A0A087XKE0_POEFO Loading...

Probable splicing factor YJU2B

May be involved in mRNA splicing.

AlphaFold DB , UniProt , Accession A0A087XKE0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 393 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
1M57.7Low83.9Confident248 Ų248147.4 Ų147.4100%1.22273%0.726SS**  0134.50-70.8-159.4-168.800107.7
2G80.9Confident84.5Confident77 Ų77136.5 Ų136.579%0.79468%0.675SS**  trans-69.5158175.400000112.1
3E88.3Confident85Confident160 Ų160134.7 Ų134.775%0.74868%0.679SS**  trans-59.3144.5175.5-74.5-177.2156.800112.4K5 G6E3-K5 PolarHBondContact O-N 3.22Å; E3-G6 PolarHBondContact O-N 2.85Å
4R84.3Confident85.5Confident232 Ų232133.1 Ų133.188%0.87567%0.674SS**THydrogen-bonded Turntrans-57.3-33.6179.3-179.7179.2125.674.3-3.5113
5K86.8Confident85.8Confident162 Ų162125.8 Ų125.870%0.70464%0.636SS**THydrogen-bonded Turntrans-125.258.6178.3-66.2-176179.1-179.80110.1E3 T7E3-K5 PolarHBondContact O-N 3.22Å; K5-T7 PolarHBondContact O-N 2.93Å; K5-T7 VanDerWaalsContact O-N 3.14Å
6G86.3Confident86.1Confident29 Ų29122 Ų12230%0.29962%0.618SS.*  trans-57.1119.5172.800000110.9E3E3-G6 PolarHBondContact O-N 2.85Å
7T86.6Confident86.2Confident126 Ų126120.1 Ų120.177%0.77362%0.615SS**SBendtrans-67.3-45.917546.20000110.4K5K5-T7 PolarHBondContact O-N 2.93Å; K5-T7 VanDerWaalsContact O-N 3.14Å
8N87.8Confident86.3Confident150 Ų150119.3 Ų119.380%0.80263%0.63SS**SBendtrans-101127178.2-64.5-21.8000110.1
9K86Confident86.3Confident134 Ų134121.4 Ų121.458%0.58363%0.633SS**  trans-112.8133.6173.4-66.6157.4-171.5165.20107.3Y11K9-Y11 HydrophobicContact CB-CE2 4.25Å; K9-Y11 WeakPolarHBondContact O-CD2 3.29Å; K9-Y11 WeakPolarHBondContact O-CE2 3.32Å; K9-Y11 PolarHBondContact O-N 3.21Å
10Y88.1Confident86.2Confident180 Ų180118.9 Ų118.971%0.70662%0.618SS**  trans-67.1125.2173.1177.1-103.8000109.4P12Y10-P12 HydrophobicContact CE1-CB 4.24Å
11Y89.8Confident86.2Confident123 Ų123116.2 Ų116.248%0.48262%0.619SS.*  trans-107.2126.6168.7-64.4-84.5000107.5K9 F15 L23K9-Y11 HydrophobicContact CB-CE2 4.25Å; K9-Y11 WeakPolarHBondContact O-CD2 3.29Å; K9-Y11 WeakPolarHBondContact O-CE2 3.32Å; K9-Y11 PolarHBondContact O-N 3.21Å; Y11-F15 AromaticContact CD1-CD1 3.55Å; Y11-F15 HydrophobicContact CD1-CD1 3.55Å; Y11-F15 AromaticContact CD1-CE1 3.61Å; Y11-F15 HydrophobicContact CD1-CE1 3.61Å; Y11-F15 HydrophobicContact CD1-CG 4.3Å; Y11-F15 HydrophobicContact CD1-CZ 4.41Å; Y11-F15 HydrophobicContact CE1-CD1 4.34Å; Y11-F15 AromaticContact CE1-CE1 3.93Å; Y11-F15 HydrophobicContact CE1-CE1 3.93Å; Y11-F15 HydrophobicContact CG-CD1 4.24Å; Y11-L23 HydrophobicContact CD1-CD1 4.33Å; Y11-L23 HydrophobicContact CE1-CB 4.47Å
12P91.7Very high87.6Confident17 Ų17107.1 Ų107.111%0.1158%0.58CS.*  trans-63.4151176.620.8-24.2000110.3Y10 D14 F15 L23 Y26Y10-P12 HydrophobicContact CE1-CB 4.24Å; P12-D14 PolarHBondContact O-N 3.05Å; P12-D14 VanDerWaalsContact O-N 3.12Å; P12-F15 HydrophobicContact CG-CB 4.04Å; P12-F15 VanDerWaalsContact O-CB 3.23Å; P12-F15 WeakPolarHBondContact O-CB 3.37Å; P12-F15 PolarHBondContact O-N 3.39Å; P12-L23 HydrophobicContact CG-CD1 4.47Å; P12-Y26 HydrophobicContact CB-CE1 4.26Å; P12-Y26 HydrophobicContact CG-CD1 3.86Å; P12-Y26 HydrophobicContact CG-CE1 3.33Å
13P91.1Very high87.8Confident113 Ų113105.6 Ų105.673%0.73455%0.553SS**THydrogen-bonded Turntrans-61.1-24.8-174.924.8-34.5000113.4F15P13-F15 VanDerWaalsContact C-N 3.29Å; P13-F15 PolarHBondContact O-N 2.74Å
14D91.1Very high87.7Confident113 Ų113100.8 Ų100.860%0.60453%0.533SS*.THydrogen-bonded Turntrans-82.4-2.5177.7-50.8-34.8000113.4P12 D16 Y26P12-D14 PolarHBondContact O-N 3.05Å; P12-D14 VanDerWaalsContact O-N 3.12Å; D14-D16 PolarHBondContact O-N 3.17Å; D14-Y26 HydrophobicContact CB-CE2 4.43Å
15F90.9Very high87.7Confident23 Ų2391.6 Ų91.610%0.10151%0.51CS..  trans-80.7105-176178.7-100.9000112.1Y11 P12 P13 P17 H20 Y26Y11-F15 AromaticContact CD1-CD1 3.55Å; Y11-F15 HydrophobicContact CD1-CD1 3.55Å; Y11-F15 AromaticContact CD1-CE1 3.61Å; Y11-F15 HydrophobicContact CD1-CE1 3.61Å; Y11-F15 HydrophobicContact CD1-CG 4.3Å; Y11-F15 HydrophobicContact CD1-CZ 4.41Å; Y11-F15 HydrophobicContact CE1-CD1 4.34Å; Y11-F15 AromaticContact CE1-CE1 3.93Å; Y11-F15 HydrophobicContact CE1-CE1 3.93Å; Y11-F15 HydrophobicContact CG-CD1 4.24Å; P12-F15 HydrophobicContact CG-CB 4.04Å; P12-F15 VanDerWaalsContact O-CB 3.23Å; P12-F15 WeakPolarHBondContact O-CB 3.37Å; P12-F15 PolarHBondContact O-N 3.39Å; P13-F15 VanDerWaalsContact C-N 3.29Å; P13-F15 PolarHBondContact O-N 2.74Å; F15-P17 HydrophobicContact CD1-CG 4.45Å; F15-P17 HydrophobicContact CE1-CB 4.32Å; F15-P17 HydrophobicContact CE1-CG 4.04Å; F15-H20 HydrophobicContact CD2-CB 3.93Å; F15-H20 HydrophobicContact CE2-CB 3.56Å; F15-H20 HydrophobicContact CZ-CB 4.46Å; F15-Y26 HydrophobicContact CD2-CD2 4Å; F15-Y26 AromaticContact CD2-CG 3.84Å; F15-Y26 HydrophobicContact CD2-CG 3.84Å
16D89.7Confident87.7Confident65 Ų6587 Ų8735%0.34849%0.489SS..  trans-91.3117.5167.3-72.1-25.9000111.9D14 A18 K19 H20D14-D16 PolarHBondContact O-N 3.17Å; D16-A18 VanDerWaalsContact C-N 3.26Å; D16-A18 PolarHBondContact O-N 2.95Å; D16-K19 HydrophobicContact CB-CB 4.03Å; D16-K19 HydrophobicContact CB-CD 4.04Å; D16-K19 HydrophobicContact CB-CG 4.04Å; D16-K19 PolarHBondContact O-N 3.41Å; D16-K19 WeakPolarHBondContact OD2-CD 3.44Å; D16-K19 VanDerWaalsContact OD2-CE 3.3Å; D16-K19 WeakPolarHBondContact OD2-CE 3.38Å; D16-K19 IonicContact OD2-NZ 2.74Å; D16-K19 PolarHBondContact OD2-NZ 3.42Å; D16-H20 PolarHBondContact O-CD2 2.85Å; D16-H20 PolarHBondContact O-N 3.42Å
17P88.4Confident87.7Confident89 Ų8990.5 Ų90.558%0.57850%0.497SS*.Hα-helixtrans-60.1-34.6178.6-20.930.2000113.3F15 G21F15-P17 HydrophobicContact CD1-CG 4.45Å; F15-P17 HydrophobicContact CE1-CB 4.32Å; F15-P17 HydrophobicContact CE1-CG 4.04Å; P17-G21 WeakPolarHBondContact O-CA 3.5Å; P17-G21 PolarHBondContact O-N 3.3Å
18A88.6Confident87.6Confident106 Ų10694 Ų9488%0.87650%0.502SS*.Hα-helixtrans-70.9-30.8-179.700000113.1D16D16-A18 VanDerWaalsContact C-N 3.26Å; D16-A18 PolarHBondContact O-N 2.95Å
19K86.3Confident87.4Confident160 Ų16090.2 Ų90.270%0.69648%0.484SS*.Hα-helixtrans-91.3-41.1-178.9-63.1179.3-172.4152.10112.4D16D16-K19 HydrophobicContact CB-CB 4.03Å; D16-K19 HydrophobicContact CB-CD 4.04Å; D16-K19 HydrophobicContact CB-CG 4.04Å; D16-K19 PolarHBondContact O-N 3.41Å; D16-K19 WeakPolarHBondContact OD2-CD 3.44Å; D16-K19 VanDerWaalsContact OD2-CE 3.3Å; D16-K19 WeakPolarHBondContact OD2-CE 3.38Å; D16-K19 IonicContact OD2-NZ 2.74Å; D16-K19 PolarHBondContact OD2-NZ 3.42Å
20H82.9Confident87.4Confident71 Ų7187.9 Ų87.933%0.32948%0.475SS..Hα-helixtrans-98.4-16.9-173.2-61.1-68.5000113.5F15 D16 S22 Y26F15-H20 HydrophobicContact CD2-CB 3.93Å; F15-H20 HydrophobicContact CE2-CB 3.56Å; F15-H20 HydrophobicContact CZ-CB 4.46Å; D16-H20 PolarHBondContact O-CD2 2.85Å; D16-H20 PolarHBondContact O-N 3.42Å; H20-S22 PolarHBondContact O-N 3.38Å; H20-Y26 AromaticContact CD2-CD2 3.89Å; H20-Y26 AromaticContact CE1-CD2 3.9Å; H20-Y26 AromaticContact CG-CD2 3.91Å; H20-Y26 AromaticContact ND1-CD2 3.92Å; H20-Y26 AromaticContact NE2-CD2 3.89Å
21G87.4Confident87.3Confident62 Ų6282.3 Ų82.364%0.63947%0.466SS*.SBendtrans70.8-59.3179.700000113.6P17P17-G21 WeakPolarHBondContact O-CA 3.5Å; P17-G21 PolarHBondContact O-N 3.3Å
22S86Confident87Confident58 Ų5880.3 Ų80.341%0.40646%0.463SS..SBendtrans-138157.5178.870.40000111.6H20 N24 G25 Y26H20-S22 PolarHBondContact O-N 3.38Å; S22-N24 PolarHBondContact O-N 2.88Å; S22-G25 WeakPolarHBondContact O-CA 3.45Å; S22-G25 PolarHBondContact O-N 3.26Å; S22-G25 PolarHBondContact OG-N 2.91Å; S22-Y26 PolarHBondContact O-N 2.93Å
23L85.7Confident86.8Confident44 Ų4488.5 Ų88.523%0.2349%0.492CS..Hα-helixtrans-56.9-32.6175.7-171.765.8000112.3Y11 P12 Y26 H27Y11-L23 HydrophobicContact CD1-CD1 4.33Å; Y11-L23 HydrophobicContact CE1-CB 4.47Å; P12-L23 HydrophobicContact CG-CD1 4.47Å; L23-Y26 HydrophobicContact CD1-CD1 4.49Å; L23-Y26 PolarHBondContact O-N 3.31Å; L23-H27 PolarHBondContact O-N 3.47Å
24N85.5Confident86.6Confident60 Ų6089.2 Ų89.232%0.32149%0.486SS..Hα-helixtrans-64.4-40.6173.9-71.1-20.1000111.6S22 H27 K28 T29S22-N24 PolarHBondContact O-N 2.88Å; N24-H27 CarbonylContact O-C 3.51Å; N24-H27 PolarHBondContact O-N 2.88Å; N24-K28 PolarHBondContact O-N 3.01Å; N24-T29 CarbonylContact C-O 3.56Å; N24-T29 WeakPolarHBondContact CB-O 3.46Å; N24-T29 PolarHBondContact O-N 3.38Å; N24-T29 VanDerWaalsContact O-O 3.12Å; N24-T29 PolarHBondContact O-OG1 3.36Å
25G84.2Confident86.5Confident38 Ų3888.6 Ų88.639%0.39248%0.475SS..Hα-helixtrans-63.9-41.7174.500000112.6S22 H27 K28S22-G25 WeakPolarHBondContact O-CA 3.45Å; S22-G25 PolarHBondContact O-N 3.26Å; S22-G25 PolarHBondContact OG-N 2.91Å; G25-H27 PolarHBondContact O-N 3.43Å; G25-K28 PolarHBondContact O-N 3.22Å; G25-K28 VanDerWaalsContact O-N 3.1Å
26Y86.8Confident86.5Confident66 Ų6688.1 Ų88.126%0.25948%0.475SS..Hα-helixtrans-59.7-44.9173.5177.8-97.8000112.1P12 D14 F15 H20 S22 L23 K28P12-Y26 HydrophobicContact CB-CE1 4.26Å; P12-Y26 HydrophobicContact CG-CD1 3.86Å; P12-Y26 HydrophobicContact CG-CE1 3.33Å; D14-Y26 HydrophobicContact CB-CE2 4.43Å; F15-Y26 HydrophobicContact CD2-CD2 4Å; F15-Y26 AromaticContact CD2-CG 3.84Å; F15-Y26 HydrophobicContact CD2-CG 3.84Å; H20-Y26 AromaticContact CD2-CD2 3.89Å; H20-Y26 AromaticContact CE1-CD2 3.9Å; H20-Y26 AromaticContact CG-CD2 3.91Å; H20-Y26 AromaticContact ND1-CD2 3.92Å; H20-Y26 AromaticContact NE2-CD2 3.89Å; S22-Y26 PolarHBondContact O-N 2.93Å; L23-Y26 HydrophobicContact CD1-CD1 4.49Å; L23-Y26 PolarHBondContact O-N 3.31Å; Y26-K28 VanDerWaalsContact C-N 3.25Å; Y26-K28 PolarHBondContact O-N 2.89Å
27H86.3Confident86.4Confident102 Ų10293.4 Ų93.447%0.47249%0.49SS..THydrogen-bonded Turntrans-80.24175.6-62.6156.1000114.6L23 N24 G25 T29L23-H27 PolarHBondContact O-N 3.47Å; N24-H27 CarbonylContact O-C 3.51Å; N24-H27 PolarHBondContact O-N 2.88Å; G25-H27 PolarHBondContact O-N 3.43Å; H27-T29 HydrophobicContact CB-CG2 4.11Å; H27-T29 WeakPolarHBondContact O-CG2 3.37Å; H27-T29 PolarHBondContact O-N 3.12Å; H27-T29 VanDerWaalsContact O-N 3.13Å
28K84.6Confident86.5Confident201 Ų20192.6 Ų92.687%0.87448%0.477SS*.THydrogen-bonded Turntrans52.133-175.2-55.8177.3-177.51760113.3N24 G25 Y26N24-K28 PolarHBondContact O-N 3.01Å; G25-K28 PolarHBondContact O-N 3.22Å; G25-K28 VanDerWaalsContact O-N 3.1Å; Y26-K28 VanDerWaalsContact C-N 3.25Å; Y26-K28 PolarHBondContact O-N 2.89Å
29T84.9Confident86.5Confident69 Ų6991.3 Ų91.342%0.42346%0.456SS..  trans-107.9143.7179.957.90000110.3N24 H27N24-T29 CarbonylContact C-O 3.56Å; N24-T29 WeakPolarHBondContact CB-O 3.46Å; N24-T29 PolarHBondContact O-N 3.38Å; N24-T29 VanDerWaalsContact O-O 3.12Å; N24-T29 PolarHBondContact O-OG1 3.36Å; H27-T29 HydrophobicContact CB-CG2 4.11Å; H27-T29 WeakPolarHBondContact O-CG2 3.37Å; H27-T29 PolarHBondContact O-N 3.12Å; H27-T29 VanDerWaalsContact O-N 3.13Å
30H84.9Confident86.5Confident85 Ų8589.3 Ų89.339%0.39446%0.462SS..  trans-82.9144.9174.3-169-95000110.7L32 R33 A36 L39H30-L32 PolarHBondContact ND1-N 3.05Å; H30-L32 PolarHBondContact O-N 3.28Å; H30-R33 WeakPolarHBondContact O-CA 3.38Å; H30-R33 PolarHBondContact O-N 3.01Å; H30-A36 HydrophobicContact CB-CB 4.27Å; H30-A36 WeakPolarHBondContact ND1-CB 3.47Å; H30-L39 WeakPolarHBondContact NE2-CD2 3.4Å
31A85.8Confident86.8Confident64 Ų6492.1 Ų92.153%0.52948%0.475SS..THydrogen-bonded Turntrans-56.8-37.9179.700000112.9R33A31-R33 VanDerWaalsContact C-N 3.29Å; A31-R33 PolarHBondContact O-N 3.4Å
