-CD2 4.16Å; F96-L220 HydrophobicContact CD2-CD2 3.86Å; F96-L220 HydrophobicContact CE1-CB 4.24Å; F96-L220 HydrophobicContact CE1-CD2 3.82Å; F96-L220 HydrophobicContact CE2-CD2 3.5Å; F96-L220 HydrophobicContact CG-CD2 4.17Å; F96-L220 HydrophobicContact CZ-CD2 3.47Å; F96-L220 VanDerWaalsContact CZ-CD2 3.47Å; P217-L220 HydrophobicContact CG-CD1 4Å; L220-L247 HydrophobicContact CB-CD2 4.49Å; L220-L247 HydrophobicContact CD2-CD2 3.54Å; L220-L247 HydrophobicContact CG-CD2 3.87Å
221L91.9Very high92.1Very high11 Ų1151.6 Ų51.66%0.05827%0.271CS..SBendtrans-142.3113.5177.3-176.266.3000109.5L43 I47 V98 F226 P244 L247 L267L43-L221 HydrophobicContact CD2-CB 3.78Å; L43-L221 HydrophobicContact CD2-CD1 4.03Å; L43-L221 HydrophobicContact CD2-CD2 4.37Å; L43-L221 HydrophobicContact CD2-CG 4.29Å; I47-L221 HydrophobicContact CD1-CD1 3.92Å; I47-L221 HydrophobicContact CD1-CD2 4.36Å; V98-L221 WeakPolarHBondContact CG1-O 3.11Å; L221-F226 HydrophobicContact CD1-CB 3.97Å; L221-F226 HydrophobicContact CD2-CB 4.36Å; L221-F226 HydrophobicContact CD2-CD2 4.43Å; L221-F226 HydrophobicContact CG-CB 4.22Å; L221-P244 HydrophobicContact CD2-CB 4.21Å; L221-L247 HydrophobicContact CB-CD2 4.23Å; L221-L267 HydrophobicContact CD2-CD1 3.45Å; L221-L267 VanDerWaalsContact CD2-CD1 3.45Å; L221-L267 HydrophobicContact CD2-CD2 4.14Å; L221-L267 HydrophobicContact CD2-CG 4.48Å
222S91.4Very high92Very high17 Ų1754.9 Ų54.912%0.11929%0.285CS..  trans-86159.2169.975.10000110.8E219 A224 S225 F226E219-S222 WeakPolarHBondContact OE1-CA 3.22Å; E219-S222 WeakPolarHBondContact OE1-CB 3.42Å; E219-S222 VanDerWaalsContact OE2-CB 3.23Å; E219-S222 WeakPolarHBondContact OE2-CB 3.5Å; S222-A224 VanDerWaalsContact C-N 3.28Å; S222-A224 PolarHBondContact O-N 3Å; S222-S225 PolarHBondContact O-N 2.99Å; S222-S225 WeakPolarHBondContact OG-CB 3.26Å; S222-S225 PolarHBondContact OG-N 2.73Å; S222-S225 PolarHBondContact OG-OG 3.44Å; S222-S225 VanDerWaalsContact OG-OG 3.05Å; S222-F226 WeakPolarHBondContact O-CB 3.45Å; S222-F226 PolarHBondContact O-N 3.07Å
223E92.8Very high91.9Very high59 Ų5952.8 Ų52.828%0.27628%0.275SS..Hα-helixtrans-56.9-44.8171.1-179177.3162.900111.1F226 Q227 R272E223-F226 PolarHBondContact O-N 3.49Å; E223-Q227 HydrophobicContact CG-CG 4.34Å; E223-Q227 VanDerWaalsContact CG-NE2 3.34Å; E223-Q227 VanDerWaalsContact O-CG 3.25Å; E223-Q227 WeakPolarHBondContact O-CG 3.37Å; E223-Q227 PolarHBondContact O-N 3.04Å; E223-Q227 PolarHBondContact OE1-NE2 2.68Å; E223-R272 IonicContact OE1-CZ 3.88Å; E223-R272 IonicContact OE1-NE 3.64Å; E223-R272 IonicContact OE1-NH2 3.88Å; E223-R272 PolarHBondContact OE1-NH2 3.3Å; E223-R272 IonicContact OE2-NH2 3.07Å
224A93.4Very high91.9Very high53 Ų5348.8 Ų48.844%0.43825%0.25SS..Hα-helixtrans-60.6-49.4179.800000112S222 F226 Q227 E228S222-A224 VanDerWaalsContact C-N 3.28Å; S222-A224 PolarHBondContact O-N 3Å; A224-F226 VanDerWaalsContact C-N 3.29Å; A224-F226 PolarHBondContact O-N 3.47Å; A224-Q227 PolarHBondContact O-N 3.35Å; A224-E228 WeakPolarHBondContact O-CB 3.45Å; A224-E228 WeakPolarHBondContact O-CG 3.36Å; A224-E228 PolarHBondContact O-N 3.17Å
225S93.8Very high91.7Very high47 Ų4751.2 Ų51.233%0.32927%0.267SS..Hα-helixtrans-65.3-33.1179.7-63.20000112.5S222 A229S222-S225 PolarHBondContact O-N 2.99Å; S222-S225 WeakPolarHBondContact OG-CB 3.26Å; S222-S225 PolarHBondContact OG-N 2.73Å; S222-S225 PolarHBondContact OG-OG 3.44Å; S222-S225 VanDerWaalsContact OG-OG 3.05Å; S225-A229 WeakPolarHBondContact O-CB 3.4Å; S225-A229 PolarHBondContact O-N 2.99Å; S225-A229 VanDerWaalsContact O-N 3.08Å
226F95.6Very high91.6Very high0 Ų052.4 Ų52.40%027%0.273CS..Hα-helixtrans-65.8-47.1172.4173.2-105000111.8L18 I47 L221 S222 E223 A224 E228 A229 L230 W242 P244 L267 A269L18-F226 HydrophobicContact CD2-CZ 4.1Å; I47-F226 HydrophobicContact CD1-CD2 4.32Å; L221-F226 HydrophobicContact CD1-CB 3.97Å; L221-F226 HydrophobicContact CD2-CB 4.36Å; L221-F226 HydrophobicContact CD2-CD2 4.43Å; L221-F226 HydrophobicContact CG-CB 4.22Å; S222-F226 WeakPolarHBondContact O-CB 3.45Å; S222-F226 PolarHBondContact O-N 3.07Å; E223-F226 PolarHBondContact O-N 3.49Å; A224-F226 VanDerWaalsContact C-N 3.29Å; A224-F226 PolarHBondContact O-N 3.47Å; F226-E228 PolarHBondContact O-N 3.13Å; F226-A229 PolarHBondContact O-N 3.26Å; F226-L230 HydrophobicContact CE1-CD2 4.37Å; F226-L230 HydrophobicContact CZ-CD2 4.46Å; F226-L230 WeakPolarHBondContact O-CB 3.35Å; F226-L230 PolarHBondContact O-N 3.08Å; F226-W242 HydrophobicContact CE1-CB 3.85Å; F226-P244 HydrophobicContact CB-CG 4.11Å; F226-P244 HydrophobicContact CD1-CB 4.39Å; F226-P244 HydrophobicContact CD1-CG 4.22Å; F226-P244 HydrophobicContact CG-CB 4.31Å; F226-P244 HydrophobicContact CG-CG 4.22Å; F226-L267 HydrophobicContact CD2-CD2 3.67Å; F226-L267 HydrophobicContact CE2-CD2 3.41Å; F226-L267 VanDerWaalsContact CE2-CD2 3.41Å; F226-L267 HydrophobicContact CZ-CD2 4.38Å; F226-A269 HydrophobicContact CE1-CB 3.73Å; F226-A269 HydrophobicContact CE2-CB 4.44Å; F226-A269 HydrophobicContact CZ-CB 3.56Å