32L84.5Confident86.9Confident80 Ų8091.4 Ų91.442%0.41947%0.468SS..THydrogen-bonded Turntrans-86.13.5177.3-76.670.8000113.2H30 E34 R35 A36 L44H30-L32 PolarHBondContact ND1-N 3.05Å; H30-L32 PolarHBondContact O-N 3.28Å; L32-E34 PolarHBondContact O-N 3.08Å; L32-R35 HydrophobicContact CB-CB 4.21Å; L32-R35 WeakPolarHBondContact O-CB 3.17Å; L32-R35 PolarHBondContact O-N 3.47Å; L32-R35 VanDerWaalsContact O-N 3.09Å; L32-A36 HydrophobicContact CB-CB 4.12Å; L32-L44 HydrophobicContact CD2-CD1 3.69Å; L32-L44 HydrophobicContact CD2-CD2 4.02Å; L32-L44 HydrophobicContact CD2-CG 4.43Å
33R87.2Confident87.3Confident190 Ų19089.5 Ų89.572%0.71745%0.453SS*.G310 helixtrans44.6-121.1177.7-56.8-173.9-174.6113.4-0.3112.7H30 A31 R35 A36H30-R33 WeakPolarHBondContact O-CA 3.38Å; H30-R33 PolarHBondContact O-N 3.01Å; A31-R33 VanDerWaalsContact C-N 3.29Å; A31-R33 PolarHBondContact O-N 3.4Å; R33-R35 PolarHBondContact O-N 3.47Å; R33-A36 PolarHBondContact O-N 3.44Å; R33-A36 VanDerWaalsContact O-N 3.09Å
34E86.4Confident87.7Confident128 Ų12889.4 Ų89.460%0.59845%0.452SS*.G310 helixtrans-60.2-28.8-175.2-55.4-168.4144.700113.8L32 A36 R37L32-E34 PolarHBondContact O-N 3.08Å; E34-A36 PolarHBondContact O-N 3.47Å; E34-R37 WeakPolarHBondContact O-CB 3.09Å; E34-R37 VanDerWaalsContact O-CD 3.26Å; E34-R37 WeakPolarHBondContact O-CD 3.28Å; E34-R37 WeakPolarHBondContact O-CG 3.39Å; E34-R37 PolarHBondContact O-N 3.21Å; E34-R37 IonicContact OE1-CZ 2.69Å; E34-R37 IonicContact OE1-NH2 2.89Å; E34-R37 PolarHBondContact OE1-NH2 3.43Å; E34-R37 IonicContact OE2-NH2 3.27Å
35R89.7Confident88.1Confident100 Ų10088.8 Ų88.838%0.37745%0.449SS..G310 helixtrans-64.8-28.6179.7-169.3-177.7-82.4-129.44.3112.5L32 R33 L44 I45L32-R35 HydrophobicContact CB-CB 4.21Å; L32-R35 WeakPolarHBondContact O-CB 3.17Å; L32-R35 PolarHBondContact O-N 3.47Å; L32-R35 VanDerWaalsContact O-N 3.09Å; R33-R35 PolarHBondContact O-N 3.47Å; R35-L44 HydrophobicContact CG-CD1 4.01Å; R35-L44 HydrophobicContact CG-CG 4.32Å; R35-I45 WeakPolarHBondContact CD-O 3.39Å; R35-I45 HydrophobicContact CG-CB 4.02Å; R35-I45 WeakPolarHBondContact CG-O 3.27Å; R35-I45 PolarHBondContact NE-O 2.91Å; R35-I45 PolarHBondContact NH1-O 2.9Å; R35-I45 PolarHBondContact O-N 3.06Å; R35-I45 VanDerWaalsContact O-N 3.1Å
36A90.3Very high88.7Confident12 Ų1288.4 Ų88.410%0.09944%0.437CS..G310 helixtrans-98.213.8-179.300000113.4H30 L32 R33 E34 K38 L39 L44H30-A36 HydrophobicContact CB-CB 4.27Å; H30-A36 WeakPolarHBondContact ND1-CB 3.47Å; L32-A36 HydrophobicContact CB-CB 4.12Å; R33-A36 PolarHBondContact O-N 3.44Å; R33-A36 VanDerWaalsContact O-N 3.09Å; E34-A36 PolarHBondContact O-N 3.47Å; A36-K38 PolarHBondContact O-N 3.16Å; A36-K38 VanDerWaalsContact O-N 3.09Å; A36-L39 HydrophobicContact CB-CB 4.18Å; A36-L39 HydrophobicContact CB-CD2 4.34Å; A36-L39 VanDerWaalsContact O-CB 3.24Å; A36-L39 WeakPolarHBondContact O-CB 3.45Å; A36-L39 PolarHBondContact O-N 3.18Å; A36-L44 HydrophobicContact CB-CD1 4.37Å
37R88.9Confident89.1Confident176 Ų17693.5 Ų93.566%0.66446%0.456SS*.THydrogen-bonded Turntrans-54.3-30.3178-77.1168.5-177.2-159.97.1113.3E34E34-R37 WeakPolarHBondContact O-CB 3.09Å; E34-R37 VanDerWaalsContact O-CD 3.26Å; E34-R37 WeakPolarHBondContact O-CD 3.28Å; E34-R37 WeakPolarHBondContact O-CG 3.39Å; E34-R37 PolarHBondContact O-N 3.21Å; E34-R37 IonicContact OE1-CZ 2.69Å; E34-R37 IonicContact OE1-NH2 2.89Å; E34-R37 PolarHBondContact OE1-NH2 3.43Å; E34-R37 IonicContact OE2-NH2 3.27Å
38K89.5Confident89.6Confident72 Ų7289.3 Ų89.331%0.31344%0.436SS..THydrogen-bonded Turntrans-106.720.1-180-57.8-174.6-177.8-177.90113.7A36 S40 Q41 I43 E72A36-K38 PolarHBondContact O-N 3.16Å; A36-K38 VanDerWaalsContact O-N 3.09Å; K38-S40 PolarHBondContact O-N 3.26Å; K38-Q41 WeakPolarHBondContact O-CB 3.49Å; K38-Q41 PolarHBondContact O-N 2.78Å; K38-I43 CarbonylContact C-O 3.5Å; K38-I43 HydrophobicContact CB-CB 3.92Å; K38-I43 HydrophobicContact CB-CG2 4.29Å; K38-I43 HydrophobicContact CD-CG2 4.48Å; K38-I43 PolarHBondContact O-N 2.97Å; K38-E72 IonicContact NZ-OE1 3.01Å; K38-E72 PolarHBondContact NZ-OE1 3.14Å
39L88.6Confident90.1Very high80 Ų8084.6 Ų84.642%0.41942%0.418SS..G310 helixtrans-65-29-176.2-170.664.6000112.8H30 A36 Q41 G42 I43H30-L39 WeakPolarHBondContact NE2-CD2 3.4Å; A36-L39 HydrophobicContact CB-CB 4.18Å; A36-L39 HydrophobicContact CB-CD2 4.34Å; A36-L39 VanDerWaalsContact O-CB 3.24Å; A36-L39 WeakPolarHBondContact O-CB 3.45Å; A36-L39 PolarHBondContact O-N 3.18Å; L39-Q41 PolarHBondContact O-N 3.39Å; L39-G42 WeakPolarHBondContact O-CA 3.47Å; L39-G42 PolarHBondContact O-N 3.4Å; L39-I43 PolarHBondContact N-O 3.44Å
40S87Confident90.6Very high118 Ų11881.5 Ų81.583%0.82540%0.398SS*.G310 helixtrans-59.1-25.4172.655.10000113.2K38K38-S40 PolarHBondContact O-N 3.26Å
41Q88.7Confident91.1Very high130 Ų13079.3 Ų79.361%0.60739%0.392SS*.G310 helixtrans-93.64.5176-60.2174.3-9.800112.3K38 L39 I43K38-Q41 WeakPolarHBondContact O-CB 3.49Å; K38-Q41 PolarHBondContact O-N 2.78Å; L39-Q41 PolarHBondContact O-N 3.39Å; Q41-I43 HydrophobicContact CB-CD1 4.03Å; Q41-I43 HydrophobicContact CB-CG1 4.17Å; Q41-I43 PolarHBondContact O-N 3.06Å
42G89.5Confident91.5Very high47 Ų4777.4 Ų77.449%0.48537%0.371SS..THydrogen-bonded Turntrans70.417.7-172.900000113.9L39L39-G42 WeakPolarHBondContact O-CA 3.47Å; L39-G42 PolarHBondContact O-N 3.4Å
43I93.9Very high92Very high17 Ų1775 Ų759%0.08736%0.359CS..EExtended strand (participates in β ladder)trans-105.1122.3-176.7-59.2170.9000109.4K38 L39 Q41 E72 K73 K74K38-I43 CarbonylContact C-O 3.5Å; K38-I43 HydrophobicContact CB-CB 3.92Å; K38-I43 HydrophobicContact CB-CG2 4.29Å; K38-I43 HydrophobicContact CD-CG2 4.48Å; K38-I43 PolarHBondContact O-N 2.97Å; L39-I43 PolarHBondContact N-O 3.44Å; Q41-I43 HydrophobicContact CB-CD1 4.03Å; Q41-I43 HydrophobicContact CB-CG1 4.17Å; Q41-I43 PolarHBondContact O-N 3.06Å; I43-E72 HydrophobicContact CG2-CB 3.63Å; I43-E72 HydrophobicContact CG2-CG 3.97Å; I43-K73 WeakPolarHBondContact CA-O 3.5Å; I43-K74 HydrophobicContact CG1-CB 4.48Å
44L94.1Very high92.3Very high43 Ų4366 Ų6623%0.22533%0.325CS..EExtended strand (participates in β ladder)trans-110.8128.4173-172.170.3000109.9L32 R35 A36 I46 K73L32-L44 HydrophobicContact CD2-CD1 3.69Å; L32-L44 HydrophobicContact CD2-CD2 4.02Å; L32-L44 HydrophobicContact CD2-CG 4.43Å; R35-L44 HydrophobicContact CG-CD1 4.01Å; R35-L44 HydrophobicContact CG-CG 4.32Å; A36-L44 HydrophobicContact CB-CD1 4.37Å; L44-I46 HydrophobicContact CD2-CG2 4.07Å; L44-I46 HydrophobicContact CG-CG2 4.22Å; L44-K73 PolarHBondContact N-O 3.23Å; L44-K73 WeakPolarHBondContact O-CB 3.34Å; L44-K73 PolarHBondContact O-N 3.49Å
45I95.3Very high92.8Very high47 Ų4765 Ų6524%0.24132%0.315CS..EExtended strand (participates in β ladder)trans-73.9134.3174.1-58.3169.6000107.9R35 N70 A71R35-I45 WeakPolarHBondContact CD-O 3.39Å; R35-I45 HydrophobicContact CG-CB 4.02Å; R35-I45 WeakPolarHBondContact CG-O 3.27Å; R35-I45 PolarHBondContact NE-O 2.91Å; R35-I45 PolarHBondContact NH1-O 2.9Å; R35-I45 PolarHBondContact O-N 3.06Å; R35-I45 VanDerWaalsContact O-N 3.1Å; I45-N70 HydrophobicContact CG2-CB 4.36Å; I45-A71 CarbonylContact C-O 3.51Å; I45-A71 WeakPolarHBondContact CA-O 3.49Å
46I95.5Very high93.1Very high30 Ų3060.3 Ų60.315%0.15430%0.298CS..EExtended strand (participates in β ladder)trans-136160.9175.964.3161.7000110.9L44 F48 N70 A71 K73 F87L44-I46 HydrophobicContact CD2-CG2 4.07Å; L44-I46 HydrophobicContact CG-CG2 4.22Å; I46-F48 HydrophobicContact CD1-CB 4.42Å; I46-F48 HydrophobicContact CD1-CD2 4.31Å; I46-F48 HydrophobicContact CG1-CB 4.49Å; I46-N70 CarbonylContact O-C 3.2Å; I46-N70 WeakPolarHBondContact O-CA 3.26Å; I46-A71 HydrophobicContact CG1-CB 4.35Å; I46-A71 PolarHBondContact N-O 3.36Å; I46-A71 PolarHBondContact O-N 3.25Å; I46-K73 HydrophobicContact CD1-CB 4.23Å; I46-K73 HydrophobicContact CD1-CD 4.34Å; I46-K73 HydrophobicContact CG1-CB 4.21Å; I46-K73 HydrophobicContact CG2-CB 4.39Å; I46-F87 HydrophobicContact CD1-CD1 3.8Å; I46-F87 HydrophobicContact CD1-CE1 3.45Å; I46-F87 VanDerWaalsContact CD1-CE1 3.45Å; I46-F87 HydrophobicContact CG1-CD1 4.44Å; I46-F87 HydrophobicContact CG1-CE1 4.48Å
47R95.3Very high93.3Very high173 Ų17362.7 Ų62.765%0.65331%0.309SS*.EExtended strand (participates in β ladder)trans-85.1114166.3-71.8-100.3-178.71391.9106.3Y69R47-Y69 WeakPolarHBondContact CA-O 3.39Å
48F96.3Very high93.5Very high14 Ų1456.6 Ų56.66%0.06130%0.301CS..EExtended strand (participates in β ladder)trans-115.2133.2-178.2-174.6-96.3000109I46 M50 R68 Y69 A71 F87 M89 M100 Y109I46-F48 HydrophobicContact CD1-CB 4.42Å; I46-F48 HydrophobicContact CD1-CD2 4.31Å; I46-F48 HydrophobicContact CG1-CB 4.49Å; F48-M50 HydrophobicContact CE1-SD 4.48Å; F48-R68 CarbonylContact O-C 3.53Å; F48-R68 WeakPolarHBondContact O-CA 2.85Å; F48-Y69 PolarHBondContact N-O 3.18Å; F48-Y69 PolarHBondContact O-N 3.33Å; F48-A71 HydrophobicContact CB-CB 3.62Å; F48-A71 HydrophobicContact CG-CB 4.34Å; F48-F87 HydrophobicContact CD2-CD1 4.03Å; F48-F87 HydrophobicContact CD2-CD2 4.28Å; F48-F87 HydrophobicContact CD2-CE1 4.23Å; F48-F87 HydrophobicContact CD2-CE2 4.47Å; F48-F87 HydrophobicContact CD2-CG 4.05Å; F48-F87 HydrophobicContact CD2-CZ 4.44Å; F48-F87 HydrophobicContact CE2-CD1 4.3Å; F48-F87 AromaticContact CE2-CD2 3.74Å; F48-F87 HydrophobicContact CE2-CD2 3.74Å; F48-F87 HydrophobicContact CE2-CE1 4.41Å; F48-F87 AromaticContact CE2-CE2 3.86Å; F48-F87 HydrophobicContact CE2-CE2 3.86Å; F48-F87 AromaticContact CE2-CG 3.97Å; F48-F87 HydrophobicContact CE2-CG 3.97Å; F48-F87 HydrophobicContact CE2-CZ 4.19Å; F48-F87 HydrophobicContact CZ-CD2 4.15Å; F48-F87 HydrophobicContact CZ-CG 4.47Å; F48-M89 HydrophobicContact CD1-CE 3.49Å; F48-M89 VanDerWaalsContact CD1-CE 3.49Å; F48-M89 HydrophobicContact CD1-SD 4.03Å; F48-M89 HydrophobicContact CE1-CE 3.76Å; F48-M89 HydrophobicContact CG-CE 4.3Å; F48-M100 HydrophobicContact CE1-SD 3.91Å; F48-M100 HydrophobicContact CZ-SD 4.39Å; F48-Y109 AromaticContact CE2-CE1 3.92Å; F48-Y109 HydrophobicContact CE2-CE1 3.92Å; F48-Y109 HydrophobicContact CZ-CD1 4.19Å; F48-Y109 AromaticContact CZ-CE1 3.94Å; F48-Y109 HydrophobicContact CZ-CE1 3.94Å
49E96.7Very high93.7Very high102 Ų10254.9 Ų54.948%0.47730%0.298SS..EExtended strand (participates in β ladder)trans-100136.9175.5-73177.3172.900108.7R68E49-R68 HydrophobicContact CG-CG 3.61Å; E49-R68 IonicContact OE1-CZ 3.95Å; E49-R68 VanDerWaalsContact OE1-CZ 3.27Å; E49-R68 IonicContact OE1-NE 3.24Å; E49-R68 PolarHBondContact OE1-NE 3.46Å; E49-R68 IonicContact OE1-NH2 3.78Å; E49-R68 PolarHBondContact OE1-NH2 3.2Å
50M95.6Very high94Very high3 Ų358.3 Ų58.32%0.01531%0.309CS..  trans-65.6125.2179.8-75.1-61.7-162.600111.1F48 I54 I63 G66 V67 Y69 M89 I98 M100F48-M50 HydrophobicContact CE1-SD 4.48Å; M50-I54 HydrophobicContact CE-CD1 3.5Å; M50-I54 VanDerWaalsContact CE-CD1 3.5Å; M50-I54 HydrophobicContact SD-CD1 3.99Å; M50-I63 HydrophobicContact CE-CG2 4.34Å; M50-I63 HydrophobicContact CG-CG2 3.91Å; M50-G66 PolarHBondContact O-N 3.49Å; M50-V67 HydrophobicContact CG-CB 4.43Å; M50-V67 PolarHBondContact N-O 3.19Å; M50-Y69 HydrophobicContact CE-CD2 3.8Å; M50-Y69 HydrophobicContact CE-CE2 3.5Å; M50-Y69 HydrophobicContact CG-CD2 3.99Å; M50-Y69 HydrophobicContact CG-CE2 3.73Å; M50-Y69 HydrophobicContact SD-CD2 4.43Å; M50-Y69 HydrophobicContact SD-CE2 4.37Å; M50-M89 HydrophobicContact CE-CE 4.46Å; M50-M89 HydrophobicContact CE-CG 4.28Å; M50-M89 HydrophobicContact CE-SD 3.42Å; M50-M89 WeakPolarHBondContact CE-SD 3.36Å; M50-M89 HydrophobicContact SD-SD 4Å; M50-I98 HydrophobicContact CE-CD1 4.15Å; M50-M100 HydrophobicContact CE-CE 4.01Å; M50-M100 HydrophobicContact SD-CE 3.37Å; M50-M100 WeakPolarHBondContact SD-CE 3.42Å; M50-M100 HydrophobicContact SD-SD 3.84Å
51P94.2Very high94.3Very high40 Ų4056.2 Ų56.226%0.2629%0.289SS..SBendtrans-74.1-27.1-174.228-34.9000113.8M100 Y109P51-M100 HydrophobicContact CG-SD 4.27Å; P51-Y109 HydrophobicContact CB-CD2 3.75Å; P51-Y109 HydrophobicContact CB-CE2 4.25Å; P51-Y109 HydrophobicContact CB-CG 4.43Å; P51-Y109 HydrophobicContact CG-CD2 3.83Å; P51-Y109 HydrophobicContact CG-CG 4Å
52Y93.6Very high94.5Very high23 Ų2353.8 Ų53.89%0.0928%0.277CS..SBendtrans-152.3170.1178.945.5-106.9000110.6I54 Y109 I111 R117Y52-I54 HydrophobicContact CD2-CG2 3.59Å; Y52-I54 HydrophobicContact CE2-CG2 3.59Å; Y52-Y109 WeakPolarHBondContact CE1-O 3.37Å; Y52-Y109 PolarHBondContact OH-O 2.92Å; Y52-I111 HydrophobicContact CE2-CD1 3.95Å; Y52-I111 HydrophobicContact CE2-CG1 4.2Å; Y52-I111 WeakPolarHBondContact OH-CG1 3.35Å; Y52-R117 HydrophobicContact CD2-CB 4.38Å; Y52-R117 HydrophobicContact CD2-CG 3.66Å; Y52-R117 HydrophobicContact CE2-CB 3.97Å; Y52-R117 HydrophobicContact CE2-CG 3.64Å; Y52-R117 HydrophobicContact CG-CG 4.4Å
53N95.1Very high94.8Very high31 Ų3151.7 Ų51.717%0.16626%0.255CS..  trans-66.6132.1178.3-66.7-32.4000111H62 G64 M65 K118 E120N53-H62 WeakPolarHBondContact CB-NE2 3.39Å; N53-G64 WeakPolarHBondContact OD1-CA 3.26Å; N53-M65 PolarHBondContact OD1-N 2.97Å; N53-K118 HydrophobicContact CB-CB 3.86Å; N53-K118 HydrophobicContact CB-CD 4.02Å; N53-K118 WeakPolarHBondContact O-CB 3.37Å; N53-K118 PolarHBondContact O-N 3.25Å; N53-E120 PolarHBondContact ND2-OE2 3.13Å
54I95.2Very high94.9Very high0 Ų051.7 Ų51.70%026%0.259CS..EExtended strand (participates in β ladder)trans-135.4155.2-179.767.3176.9000111.9M50 Y52 I63 I98 M100 I111 A115 R116M50-I54 HydrophobicContact CE-CD1 3.5Å; M50-I54 VanDerWaalsContact CE-CD1 3.5Å; M50-I54 HydrophobicContact SD-CD1 3.99Å; Y52-I54 HydrophobicContact CD2-CG2 3.59Å; Y52-I54 HydrophobicContact CE2-CG2 3.59Å; I54-I63 HydrophobicContact CD1-CB 4.29Å; I54-I63 HydrophobicContact CD1-CD1 3.97Å; I54-I63 HydrophobicContact CG1-CB 3.71Å; I54-I63 HydrophobicContact CG1-CD1 4.11Å; I54-I63 HydrophobicContact CG1-CG1 4.38Å; I54-I63 HydrophobicContact CG1-CG2 4.33Å; I54-I63 PolarHBondContact N-O 3.45Å; I54-I63 PolarHBondContact O-N 3.42Å; I54-I98 HydrophobicContact CD1-CD1 4.02Å; I54-I98 HydrophobicContact CD1-CG2 4.35Å; I54-M100 HydrophobicContact CD1-CE 3.69Å; I54-M100 HydrophobicContact CG2-CE 4.06Å; I54-I111 HydrophobicContact CG2-CD1 3.92Å; I54-A115 HydrophobicContact CB-CB 4.32Å; I54-A115 HydrophobicContact CD1-CB 3.87Å; I54-A115 HydrophobicContact CG1-CB 4.43Å; I54-R116 CarbonylContact C-O 3.6Å; I54-R116 VanDerWaalsContact CA-O 3.28Å; I54-R116 WeakPolarHBondContact CA-O 3.45Å; I54-R116 WeakPolarHBondContact CB-O 3.47Å
55W95.8Very high94.9Very high107 Ų10756 Ų5641%0.40528%0.28SS..EExtended strand (participates in β ladder)trans-104124.3168.4-64.9101.1000109.2K60 H62 A115 R116W55-K60 VanDerWaalsContact CE3-O 3.32Å; W55-H62 HydrophobicContact CE3-CB 4.01Å; W55-H62 HydrophobicContact CH2-CB 3.96Å; W55-H62 HydrophobicContact CZ2-CB 4.49Å; W55-H62 HydrophobicContact CZ3-CB 3.7Å; W55-A115 CarbonylContact O-C 3.58Å; W55-A115 WeakPolarHBondContact O-CA 3.14Å; W55-A115 WeakPolarHBondContact O-CB 3.3Å; W55-R116 PolarHBondContact N-O 3.01Å; W55-R116 PolarHBondContact O-N 3.4Å
56C96.4Very high94.9Very high1 Ų155.5 Ų55.51%0.00729%0.287CS..EExtended strand (participates in β ladder)trans-75.1133176.1-174.60000110.6G58 K60 N61 I63C56-G58 VanDerWaalsContact C-N 3.28Å; C56-G58 PolarHBondContact O-N 3.42Å; C56-K60 WeakPolarHBondContact O-CA 3.37Å; C56-K60 PolarHBondContact O-N 3.06Å; C56-N61 PolarHBondContact N-O 3.46Å; C56-N61 VanDerWaalsContact N-O 3.15Å; C56-I63 HydrophobicContact CB-CD1 4.24Å
57D94.4Very high94.9Very high63 Ų6356.7 Ų56.734%0.33730%0.295SS..THydrogen-bonded Turntrans-72.1-23.3-179.3-69.2-35.5000113.3G114 A115 R116D57-G114 PolarHBondContact N-O 2.85Å; D57-A115 PolarHBondContact OD2-N 3.37Å; D57-R116 IonicContact OD1-CZ 3.88Å; D57-R116 IonicContact OD1-NE 2.9Å; D57-R116 PolarHBondContact OD1-NE 3.46Å; D57-R116 IonicContact OD1-NH2 3.84Å; D57-R116 PolarHBondContact OD1-NH2 2.89Å
58G93.4Very high94.9Very high48 Ų4856.8 Ų56.850%0.49530%0.296SS..THydrogen-bonded Turntrans-73.9-62.1179.100000113.4C56C56-G58 VanDerWaalsContact C-N 3.28Å; C56-G58 PolarHBondContact O-N 3.42Å
59C93.8Very high94.9Very high36 Ų3657 Ų5724%0.24330%0.296CS..THydrogen-bonded Turntrans-95.2-10.8-178.655.80000114.5N61 C94C59-N61 PolarHBondContact O-N 3.22Å; C59-N61 VanDerWaalsContact O-N 3.11Å; C59-N61 PolarHBondContact O-OD1 3.45Å; C59-C94 HydrophobicContact CB-CB 4.05Å
60K93.7Very high94.9Very high151 Ų15157.5 Ų57.566%0.65730%0.302SS*.  trans58.415.3-173.9-55.8178.5-177.4178.40114.6W55 C56W55-K60 VanDerWaalsContact CE3-O 3.32Å; C56-K60 WeakPolarHBondContact O-CA 3.37Å; C56-K60 PolarHBondContact O-N 3.06Å
61N93.4Very high94.9Very high75 Ų7557.3 Ų57.340%0.40130%0.301SS..  trans-80149.3170.9-68.366.3000110.9C56 C59 L93C56-N61 PolarHBondContact N-O 3.46Å; C56-N61 VanDerWaalsContact N-O 3.15Å; C59-N61 PolarHBondContact O-N 3.22Å; C59-N61 VanDerWaalsContact O-N 3.11Å; C59-N61 PolarHBondContact O-OD1 3.45Å; N61-L93 HydrophobicContact CB-CD1 3.45Å; N61-L93 VanDerWaalsContact CB-CD1 3.45Å
62H94.1Very high95Very high79 Ų7957 Ų5737%0.36630%0.296SS..EExtended strand (participates in β ladder)trans-73.8135.6173.5173-111.8000111.1N53 W55N53-H62 WeakPolarHBondContact CB-NE2 3.39Å; W55-H62 HydrophobicContact CE3-CB 4.01Å; W55-H62 HydrophobicContact CH2-CB 3.96Å; W55-H62 HydrophobicContact CZ2-CB 4.49Å; W55-H62 HydrophobicContact CZ3-CB 3.7Å
63I95.4Very high95.1Very high2 Ų258.6 Ų58.61%0.0130%0.304CS..EExtended strand (participates in β ladder)trans-114.6116.8168.3-59.3163.9000106.6M50 I54 C56 V67 Y69 I98M50-I63 HydrophobicContact CE-CG2 4.34Å; M50-I63 HydrophobicContact CG-CG2 3.91Å; I54-I63 HydrophobicContact CD1-CB 4.29Å; I54-I63 HydrophobicContact CD1-CD1 3.97Å; I54-I63 HydrophobicContact CG1-CB 3.71Å; I54-I63 HydrophobicContact CG1-CD1 4.11Å; I54-I63 HydrophobicContact CG1-CG1 4.38Å; I54-I63 HydrophobicContact CG1-CG2 4.33Å; I54-I63 PolarHBondContact N-O 3.45Å; I54-I63 PolarHBondContact O-N 3.42Å; C56-I63 HydrophobicContact CB-CD1 4.24Å; I63-V67 HydrophobicContact CG2-CB 3.97Å; I63-V67 HydrophobicContact CG2-CG1 4.27Å; I63-V67 HydrophobicContact CG2-CG2 4.12Å; I63-Y69 HydrophobicContact CG2-CE2 4Å; I63-Y69 WeakPolarHBondContact CG2-OH 3.47Å; I63-I98 HydrophobicContact CD1-CD1 3.6Å
64G95.1Very high95.2Very high18 Ų1862.4 Ų62.419%0.18632%0.319CS..  trans-71.2158179.100000113.2N53 V67N53-G64 WeakPolarHBondContact OD1-CA 3.26Å; G64-V67 WeakPolarHBondContact O-CG2 3.48Å; G64-V67 PolarHBondContact O-N 3.44Å
65M94.9Very high95.2Very high132 Ų13268 Ų6865%0.6534%0.343SS*.THydrogen-bonded Turntrans-54.1141.7166-175.7177.76800110.8N53 V67N53-M65 PolarHBondContact OD1-N 2.97Å; M65-V67 VanDerWaalsContact C-N 3.3Å; M65-V67 PolarHBondContact O-N 3.48Å
66G95.1Very high95.2Very high38 Ų3866.1 Ų66.139%0.39234%0.343SS..THydrogen-bonded Turntrans81.8-3.9178.200000115.6M50 R68M50-G66 PolarHBondContact O-N 3.49Å; G66-R68 PolarHBondContact O-N 2.9Å
67V95.1Very high95.1Very high55 Ų5567.5 Ų67.533%0.33336%0.357SS..  trans-63.6129.41751780000110.1M50 I63 G64 M65 Y69M50-V67 HydrophobicContact CG-CB 4.43Å; M50-V67 PolarHBondContact N-O 3.19Å; I63-V67 HydrophobicContact CG2-CB 3.97Å; I63-V67 HydrophobicContact CG2-CG1 4.27Å; I63-V67 HydrophobicContact CG2-CG2 4.12Å; G64-V67 WeakPolarHBondContact O-CG2 3.48Å; G64-V67 PolarHBondContact O-N 3.44Å; M65-V67 VanDerWaalsContact C-N 3.3Å; M65-V67 PolarHBondContact O-N 3.48Å; V67-Y69 HydrophobicContact CB-CE2 4.05Å; V67-Y69 HydrophobicContact CG1-CD2 4.23Å; V67-Y69 HydrophobicContact CG1-CE2 3.48Å; V67-Y69 VanDerWaalsContact CG1-CE2 3.48Å
68R96.6Very high95.2Very high175 Ų17568.7 Ų68.766%0.6636%0.364SS*.EExtended strand (participates in β ladder)trans-91.2128-174-72.7173.1175.3155.45.3112.3F48 E49 G66F48-R68 CarbonylContact O-C 3.53Å; F48-R68 WeakPolarHBondContact O-CA 2.85Å; E49-R68 HydrophobicContact CG-CG 3.61Å; E49-R68 IonicContact OE1-CZ 3.95Å; E49-R68 VanDerWaalsContact OE1-CZ 3.27Å; E49-R68 IonicContact OE1-NE 3.24Å; E49-R68 PolarHBondContact OE1-NE 3.46Å; E49-R68 IonicContact OE1-NH2 3.78Å; E49-R68 PolarHBondContact OE1-NH2 3.2Å; G66-R68 PolarHBondContact O-N 2.9Å
69Y96.3Very high95.3Very high19 Ų1970.7 Ų70.78%0.07536%0.357CS..EExtended strand (participates in β ladder)trans-122.8152.8174.5-68.6-83.8000112.2R47 F48 M50 I63 V67 A71 M89 K90 H92R47-Y69 WeakPolarHBondContact CA-O 3.39Å; F48-Y69 PolarHBondContact N-O 3.18Å; F48-Y69 PolarHBondContact O-N 3.33Å; M50-Y69 HydrophobicContact CE-CD2 3.8Å; M50-Y69 HydrophobicContact CE-CE2 3.5Å; M50-Y69 HydrophobicContact CG-CD2 3.99Å; M50-Y69 HydrophobicContact CG-CE2 3.73Å; M50-Y69 HydrophobicContact SD-CD2 4.43Å; M50-Y69 HydrophobicContact SD-CE2 4.37Å; I63-Y69 HydrophobicContact CG2-CE2 4Å; I63-Y69 WeakPolarHBondContact CG2-OH 3.47Å; V67-Y69 HydrophobicContact CB-CE2 4.05Å; V67-Y69 HydrophobicContact CG1-CD2 4.23Å; V67-Y69 HydrophobicContact CG1-CE2 3.48Å; V67-Y69 VanDerWaalsContact CG1-CE2 3.48Å; Y69-A71 PolarHBondContact O-N 3.07Å; Y69-M89 HydrophobicContact CD2-SD 3.77Å; Y69-M89 HydrophobicContact CG-CB 4.39Å; Y69-M89 HydrophobicContact CG-CG 4.25Å; Y69-M89 HydrophobicContact CG-SD 3.83Å; Y69-K90 VanDerWaalsContact CD1-O 3.28Å; Y69-K90 WeakPolarHBondContact CD1-O 3.45Å; Y69-K90 VanDerWaalsContact CE1-O 3.25Å; Y69-K90 WeakPolarHBondContact CE1-O 3.38Å; Y69-H92 HydrophobicContact CE1-CB 4.27Å; Y69-H92 PolarHBondContact OH-ND1 3.45Å
70N95.3Very high95.4Very high111 Ų11178.2 Ų78.259%0.59438%0.382SS*.EExtended strand (participates in β ladder)trans-81.9104.4159.7-65.1-39.9000107.2I45 I46I45-N70 HydrophobicContact CG2-CB 4.36Å; I46-N70 CarbonylContact O-C 3.2Å; I46-N70 WeakPolarHBondContact O-CA 3.26Å
71A96.5Very high95.5Very high0 Ų077.3 Ų77.30%039%0.389CS..EExtended strand (participates in β ladder)trans-105.5144.1-17700000111.4I45 I46 F48 Y69 F87 R88 M89I45-A71 CarbonylContact C-O 3.51Å; I45-A71 WeakPolarHBondContact CA-O 3.49Å; I46-A71 HydrophobicContact CG1-CB 4.35Å; I46-A71 PolarHBondContact N-O 3.36Å; I46-A71 PolarHBondContact O-N 3.25Å; F48-A71 HydrophobicContact CB-CB 3.62Å; F48-A71 HydrophobicContact CG-CB 4.34Å; Y69-A71 PolarHBondContact O-N 3.07Å; A71-F87 HydrophobicContact CB-CB 4.35Å; A71-R88 CarbonylContact C-O 3.51Å; A71-R88 WeakPolarHBondContact CA-O 3.42Å; A71-M89 HydrophobicContact CB-CB 4.08Å; A71-M89 HydrophobicContact CB-CE 4.23Å
72E96Very high95.7Very high32 Ų3276.9 Ų76.915%0.1539%0.389CS..EExtended strand (participates in β ladder)trans-86.5107.5170.6-68.7-179.3166.900108.7K38 I43 F87 R88K38-E72 IonicContact NZ-OE1 3.01Å; K38-E72 PolarHBondContact NZ-OE1 3.14Å; I43-E72 HydrophobicContact CG2-CB 3.63Å; I43-E72 HydrophobicContact CG2-CG 3.97Å; E72-F87 WeakPolarHBondContact O-CA 3.37Å; E72-R88 HydrophobicContact CB-CB 4.33Å; E72-R88 PolarHBondContact N-O 3.39Å; E72-R88 PolarHBondContact O-N 3.3Å; E72-R88 IonicContact OE2-CZ 3.5Å; E72-R88 VanDerWaalsContact OE2-CZ 3.24Å; E72-R88 IonicContact OE2-NE 3.06Å; E72-R88 PolarHBondContact OE2-NE 2.81Å; E72-R88 IonicContact OE2-NH2 2.64Å; E72-R88 PolarHBondContact OE2-NH2 3.41Å
73K96.5Very high95.8Very high58 Ų5874.8 Ų74.825%0.25238%0.382SS..EExtended strand (participates in β ladder)trans-84.4119.1174.8179-179.4-177.9176.50109.4I43 L44 I46 Y85 F87I43-K73 WeakPolarHBondContact CA-O 3.5Å; L44-K73 PolarHBondContact N-O 3.23Å; L44-K73 WeakPolarHBondContact O-CB 3.34Å; L44-K73 PolarHBondContact O-N 3.49Å; I46-K73 HydrophobicContact CD1-CB 4.23Å; I46-K73 HydrophobicContact CD1-CD 4.34Å; I46-K73 HydrophobicContact CG1-CB 4.21Å; I46-K73 HydrophobicContact CG2-CB 4.39Å; K73-Y85 HydrophobicContact CD-CD1 4.26Å; K73-Y85 HydrophobicContact CG-CD1 4.05Å; K73-Y85 HydrophobicContact CG-CG 4.39Å; K73-F87 HydrophobicContact CB-CD1 3.95Å; K73-F87 HydrophobicContact CB-CE1 3.84Å; K73-F87 HydrophobicContact CD-CE1 3.92Å; K73-F87 HydrophobicContact CG-CD1 4.15Å; K73-F87 HydrophobicContact CG-CE1 3.6Å; K73-F87 HydrophobicContact CG-CZ 4.42Å