227Q95.9Very high91.7Very high35 Ų3552.9 Ų52.916%0.16428%0.276CS..Hα-helixtrans-64.1-40.4179.5-70174.3-6.300111.9E223 A224 L230 Q231 A239 H240 W242E223-Q227 HydrophobicContact CG-CG 4.34Å; E223-Q227 VanDerWaalsContact CG-NE2 3.34Å; E223-Q227 VanDerWaalsContact O-CG 3.25Å; E223-Q227 WeakPolarHBondContact O-CG 3.37Å; E223-Q227 PolarHBondContact O-N 3.04Å; E223-Q227 PolarHBondContact OE1-NE2 2.68Å; A224-Q227 PolarHBondContact O-N 3.35Å; Q227-L230 PolarHBondContact O-N 2.92Å; Q227-Q231 VanDerWaalsContact O-CB 3.26Å; Q227-Q231 WeakPolarHBondContact O-CB 3.4Å; Q227-Q231 PolarHBondContact O-N 2.94Å; Q227-A239 HydrophobicContact CB-CB 4.42Å; Q227-A239 WeakPolarHBondContact CG-O 3.43Å; Q227-H240 PolarHBondContact NE2-O 2.88Å; Q227-W242 PolarHBondContact NE2-O 2.94Å
228E95.6Very high91.9Very high107 Ų10755.5 Ų55.550%0.528%0.284SS..Hα-helixtrans-58.9-48.4171.9-75174.3-178.200111.3A224 F226 L230 Q231 E232A224-E228 WeakPolarHBondContact O-CB 3.45Å; A224-E228 WeakPolarHBondContact O-CG 3.36Å; A224-E228 PolarHBondContact O-N 3.17Å; F226-E228 PolarHBondContact O-N 3.13Å; E228-L230 VanDerWaalsContact C-N 3.3Å; E228-L230 PolarHBondContact O-N 3.47Å; E228-Q231 PolarHBondContact O-N 3.35Å; E228-E232 WeakPolarHBondContact O-CB 3.49Å; E228-E232 WeakPolarHBondContact O-CG 3.45Å; E228-E232 PolarHBondContact O-N 3.41Å
229A95.1Very high92.5Very high0 Ų046.2 Ų46.20%024%0.244CC..Hα-helixtrans-60.9-40.1178.300000112.4R44 I47 Q48 S225 F226 S233R44-A229 HydrophobicContact CG-CB 4.05Å; I47-A229 HydrophobicContact CB-CB 4.33Å; I47-A229 HydrophobicContact CG2-CB 3.76Å; Q48-A229 HydrophobicContact CG-CB 4.07Å; S225-A229 WeakPolarHBondContact O-CB 3.4Å; S225-A229 PolarHBondContact O-N 2.99Å; S225-A229 VanDerWaalsContact O-N 3.08Å; F226-A229 PolarHBondContact O-N 3.26Å; A229-S233 WeakPolarHBondContact O-CB 3.35Å; A229-S233 PolarHBondContact O-N 2.86Å; A229-S233 PolarHBondContact O-OG 3.33Å
230L95.3Very high93Very high0 Ų045.1 Ų45.10%024%0.239CC..Hα-helixtrans-66.2-46.4177.7-167.267.8000111L18 L51 F226 Q227 E228 S233 I234 I237 A239 W242L18-L230 HydrophobicContact CD2-CD1 4.09Å; L51-L230 HydrophobicContact CD1-CD1 3.65Å; L51-L230 HydrophobicContact CD2-CD1 4.05Å; F226-L230 HydrophobicContact CE1-CD2 4.37Å; F226-L230 HydrophobicContact CZ-CD2 4.46Å; F226-L230 WeakPolarHBondContact O-CB 3.35Å; F226-L230 PolarHBondContact O-N 3.08Å; Q227-L230 PolarHBondContact O-N 2.92Å; E228-L230 VanDerWaalsContact C-N 3.3Å; E228-L230 PolarHBondContact O-N 3.47Å; L230-S233 PolarHBondContact O-N 3.42Å; L230-I234 PolarHBondContact O-N 3.02Å; L230-I237 HydrophobicContact CB-CD1 4.33Å; L230-I237 HydrophobicContact CD1-CD1 4.39Å; L230-I237 HydrophobicContact CD2-CD1 3.89Å; L230-I237 HydrophobicContact CG-CD1 3.5Å; L230-I237 VanDerWaalsContact CG-CD1 3.5Å; L230-A239 HydrophobicContact CB-CB 4.47Å; L230-A239 HydrophobicContact CD2-CB 4.31Å; L230-W242 HydrophobicContact CD2-CB 3.93Å; L230-W242 HydrophobicContact CD2-CD2 4.5Å; L230-W242 HydrophobicContact CD2-CG 3.74Å
231Q94.7Very high93.2Very high74 Ų7447 Ų4735%0.34625%0.247SC..Hα-helixtrans-65-40.3179.4-17662.567.500113.1Q227 E228 S233 I234 D236 I237 A239Q227-Q231 VanDerWaalsContact O-CB 3.26Å; Q227-Q231 WeakPolarHBondContact O-CB 3.4Å; Q227-Q231 PolarHBondContact O-N 2.94Å; E228-Q231 PolarHBondContact O-N 3.35Å; Q231-S233 VanDerWaalsContact C-N 3.34Å; Q231-I234 CarbonylContact O-C 3.45Å; Q231-D236 VanDerWaalsContact NE2-N 3.18Å; Q231-I237 PolarHBondContact OE1-O 3.41Å; Q231-I237 VanDerWaalsContact OE1-O 3.14Å; Q231-A239 HydrophobicContact CB-CB 3.89Å
232E93.4Very high93.4Very high116 Ų11646.7 Ų46.754%0.54225%0.245SC..Hα-helixtrans-69.1-33.2177.3-76-173.6-176.500112.1R44 Q48 E228R44-E232 IonicContact NH1-OE2 3.62Å; Q48-E232 PolarHBondContact NE2-OE2 3.42Å; E228-E232 WeakPolarHBondContact O-CB 3.49Å; E228-E232 WeakPolarHBondContact O-CG 3.45Å; E228-E232 PolarHBondContact O-N 3.41Å
233S93.2Very high93.5Very high8 Ų847 Ų476%0.05625%0.246CC..Hα-helixtrans-77.3-39.9-179.6-55.20000112.2Q48 N52 A229 L230 Q231Q48-S233 VanDerWaalsContact CA-OG 3.3Å; Q48-S233 WeakPolarHBondContact CA-OG 3.45Å; N52-S233 PolarHBondContact OD1-O 3.46Å; A229-S233 WeakPolarHBondContact O-CB 3.35Å; A229-S233 PolarHBondContact O-N 2.86Å; A229-S233 PolarHBondContact O-OG 3.33Å; L230-S233 PolarHBondContact O-N 3.42Å; Q231-S233 VanDerWaalsContact C-N 3.34Å
234I92.3Very high93.6Very high1 Ų144.1 Ų44.11%0.00523%0.233CC..SBendtrans-131.891.6-177-54.7167.7000107.7A8 K9 L12 L51 W54 L230 Q231 I237A8-I234 HydrophobicContact CB-CD1 4.07Å; A8-I234 HydrophobicContact CB-CG2 4.14Å; K9-I234 HydrophobicContact CG-CG2 3.72Å; L12-I234 HydrophobicContact CD1-CD1 3.4Å; L12-I234 HydrophobicContact CD1-CG2 4.43Å; L51-I234 HydrophobicContact CD2-CD1 4.48Å; W54-I234 HydrophobicContact CE3-CD1 4.3Å; W54-I234 HydrophobicContact CZ3-CD1 3.79Å; L230-I234 PolarHBondContact O-N 3.02Å; Q231-I234 CarbonylContact O-C 3.45Å; I234-I237 HydrophobicContact CB-CD1 4.4Å; I234-I237 HydrophobicContact CB-CG2 4.26Å; I234-I237 HydrophobicContact CG2-CG2 3.67Å; I234-I237 VanDerWaalsContact O-CG1 3.3Å; I234-I237 WeakPolarHBondContact O-CG1 3.26Å
235P88.6Confident93.5Very high62 Ų6242.6 Ų42.640%0.40322%0.217SC..THydrogen-bonded Turntrans-58.9156.3-177.9-26.135000113.3K9 I237K9-P235 WeakPolarHBondContact CD-O 3.28Å; K9-P235 WeakPolarHBondContact CE-O 3.36Å; K9-P235 PolarHBondContact NZ-O 2.97Å; P235-I237 VanDerWaalsContact C-N 3.3Å; P235-I237 PolarHBondContact O-N 2.95Å
236D88.1Confident93.6Very high127 Ų12740.4 Ų40.468%0.67920%0.202SC*.THydrogen-bonded Turntrans61.922.7176-37.9-54.5000116.8K9 Q231K9-D236 IonicContact NZ-OD2 3.04Å; K9-D236 PolarHBondContact NZ-OD2 2.7Å; Q231-D236 VanDerWaalsContact NE2-N 3.18Å
237I91.3Very high93.6Very high15 Ų1540.4 Ų40.48%0.07720%0.202CC..SBendtrans-88.4164.7166.463176.9000111.1K9 L12 L230 Q231 I234 P235 A239K9-I237 HydrophobicContact CB-CG2 4.34Å; K9-I237 HydrophobicContact CG-CG2 3.81Å; L12-I237 HydrophobicContact CD1-CD1 4.44Å; L12-I237 HydrophobicContact CD1-CG2 4.33Å; L230-I237 HydrophobicContact CB-CD1 4.33Å; L230-I237 HydrophobicContact CD1-CD1 4.39Å; L230-I237 HydrophobicContact CD2-CD1 3.89Å; L230-I237 HydrophobicContact CG-CD1 3.5Å; L230-I237 VanDerWaalsContact CG-CD1 3.5Å; Q231-I237 PolarHBondContact OE1-O 3.41Å; Q231-I237 VanDerWaalsContact OE1-O 3.14Å; I234-I237 HydrophobicContact CB-CD1 4.4Å; I234-I237 HydrophobicContact CB-CG2 4.26Å; I234-I237 HydrophobicContact CG2-CG2 3.67Å; I234-I237 VanDerWaalsContact O-CG1 3.3Å; I234-I237 WeakPolarHBondContact O-CG1 3.26Å; P235-I237 VanDerWaalsContact C-N 3.3Å; P235-I237 PolarHBondContact O-N 2.95Å; I237-A239 VanDerWaalsContact C-N 3.27Å; I237-A239 HydrophobicContact CD1-CB 4.04Å; I237-A239 HydrophobicContact CG1-CB 4.03Å; I237-A239 PolarHBondContact O-N 3.14Å; I237-A239 VanDerWaalsContact O-N 3.13Å
238Q92.7Very high93.7Very high103 Ų10338.7 Ų38.748%0.48119%0.194SC..  trans-85.367.7168.6-57.3-56.6-47.600110H240 E241Q238-H240 PolarHBondContact O-N 3.1Å; Q238-H240 PolarHBondContact OE1-CE1 3.3Å; Q238-E241 HydrophobicContact CB-CG 3.87Å; Q238-E241 WeakPolarHBondContact O-CB 3.42Å; Q238-E241 PolarHBondContact O-N 3.13Å; Q238-E241 VanDerWaalsContact O-N 3.1Å
239A93.7Very high93.8Very high3 Ų336 Ų363%0.02518%0.179CC..G310 helixtrans-58.7-34.9-17400000112.8Q227 L230 Q231 I237 E241 W242Q227-A239 HydrophobicContact CB-CB 4.42Å; Q227-A239 WeakPolarHBondContact CG-O 3.43Å; L230-A239 HydrophobicContact CB-CB 4.47Å; L230-A239 HydrophobicContact CD2-CB 4.31Å; Q231-A239 HydrophobicContact CB-CB 3.89Å; I237-A239 VanDerWaalsContact C-N 3.27Å; I237-A239 HydrophobicContact CD1-CB 4.04Å; I237-A239 HydrophobicContact CG1-CB 4.03Å; I237-A239 PolarHBondContact O-N 3.14Å; I237-A239 VanDerWaalsContact O-N 3.13Å; A239-E241 PolarHBondContact O-N 3.34Å; A239-E241 VanDerWaalsContact O-N 3.07Å; A239-W242 WeakPolarHBondContact O-CB 3.41Å; A239-W242 PolarHBondContact O-N 3.37Å
240H94.2Very high93.9Very high100 Ų10036.3 Ų36.346%0.46318%0.18SC..G310 helixtrans-61.9-14.6179.169.9-98.3000114.6Q227 Q238 W242Q227-H240 PolarHBondContact NE2-O 2.88Å; Q238-H240 PolarHBondContact O-N 3.1Å; Q238-H240 PolarHBondContact OE1-CE1 3.3Å; H240-W242 VanDerWaalsContact C-N 3.28Å
241E94.6Very high94Very high50 Ų5037.8 Ų37.823%0.23419%0.191CC..G310 helixtrans-80.5-11.3174.4-62.8179.2160.700112.1Q238 A239 R271 R272Q238-E241 HydrophobicContact CB-CG 3.87Å; Q238-E241 WeakPolarHBondContact O-CB 3.42Å; Q238-E241 PolarHBondContact O-N 3.13Å; Q238-E241 VanDerWaalsContact O-N 3.1Å; A239-E241 PolarHBondContact O-N 3.34Å; A239-E241 VanDerWaalsContact O-N 3.07Å; E241-R271 HydrophobicContact CB-CG 3.92Å; E241-R271 CarbonylContact O-C 3.38Å; E241-R271 VanDerWaalsContact O-CA 3.26Å; E241-R271 WeakPolarHBondContact O-CA 3.37Å; E241-R271 IonicContact OE1-NH2 3.85Å; E241-R271 IonicContact OE2-CZ 3.04Å; E241-R271 IonicContact OE2-NE 2.91Å; E241-R271 PolarHBondContact OE2-NE 2.79Å; E241-R271 IonicContact OE2-NH2 2.76Å; E241-R271 PolarHBondContact OE2-NH2 3.21Å; E241-R272 WeakPolarHBondContact O-CG 3.43Å; E241-R272 PolarHBondContact O-N 2.73Å