74K96.1Very high95.9Very high111 Ų11175.9 Ų75.948%0.48339%0.388SS..EExtended strand (participates in β ladder)trans-121.4138.3173.8-176.3178.8177.9-177.30109.7I43 V76 Y85 R86I43-K74 HydrophobicContact CG1-CB 4.48Å; K74-V76 HydrophobicContact CG-CG2 4.4Å; K74-Y85 WeakPolarHBondContact O-CA 3.4Å; K74-R86 PolarHBondContact N-O 3.44Å; K74-R86 PolarHBondContact O-N 3.45Å
75K95.9Very high96Very high117 Ų11778.2 Ų78.251%0.50939%0.392SS..EExtended strand (participates in β ladder)trans-81.8124.4168.2-176.1178.7175.3174.90108.8N78 P83 Y85K75-N78 WeakPolarHBondContact CE-OD1 3.27Å; K75-N78 PolarHBondContact NZ-OD1 3.45Å; K75-N78 VanDerWaalsContact NZ-OD1 3.08Å; K75-P83 HydrophobicContact CD-CB 4.15Å; K75-P83 HydrophobicContact CG-CB 4.35Å; K75-Y85 HydrophobicContact CB-CD1 4.22Å; K75-Y85 HydrophobicContact CB-CE1 4.14Å; K75-Y85 HydrophobicContact CG-CE1 4.42Å
76V94.9Very high96.1Very high68 Ų6875.2 Ų75.241%0.41237%0.373SS..EExtended strand (participates in β ladder)trans-110.5-37.2-175.7178.60000112.3K74 I84 R86K74-V76 HydrophobicContact CG-CG2 4.4Å; V76-I84 PolarHBondContact N-O 3.33Å; V76-R86 HydrophobicContact CG2-CB 3.46Å; V76-R86 VanDerWaalsContact CG2-CB 3.46Å; V76-R86 HydrophobicContact CG2-CG 4.48Å
77G95.1Very high96.2Very high29 Ų2973.9 Ų73.930%0.29936%0.356SS..EExtended strand (participates in β ladder)trans-160.2-167.7-18000000111.5I84G77-I84 PolarHBondContact O-N 2.7Å
78N96.6Very high96.3Very high89 Ų8975.9 Ų75.948%0.47636%0.358SS..EExtended strand (participates in β ladder)trans-132.2142.8171.6-57.5-33.6000109.3K75 T82K75-N78 WeakPolarHBondContact CE-OD1 3.27Å; K75-N78 PolarHBondContact NZ-OD1 3.45Å; K75-N78 VanDerWaalsContact NZ-OD1 3.08Å; N78-T82 CarbonylContact C-O 3.6Å; N78-T82 VanDerWaalsContact CA-O 3.27Å; N78-T82 WeakPolarHBondContact CA-O 3.38Å
79Y95.9Very high96.2Very high90 Ų9067.7 Ų67.735%0.35333%0.327SS..EExtended strand (participates in β ladder)trans-99.9104.1163.7-177.8-105.5000107.6T81 T82 P104 A105Y79-T81 PolarHBondContact O-N 2.91Å; Y79-T82 PolarHBondContact N-O 3.5Å; Y79-T82 PolarHBondContact O-N 3.44Å; Y79-P104 HydrophobicContact CD1-CB 3.8Å; Y79-P104 HydrophobicContact CD1-CG 4.37Å; Y79-P104 HydrophobicContact CE1-CB 4.49Å; Y79-P104 HydrophobicContact CG-CB 4.27Å; Y79-P104 HydrophobicContact CG-CG 4.38Å; Y79-A105 HydrophobicContact CE1-CB 4.34Å; Y79-A105 HydrophobicContact CE2-CB 4.2Å
80Y95.4Very high96.2Very high194 Ų19471.6 Ų71.676%0.76135%0.345SS*.THydrogen-bonded Turntrans51.2-108.9-164.1-54.6-72.6000111.4
81T95.8Very high96.2Very high132 Ų13266.6 Ų66.681%0.8132%0.318SS*.THydrogen-bonded Turntrans-93.6-16.4177.753.40000113.4Y79Y79-T81 PolarHBondContact O-N 2.91Å
82T96.3Very high95.9Very high66 Ų6672 Ų7241%0.40534%0.344SS..EExtended strand (participates in β ladder)trans-85.9124.9-174.4-59.80000111.1N78 Y79 P104N78-T82 CarbonylContact C-O 3.6Å; N78-T82 VanDerWaalsContact CA-O 3.27Å; N78-T82 WeakPolarHBondContact CA-O 3.38Å; Y79-T82 PolarHBondContact N-O 3.5Å; Y79-T82 PolarHBondContact O-N 3.44Å; T82-P104 HydrophobicContact CG2-CB 4.22Å; T82-P104 HydrophobicContact CG2-CG 3.94Å
83P96.3Very high95.7Very high34 Ų3475.1 Ų75.122%0.22136%0.36CS..EExtended strand (participates in β ladder)trans-71.7134.6179.729-34.7000112.1K75 Y85K75-P83 HydrophobicContact CD-CB 4.15Å; K75-P83 HydrophobicContact CG-CB 4.35Å; P83-Y85 HydrophobicContact CB-CE1 4.34Å; P83-Y85 HydrophobicContact CB-CE2 4.19Å; P83-Y85 HydrophobicContact CG-CE2 3.77Å; P83-Y85 WeakPolarHBondContact CG-OH 3.48Å
84I97.4Very high95.6Very high25 Ų2573.6 Ų73.613%0.12836%0.357CS..EExtended strand (participates in β ladder)trans-88.8121.9172-63.8170.3000108.8V76 G77 Q101 T102 P104V76-I84 PolarHBondContact N-O 3.33Å; G77-I84 PolarHBondContact O-N 2.7Å; I84-Q101 HydrophobicContact CG2-CG 3.49Å; I84-Q101 VanDerWaalsContact CG2-CG 3.49Å; I84-T102 WeakPolarHBondContact CG2-O 3.47Å; I84-P104 HydrophobicContact CG1-CG 4.47Å
85Y97.3Very high95.5Very high68 Ų6873.5 Ų73.527%0.26737%0.366SS..EExtended strand (participates in β ladder)trans-102.8140.5177.3-62.3-67.1000111.1K73 K74 K75 P83 Q101 T102K73-Y85 HydrophobicContact CD-CD1 4.26Å; K73-Y85 HydrophobicContact CG-CD1 4.05Å; K73-Y85 HydrophobicContact CG-CG 4.39Å; K74-Y85 WeakPolarHBondContact O-CA 3.4Å; K75-Y85 HydrophobicContact CB-CD1 4.22Å; K75-Y85 HydrophobicContact CB-CE1 4.14Å; K75-Y85 HydrophobicContact CG-CE1 4.42Å; P83-Y85 HydrophobicContact CB-CE1 4.34Å; P83-Y85 HydrophobicContact CB-CE2 4.19Å; P83-Y85 HydrophobicContact CG-CE2 3.77Å; P83-Y85 WeakPolarHBondContact CG-OH 3.48Å; Y85-Q101 WeakPolarHBondContact O-CA 3.37Å; Y85-T102 PolarHBondContact N-OG1 3.44Å; Y85-T102 PolarHBondContact O-N 2.83Å; Y85-T102 PolarHBondContact O-OG1 3.16Å
86R97.4Very high95.5Very high69 Ų6970.4 Ų70.426%0.2636%0.355SS..EExtended strand (participates in β ladder)trans-110.6131.1168.2-170.5173.4-65.4-178.90.9109.3K74 V76 E99 M100K74-R86 PolarHBondContact N-O 3.44Å; K74-R86 PolarHBondContact O-N 3.45Å; V76-R86 HydrophobicContact CG2-CB 3.46Å; V76-R86 VanDerWaalsContact CG2-CB 3.46Å; V76-R86 HydrophobicContact CG2-CG 4.48Å; R86-E99 IonicContact NH1-OE2 2.73Å; R86-M100 CarbonylContact C-O 3.45Å; R86-M100 VanDerWaalsContact CA-O 3.3Å; R86-M100 WeakPolarHBondContact CA-O 3.32Å
87F97.5Very high95.5Very high9 Ų972.7 Ų72.74%0.03936%0.357CS..EExtended strand (participates in β ladder)trans-110.7117.9178.6-56.4-76.8000108.7I46 F48 A71 E72 K73 M89 E99 M100 T102 Y109I46-F87 HydrophobicContact CD1-CD1 3.8Å; I46-F87 HydrophobicContact CD1-CE1 3.45Å; I46-F87 VanDerWaalsContact CD1-CE1 3.45Å; I46-F87 HydrophobicContact CG1-CD1 4.44Å; I46-F87 HydrophobicContact CG1-CE1 4.48Å; F48-F87 HydrophobicContact CD2-CD1 4.03Å; F48-F87 HydrophobicContact CD2-CD2 4.28Å; F48-F87 HydrophobicContact CD2-CE1 4.23Å; F48-F87 HydrophobicContact CD2-CE2 4.47Å; F48-F87 HydrophobicContact CD2-CG 4.05Å; F48-F87 HydrophobicContact CD2-CZ 4.44Å; F48-F87 HydrophobicContact CE2-CD1 4.3Å; F48-F87 AromaticContact CE2-CD2 3.74Å; F48-F87 HydrophobicContact CE2-CD2 3.74Å; F48-F87 HydrophobicContact CE2-CE1 4.41Å; F48-F87 AromaticContact CE2-CE2 3.86Å; F48-F87 HydrophobicContact CE2-CE2 3.86Å; F48-F87 AromaticContact CE2-CG 3.97Å; F48-F87 HydrophobicContact CE2-CG 3.97Å; F48-F87 HydrophobicContact CE2-CZ 4.19Å; F48-F87 HydrophobicContact CZ-CD2 4.15Å; F48-F87 HydrophobicContact CZ-CG 4.47Å; A71-F87 HydrophobicContact CB-CB 4.35Å; E72-F87 WeakPolarHBondContact O-CA 3.37Å; K73-F87 HydrophobicContact CB-CD1 3.95Å; K73-F87 HydrophobicContact CB-CE1 3.84Å; K73-F87 HydrophobicContact CD-CE1 3.92Å; K73-F87 HydrophobicContact CG-CD1 4.15Å; K73-F87 HydrophobicContact CG-CE1 3.6Å; K73-F87 HydrophobicContact CG-CZ 4.42Å; F87-M89 HydrophobicContact CB-CE 3.96Å; F87-E99 WeakPolarHBondContact O-CA 3.3Å; F87-M100 PolarHBondContact N-O 3.5Å; F87-M100 PolarHBondContact O-N 2.98Å; F87-T102 HydrophobicContact CE2-CG2 3.73Å; F87-T102 HydrophobicContact CZ-CG2 4.39Å; F87-Y109 HydrophobicContact CD2-CE1 4.3Å; F87-Y109 HydrophobicContact CE2-CD1 4.42Å; F87-Y109 AromaticContact CE2-CE1 3.79Å; F87-Y109 HydrophobicContact CE2-CE1 3.79Å
88R96.8Very high95.6Very high97 Ų9771.3 Ų71.337%0.36634%0.342SS..EExtended strand (participates in β ladder)trans-106.1125.9174.3-174.1173.973.1174.67.4109.7A71 E72 Y97 I98 E99A71-R88 CarbonylContact C-O 3.51Å; A71-R88 WeakPolarHBondContact CA-O 3.42Å; E72-R88 HydrophobicContact CB-CB 4.33Å; E72-R88 PolarHBondContact N-O 3.39Å; E72-R88 PolarHBondContact O-N 3.3Å; E72-R88 IonicContact OE2-CZ 3.5Å; E72-R88 VanDerWaalsContact OE2-CZ 3.24Å; E72-R88 IonicContact OE2-NE 3.06Å; E72-R88 PolarHBondContact OE2-NE 2.81Å; E72-R88 IonicContact OE2-NH2 2.64Å; E72-R88 PolarHBondContact OE2-NH2 3.41Å; R88-Y97 HydrophobicContact CG-CD1 3.91Å; R88-Y97 HydrophobicContact CG-CG 4.46Å; R88-I98 WeakPolarHBondContact CA-O 3.38Å; R88-E99 HydrophobicContact CB-CG 4.36Å; R88-E99 HydrophobicContact CG-CG 4.11Å
89M95.6Very high95.6Very high3 Ų369 Ų692%0.01533%0.329CS..EExtended strand (participates in β ladder)trans-140.9154.318066.3-16088.900111.4F48 M50 Y69 A71 F87 Y97 I98 M100F48-M89 HydrophobicContact CD1-CE 3.49Å; F48-M89 VanDerWaalsContact CD1-CE 3.49Å; F48-M89 HydrophobicContact CD1-SD 4.03Å; F48-M89 HydrophobicContact CE1-CE 3.76Å; F48-M89 HydrophobicContact CG-CE 4.3Å; M50-M89 HydrophobicContact CE-CE 4.46Å; M50-M89 HydrophobicContact CE-CG 4.28Å; M50-M89 HydrophobicContact CE-SD 3.42Å; M50-M89 WeakPolarHBondContact CE-SD 3.36Å; M50-M89 HydrophobicContact SD-SD 4Å; Y69-M89 HydrophobicContact CD2-SD 3.77Å; Y69-M89 HydrophobicContact CG-CB 4.39Å; Y69-M89 HydrophobicContact CG-CG 4.25Å; Y69-M89 HydrophobicContact CG-SD 3.83Å; A71-M89 HydrophobicContact CB-CB 4.08Å; A71-M89 HydrophobicContact CB-CE 4.23Å; F87-M89 HydrophobicContact CB-CE 3.96Å; M89-Y97 CarbonylContact O-C 3.54Å; M89-Y97 WeakPolarHBondContact O-CA 3.22Å; M89-I98 HydrophobicContact CG-CB 4.27Å; M89-I98 PolarHBondContact N-O 3.27Å; M89-I98 PolarHBondContact O-N 2.91Å; M89-M100 HydrophobicContact CE-CG 4.49Å; M89-M100 HydrophobicContact CE-SD 4.33Å
90K95.7Very high95.6Very high102 Ų10264.8 Ų64.844%0.44331%0.312SS..EExtended strand (participates in β ladder)trans-89.6139.8177.9-167.6-173.1178.9-174.50109.8Y69 C94 Y97Y69-K90 VanDerWaalsContact CD1-O 3.28Å; Y69-K90 WeakPolarHBondContact CD1-O 3.45Å; Y69-K90 VanDerWaalsContact CE1-O 3.25Å; Y69-K90 WeakPolarHBondContact CE1-O 3.38Å; K90-C94 WeakPolarHBondContact CE-O 3.49Å; K90-Y97 HydrophobicContact CB-CD1 4.39Å; K90-Y97 HydrophobicContact CB-CE1 4.17Å
91C95.1Very high95.7Very high5 Ų557.8 Ų57.83%0.03429%0.286CS..  trans-60147.6168.8-174.20000110.8C94 N96C91-C94 WeakPolarHBondContact CB-SG 3.32Å; C91-C94 VanDerWaalsContact SG-SG 3.64Å; C91-N96 PolarHBondContact N-O 2.8Å
92H90Very high95.8Very high115 Ų11552.5 Ų52.553%0.53225%0.254SS..SBendtrans-73-28.717863.5-75.3000112.7Y69Y69-H92 HydrophobicContact CE1-CB 4.27Å; Y69-H92 PolarHBondContact OH-ND1 3.45Å
93L91.8Very high95.7Very high96 Ų9651.8 Ų51.850%0.50325%0.247SC..SBendtrans-95.1-25.3-177.7-70.9149.8000113.7N61N61-L93 HydrophobicContact CB-CD1 3.45Å; N61-L93 VanDerWaalsContact CB-CD1 3.45Å
94C93.8Very high95.7Very high27 Ų2752.1 Ų52.118%0.18225%0.25CC..SBendtrans-136.9174.2-173.669.40000113.1C59 K90 C91 N96C59-C94 HydrophobicContact CB-CB 4.05Å; K90-C94 WeakPolarHBondContact CE-O 3.49Å; C91-C94 WeakPolarHBondContact CB-SG 3.32Å; C91-C94 VanDerWaalsContact SG-SG 3.64Å; C94-N96 PolarHBondContact O-N 3.03Å; C94-N96 WeakPolarHBondContact SG-CB 3.4Å
95V94.3Very high95.6Very high109 Ų10953.7 Ų53.766%0.66127%0.266SS*.SBendtrans-82.5-3.2179.6-167.30000112.6
96N95.6Very high95.3Very high52 Ų5254.6 Ų54.628%0.27828%0.279SS..  trans-65.8141.8-179-166.337.9000112.2C91 C94 G114C91-N96 PolarHBondContact N-O 2.8Å; C94-N96 PolarHBondContact O-N 3.03Å; C94-N96 WeakPolarHBondContact SG-CB 3.4Å; N96-G114 PolarHBondContact ND2-O 3.34Å
97Y95.7Very high95.1Very high116 Ų11656.7 Ų56.746%0.45530%0.303SS..EExtended strand (participates in β ladder)trans-99.1136.5174.3-73.4-87000110.1R88 M89 K90 G114R88-Y97 HydrophobicContact CG-CD1 3.91Å; R88-Y97 HydrophobicContact CG-CG 4.46Å; M89-Y97 CarbonylContact O-C 3.54Å; M89-Y97 WeakPolarHBondContact O-CA 3.22Å; K90-Y97 HydrophobicContact CB-CD1 4.39Å; K90-Y97 HydrophobicContact CB-CE1 4.17Å; Y97-G114 WeakPolarHBondContact O-CA 3.43Å
98I96.4Very high94.9Very high0 Ų058.9 Ų58.90%032%0.315CS..EExtended strand (participates in β ladder)trans-107.9128.3175.9-55.7171000107.1M50 I54 I63 R88 M89 M100 A115M50-I98 HydrophobicContact CE-CD1 4.15Å; I54-I98 HydrophobicContact CD1-CD1 4.02Å; I54-I98 HydrophobicContact CD1-CG2 4.35Å; I63-I98 HydrophobicContact CD1-CD1 3.6Å; R88-I98 WeakPolarHBondContact CA-O 3.38Å; M89-I98 HydrophobicContact CG-CB 4.27Å; M89-I98 PolarHBondContact N-O 3.27Å; M89-I98 PolarHBondContact O-N 2.91Å; I98-M100 HydrophobicContact CG2-CE 4.29Å; I98-M100 HydrophobicContact CG2-CG 4.39Å; I98-A115 HydrophobicContact CD1-CB 4.37Å; I98-A115 HydrophobicContact CG1-CB 4.31Å; I98-A115 HydrophobicContact CG2-CB 3.82Å