242W95.1Very high94.1Very high4 Ų434.4 Ų34.42%0.01518%0.175CC..EExtended strand (participates in β ladder)trans-98.9132.6-177.5-68.687.6000112L12 A15 L18 F226 Q227 L230 A239 H240 A269 K270L12-W242 HydrophobicContact CD2-CH2 4.47Å; L12-W242 HydrophobicContact CD2-CZ2 3.86Å; L12-W242 WeakPolarHBondContact O-CZ2 3.49Å; A15-W242 HydrophobicContact CB-CH2 4.01Å; A15-W242 HydrophobicContact CB-CZ2 4.36Å; L18-W242 HydrophobicContact CB-CE3 3.94Å; L18-W242 HydrophobicContact CB-CH2 3.89Å; L18-W242 HydrophobicContact CB-CZ3 3.39Å; F226-W242 HydrophobicContact CE1-CB 3.85Å; Q227-W242 PolarHBondContact NE2-O 2.94Å; L230-W242 HydrophobicContact CD2-CB 3.93Å; L230-W242 HydrophobicContact CD2-CD2 4.5Å; L230-W242 HydrophobicContact CD2-CG 3.74Å; A239-W242 WeakPolarHBondContact O-CB 3.41Å; A239-W242 PolarHBondContact O-N 3.37Å; H240-W242 VanDerWaalsContact C-N 3.28Å; W242-A269 HydrophobicContact CE3-CB 4.21Å; W242-K270 WeakPolarHBondContact CA-O 3.39Å
243V94.1Very high94.3Very high22 Ų2231.3 Ų31.313%0.13316%0.161CC..EExtended strand (participates in β ladder)trans-124.8122.2-179.1-175.70000109.2A269 K270 R272V243-A269 CarbonylContact O-C 3.56Å; V243-A269 VanDerWaalsContact O-CA 3.24Å; V243-A269 WeakPolarHBondContact O-CA 3.3Å; V243-A269 WeakPolarHBondContact O-CB 3.41Å; V243-K270 PolarHBondContact N-O 2.6Å; V243-K270 PolarHBondContact O-N 3.46Å; V243-R272 HydrophobicContact CG2-CG 3.61Å
244P94.1Very high94.5Very high0 Ų032 Ų320%017%0.165CC..EExtended strand (participates in β ladder)trans-66.6135173.328.6-32.8000110.2V98 G99 L221 F226 L267V98-P244 HydrophobicContact CB-CB 4.3Å; V98-P244 HydrophobicContact CB-CG 4.28Å; V98-P244 HydrophobicContact CG1-CB 4.17Å; V98-P244 HydrophobicContact CG1-CG 3.63Å; G99-P244 PolarHBondContact N-O 3.2Å; L221-P244 HydrophobicContact CD2-CB 4.21Å; F226-P244 HydrophobicContact CB-CG 4.11Å; F226-P244 HydrophobicContact CD1-CB 4.39Å; F226-P244 HydrophobicContact CD1-CG 4.22Å; F226-P244 HydrophobicContact CG-CB 4.31Å; F226-P244 HydrophobicContact CG-CG 4.22Å; P244-L267 HydrophobicContact CB-CD1 4.1Å
245L93.1Very high94.7Very high21 Ų2137 Ų3711%0.1119%0.187CC..EExtended strand (participates in β ladder)trans-94.2-52.4179-68.5-176000111.3V98 G99 Q268 K270V98-L245 PolarHBondContact N-O 2.94Å; G99-L245 PolarHBondContact N-O 3.24Å; L245-Q268 HydrophobicContact CD1-CG 4.18Å; L245-Q268 PolarHBondContact N-O 3.32Å; L245-K270 HydrophobicContact CD1-CB 4.16Å; L245-K270 HydrophobicContact CD1-CD 4.11Å; L245-K270 HydrophobicContact CD1-CG 4.13Å; L245-K270 HydrophobicContact CD2-CD 3.75Å; L245-K270 HydrophobicContact CD2-CG 3.83Å; L245-K270 HydrophobicContact CG-CB 4.41Å; L245-K270 HydrophobicContact CG-CD 4.29Å; L245-K270 HydrophobicContact CG-CG 4.03Å
246W94.7Very high94.9Very high0 Ų038.6 Ų38.60%020%0.199CC..EExtended strand (participates in β ladder)trans-152.8150.3-179.554.5-97.1000109.5L95 F96 I97 A109 M112 L248 I266 L267 Q268L95-W246 HydrophobicContact CD1-CB 4.05Å; L95-W246 HydrophobicContact CD1-CE3 4.48Å; F96-W246 CarbonylContact O-C 3.57Å; F96-W246 VanDerWaalsContact O-CA 3.3Å; F96-W246 WeakPolarHBondContact O-CA 3.5Å; I97-W246 HydrophobicContact CD1-CB 4.33Å; A109-W246 HydrophobicContact CB-CD2 3.57Å; A109-W246 HydrophobicContact CB-CE3 3.52Å; A109-W246 HydrophobicContact CB-CG 4.21Å; A109-W246 HydrophobicContact CB-CH2 4.07Å; A109-W246 HydrophobicContact CB-CZ2 4.07Å; A109-W246 HydrophobicContact CB-CZ3 3.8Å; M112-W246 HydrophobicContact CB-CH2 4.21Å; M112-W246 HydrophobicContact CE-CH2 4.01Å; M112-W246 HydrophobicContact CE-CZ2 3.98Å; M112-W246 HydrophobicContact SD-CH2 3.66Å; M112-W246 HydrophobicContact SD-CZ2 4.26Å; W246-L248 HydrophobicContact CE3-CB 4.18Å; W246-L248 HydrophobicContact CZ3-CB 4.06Å; W246-I266 HydrophobicContact CH2-CG2 3.81Å; W246-I266 HydrophobicContact CZ3-CB 4.23Å; W246-I266 HydrophobicContact CZ3-CG2 3.85Å; W246-L267 WeakPolarHBondContact O-CD1 3.3Å; W246-Q268 HydrophobicContact CD2-CB 4.06Å; W246-Q268 HydrophobicContact CH2-CB 4.03Å; W246-Q268 HydrophobicContact CZ2-CB 3.34Å; W246-Q268 HydrophobicContact CZ2-CG 4.3Å; W246-Q268 PolarHBondContact O-N 2.8Å; W246-Q268 VanDerWaalsContact O-N 3.15Å
247L96.4Very high95.1Very high0 Ų041.8 Ų41.80%020%0.202CC..EExtended strand (participates in β ladder)trans-121.8133.1172.7170.175000108.1L43 F96 L220 L221 Y265 L267L43-L247 HydrophobicContact CD1-CD1 3.85Å; L43-L247 HydrophobicContact CD1-CD2 4.41Å; L43-L247 HydrophobicContact CD2-CD1 4.24Å; L43-L247 HydrophobicContact CD2-CD2 3.41Å; L43-L247 VanDerWaalsContact CD2-CD2 3.41Å; L43-L247 HydrophobicContact CD2-CG 4.47Å; F96-L247 HydrophobicContact CB-CB 4.26Å; F96-L247 HydrophobicContact CD2-CD2 4.24Å; F96-L247 HydrophobicContact CD2-CG 4.4Å; F96-L247 PolarHBondContact N-O 3.08Å; F96-L247 PolarHBondContact O-N 2.85Å; L220-L247 HydrophobicContact CB-CD2 4.49Å; L220-L247 HydrophobicContact CD2-CD2 3.54Å; L220-L247 HydrophobicContact CG-CD2 3.87Å; L221-L247 HydrophobicContact CB-CD2 4.23Å; L247-Y265 HydrophobicContact CD1-CD1 4.13Å; L247-L267 HydrophobicContact CB-CD1 3.98Å; L247-L267 HydrophobicContact CD1-CB 4.16Å; L247-L267 HydrophobicContact CD1-CD1 4.16Å
248L97.3Very high95.2Very high0 Ų043.7 Ų43.70%023%0.226CC..EExtended strand (participates in β ladder)trans-119.2122175.5-174.9150000109.1A93 K94 L95 A109 A113 W246 Y250 Y265 I266A93-L248 HydrophobicContact CB-CD1 4.02Å; A93-L248 HydrophobicContact CB-CD2 3.78Å; A93-L248 HydrophobicContact CB-CG 3.94Å; K94-L248 WeakPolarHBondContact O-CA 3.31Å; L95-L248 HydrophobicContact CD1-CB 4.43Å; A109-L248 HydrophobicContact CB-CD1 3.97Å; A113-L248 HydrophobicContact CB-CD1 4.01Å; A113-L248 HydrophobicContact CB-CD2 4Å; W246-L248 HydrophobicContact CE3-CB 4.18Å; W246-L248 HydrophobicContact CZ3-CB 4.06Å; L248-Y250 HydrophobicContact CD2-CD1 4.43Å; L248-Y265 CarbonylContact O-C 3.56Å; L248-Y265 WeakPolarHBondContact O-CA 3.36Å; L248-I266 HydrophobicContact CB-CB 4.44Å; L248-I266 HydrophobicContact CD2-CD1 4.31Å; L248-I266 PolarHBondContact N-O 2.72Å; L248-I266 PolarHBondContact O-N 2.95Å
249R97.7Very high95.3Very high51 Ų5143.4 Ų43.419%0.19223%0.226CC..EExtended strand (participates in β ladder)trans-99123170.1-178175.862.6-162.3-4.3108.8A93 K94 F96 D216 G264 Y265A93-R249 CarbonylContact C-O 3.6Å; A93-R249 VanDerWaalsContact CA-O 3.3Å; A93-R249 WeakPolarHBondContact CA-O 3.36Å; K94-R249 PolarHBondContact N-O 3.5Å; K94-R249 PolarHBondContact O-N 3.18Å; F96-R249 HydrophobicContact CE2-CB 4.16Å; D216-R249 VanDerWaalsContact CG-NH2 3.28Å; D216-R249 IonicContact OD1-CZ 3.77Å; D216-R249 IonicContact OD1-NH1 3.17Å; D216-R249 PolarHBondContact OD1-NH1 3.36Å; D216-R249 IonicContact OD1-NH2 3.38Å; D216-R249 PolarHBondContact OD1-NH2 3.3Å; D216-R249 IonicContact OD2-NH2 3.93Å; D216-R249 PolarHBondContact OD2-NH2 3.03Å; R249-G264 WeakPolarHBondContact CA-O 2.88Å; R249-Y265 HydrophobicContact CB-CD1 3.87Å; R249-Y265 HydrophobicContact CB-CE1 3.85Å; R249-Y265 HydrophobicContact CG-CD1 3.99Å; R249-Y265 HydrophobicContact CG-CE1 3.63Å
250Y97.8Very high95.3Very high6 Ų647 Ų472%0.02425%0.245CC..EExtended strand (participates in β ladder)trans-112.4155.8178.170.8-96.9000112.4G23 S92 L117 L248 V252 K263 G264 I266G23-Y250 PolarHBondContact O-OH 3.35Å; S92-Y250 CarbonylContact O-C 3.6Å; S92-Y250 WeakPolarHBondContact O-CA 3.34Å; L117-Y250 HydrophobicContact CD1-CD2 4.12Å; L117-Y250 HydrophobicContact CD1-CG 4.18Å; L117-Y250 HydrophobicContact CD2-CD2 3.81Å; L117-Y250 HydrophobicContact CD2-CE1 4.49Å; L117-Y250 HydrophobicContact CD2-CE2 3.58Å; L117-Y250 HydrophobicContact CD2-CG 4.38Å; L248-Y250 HydrophobicContact CD2-CD1 4.43Å; Y250-V252 HydrophobicContact CD2-CG2 4.45Å; Y250-K263 WeakPolarHBondContact O-CA 3.31Å; Y250-G264 WeakPolarHBondContact CD1-O 3.03Å; Y250-G264 VanDerWaalsContact CE1-C 3.44Å; Y250-G264 PolarHBondContact N-O 3.2Å; Y250-G264 PolarHBondContact O-N 3.19Å; Y250-G264 VanDerWaalsContact O-N 3.15Å; Y250-I266 HydrophobicContact CD1-CD1 4.08Å; Y250-I266 HydrophobicContact CD1-CG1 3.99Å; Y250-I266 HydrophobicContact CE1-CD1 4.27Å; Y250-I266 HydrophobicContact CE1-CG1 4Å
251S97.2Very high95.3Very high31 Ų3145.3 Ų45.322%0.21724%0.236CC..EExtended strand (participates in β ladder)trans-142.6140170.6-175.60000110S92 S262S92-S251 PolarHBondContact N-O 3.34Å; S92-S251 PolarHBondContact O-N 3.34Å; S251-S262 CarbonylContact C-O 3.49Å; S251-S262 WeakPolarHBondContact CA-O 3.15Å