99E96.8Very high94.8Very high41 Ų4158.1 Ų58.119%0.19231%0.313CS..EExtended strand (participates in β ladder)trans-113.2119.7176.1-61.6-167.3164.300110.8R86 F87 R88 V112 S113R86-E99 IonicContact NH1-OE2 2.73Å; F87-E99 WeakPolarHBondContact O-CA 3.3Å; R88-E99 HydrophobicContact CB-CG 4.36Å; R88-E99 HydrophobicContact CG-CG 4.11Å; E99-V112 HydrophobicContact CB-CB 4.24Å; E99-V112 PolarHBondContact O-N 3.41Å; E99-S113 WeakPolarHBondContact CB-OG 3.38Å; E99-S113 WeakPolarHBondContact CG-OG 3.31Å; E99-S113 PolarHBondContact N-O 2.91Å; E99-S113 PolarHBondContact O-N 3.28Å
100M96.5Very high94.8Very high0 Ų061.4 Ų61.40%033%0.333CS..EExtended strand (participates in β ladder)trans-114.5143.7174.8-66.2-173.8170.300110.3F48 M50 P51 I54 R86 F87 M89 I98 I111F48-M100 HydrophobicContact CE1-SD 3.91Å; F48-M100 HydrophobicContact CZ-SD 4.39Å; M50-M100 HydrophobicContact CE-CE 4.01Å; M50-M100 HydrophobicContact SD-CE 3.37Å; M50-M100 WeakPolarHBondContact SD-CE 3.42Å; M50-M100 HydrophobicContact SD-SD 3.84Å; P51-M100 HydrophobicContact CG-SD 4.27Å; I54-M100 HydrophobicContact CD1-CE 3.69Å; I54-M100 HydrophobicContact CG2-CE 4.06Å; R86-M100 CarbonylContact C-O 3.45Å; R86-M100 VanDerWaalsContact CA-O 3.3Å; R86-M100 WeakPolarHBondContact CA-O 3.32Å; F87-M100 PolarHBondContact N-O 3.5Å; F87-M100 PolarHBondContact O-N 2.98Å; M89-M100 HydrophobicContact CE-CG 4.49Å; M89-M100 HydrophobicContact CE-SD 4.33Å; I98-M100 HydrophobicContact CG2-CE 4.29Å; I98-M100 HydrophobicContact CG2-CG 4.39Å; M100-I111 HydrophobicContact CE-CG1 4.33Å
101Q97.3Very high94.8Very high48 Ų4858.2 Ų58.222%0.22432%0.321CS..EExtended strand (participates in β ladder)trans-124.2139.8179.1-177.4168.6-41.800110.1I84 Y85 Y109 V110 V112I84-Q101 HydrophobicContact CG2-CG 3.49Å; I84-Q101 VanDerWaalsContact CG2-CG 3.49Å; Y85-Q101 WeakPolarHBondContact O-CA 3.37Å; Q101-Y109 CarbonylContact O-C 3.45Å; Q101-Y109 WeakPolarHBondContact O-CA 3.24Å; Q101-V110 PolarHBondContact N-O 3.18Å; Q101-V110 PolarHBondContact O-N 3.24Å; Q101-V112 HydrophobicContact CB-CG2 3.61Å
102T97.4Very high94.8Very high21 Ų2161 Ų6113%0.12934%0.337CS..EExtended strand (participates in β ladder)trans-73.6135.5172.254.30000110.5I84 Y85 F87 Y109I84-T102 WeakPolarHBondContact CG2-O 3.47Å; Y85-T102 PolarHBondContact N-OG1 3.44Å; Y85-T102 PolarHBondContact O-N 2.83Å; Y85-T102 PolarHBondContact O-OG1 3.16Å; F87-T102 HydrophobicContact CE2-CG2 3.73Å; F87-T102 HydrophobicContact CZ-CG2 4.39Å; T102-Y109 HydrophobicContact CG2-CD1 4.03Å; T102-Y109 HydrophobicContact CG2-CE1 3.56Å
103D96.1Very high95.1Very high50 Ų5057.9 Ų57.927%0.26733%0.328SS..EExtended strand (participates in β ladder)trans-116.4102168.9-169.8-5.3000110.9A105 C107 D108 V110D103-A105 PolarHBondContact O-N 3Å; D103-A105 WeakPolarHBondContact OD1-CB 3.3Å; D103-A105 PolarHBondContact OD1-N 3.31Å; D103-C107 WeakPolarHBondContact O-CA 3.32Å; D103-C107 PolarHBondContact O-N 3.45Å; D103-C107 VanDerWaalsContact O-N 3.09Å; D103-D108 PolarHBondContact N-O 3.34Å; D103-D108 PolarHBondContact O-N 2.88Å; D103-V110 HydrophobicContact CB-CG2 3.99Å
104P95.9Very high95.2Very high41 Ų4153.9 Ų53.927%0.26631%0.31SS..THydrogen-bonded Turntrans-66.6-18.2178.8-22.135.5000114.6Y79 T82 I84Y79-P104 HydrophobicContact CD1-CB 3.8Å; Y79-P104 HydrophobicContact CD1-CG 4.37Å; Y79-P104 HydrophobicContact CE1-CB 4.49Å; Y79-P104 HydrophobicContact CG-CB 4.27Å; Y79-P104 HydrophobicContact CG-CG 4.38Å; T82-P104 HydrophobicContact CG2-CB 4.22Å; T82-P104 HydrophobicContact CG2-CG 3.94Å; I84-P104 HydrophobicContact CG1-CG 4.47Å
105A94.7Very high95.3Very high58 Ų5853 Ų5348%0.47931%0.305SS..THydrogen-bonded Turntrans-73.8-42.6-179.100000111.9Y79 D103Y79-A105 HydrophobicContact CE1-CB 4.34Å; Y79-A105 HydrophobicContact CE2-CB 4.2Å; D103-A105 PolarHBondContact O-N 3Å; D103-A105 WeakPolarHBondContact OD1-CB 3.3Å; D103-A105 PolarHBondContact OD1-N 3.31Å
106T91.2Very high95.3Very high87 Ų8755.1 Ų55.153%0.53430%0.301SS..THydrogen-bonded Turntrans-96.6-3.4179.9-48.90000112.7D108T106-D108 HydrophobicContact CG2-CB 4.09Å; T106-D108 PolarHBondContact O-N 3.43Å
107C92.6Very high95.2Very high114 Ų11457.3 Ų57.377%0.7731%0.305SS*.THydrogen-bonded Turntrans57.828.9-171.6-63.70000113.4D103D103-C107 WeakPolarHBondContact O-CA 3.32Å; D103-C107 PolarHBondContact O-N 3.45Å; D103-C107 VanDerWaalsContact O-N 3.09Å
108D93.3Very high95Very high55 Ų5555.2 Ų55.229%0.29430%0.299SS..EExtended strand (participates in β ladder)trans-122.9172.8-171.4-95-11.7000111.9D103 T106 R117D103-D108 PolarHBondContact N-O 3.34Å; D103-D108 PolarHBondContact O-N 2.88Å; T106-D108 HydrophobicContact CG2-CB 4.09Å; T106-D108 PolarHBondContact O-N 3.43Å; D108-R117 IonicContact OD2-NH1 3.52Å
109Y95.1Very high94.3Very high80 Ų8061.7 Ų61.731%0.31433%0.329SS..EExtended strand (participates in β ladder)trans-106.5134.7169.2-66.2-94.7000109.8F48 P51 Y52 F87 Q101 T102F48-Y109 AromaticContact CE2-CE1 3.92Å; F48-Y109 HydrophobicContact CE2-CE1 3.92Å; F48-Y109 HydrophobicContact CZ-CD1 4.19Å; F48-Y109 AromaticContact CZ-CE1 3.94Å; F48-Y109 HydrophobicContact CZ-CE1 3.94Å; P51-Y109 HydrophobicContact CB-CD2 3.75Å; P51-Y109 HydrophobicContact CB-CE2 4.25Å; P51-Y109 HydrophobicContact CB-CG 4.43Å; P51-Y109 HydrophobicContact CG-CD2 3.83Å; P51-Y109 HydrophobicContact CG-CG 4Å; Y52-Y109 WeakPolarHBondContact CE1-O 3.37Å; Y52-Y109 PolarHBondContact OH-O 2.92Å; F87-Y109 HydrophobicContact CD2-CE1 4.3Å; F87-Y109 HydrophobicContact CE2-CD1 4.42Å; F87-Y109 AromaticContact CE2-CE1 3.79Å; F87-Y109 HydrophobicContact CE2-CE1 3.79Å; Q101-Y109 CarbonylContact O-C 3.45Å; Q101-Y109 WeakPolarHBondContact O-CA 3.24Å; T102-Y109 HydrophobicContact CG2-CD1 4.03Å; T102-Y109 HydrophobicContact CG2-CE1 3.56Å
110V95.2Very high93.2Very high73 Ų7364.4 Ų64.444%0.44234%0.342SS..EExtended strand (participates in β ladder)trans-106131.6176.5179.80000109.2Q101 D103 V112Q101-V110 PolarHBondContact N-O 3.18Å; Q101-V110 PolarHBondContact O-N 3.24Å; D103-V110 HydrophobicContact CB-CG2 3.99Å; V110-V112 PolarHBondContact O-N 2.89Å
111I95.6Very high92Very high34 Ų3472.9 Ų72.917%0.17437%0.374CS..EExtended strand (participates in β ladder)trans-77.7121.7172.3-57.3161.8000108.2Y52 I54 M100 A115 R117Y52-I111 HydrophobicContact CE2-CD1 3.95Å; Y52-I111 HydrophobicContact CE2-CG1 4.2Å; Y52-I111 WeakPolarHBondContact OH-CG1 3.35Å; I54-I111 HydrophobicContact CG2-CD1 3.92Å; M100-I111 HydrophobicContact CE-CG1 4.33Å; I111-A115 HydrophobicContact CD1-CB 4.37Å; I111-A115 HydrophobicContact CG2-CB 4.25Å; I111-A115 WeakPolarHBondContact CG2-O 3.28Å; I111-R117 HydrophobicContact CD1-CB 3.98Å; I111-R117 VanDerWaalsContact CD1-N 3.29Å
112V95.9Very high90.5Very high64 Ų6480.3 Ų80.339%0.38840%0.4SS..EExtended strand (participates in β ladder)trans-87.9-43.2176.1-179.20000110.1E99 Q101 V110E99-V112 HydrophobicContact CB-CB 4.24Å; E99-V112 PolarHBondContact O-N 3.41Å; Q101-V112 HydrophobicContact CB-CG2 3.61Å; V110-V112 PolarHBondContact O-N 2.89Å
113S96.2Very high88.7Confident49 Ų4982.7 Ų82.734%0.34341%0.412SS..EExtended strand (participates in β ladder)trans-158.4157.6-179.3650000113.5E99 A115E99-S113 WeakPolarHBondContact CB-OG 3.38Å; E99-S113 WeakPolarHBondContact CG-OG 3.31Å; E99-S113 PolarHBondContact N-O 2.91Å; E99-S113 PolarHBondContact O-N 3.28Å; S113-A115 VanDerWaalsContact C-N 3.34Å; S113-A115 PolarHBondContact O-N 3.2Å
114G93.4Very high86.9Confident12 Ų1284.8 Ų84.812%0.12442%0.421CS..SBendtrans84.4-0.7166.500000116.1D57 N96 Y97D57-G114 PolarHBondContact N-O 2.85Å; N96-G114 PolarHBondContact ND2-O 3.34Å; Y97-G114 WeakPolarHBondContact O-CA 3.43Å
115A95.4Very high85.4Confident8 Ų886.6 Ų86.67%0.06644%0.44CS..EExtended strand (participates in β ladder)trans-154164.3172.800000111.3I54 W55 D57 I98 I111 S113I54-A115 HydrophobicContact CB-CB 4.32Å; I54-A115 HydrophobicContact CD1-CB 3.87Å; I54-A115 HydrophobicContact CG1-CB 4.43Å; W55-A115 CarbonylContact O-C 3.58Å; W55-A115 WeakPolarHBondContact O-CA 3.14Å; W55-A115 WeakPolarHBondContact O-CB 3.3Å; D57-A115 PolarHBondContact OD2-N 3.37Å; I98-A115 HydrophobicContact CD1-CB 4.37Å; I98-A115 HydrophobicContact CG1-CB 4.31Å; I98-A115 HydrophobicContact CG2-CB 3.82Å; I111-A115 HydrophobicContact CD1-CB 4.37Å; I111-A115 HydrophobicContact CG2-CB 4.25Å; I111-A115 WeakPolarHBondContact CG2-O 3.28Å; S113-A115 VanDerWaalsContact C-N 3.34Å; S113-A115 PolarHBondContact O-N 3.2Å
116R94.6Very high83.7Confident155 Ų15591.2 Ų91.259%0.58545%0.451SS*.EExtended strand (participates in β ladder)trans-119.9141.6168.2-74.4179.9-75.8-158.71.8110.2I54 W55 D57I54-R116 CarbonylContact C-O 3.6Å; I54-R116 VanDerWaalsContact CA-O 3.28Å; I54-R116 WeakPolarHBondContact CA-O 3.45Å; I54-R116 WeakPolarHBondContact CB-O 3.47Å; W55-R116 PolarHBondContact N-O 3.01Å; W55-R116 PolarHBondContact O-N 3.4Å; D57-R116 IonicContact OD1-CZ 3.88Å; D57-R116 IonicContact OD1-NE 2.9Å; D57-R116 PolarHBondContact OD1-NE 3.46Å; D57-R116 IonicContact OD1-NH2 3.84Å; D57-R116 PolarHBondContact OD1-NH2 2.89Å
117R93.4Very high82.3Confident97 Ų9791.4 Ų91.437%0.36645%0.449SS..EExtended strand (participates in β ladder)trans-67.4138175.3-175.4168.7-174.3166.72108.5Y52 D108 I111 E119Y52-R117 HydrophobicContact CD2-CB 4.38Å; Y52-R117 HydrophobicContact CD2-CG 3.66Å; Y52-R117 HydrophobicContact CE2-CB 3.97Å; Y52-R117 HydrophobicContact CE2-CG 3.64Å; Y52-R117 HydrophobicContact CG-CG 4.4Å; D108-R117 IonicContact OD2-NH1 3.52Å; I111-R117 HydrophobicContact CD1-CB 3.98Å; I111-R117 VanDerWaalsContact CD1-N 3.29Å; R117-E119 PolarHBondContact O-N 3.48Å
118K91.9Very high80.6Confident73 Ų7395 Ų9532%0.31745%0.454SS..  trans-76.6111164.4-170.6-174.7177.8-164.90106.5N53 E120N53-K118 HydrophobicContact CB-CB 3.86Å; N53-K118 HydrophobicContact CB-CD 4.02Å; N53-K118 WeakPolarHBondContact O-CB 3.37Å; N53-K118 PolarHBondContact O-N 3.25Å; K118-E120 HydrophobicContact CD-CG 4Å; K118-E120 WeakPolarHBondContact CD-OE1 3.33Å; K118-E120 WeakPolarHBondContact CE-OE1 3.32Å; K118-E120 HydrophobicContact CG-CG 4.04Å; K118-E120 IonicContact NZ-OE1 3.89Å; K118-E120 PolarHBondContact NZ-OE1 3.29Å; K118-E120 PolarHBondContact O-N 2.98Å
119E81.4Confident78.8Confident136 Ų13699.2 Ų99.264%0.63647%0.472SS*.  trans-70.399.8174.3-148.687.9-111.100107.6R117R117-E119 PolarHBondContact O-N 3.48Å
120E74.2Confident76.8Confident98 Ų98102.8 Ų102.846%0.45850%0.495SS..  trans-111.64167.7-66.6177.215500110.6N53 K118 W122N53-E120 PolarHBondContact ND2-OE2 3.13Å; K118-E120 HydrophobicContact CD-CG 4Å; K118-E120 WeakPolarHBondContact CD-OE1 3.33Å; K118-E120 WeakPolarHBondContact CE-OE1 3.32Å; K118-E120 HydrophobicContact CG-CG 4.04Å; K118-E120 IonicContact NZ-OE1 3.89Å; K118-E120 PolarHBondContact NZ-OE1 3.29Å; K118-E120 PolarHBondContact O-N 2.98Å; E120-W122 PolarHBondContact O-N 2.91Å; E120-W122 VanDerWaalsContact O-N 3.16Å
121R70.8Confident74.8Confident177 Ų177102.4 Ų102.467%0.66849%0.49SS*.SBendtrans-68.5115.7173.6-167.5173.4-173.3132.61.2106.1D123R121-D123 PolarHBondContact O-N 3.39Å
122W65.3Low72.7Confident204 Ų204105.4 Ų105.477%0.77351%0.511SS*.  trans-63.8102.9176.9-66.391.2000108.6E120 M124E120-W122 PolarHBondContact O-N 2.91Å; E120-W122 VanDerWaalsContact O-N 3.16Å; W122-M124 PolarHBondContact O-N 3.35Å; W122-M124 VanDerWaalsContact O-N 3.16Å