252V97.8Very high95.3Very high2 Ų243.3 Ų43.31%0.01223%0.227CC..EExtended strand (participates in β ladder)trans-119.3119.8176.9-175.80000107.7I81 M89 K90 V91 L117 Y250 I260 K261 S262I81-V252 HydrophobicContact CD1-CG1 3.71Å; I81-V252 HydrophobicContact CD1-CG2 3.98Å; I81-V252 HydrophobicContact CG1-CG1 4.43Å; M89-V252 HydrophobicContact CB-CG1 3.98Å; M89-V252 HydrophobicContact CG-CG1 4.16Å; M89-V252 HydrophobicContact SD-CG1 4.11Å; K90-V252 CarbonylContact O-C 3.6Å; K90-V252 WeakPolarHBondContact O-CA 3.1Å; V91-V252 HydrophobicContact CG1-CG2 4.35Å; V91-V252 HydrophobicContact CG2-CG1 4.38Å; V91-V252 HydrophobicContact CG2-CG2 4.44Å; L117-V252 HydrophobicContact CD2-CG2 4.37Å; Y250-V252 HydrophobicContact CD2-CG2 4.45Å; V252-I260 CarbonylContact O-C 3.54Å; V252-I260 WeakPolarHBondContact O-CA 3.34Å; V252-K261 PolarHBondContact O-N 3.49Å; V252-S262 PolarHBondContact N-O 3.28Å; V252-S262 PolarHBondContact O-N 3.2Å
253I97.3Very high95.3Very high51 Ų5146.1 Ų46.126%0.26224%0.24SC..EExtended strand (participates in β ladder)trans-116.9134.7-177.4-63.8174.9000109.8M89 K90 K255 I259 I260M89-I253 CarbonylContact C-O 3.56Å; M89-I253 WeakPolarHBondContact CA-O 3.49Å; K90-I253 HydrophobicContact CB-CB 4.46Å; K90-I253 PolarHBondContact N-O 3.48Å; K90-I253 PolarHBondContact O-N 3.44Å; I253-K255 PolarHBondContact O-N 2.89Å; I253-I259 CarbonylContact C-O 3.53Å; I253-I259 WeakPolarHBondContact CA-O 3.43Å; I253-I260 HydrophobicContact CG1-CG1 4.21Å
254V97.1Very high95.4Very high22 Ų2245.1 Ų45.113%0.13323%0.234CC..EExtended strand (participates in β ladder)trans-73.1110.4169-174.70000108.6M89 S256 R257 G258 I259 K261M89-V254 HydrophobicContact CE-CG2 4.09Å; M89-V254 HydrophobicContact SD-CB 4.48Å; M89-V254 HydrophobicContact SD-CG2 3.9Å; V254-S256 VanDerWaalsContact C-N 3.3Å; V254-S256 PolarHBondContact O-N 3.5Å; V254-R257 HydrophobicContact CG1-CG 4.46Å; V254-R257 PolarHBondContact O-N 3.26Å; V254-R257 VanDerWaalsContact O-N 3.1Å; V254-G258 PolarHBondContact O-N 2.68Å; V254-I259 PolarHBondContact N-O 3.2Å; V254-K261 HydrophobicContact CG2-CB 4.07Å; V254-K261 HydrophobicContact CG2-CD 4.39Å
255K95.2Very high95.5Very high107 Ų10745.4 Ų45.447%0.46524%0.235SC..THydrogen-bonded Turntrans-53.9-43.5-172.2-72.4172.5179.3162.40112.8E87 E88 M89 K90 D123 I253 R257E87-K255 WeakPolarHBondContact O-CD 3.47Å; E87-K255 PolarHBondContact O-NZ 3.42Å; E88-K255 VanDerWaalsContact O-CB 3.31Å; E88-K255 WeakPolarHBondContact O-CB 3.32Å; E88-K255 VanDerWaalsContact O-CG 3.32Å; E88-K255 WeakPolarHBondContact O-CG 3.39Å; E88-K255 PolarHBondContact O-N 3.06Å; M89-K255 WeakPolarHBondContact O-CE 2.87Å; M89-K255 PolarHBondContact O-NZ 3.09Å; K90-K255 HydrophobicContact CB-CG 4.02Å; D123-K255 IonicContact OD1-NZ 3.72Å; I253-K255 PolarHBondContact O-N 2.89Å; K255-R257 VanDerWaalsContact C-N 3.28Å; K255-R257 PolarHBondContact O-N 3.07Å
256S93.9Very high95.8Very high95 Ų9544.4 Ų44.466%0.66423%0.229SC*.THydrogen-bonded Turntrans-68.3-21.7-177570000114.6V254V254-S256 VanDerWaalsContact C-N 3.3Å; V254-S256 PolarHBondContact O-N 3.5Å
257R92.9Very high95.8Very high194 Ų19444.6 Ų44.673%0.73223%0.23SC*.THydrogen-bonded Turntrans-120.7-14.8-173.3-58.4-177.4-173.5178.82.7113.7V254 K255 I259V254-R257 HydrophobicContact CG1-CG 4.46Å; V254-R257 PolarHBondContact O-N 3.26Å; V254-R257 VanDerWaalsContact O-N 3.1Å; K255-R257 VanDerWaalsContact C-N 3.28Å; K255-R257 PolarHBondContact O-N 3.07Å; R257-I259 HydrophobicContact CB-CB 4.37Å; R257-I259 HydrophobicContact CB-CD1 3.77Å; R257-I259 HydrophobicContact CB-CG1 3.84Å; R257-I259 PolarHBondContact O-N 3.16Å
258G92.9Very high95.8Very high56 Ų5645.6 Ų45.658%0.57724%0.235SC*.THydrogen-bonded Turntrans64.918.6-173.400000113.9V254V254-G258 PolarHBondContact O-N 2.68Å
259I93.6Very high95.8Very high96 Ų9645.7 Ų45.749%0.49224%0.236SC..EExtended strand (participates in β ladder)trans-92.6134.2-176.6-62.6171.8000109.8I253 V254 R257 K261I253-I259 CarbonylContact C-O 3.53Å; I253-I259 WeakPolarHBondContact CA-O 3.43Å; V254-I259 PolarHBondContact N-O 3.2Å; R257-I259 HydrophobicContact CB-CB 4.37Å; R257-I259 HydrophobicContact CB-CD1 3.77Å; R257-I259 HydrophobicContact CB-CG1 3.84Å; R257-I259 PolarHBondContact O-N 3.16Å; I259-K261 PolarHBondContact O-N 2.96Å
260I94.8Very high95.6Very high80 Ų8047.3 Ų47.341%0.4124%0.244SC..EExtended strand (participates in β ladder)trans-70.1114.9171.9-57.4175.1000108.7L26 V252 I253 S262 K263L26-I260 HydrophobicContact CD1-CG2 4.23Å; L26-I260 WeakPolarHBondContact CD1-O 3.48Å; V252-I260 CarbonylContact O-C 3.54Å; V252-I260 WeakPolarHBondContact O-CA 3.34Å; I253-I260 HydrophobicContact CG1-CG1 4.21Å; I260-S262 WeakPolarHBondContact CG2-O 3.49Å; I260-K263 HydrophobicContact CG2-CB 4.2Å
261K94.4Very high95.4Very high63 Ų6349.8 Ų49.827%0.27425%0.254SS..EExtended strand (participates in β ladder)trans-87.4-34.4174-176.9171-178.9166.30111.8N24 E85 M89 V252 V254 I259N24-K261 PolarHBondContact ND2-O 2.88Å; N24-K261 VanDerWaalsContact ND2-O 3.09Å; E85-K261 IonicContact OE1-NZ 3.63Å; E85-K261 IonicContact OE2-NZ 3.06Å; E85-K261 PolarHBondContact OE2-NZ 2.93Å; M89-K261 HydrophobicContact CE-CD 3.75Å; M89-K261 HydrophobicContact SD-CD 3.84Å; V252-K261 PolarHBondContact O-N 3.49Å; V254-K261 HydrophobicContact CG2-CB 4.07Å; V254-K261 HydrophobicContact CG2-CD 4.39Å; I259-K261 PolarHBondContact O-N 2.96Å
262S95.1Very high95Very high8 Ų855.3 Ų55.36%0.05627%0.27CS..EExtended strand (participates in β ladder)trans-150143.3178.9-175.50000110.9N24 S251 V252 I260N24-S262 WeakPolarHBondContact OD1-CA 3.27Å; S251-S262 CarbonylContact C-O 3.49Å; S251-S262 WeakPolarHBondContact CA-O 3.15Å; V252-S262 PolarHBondContact N-O 3.28Å; V252-S262 PolarHBondContact O-N 3.2Å; I260-S262 WeakPolarHBondContact CG2-O 3.49Å
263K95.3Very high93.9Very high64 Ų6459.7 Ų59.728%0.27832%0.316SS..EExtended strand (participates in β ladder)trans-145151.4168.567.3164.9-170.3154.40109.9N24 L25 L26 E42 Y250 I260N24-K263 PolarHBondContact OD1-N 3.43Å; L25-K263 HydrophobicContact CB-CG 4.21Å; L25-K263 HydrophobicContact CD1-CG 4.43Å; L25-K263 WeakPolarHBondContact CG-O 3.35Å; L25-K263 PolarHBondContact N-O 3.42Å; L26-K263 HydrophobicContact CD2-CG 4.45Å; E42-K263 IonicContact OE1-NZ 3.96Å; E42-K263 IonicContact OE2-NZ 3.7Å; E42-K263 PolarHBondContact OE2-NZ 3.31Å; E42-K263 VanDerWaalsContact OE2-NZ 3.13Å; Y250-K263 WeakPolarHBondContact O-CA 3.31Å; I260-K263 HydrophobicContact CG2-CB 4.2Å
264G95.6Very high92.2Very high1 Ų161 Ų611%0.0133%0.329CS..EExtended strand (participates in β ladder)trans-179.5-175.5177.900000114.1T22 R249 Y250T22-G264 WeakPolarHBondContact OG1-CA 3.46Å; R249-G264 WeakPolarHBondContact CA-O 2.88Å; Y250-G264 WeakPolarHBondContact CD1-O 3.03Å; Y250-G264 VanDerWaalsContact CE1-C 3.44Å; Y250-G264 PolarHBondContact N-O 3.2Å; Y250-G264 PolarHBondContact O-N 3.19Å; Y250-G264 VanDerWaalsContact O-N 3.15Å
265Y96.9Very high91.9Very high5 Ų562.9 Ų62.92%0.0234%0.339CS..EExtended strand (participates in β ladder)trans-123.5144.6-179.8-56.6-86.4000110.5T22 L25 E42 L43 C46 L247 L248 R249T22-Y265 HydrophobicContact CG2-CD2 4.27Å; T22-Y265 PolarHBondContact N-O 2.95Å; T22-Y265 PolarHBondContact OG1-N 3.42Å; T22-Y265 PolarHBondContact OG1-O 2.89Å; L25-Y265 HydrophobicContact CD1-CD2 3.89Å; L25-Y265 HydrophobicContact CD1-CE2 3.62Å; E42-Y265 WeakPolarHBondContact OE1-CE2 3.42Å; E42-Y265 PolarHBondContact OE1-OH 3.48Å; L43-Y265 HydrophobicContact CD1-CD1 3.79Å; L43-Y265 HydrophobicContact CD1-CD2 4.06Å; L43-Y265 HydrophobicContact CD1-CE1 4.24Å; L43-Y265 HydrophobicContact CD1-CG 3.69Å; C46-Y265 HydrophobicContact CB-CD2 4.45Å; L247-Y265 HydrophobicContact CD1-CD1 4.13Å; L248-Y265 CarbonylContact O-C 3.56Å; L248-Y265 WeakPolarHBondContact O-CA 3.36Å; R249-Y265 HydrophobicContact CB-CD1 3.87Å; R249-Y265 HydrophobicContact CB-CE1 3.85Å; R249-Y265 HydrophobicContact CG-CD1 3.99Å; R249-Y265 HydrophobicContact CG-CE1 3.63Å
266I97.4Very high91.7Very high0 Ų060.6 Ų60.60%033%0.332CS..EExtended strand (participates in β ladder)trans-129132.9171.6-51.5178.8000106.3L20 Q21 M112 A113 V116 W246 L248 Y250L20-I266 CarbonylContact O-C 3.56Å; L20-I266 WeakPolarHBondContact O-CA 3.36Å; Q21-I266 HydrophobicContact CG-CG1 4.39Å; M112-I266 HydrophobicContact CB-CG2 4.37Å; M112-I266 HydrophobicContact CG-CG2 3.71Å; M112-I266 HydrophobicContact SD-CG2 3.28Å; M112-I266 WeakPolarHBondContact SD-CG2 3.32Å; A113-I266 HydrophobicContact CB-CD1 4.03Å; V116-I266 HydrophobicContact CB-CD1 3.93Å; V116-I266 HydrophobicContact CG1-CD1 3.87Å; V116-I266 HydrophobicContact CG2-CD1 4.01Å; W246-I266 HydrophobicContact CH2-CG2 3.81Å; W246-I266 HydrophobicContact CZ3-CB 4.23Å; W246-I266 HydrophobicContact CZ3-CG2 3.85Å; L248-I266 HydrophobicContact CB-CB 4.44Å; L248-I266 HydrophobicContact CD2-CD1 4.31Å; L248-I266 PolarHBondContact N-O 2.72Å; L248-I266 PolarHBondContact O-N 2.95Å; Y250-I266 HydrophobicContact CD1-CD1 4.08Å; Y250-I266 HydrophobicContact CD1-CG1 3.99Å; Y250-I266 HydrophobicContact CE1-CD1 4.27Å; Y250-I266 HydrophobicContact CE1-CG1 4Å