123D61Low70.7Confident72 Ų72104.5 Ų104.539%0.38551%0.505SS..  trans-76103.7168.3-75.5-24000107.6R121 A125 E126R121-D123 PolarHBondContact O-N 3.39Å; D123-A125 PolarHBondContact O-N 3.39Å; D123-A125 VanDerWaalsContact O-N 3.14Å; D123-E126 HydrophobicContact CB-CB 4.43Å; D123-E126 HydrophobicContact CB-CG 3.98Å; D123-E126 PolarHBondContact O-N 3.4Å
124M58.4Low69.2Low94 Ų94107.7 Ų107.746%0.46352%0.515SS..THydrogen-bonded Turntrans-58.6-25.6-178.8-69.4177.970.800112.2W122 L131W122-M124 PolarHBondContact O-N 3.35Å; W122-M124 VanDerWaalsContact O-N 3.16Å; M124-L131 HydrophobicContact CB-CD2 3.31Å; M124-L131 HydrophobicContact CB-CG 4.21Å; M124-L131 HydrophobicContact CE-CD2 3.97Å; M124-L131 HydrophobicContact CG-CD2 4.3Å; M124-L131 HydrophobicContact SD-CD2 4.11Å
125A63Low67.9Low79 Ų79116.4 Ų116.465%0.65354%0.544SS*.THydrogen-bonded Turntrans-69.3-30175.800000113.4D123 L131D123-A125 PolarHBondContact O-N 3.39Å; D123-A125 VanDerWaalsContact O-N 3.14Å; A125-L131 HydrophobicContact CB-CD1 4.37Å
126E60.8Low67Low154 Ų154121.7 Ų121.772%0.7257%0.567SS**THydrogen-bonded Turntrans-84.1-20.2-175.7-63.9-170.7162.700113.3D123D123-E126 HydrophobicContact CB-CB 4.43Å; D123-E126 HydrophobicContact CB-CG 3.98Å; D123-E126 PolarHBondContact O-N 3.4Å
127N60.6Low66.1Low92 Ų92117.3 Ų117.349%0.49255%0.553SS.*THydrogen-bonded Turntrans-94.66.5-175.4-87.1-58.8000114.8Q129N127-Q129 PolarHBondContact O-N 2.9Å
128E58.3Low65.5Low188 Ų188116.2 Ų116.288%0.87955%0.551SS**THydrogen-bonded Turntrans54.810.6-175.9-55.8-179.816500114I130E128-I130 PolarHBondContact O-N 3.49Å
129Q54.2Low65.1Low144 Ų144116.8 Ų116.867%0.67356%0.555SS**  trans-67.5128.8171.1-170.6132.3-17.700106.3N127 L131N127-Q129 PolarHBondContact O-N 2.9Å; Q129-L131 VanDerWaalsContact C-N 3.27Å; Q129-L131 PolarHBondContact O-N 3.45Å
130I53Low65.2Low155 Ų155115 Ų11580%0.79555%0.545SS*.  trans-54.499.2176.3-56.5168.2000106.3E128 T132E128-I130 PolarHBondContact O-N 3.49Å; I130-T132 PolarHBondContact O-N 3.15Å
131L53.3Low65.7Low65 Ų65112.3 Ų112.334%0.3453%0.534SS..  trans-47.1121.3163.4-76161.3000103.1M124 A125 Q129 T133M124-L131 HydrophobicContact CB-CD2 3.31Å; M124-L131 HydrophobicContact CB-CG 4.21Å; M124-L131 HydrophobicContact CE-CD2 3.97Å; M124-L131 HydrophobicContact CG-CD2 4.3Å; M124-L131 HydrophobicContact SD-CD2 4.11Å; A125-L131 HydrophobicContact CB-CD1 4.37Å; Q129-L131 VanDerWaalsContact C-N 3.27Å; Q129-L131 PolarHBondContact O-N 3.45Å; L131-T133 PolarHBondContact O-N 3.42Å
132T52.3Low66.4Low98 Ų98111.3 Ų111.360%0.60154%0.536SS*.SBendtrans-63.391.316350.20000103.2I130 K138I130-T132 PolarHBondContact O-N 3.15Å; T132-K138 WeakPolarHBondContact O-CE 3.46Å; T132-K138 PolarHBondContact O-NZ 2.96Å; T132-K138 PolarHBondContact OG1-NZ 3.14Å
133T54.2Low67.5Low44 Ų44107.2 Ų107.227%0.2753%0.534SS..  trans23.5113.7172.137.50000112.9L131 R135 E137 K138 L141L131-T133 PolarHBondContact O-N 3.42Å; T133-R135 PolarHBondContact O-N 2.86Å; T133-E137 HydrophobicContact CG2-CB 4.22Å; T133-E137 WeakPolarHBondContact CG2-OE2 3.4Å; T133-K138 WeakPolarHBondContact O-CD 3.46Å; T133-K138 WeakPolarHBondContact O-CE 3.47Å; T133-K138 WeakPolarHBondContact O-CG 3.42Å; T133-K138 VanDerWaalsContact OG1-CE 3.24Å; T133-K138 WeakPolarHBondContact OG1-CE 3.39Å; T133-K138 WeakPolarHBondContact OG1-CG 3.28Å; T133-L141 HydrophobicContact CG2-CD1 4.31Å
134E62.9Low69Low117 Ų117107.4 Ų107.455%0.54754%0.535SS..  trans-30.9130169.2-63.5175.1167.500108.9E136 E137 K138E134-E136 CarbonylContact O-C 3.48Å; E134-E136 PolarHBondContact O-N 3.01Å; E134-E137 HydrophobicContact CB-CG 4.35Å; E134-E137 WeakPolarHBondContact O-CA 3.48Å; E134-E137 WeakPolarHBondContact O-CB 2.96Å; E134-E137 PolarHBondContact O-N 2.88Å; E134-K138 PolarHBondContact O-N 3.41Å
135R67.8Low70.5Confident195 Ų195106.4 Ų106.474%0.73654%0.542SS*.Hα-helixtrans-43-35.6-170.1178.5-178.8177.9150.73.8113.3T133 K138 E139T133-R135 PolarHBondContact O-N 2.86Å; R135-K138 PolarHBondContact O-N 2.96Å; R135-E139 HydrophobicContact CG-CG 4.4Å; R135-E139 VanDerWaalsContact CG-OE1 3.31Å; R135-E139 WeakPolarHBondContact CG-OE1 3.27Å; R135-E139 IonicContact CZ-OE1 2.7Å; R135-E139 IonicContact NE-OE1 2.85Å; R135-E139 PolarHBondContact NE-OE1 3.3Å; R135-E139 IonicContact NH2-OE1 2.73Å; R135-E139 WeakPolarHBondContact O-CB 3.48Å; R135-E139 WeakPolarHBondContact O-CG 3.18Å; R135-E139 PolarHBondContact O-N 3.05Å
136E75.1Confident72Confident118 Ų118108.1 Ų108.155%0.55154%0.538SS*.Hα-helixtrans-63.3-41.5173.6-55.6-174.9-176.700114.8E134 E139 K140E134-E136 CarbonylContact O-C 3.48Å; E134-E136 PolarHBondContact O-N 3.01Å; E136-E139 PolarHBondContact O-N 3.31Å; E136-K140 VanDerWaalsContact O-CB 3.31Å; E136-K140 WeakPolarHBondContact O-CB 3.47Å; E136-K140 WeakPolarHBondContact O-CD 3.34Å; E136-K140 WeakPolarHBondContact O-CG 3.16Å; E136-K140 PolarHBondContact O-N 3.14Å; E136-K140 IonicContact OE2-NZ 3.89Å
137E76.5Confident73.4Confident64 Ų64103.6 Ų103.630%0.29952%0.515SS..Hα-helixtrans-67.6-36.7173.1-68.6-172.9149.700111.9T133 E134 K140 L141T133-E137 HydrophobicContact CG2-CB 4.22Å; T133-E137 WeakPolarHBondContact CG2-OE2 3.4Å; E134-E137 HydrophobicContact CB-CG 4.35Å; E134-E137 WeakPolarHBondContact O-CA 3.48Å; E134-E137 WeakPolarHBondContact O-CB 2.96Å; E134-E137 PolarHBondContact O-N 2.88Å; E137-K140 PolarHBondContact O-N 3.28Å; E137-L141 WeakPolarHBondContact O-CB 3.39Å; E137-L141 WeakPolarHBondContact O-CG 3.26Å; E137-L141 PolarHBondContact O-N 3.33Å
138K81.3Confident74.9Confident73 Ų73105.5 Ų105.532%0.31752%0.519SS..Hα-helixtrans-63.4-49.4169.9-74179.9-179.4161.90111.2T132 T133 E134 R135 K140 L141 E142T132-K138 WeakPolarHBondContact O-CE 3.46Å; T132-K138 PolarHBondContact O-NZ 2.96Å; T132-K138 PolarHBondContact OG1-NZ 3.14Å; T133-K138 WeakPolarHBondContact O-CD 3.46Å; T133-K138 WeakPolarHBondContact O-CE 3.47Å; T133-K138 WeakPolarHBondContact O-CG 3.42Å; T133-K138 VanDerWaalsContact OG1-CE 3.24Å; T133-K138 WeakPolarHBondContact OG1-CE 3.39Å; T133-K138 WeakPolarHBondContact OG1-CG 3.28Å; E134-K138 PolarHBondContact O-N 3.41Å; R135-K138 PolarHBondContact O-N 2.96Å; K138-K140 VanDerWaalsContact C-N 3.26Å; K138-K140 PolarHBondContact O-N 2.94Å; K138-L141 PolarHBondContact O-N 2.92Å; K138-L141 VanDerWaalsContact O-N 3.13Å; K138-E142 WeakPolarHBondContact O-CB 3.48Å; K138-E142 VanDerWaalsContact O-CG 3.29Å; K138-E142 WeakPolarHBondContact O-CG 3.45Å; K138-E142 PolarHBondContact O-N 3.07Å
139E83.1Confident76.6Confident86 Ų86102.3 Ų102.340%0.40251%0.507SS..Hα-helixtrans-58.4-40.7177-75.5171.7-171.900110.3R135 E136 E142 T143R135-E139 HydrophobicContact CG-CG 4.4Å; R135-E139 VanDerWaalsContact CG-OE1 3.31Å; R135-E139 WeakPolarHBondContact CG-OE1 3.27Å; R135-E139 IonicContact CZ-OE1 2.7Å; R135-E139 IonicContact NE-OE1 2.85Å; R135-E139 PolarHBondContact NE-OE1 3.3Å; R135-E139 IonicContact NH2-OE1 2.73Å; R135-E139 WeakPolarHBondContact O-CB 3.48Å; R135-E139 WeakPolarHBondContact O-CG 3.18Å; R135-E139 PolarHBondContact O-N 3.05Å; E136-E139 PolarHBondContact O-N 3.31Å; E139-E142 PolarHBondContact O-N 3.01Å; E139-T143 VanDerWaalsContact O-CB 3.25Å; E139-T143 WeakPolarHBondContact O-CB 3.1Å; E139-T143 WeakPolarHBondContact O-CG2 3.46Å; E139-T143 PolarHBondContact O-N 3.3Å; E139-T143 PolarHBondContact O-OG1 2.96Å
140K84.1Confident78.4Confident97 Ų9799.8 Ų99.842%0.42250%0.498SS..Hα-helixtrans-67.2-40.4174.1-72163.5-164167.80113E136 E137 K138 E142 D144 Y147E136-K140 VanDerWaalsContact O-CB 3.31Å; E136-K140 WeakPolarHBondContact O-CB 3.47Å; E136-K140 WeakPolarHBondContact O-CD 3.34Å; E136-K140 WeakPolarHBondContact O-CG 3.16Å; E136-K140 PolarHBondContact O-N 3.14Å; E136-K140 IonicContact OE2-NZ 3.89Å; E137-K140 PolarHBondContact O-N 3.28Å; K138-K140 VanDerWaalsContact C-N 3.26Å; K138-K140 PolarHBondContact O-N 2.94Å; K140-E142 VanDerWaalsContact C-N 3.26Å; K140-E142 PolarHBondContact O-N 3.29Å; K140-D144 WeakPolarHBondContact O-CB 3.32Å; K140-D144 PolarHBondContact O-N 3.26Å; K140-Y147 HydrophobicContact CB-CD1 3.98Å; K140-Y147 HydrophobicContact CB-CE1 3.97Å
141L83.8Confident80.2Confident42 Ų4294.2 Ų94.222%0.2247%0.468CS..Hα-helixtrans-65.9-29.3174.9-76.8167.6000112.8T133 E137 K138 Y147 K148 H151T133-L141 HydrophobicContact CG2-CD1 4.31Å; E137-L141 WeakPolarHBondContact O-CB 3.39Å; E137-L141 WeakPolarHBondContact O-CG 3.26Å; E137-L141 PolarHBondContact O-N 3.33Å; K138-L141 PolarHBondContact O-N 2.92Å; K138-L141 VanDerWaalsContact O-N 3.13Å; L141-Y147 HydrophobicContact CD2-CD1 3.75Å; L141-Y147 HydrophobicContact CD2-CE1 3.92Å; L141-Y147 HydrophobicContact CG-CD1 3.98Å; L141-Y147 HydrophobicContact CG-CE1 3.88Å; L141-K148 HydrophobicContact CD2-CB 4.33Å; L141-K148 HydrophobicContact CD2-CG 4.49Å; L141-H151 HydrophobicContact CD2-CB 3.74Å
142E84.9Confident82Confident156 Ų15692.5 Ų92.573%0.72947%0.467SS*.Hα-helixtrans-85.5-37178.6-71.2173-167.800112.4K138 E139 K140K138-E142 WeakPolarHBondContact O-CB 3.48Å; K138-E142 VanDerWaalsContact O-CG 3.29Å; K138-E142 WeakPolarHBondContact O-CG 3.45Å; K138-E142 PolarHBondContact O-N 3.07Å; E139-E142 PolarHBondContact O-N 3.01Å; K140-E142 VanDerWaalsContact C-N 3.26Å; K140-E142 PolarHBondContact O-N 3.29Å
143T89.1Confident83.9Confident118 Ų11889.3 Ų89.372%0.72445%0.453SS*.Hα-helixtrans-88.3-36.1-176.455.60000113.6E139E139-T143 VanDerWaalsContact O-CB 3.25Å; E139-T143 WeakPolarHBondContact O-CB 3.1Å; E139-T143 WeakPolarHBondContact O-CG2 3.46Å; E139-T143 PolarHBondContact O-N 3.3Å; E139-T143 PolarHBondContact O-OG1 2.96Å
144D92.1Very high85.7Confident76 Ų7692.3 Ų92.341%0.40646%0.463SS..  trans-108.1109.3-177.4-174.92.4000112.1K140 M146 Y147 K148K140-D144 WeakPolarHBondContact O-CB 3.32Å; K140-D144 PolarHBondContact O-N 3.26Å; D144-M146 VanDerWaalsContact C-N 3.32Å; D144-M146 PolarHBondContact O-N 3.26Å; D144-M146 PolarHBondContact OD1-N 3.43Å; D144-Y147 PolarHBondContact O-N 3.12Å; D144-K148 PolarHBondContact O-N 2.94Å; D144-K148 VanDerWaalsContact O-N 3.16Å
145A90.7Very high86.9Confident73 Ų7390.6 Ų90.660%0.60346%0.457SS*.Hα-helixtrans-65.2-32.1178.600000113.2L149A145-L149 WeakPolarHBondContact O-CG 3.42Å; A145-L149 PolarHBondContact O-N 3.37Å; A145-L149 VanDerWaalsContact O-N 3.16Å
146M93.6Very high88.2Confident116 Ų11688.5 Ų88.557%0.57145%0.453SS*.Hα-helixtrans-72.1-44.4178.6-72.5-59.4-58.500110.7D144 K148 L149 D150D144-M146 VanDerWaalsContact C-N 3.32Å; D144-M146 PolarHBondContact O-N 3.26Å; D144-M146 PolarHBondContact OD1-N 3.43Å; M146-K148 VanDerWaalsContact C-N 3.26Å; M146-K148 PolarHBondContact O-N 2.74Å; M146-L149 PolarHBondContact O-N 2.92Å; M146-L149 VanDerWaalsContact O-N 3.12Å; M146-D150 PolarHBondContact O-N 3.43Å
147Y90.8Very high89.1Confident59 Ų5988.1 Ų88.123%0.23145%0.452CS..Hα-helixtrans-57.8-39.8175.2-172.6-103000112.5K140 L141 D144 D150 H151K140-Y147 HydrophobicContact CB-CD1 3.98Å; K140-Y147 HydrophobicContact CB-CE1 3.97Å; L141-Y147 HydrophobicContact CD2-CD1 3.75Å; L141-Y147 HydrophobicContact CD2-CE1 3.92Å; L141-Y147 HydrophobicContact CG-CD1 3.98Å; L141-Y147 HydrophobicContact CG-CE1 3.88Å; D144-Y147 PolarHBondContact O-N 3.12Å; Y147-D150 PolarHBondContact O-N 3.41Å; Y147-H151 AromaticContact CD1-CE1 3.98Å; Y147-H151 AromaticContact CD1-ND1 3.65Å; Y147-H151 AromaticContact CD2-CE1 3.91Å; Y147-H151 AromaticContact CD2-ND1 3.91Å; Y147-H151 AromaticContact CE1-CE1 3.32Å; Y147-H151 WeakPolarHBondContact CE1-CE1 3.17Å; Y147-H151 AromaticContact CE1-ND1 3.42Å; Y147-H151 WeakPolarHBondContact CE1-ND1 3.38Å; Y147-H151 AromaticContact CE1-NE2 3.92Å; Y147-H151 AromaticContact CE2-CE1 3.26Å; Y147-H151 WeakPolarHBondContact CE2-CE1 3.45Å; Y147-H151 AromaticContact CE2-ND1 3.72Å; Y147-H151 AromaticContact CG-ND1 3.89Å; Y147-H151 AromaticContact CZ-CE1 2.92Å; Y147-H151 AromaticContact CZ-ND1 3.48Å; Y147-H151 AromaticContact CZ-NE2 3.64Å; Y147-H151 WeakPolarHBondContact O-CB 3.39Å; Y147-H151 PolarHBondContact O-N 2.73Å; Y147-H151 PolarHBondContact O-ND1 3.43Å; Y147-H151 PolarHBondContact OH-CE1 3Å; Y147-H151 PolarHBondContact OH-NE2 3.47Å
148K92.6Very high89.9Confident132 Ų13291.1 Ų91.157%0.57446%0.464SS*.Hα-helixtrans-64.2-41.9175.1-173.1179.6-178.1172.10112.9L141 D144 M146 H151 G152L141-K148 HydrophobicContact CD2-CB 4.33Å; L141-K148 HydrophobicContact CD2-CG 4.49Å; D144-K148 PolarHBondContact O-N 2.94Å; D144-K148 VanDerWaalsContact O-N 3.16Å; M146-K148 VanDerWaalsContact C-N 3.26Å; M146-K148 PolarHBondContact O-N 2.74Å; K148-H151 PolarHBondContact O-N 3.3Å; K148-G152 PolarHBondContact O-N 3.2Å
149L93.4Very high90.4Very high121 Ų12192.5 Ų92.563%0.63447%0.474SS*.Hα-helixtrans-64.9-44.2176.4-74.7177.1000111.5A145 M146 H151 G152 G153A145-L149 WeakPolarHBondContact O-CG 3.42Å; A145-L149 PolarHBondContact O-N 3.37Å; A145-L149 VanDerWaalsContact O-N 3.16Å; M146-L149 PolarHBondContact O-N 2.92Å; M146-L149 VanDerWaalsContact O-N 3.12Å; L149-H151 PolarHBondContact O-N 2.93Å; L149-G152 PolarHBondContact O-N 3.06Å; L149-G153 PolarHBondContact O-N 3.37Å
150D91.1Very high91Very high90 Ų9092.3 Ų92.348%0.48148%0.479SS..Hα-helixtrans-64.3-40.1177.5-72.5-14000111.8M146 Y147 G153 K154M146-D150 PolarHBondContact O-N 3.43Å; Y147-D150 PolarHBondContact O-N 3.41Å; D150-G153 PolarHBondContact O-N 3.41Å; D150-K154 WeakPolarHBondContact O-CG 3.41Å; D150-K154 PolarHBondContact O-N 2.94Å
151H90.8Very high91.5Very high38 Ų3894.7 Ų94.718%0.17649%0.489CS..Hα-helixtrans-62.9-46.7173.3-87.367.2000111.9L141 Y147 K148 L149 G153 K154 D155L141-H151 HydrophobicContact CD2-CB 3.74Å; Y147-H151 AromaticContact CD1-CE1 3.98Å; Y147-H151 AromaticContact CD1-ND1 3.65Å; Y147-H151 AromaticContact CD2-CE1 3.91Å; Y147-H151 AromaticContact CD2-ND1 3.91Å; Y147-H151 AromaticContact CE1-CE1 3.32Å; Y147-H151 WeakPolarHBondContact CE1-CE1 3.17Å; Y147-H151 AromaticContact CE1-ND1 3.42Å; Y147-H151 WeakPolarHBondContact CE1-ND1 3.38Å; Y147-H151 AromaticContact CE1-NE2 3.92Å; Y147-H151 AromaticContact CE2-CE1 3.26Å; Y147-H151 WeakPolarHBondContact CE2-CE1 3.45Å; Y147-H151 AromaticContact CE2-ND1 3.72Å; Y147-H151 AromaticContact CG-ND1 3.89Å; Y147-H151 AromaticContact CZ-CE1 2.92Å; Y147-H151 AromaticContact CZ-ND1 3.48Å; Y147-H151 AromaticContact CZ-NE2 3.64Å; Y147-H151 WeakPolarHBondContact O-CB 3.39Å; Y147-H151 PolarHBondContact O-N 2.73Å; Y147-H151 PolarHBondContact O-ND1 3.43Å; Y147-H151 PolarHBondContact OH-CE1 3Å; Y147-H151 PolarHBondContact OH-NE2 3.47Å; K148-H151 PolarHBondContact O-N 3.3Å; L149-H151 PolarHBondContact O-N 2.93Å; H151-G153 VanDerWaalsContact C-N 3.25Å; H151-G153 PolarHBondContact O-N 3.26Å; H151-K154 PolarHBondContact O-N 3.37Å; H151-D155 PolarHBondContact O-N 3.48Å
152G91.4Very high92Very high30 Ų3094.8 Ų94.831%0.30950%0.496SS..Hα-helixtrans-60.2-35.4175.400000112.8K148 L149 K156K148-G152 PolarHBondContact O-N 3.2Å; L149-G152 PolarHBondContact O-N 3.06Å; G152-K156 VanDerWaalsContact O-CG 3.28Å; G152-K156 WeakPolarHBondContact O-CG 3.43Å; G152-K156 PolarHBondContact O-N 2.96Å; G152-K156 VanDerWaalsContact O-N 3.12Å
153G93.8Very high92.5Very high31 Ų3191.7 Ų91.732%0.3248%0.484SS..Hα-helixtrans-63.7-51.3172.300000112.2L149 D150 H151 D155 K156 E157L149-G153 PolarHBondContact O-N 3.37Å; D150-G153 PolarHBondContact O-N 3.41Å; H151-G153 VanDerWaalsContact C-N 3.25Å; H151-G153 PolarHBondContact O-N 3.26Å; G153-D155 VanDerWaalsContact C-N 3.29Å; G153-D155 PolarHBondContact O-N 3.12Å; G153-K156 WeakPolarHBondContact O-CB 3.47Å; G153-K156 PolarHBondContact O-N 3.19Å; G153-E157 PolarHBondContact O-N 3.32Å
154K90.7Very high92.8Very high107 Ų10789.1 Ų89.147%0.46547%0.469SS..Hα-helixtrans-59.3-38.2177.4-71171.1-174.6174.30112.4D150 H151 E157 K158D150-K154 WeakPolarHBondContact O-CG 3.41Å; D150-K154 PolarHBondContact O-N 2.94Å; H151-K154 PolarHBondContact O-N 3.37Å; K154-E157 WeakPolarHBondContact O-CB 3.48Å; K154-E157 PolarHBondContact O-N 2.79Å; K154-K158 VanDerWaalsContact O-CG 3.32Å; K154-K158 WeakPolarHBondContact O-CG 3.36Å; K154-K158 PolarHBondContact O-N 2.97Å
155D89Confident92.9Very high80 Ų8088.4 Ų88.443%0.42847%0.47SS..Hα-helixtrans-71-37.1179-69.6-21.1000112.1H151 G153 E157 K158 L159H151-D155 PolarHBondContact O-N 3.48Å; G153-D155 VanDerWaalsContact C-N 3.29Å; G153-D155 PolarHBondContact O-N 3.12Å; D155-E157 VanDerWaalsContact C-N 3.35Å; D155-K158 PolarHBondContact O-N 3.49Å; D155-K158 IonicContact OD1-NZ 3.73Å; D155-K158 PolarHBondContact OD1-NZ 3.29Å; D155-L159 WeakPolarHBondContact O-CB 3.41Å; D155-L159 PolarHBondContact O-N 3.31Å
156K93.9Very high93.1Very high151 Ų15189.9 Ų89.966%0.65747%0.467SS*.Hα-helixtrans-62.1-42.7169.4-71.5172.3-174.41800111.4G152 G153 L159 T160G152-K156 VanDerWaalsContact O-CG 3.28Å; G152-K156 WeakPolarHBondContact O-CG 3.43Å; G152-K156 PolarHBondContact O-N 2.96Å; G152-K156 VanDerWaalsContact O-N 3.12Å; G153-K156 WeakPolarHBondContact O-CB 3.47Å; G153-K156 PolarHBondContact O-N 3.19Å; K156-L159 WeakPolarHBondContact O-CB 3.4Å; K156-L159 PolarHBondContact O-N 2.95Å; K156-T160 WeakPolarHBondContact O-CG2 3.48Å; K156-T160 PolarHBondContact O-N 3.2Å; K156-T160 PolarHBondContact O-OG1 3.12Å
157E94.4Very high93.2Very high110 Ų11086.9 Ų86.951%0.51446%0.458SS..Hα-helixtrans-61.3-45.4175.6-72.7-179-167.500112G153 K154 D155 L159 T160 K161G153-E157 PolarHBondContact O-N 3.32Å; K154-E157 WeakPolarHBondContact O-CB 3.48Å; K154-E157 PolarHBondContact O-N 2.79Å; D155-E157 VanDerWaalsContact C-N 3.35Å; E157-L159 VanDerWaalsContact C-N 3.31Å; E157-L159 PolarHBondContact O-N 2.89Å; E157-T160 WeakPolarHBondContact CA-OG1 3.1Å; E157-T160 PolarHBondContact O-N 3.31Å; E157-T160 PolarHBondContact O-OG1 3.49Å; E157-K161 WeakPolarHBondContact O-CG 3.31Å; E157-K161 PolarHBondContact O-N 2.92Å
158K92.5Very high93.3Very high127 Ų12789.2 Ų89.255%0.55247%0.471SS*.Hα-helixtrans-57.9-44.8174.2-70.3171-162.71600111.2K154 D155 K161 A162K154-K158 VanDerWaalsContact O-CG 3.32Å; K154-K158 WeakPolarHBondContact O-CG 3.36Å; K154-K158 PolarHBondContact O-N 2.97Å; D155-K158 PolarHBondContact O-N 3.49Å; D155-K158 IonicContact OD1-NZ 3.73Å; D155-K158 PolarHBondContact OD1-NZ 3.29Å; K158-K161 PolarHBondContact O-N 3.34Å; K158-A162 WeakPolarHBondContact O-CB 3.13Å; K158-A162 PolarHBondContact O-N 2.92Å
159L92.9Very high93.4Very high102 Ų10286.9 Ų86.953%0.53446%0.464SS..Hα-helixtrans-58.5-51.3175.8-175.5156.7000110.5D155 K156 E157 K161 A162 L163D155-L159 WeakPolarHBondContact O-CB 3.41Å; D155-L159 PolarHBondContact O-N 3.31Å; K156-L159 WeakPolarHBondContact O-CB 3.4Å; K156-L159 PolarHBondContact O-N 2.95Å; E157-L159 VanDerWaalsContact C-N 3.31Å; E157-L159 PolarHBondContact O-N 2.89Å; L159-K161 VanDerWaalsContact C-N 3.25Å; L159-K161 PolarHBondContact O-N 2.88Å; L159-A162 PolarHBondContact O-N 2.87Å; L159-L163 HydrophobicContact CD2-CD1 3.64Å; L159-L163 HydrophobicContact CD2-CD2 4.1Å; L159-L163 HydrophobicContact CD2-CG 3.73Å; L159-L163 WeakPolarHBondContact O-CG 3.21Å; L159-L163 PolarHBondContact O-N 3.23Å
160T95Very high93.3Very high83 Ų8387.2 Ų87.251%0.50946%0.462SS..Hα-helixtrans-60.2-34.6179.858.40000113K156 E157 P164K156-T160 WeakPolarHBondContact O-CG2 3.48Å; K156-T160 PolarHBondContact O-N 3.2Å; K156-T160 PolarHBondContact O-OG1 3.12Å; E157-T160 WeakPolarHBondContact CA-OG1 3.1Å; E157-T160 PolarHBondContact O-N 3.31Å; E157-T160 PolarHBondContact O-OG1 3.49Å; T160-P164 VanDerWaalsContact O-CD 3.22Å; T160-P164 WeakPolarHBondContact O-CD 3.39Å
161K94.6Very high93.3Very high147 Ų14788.3 Ų88.364%0.63947%0.468SS*.Hα-helixtrans-70.5-33.6174.2-71170.3-177168.90112.5E157 K158 L159 P164E157-K161 WeakPolarHBondContact O-CG 3.31Å; E157-K161 PolarHBondContact O-N 2.92Å; K158-K161 PolarHBondContact O-N 3.34Å; L159-K161 VanDerWaalsContact C-N 3.25Å; L159-K161 PolarHBondContact O-N 2.88Å; K161-P164 WeakPolarHBondContact O-CD 3.4Å; K161-P164 WeakPolarHBondContact O-CG 3.24Å
162A94Very high93.1Very high43 Ų4394.5 Ų94.536%0.35549%0.491SS..Hα-helixtrans-80.3-30.7179.900000113.4K158 L159 S165 L166K158-A162 WeakPolarHBondContact O-CB 3.13Å; K158-A162 PolarHBondContact O-N 2.92Å; L159-A162 PolarHBondContact O-N 2.87Å; A162-S165 WeakPolarHBondContact O-CB 3.21Å; A162-S165 PolarHBondContact O-N 3.25Å; A162-S165 VanDerWaalsContact O-N 3.12Å; A162-L166 WeakPolarHBondContact O-CG 3.25Å; A162-L166 PolarHBondContact O-N 2.91Å
163L95.6Very high92.9Very high91 Ų9198.8 Ų98.848%0.47650%0.503SS..Hα-helixtrans-49.1-49.2179.3-75.9178.3000115.1L159 S165 L166 S167L159-L163 HydrophobicContact CD2-CD1 3.64Å; L159-L163 HydrophobicContact CD2-CD2 4.1Å; L159-L163 HydrophobicContact CD2-CG 3.73Å; L159-L163 WeakPolarHBondContact O-CG 3.21Å; L159-L163 PolarHBondContact O-N 3.23Å; L163-S165 VanDerWaalsContact C-N 3.32Å; L163-S165 PolarHBondContact O-N 3.27Å; L163-L166 PolarHBondContact O-N 3.14Å; L163-S167 PolarHBondContact O-N 3.05Å; L163-S167 PolarHBondContact O-OG 2.98Å
164P95.8Very high92.6Very high65 Ų6599.3 Ų99.342%0.42251%0.505SS..Hα-helixtrans-61.6-40.917922.8-33.8000112.1T160 K161 L166 S167 E168T160-P164 VanDerWaalsContact O-CD 3.22Å; T160-P164 WeakPolarHBondContact O-CD 3.39Å; K161-P164 WeakPolarHBondContact O-CD 3.4Å; K161-P164 WeakPolarHBondContact O-CG 3.24Å; P164-L166 VanDerWaalsContact C-N 3.35Å; P164-L166 PolarHBondContact O-N 3.47Å; P164-S167 VanDerWaalsContact CA-OG 3.3Å; P164-S167 WeakPolarHBondContact CA-OG 3.33Å; P164-S167 PolarHBondContact O-N 2.88Å; P164-S167 PolarHBondContact O-OG 2.84Å; P164-E168 VanDerWaalsContact O-CG 3.32Å; P164-E168 WeakPolarHBondContact O-CG 3.29Å; P164-E168 PolarHBondContact O-N 3.17Å
165S95.1Very high92Very high61 Ų6196.7 Ų96.743%0.42751%0.507SS..Hα-helixtrans-64.6-39.3176.2-179.50000111.8A162 L163 E168 I169A162-S165 WeakPolarHBondContact O-CB 3.21Å; A162-S165 PolarHBondContact O-N 3.25Å; A162-S165 VanDerWaalsContact O-N 3.12Å; L163-S165 VanDerWaalsContact C-N 3.32Å; L163-S165 PolarHBondContact O-N 3.27Å; S165-E168 PolarHBondContact O-N 3.15Å; S165-I169 WeakPolarHBondContact O-CD1 3.37Å; S165-I169 VanDerWaalsContact O-CG1 3.27Å; S165-I169 WeakPolarHBondContact O-CG1 3.49Å; S165-I169 PolarHBondContact O-N 2.73Å
166L94.3Very high91.6Very high103 Ų103101.7 Ų101.754%0.53952%0.521SS..Hα-helixtrans-66.8-40175.3-68.7175.5000112.2A162 L163 P164 I169 Q170A162-L166 WeakPolarHBondContact O-CG 3.25Å; A162-L166 PolarHBondContact O-N 2.91Å; L163-L166 PolarHBondContact O-N 3.14Å; P164-L166 VanDerWaalsContact C-N 3.35Å; P164-L166 PolarHBondContact O-N 3.47Å; L166-I169 PolarHBondContact O-N 2.85Å; L166-Q170 WeakPolarHBondContact O-CB 3.22Å; L166-Q170 PolarHBondContact O-N 3.42Å
167S94.9Very high90.9Very high53 Ų53102.6 Ų102.637%0.37153%0.525SS..Hα-helixtrans-64.3-41.6174.651.50000111.9L163 P164 I169 Q170 D171L163-S167 PolarHBondContact O-N 3.05Å; L163-S167 PolarHBondContact O-OG 2.98Å; P164-S167 VanDerWaalsContact CA-OG 3.3Å; P164-S167 WeakPolarHBondContact CA-OG 3.33Å; P164-S167 PolarHBondContact O-N 2.88Å; P164-S167 PolarHBondContact O-OG 2.84Å; S167-I169 VanDerWaalsContact C-N 3.34Å; S167-I169 PolarHBondContact O-N 2.95Å; S167-Q170 PolarHBondContact O-N 3.35Å; S167-Q170 VanDerWaalsContact O-N 3.17Å; S167-D171 WeakPolarHBondContact O-CB 3.34Å; S167-D171 VanDerWaalsContact O-CG 3.26Å; S167-D171 PolarHBondContact O-N 3.48Å
168E94Very high90.6Very high109 Ų109100.3 Ų100.351%0.50952%0.516SS..Hα-helixtrans-58.6-47.1175-73.6169.8-16900110.9P164 S165 Q170 D171 Y172P164-E168 VanDerWaalsContact O-CG 3.32Å; P164-E168 WeakPolarHBondContact O-CG 3.29Å; P164-E168 PolarHBondContact O-N 3.17Å; S165-E168 PolarHBondContact O-N 3.15Å; E168-Q170 VanDerWaalsContact C-N 3.32Å; E168-Q170 PolarHBondContact O-N 3.48Å; E168-D171 PolarHBondContact O-N 2.94Å; E168-Y172 HydrophobicContact CB-CE2 4.39Å; E168-Y172 WeakPolarHBondContact O-CD2 2.98Å; E168-Y172 PolarHBondContact O-N 2.98Å