267L96.4Very high91.6Very high4 Ų458.7 Ų58.72%0.02131%0.314CS..EExtended strand (participates in β ladder)trans-137.2140.3-175.5173.580.5000108.9H19 L20 I47 L221 F226 P244 W246 L247H19-L267 WeakPolarHBondContact CA-O 3.5Å; L20-L267 HydrophobicContact CB-CB 4.3Å; L20-L267 PolarHBondContact N-O 3.23Å; L20-L267 PolarHBondContact O-N 3.04Å; I47-L267 HydrophobicContact CD1-CD2 4.3Å; L221-L267 HydrophobicContact CD2-CD1 3.45Å; L221-L267 VanDerWaalsContact CD2-CD1 3.45Å; L221-L267 HydrophobicContact CD2-CD2 4.14Å; L221-L267 HydrophobicContact CD2-CG 4.48Å; F226-L267 HydrophobicContact CD2-CD2 3.67Å; F226-L267 HydrophobicContact CE2-CD2 3.41Å; F226-L267 VanDerWaalsContact CE2-CD2 3.41Å; F226-L267 HydrophobicContact CZ-CD2 4.38Å; P244-L267 HydrophobicContact CB-CD1 4.1Å; W246-L267 WeakPolarHBondContact O-CD1 3.3Å; L247-L267 HydrophobicContact CB-CD1 3.98Å; L247-L267 HydrophobicContact CD1-CB 4.16Å; L247-L267 HydrophobicContact CD1-CD1 4.16Å
268Q96.3Very high91.5Very high22 Ų2250.7 Ų50.710%0.10329%0.289CS..EExtended strand (participates in β ladder)trans-116.5134.8165.1177.9179.685.500109.5T17 L18 H19 S108 L245 W246T17-Q268 HydrophobicContact CG2-CG 3.99Å; L18-Q268 CarbonylContact O-C 3.51Å; L18-Q268 WeakPolarHBondContact O-CA 3.37Å; H19-Q268 PolarHBondContact NE2-NE2 2.86Å; S108-Q268 PolarHBondContact OG-NE2 3.5Å; L245-Q268 HydrophobicContact CD1-CG 4.18Å; L245-Q268 PolarHBondContact N-O 3.32Å; W246-Q268 HydrophobicContact CD2-CB 4.06Å; W246-Q268 HydrophobicContact CH2-CB 4.03Å; W246-Q268 HydrophobicContact CZ2-CB 3.34Å; W246-Q268 HydrophobicContact CZ2-CG 4.3Å; W246-Q268 PolarHBondContact O-N 2.8Å; W246-Q268 VanDerWaalsContact O-N 3.15Å
269A95.6Very high91.5Very high1 Ų150.4 Ų50.41%0.00827%0.271CS..EExtended strand (participates in β ladder)trans-125.7151.9169.300000109.8T17 L18 F226 W242 V243T17-A269 WeakPolarHBondContact CA-O 3.32Å; L18-A269 HydrophobicContact CB-CB 4.41Å; L18-A269 PolarHBondContact N-O 2.65Å; L18-A269 PolarHBondContact O-N 2.89Å; F226-A269 HydrophobicContact CE1-CB 3.73Å; F226-A269 HydrophobicContact CE2-CB 4.44Å; F226-A269 HydrophobicContact CZ-CB 3.56Å; W242-A269 HydrophobicContact CE3-CB 4.21Å; V243-A269 CarbonylContact O-C 3.56Å; V243-A269 VanDerWaalsContact O-CA 3.24Å; V243-A269 WeakPolarHBondContact O-CA 3.3Å; V243-A269 WeakPolarHBondContact O-CB 3.41Å
270K94.4Very high91.3Very high86 Ų8647.3 Ų47.337%0.37426%0.256SS..EExtended strand (participates in β ladder)trans-120.9155.6173.468.6173.6-179.6-170.80110.8R16 W242 V243 L245R16-K270 CarbonylContact O-C 3.56Å; R16-K270 VanDerWaalsContact O-CA 3.3Å; R16-K270 WeakPolarHBondContact O-CA 3.46Å; W242-K270 WeakPolarHBondContact CA-O 3.39Å; V243-K270 PolarHBondContact N-O 2.6Å; V243-K270 PolarHBondContact O-N 3.46Å; L245-K270 HydrophobicContact CD1-CB 4.16Å; L245-K270 HydrophobicContact CD1-CD 4.11Å; L245-K270 HydrophobicContact CD1-CG 4.13Å; L245-K270 HydrophobicContact CD2-CD 3.75Å; L245-K270 HydrophobicContact CD2-CG 3.83Å; L245-K270 HydrophobicContact CG-CB 4.41Å; L245-K270 HydrophobicContact CG-CD 4.29Å; L245-K270 HydrophobicContact CG-CG 4.03Å
271R93.4Very high91.1Very high58 Ų5845 Ų4522%0.21925%0.245CC..EExtended strand (participates in β ladder)trans-78146.8168.5-158.4172.2178-170.30.3110A13 R16 E241 S274A13-R271 PolarHBondContact O-NH1 2.96Å; R16-R271 PolarHBondContact O-N 3.32Å; E241-R271 HydrophobicContact CB-CG 3.92Å; E241-R271 CarbonylContact O-C 3.38Å; E241-R271 VanDerWaalsContact O-CA 3.26Å; E241-R271 WeakPolarHBondContact O-CA 3.37Å; E241-R271 IonicContact OE1-NH2 3.85Å; E241-R271 IonicContact OE2-CZ 3.04Å; E241-R271 IonicContact OE2-NE 2.91Å; E241-R271 PolarHBondContact OE2-NE 2.79Å; E241-R271 IonicContact OE2-NH2 2.76Å; E241-R271 PolarHBondContact OE2-NH2 3.21Å; R271-S274 PolarHBondContact O-OG 3.45Å
272R88.8Confident90.8Very high146 Ų14643.6 Ų43.655%0.55124%0.243SC*.THydrogen-bonded Turntrans-66.2135175.6-71178.1175.4-157.3-2.3109.2E223 E241 V243 S274E223-R272 IonicContact OE1-CZ 3.88Å; E223-R272 IonicContact OE1-NE 3.64Å; E223-R272 IonicContact OE1-NH2 3.88Å; E223-R272 PolarHBondContact OE1-NH2 3.3Å; E223-R272 IonicContact OE2-NH2 3.07Å; E241-R272 WeakPolarHBondContact O-CG 3.43Å; E241-R272 PolarHBondContact O-N 2.73Å; V243-R272 HydrophobicContact CG2-CG 3.61Å; R272-S274 VanDerWaalsContact C-N 3.32Å; R272-S274 PolarHBondContact O-N 3.45Å
273G74.1Confident90.5Very high95 Ų9546.6 Ų46.698%0.97926%0.258SS*.THydrogen-bonded Turntrans75.512.3176.600000115.7
274S61.3Low90Very high77 Ų7745 Ų4554%0.53826%0.257SS..  trans-97.60177.468.70000114.5R16 R271 R272R16-S274 PolarHBondContact NH1-OXT 3.28Å; R271-S274 PolarHBondContact O-OG 3.45Å; R272-S274 VanDerWaalsContact C-N 3.32Å; R272-S274 PolarHBondContact O-N 3.45Å

Retrieved 274 of 274 residues in 56.8 ms (Link to these results)

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