169I93.2Very high90.3Very high83 Ų8399.5 Ų99.543%0.42652%0.518SS..Hα-helixtrans-60.3-42.7176.7-67.1164.1000111S165 L166 S167 Y172 Q173S165-I169 WeakPolarHBondContact O-CD1 3.37Å; S165-I169 VanDerWaalsContact O-CG1 3.27Å; S165-I169 WeakPolarHBondContact O-CG1 3.49Å; S165-I169 PolarHBondContact O-N 2.73Å; L166-I169 PolarHBondContact O-N 2.85Å; S167-I169 VanDerWaalsContact C-N 3.34Å; S167-I169 PolarHBondContact O-N 2.95Å; I169-Y172 PolarHBondContact O-N 2.92Å; I169-Q173 WeakPolarHBondContact O-CG 3.41Å; I169-Q173 PolarHBondContact O-N 3.35Å
170Q92.4Very high90.1Very high127 Ų127102.4 Ų102.459%0.59353%0.526SS*.Hα-helixtrans-64.9-39.4178.5-173.8174.7-3.800112L166 S167 E168 Q173 A174L166-Q170 WeakPolarHBondContact O-CB 3.22Å; L166-Q170 PolarHBondContact O-N 3.42Å; S167-Q170 PolarHBondContact O-N 3.35Å; S167-Q170 VanDerWaalsContact O-N 3.17Å; E168-Q170 VanDerWaalsContact C-N 3.32Å; E168-Q170 PolarHBondContact O-N 3.48Å; Q170-Q173 PolarHBondContact O-N 2.86Å; Q170-A174 WeakPolarHBondContact O-CB 3.24Å; Q170-A174 PolarHBondContact O-N 3.5Å
171D91.4Very high89.8Confident113 Ų113104.6 Ų104.660%0.60453%0.53SS*.Hα-helixtrans-65.8-41.6176-70.6-20.8000111.2S167 E168 A174 G175S167-D171 WeakPolarHBondContact O-CB 3.34Å; S167-D171 VanDerWaalsContact O-CG 3.26Å; S167-D171 PolarHBondContact O-N 3.48Å; E168-D171 PolarHBondContact O-N 2.94Å; D171-A174 PolarHBondContact O-N 3.28Å; D171-G175 PolarHBondContact O-N 3.28Å; D171-G175 VanDerWaalsContact O-N 3.15Å
172Y87.1Confident89.5Confident168 Ų168100.9 Ų100.966%0.65952%0.517SS*.Hα-helixtrans-61-44.7172.8-76-61.3000112.1E168 I169 A174 G175E168-Y172 HydrophobicContact CB-CE2 4.39Å; E168-Y172 WeakPolarHBondContact O-CD2 2.98Å; E168-Y172 PolarHBondContact O-N 2.98Å; I169-Y172 PolarHBondContact O-N 2.92Å; Y172-A174 VanDerWaalsContact C-N 3.33Å; Y172-A174 PolarHBondContact O-N 3.43Å; Y172-G175 PolarHBondContact O-N 3.4Å
173Q86.8Confident89.4Confident120 Ų120102.7 Ų102.756%0.56152%0.521SS*.Hα-helixtrans-64.4-37.3176-74.7-178.7-5.800112.2I169 Q170 G175 W176I169-Q173 WeakPolarHBondContact O-CG 3.41Å; I169-Q173 PolarHBondContact O-N 3.35Å; Q170-Q173 PolarHBondContact O-N 2.86Å; Q173-G175 VanDerWaalsContact C-N 3.26Å; Q173-G175 PolarHBondContact O-N 3Å; Q173-W176 PolarHBondContact O-N 3.48Å
174A86Confident89.2Confident43 Ų43100.5 Ų100.536%0.35551%0.514SS..Hα-helixtrans-61.5-36.417700000111.9Q170 D171 Y172 W176 K177Q170-A174 WeakPolarHBondContact O-CB 3.24Å; Q170-A174 PolarHBondContact O-N 3.5Å; D171-A174 PolarHBondContact O-N 3.28Å; Y172-A174 VanDerWaalsContact C-N 3.33Å; Y172-A174 PolarHBondContact O-N 3.43Å; A174-W176 PolarHBondContact O-N 3.18Å; A174-K177 WeakPolarHBondContact O-CB 3.01Å; A174-K177 PolarHBondContact O-N 3.46Å
175G79.6Confident89Confident51 Ų5199.5 Ų99.553%0.52651%0.508SS..Hα-helixtrans-64.3-19.5173.900000114.7D171 Y172 Q173D171-G175 PolarHBondContact O-N 3.28Å; D171-G175 VanDerWaalsContact O-N 3.15Å; Y172-G175 PolarHBondContact O-N 3.4Å; Q173-G175 VanDerWaalsContact C-N 3.26Å; Q173-G175 PolarHBondContact O-N 3Å
176W79.8Confident88.9Confident186 Ų18699.8 Ų99.871%0.70550%0.504SS*.THydrogen-bonded Turntrans-96.63178.9-64.82.3000113.5Q173 A174 D178Q173-W176 PolarHBondContact O-N 3.48Å; A174-W176 PolarHBondContact O-N 3.18Å; W176-D178 VanDerWaalsContact C-N 3.31Å; W176-D178 PolarHBondContact O-N 2.93Å
177K79.9Confident88.9Confident170 Ų170102.4 Ų102.474%0.73951%0.507SS*.SBendtrans-72.7-23.5178.9-67.8176.2-179.5173.80113.4A174A174-K177 WeakPolarHBondContact O-CB 3.01Å; A174-K177 PolarHBondContact O-N 3.46Å
178D87.5Confident88.9Confident61 Ų61107.9 Ų107.933%0.32652%0.52SS..  trans-109.885.9178.5-167.8-25.2000111.2W176 F180 Q181 L182W176-D178 VanDerWaalsContact C-N 3.31Å; W176-D178 PolarHBondContact O-N 2.93Å; D178-F180 PolarHBondContact O-N 3.43Å; D178-F180 WeakPolarHBondContact OD1-CB 3.31Å; D178-F180 PolarHBondContact OD1-N 3.16Å; D178-F180 VanDerWaalsContact OD1-N 3.11Å; D178-Q181 HydrophobicContact CB-CB 4.18Å; D178-Q181 HydrophobicContact CB-CG 4.34Å; D178-Q181 VanDerWaalsContact CG-CG 3.47Å; D178-Q181 PolarHBondContact O-N 3.16Å; D178-Q181 PolarHBondContact OD1-N 2.92Å; D178-Q181 WeakPolarHBondContact OD2-CG 3.41Å; D178-Q181 PolarHBondContact OD2-NE2 2.93Å; D178-L182 PolarHBondContact O-N 2.86Å
179D85.8Confident89Confident111 Ų111108.7 Ų108.759%0.59452%0.522SS*.Hα-helixtrans-57.8-32.3177.3-72.1-18000112.6N183D179-N183 VanDerWaalsContact O-CB 3.24Å; D179-N183 WeakPolarHBondContact O-CB 3.12Å; D179-N183 VanDerWaalsContact O-CG 3.32Å; D179-N183 PolarHBondContact O-N 3.38Å; D179-N183 PolarHBondContact O-ND2 3.27Å
180F89.7Confident89.2Confident162 Ų162111 Ų11171%0.71153%0.528SS*.Hα-helixtrans-71.3-46.6-177.7177.6-97000111D178 L182 N183 S184D178-F180 PolarHBondContact O-N 3.43Å; D178-F180 WeakPolarHBondContact OD1-CB 3.31Å; D178-F180 PolarHBondContact OD1-N 3.16Å; D178-F180 VanDerWaalsContact OD1-N 3.11Å; F180-L182 PolarHBondContact O-N 3.06Å; F180-N183 PolarHBondContact O-N 3.26Å; F180-S184 WeakPolarHBondContact O-CB 3.36Å; F180-S184 PolarHBondContact O-N 3.11Å
181Q89.1Confident89.3Confident129 Ų129113 Ų11360%0.60353%0.531SS*.Hα-helixtrans-61.2-44175.9-76.1-177.331.200111.8D178 S184 S185D178-Q181 HydrophobicContact CB-CB 4.18Å; D178-Q181 HydrophobicContact CB-CG 4.34Å; D178-Q181 VanDerWaalsContact CG-CG 3.47Å; D178-Q181 PolarHBondContact O-N 3.16Å; D178-Q181 PolarHBondContact OD1-N 2.92Å; D178-Q181 WeakPolarHBondContact OD2-CG 3.41Å; D178-Q181 PolarHBondContact OD2-NE2 2.93Å; Q181-S184 PolarHBondContact O-N 2.94Å; Q181-S185 WeakPolarHBondContact O-CB 3.46Å; Q181-S185 PolarHBondContact O-N 3.37Å
182L87.9Confident89.6Confident70 Ų70111.7 Ų111.737%0.36653%0.526SS..Hα-helixtrans-61.8-50.6178.8-171.667000111.1D178 F180 S184 S185 L186D178-L182 PolarHBondContact O-N 2.86Å; F180-L182 PolarHBondContact O-N 3.06Å; L182-S184 PolarHBondContact O-N 3.26Å; L182-S185 PolarHBondContact O-N 3.49Å; L182-S185 PolarHBondContact O-OG 2.63Å; L182-L186 HydrophobicContact CG-CD1 4.42Å; L182-L186 WeakPolarHBondContact O-CG 3.2Å; L182-L186 PolarHBondContact O-N 2.8Å
183N91.3Very high90Very high80 Ų80108.6 Ų108.643%0.42852%0.518SS..Hα-helixtrans-62.8-39.9178.1-81.1-53.4000112.8D179 F180 R187D179-N183 VanDerWaalsContact O-CB 3.24Å; D179-N183 WeakPolarHBondContact O-CB 3.12Å; D179-N183 VanDerWaalsContact O-CG 3.32Å; D179-N183 PolarHBondContact O-N 3.38Å; D179-N183 PolarHBondContact O-ND2 3.27Å; F180-N183 PolarHBondContact O-N 3.26Å; N183-R187 WeakPolarHBondContact O-CB 3.5Å; N183-R187 WeakPolarHBondContact O-CG 3.49Å; N183-R187 PolarHBondContact O-N 3.34Å
184S92.6Very high90.4Very high46 Ų46110.5 Ų110.532%0.32252%0.524SS..Hα-helixtrans-62.8-44.9176.3-176.80000111.3F180 Q181 L182 R187 R188F180-S184 WeakPolarHBondContact O-CB 3.36Å; F180-S184 PolarHBondContact O-N 3.11Å; Q181-S184 PolarHBondContact O-N 2.94Å; L182-S184 PolarHBondContact O-N 3.26Å; S184-R187 PolarHBondContact O-N 3.44Å; S184-R188 WeakPolarHBondContact O-CB 3.44Å; S184-R188 PolarHBondContact O-N 2.83Å
185S91.3Very high90.9Very high43 Ų43115.2 Ų115.230%0.30154%0.537SS..Hα-helixtrans-64.1-43.317879.90000112.3Q181 L182 R188 K189Q181-S185 WeakPolarHBondContact O-CB 3.46Å; Q181-S185 PolarHBondContact O-N 3.37Å; L182-S185 PolarHBondContact O-N 3.49Å; L182-S185 PolarHBondContact O-OG 2.63Å; S185-R188 WeakPolarHBondContact O-CB 3.2Å; S185-R188 PolarHBondContact O-N 3.41Å; S185-K189 WeakPolarHBondContact O-CG 3.28Å; S185-K189 PolarHBondContact O-N 2.66Å
186L92.6Very high91.6Very high68 Ų68116.8 Ų116.836%0.35654%0.536SS..Hα-helixtrans-63.9-48.8176.8-75.3175.2000111.2L182 R188 K189 F190L182-L186 HydrophobicContact CG-CD1 4.42Å; L182-L186 WeakPolarHBondContact O-CG 3.2Å; L182-L186 PolarHBondContact O-N 2.8Å; L186-R188 PolarHBondContact O-N 3.36Å; L186-K189 PolarHBondContact O-N 3.47Å; L186-K189 VanDerWaalsContact O-N 3.14Å; L186-F190 HydrophobicContact CB-CD2 4.49Å; L186-F190 HydrophobicContact CB-CE2 4.33Å; L186-F190 WeakPolarHBondContact O-CD2 3.34Å; L186-F190 PolarHBondContact O-N 3.13Å
187R93.7Very high92.1Very high157 Ų157113 Ų11359%0.59253%0.529SS*.Hα-helixtrans-59.2-36.8176.4-71.8170.8-172.1-97.83.7111.6N183 S184 R191N183-R187 WeakPolarHBondContact O-CB 3.5Å; N183-R187 WeakPolarHBondContact O-CG 3.49Å; N183-R187 PolarHBondContact O-N 3.34Å; S184-R187 PolarHBondContact O-N 3.44Å; R187-R191 WeakPolarHBondContact O-CB 3.48Å; R187-R191 WeakPolarHBondContact O-CD 3.38Å; R187-R191 WeakPolarHBondContact O-CG 3.07Å; R187-R191 PolarHBondContact O-N 2.89Å
188R95.9Very high92.7Very high169 Ų169106.7 Ų106.764%0.63851%0.509SS*.Hα-helixtrans-63.8-47.8175-172.8-177.9-68.5154.8-1.2111.3S184 S185 L186 R191 V192S184-R188 WeakPolarHBondContact O-CB 3.44Å; S184-R188 PolarHBondContact O-N 2.83Å; S185-R188 WeakPolarHBondContact O-CB 3.2Å; S185-R188 PolarHBondContact O-N 3.41Å; L186-R188 PolarHBondContact O-N 3.36Å; R188-R191 PolarHBondContact O-N 3.43Å; R188-V192 WeakPolarHBondContact O-CG2 3.4Å; R188-V192 PolarHBondContact O-N 3.32Å
189K96.3Very high93Very high126 Ų126108.6 Ų108.655%0.54852%0.516SS..Hα-helixtrans-58.2-51.5176.8-70.5177.4-178179.80111.6S185 L186 R191 V192 E193S185-K189 WeakPolarHBondContact O-CG 3.28Å; S185-K189 PolarHBondContact O-N 2.66Å; L186-K189 PolarHBondContact O-N 3.47Å; L186-K189 VanDerWaalsContact O-N 3.14Å; K189-R191 VanDerWaalsContact C-N 3.31Å; K189-R191 PolarHBondContact O-N 3.48Å; K189-V192 PolarHBondContact O-N 2.84Å; K189-E193 WeakPolarHBondContact O-CG 3.43Å; K189-E193 PolarHBondContact O-N 3.34Å
190F96.1Very high93.1Very high130 Ų130106.2 Ų106.257%0.5750%0.501SS*.Hα-helixtrans-61.8-35.8178.5-72.2-60.4000113.5L186 K194L186-F190 HydrophobicContact CB-CD2 4.49Å; L186-F190 HydrophobicContact CB-CE2 4.33Å; L186-F190 WeakPolarHBondContact O-CD2 3.34Å; L186-F190 PolarHBondContact O-N 3.13Å; F190-K194 WeakPolarHBondContact O-CB 3.33Å; F190-K194 PolarHBondContact O-N 2.84Å
191R95.9Very high93.1Very high171 Ų171104.1 Ų104.165%0.64549%0.493SS*.Hα-helixtrans-65.5-40174.6-76.5170.3-176.8176.81.3111.8R187 R188 K189 K195R187-R191 WeakPolarHBondContact O-CB 3.48Å; R187-R191 WeakPolarHBondContact O-CD 3.38Å; R187-R191 WeakPolarHBondContact O-CG 3.07Å; R187-R191 PolarHBondContact O-N 2.89Å; R188-R191 PolarHBondContact O-N 3.43Å; K189-R191 VanDerWaalsContact C-N 3.31Å; K189-R191 PolarHBondContact O-N 3.48Å; R191-K195 VanDerWaalsContact O-CG 3.28Å; R191-K195 WeakPolarHBondContact O-CG 3.49Å; R191-K195 PolarHBondContact O-N 3.24Å; R191-K195 VanDerWaalsContact O-N 3.14Å
192V96.6Very high93.1Very high84 Ų84104.5 Ų104.551%0.50950%0.495SS..Hα-helixtrans-68-49.7176.8173.10000110.2R188 K189 K194 K195 V196R188-V192 WeakPolarHBondContact O-CG2 3.4Å; R188-V192 PolarHBondContact O-N 3.32Å; K189-V192 PolarHBondContact O-N 2.84Å; V192-K194 VanDerWaalsContact C-N 3.34Å; V192-K194 PolarHBondContact O-N 3.02Å; V192-K195 WeakPolarHBondContact O-CB 3.48Å; V192-K195 PolarHBondContact O-N 2.83Å; V192-K195 VanDerWaalsContact O-N 3.13Å; V192-V196 WeakPolarHBondContact O-CG2 3.47Å; V192-V196 PolarHBondContact O-N 2.64Å
193E95.4Very high93.2Very high103 Ų103106.6 Ų106.648%0.48150%0.501SS..Hα-helixtrans-58.6-44.2177.8-71.7170.8-176.400111.9K189 K195 V196 L197K189-E193 WeakPolarHBondContact O-CG 3.43Å; K189-E193 PolarHBondContact O-N 3.34Å; E193-K195 VanDerWaalsContact C-N 3.33Å; E193-K195 PolarHBondContact O-N 2.78Å; E193-V196 PolarHBondContact O-N 2.69Å; E193-L197 WeakPolarHBondContact O-CG 3.3Å; E193-L197 PolarHBondContact O-N 2.87Å
194K95.2Very high93.1Very high160 Ų160103.9 Ų103.970%0.69649%0.487SS*.Hα-helixtrans-62.4-38.4176.6-174.3175-177.4177.90112.5F190 V192 A198F190-K194 WeakPolarHBondContact O-CB 3.33Å; F190-K194 PolarHBondContact O-N 2.84Å; V192-K194 VanDerWaalsContact C-N 3.34Å; V192-K194 PolarHBondContact O-N 3.02Å; K194-A198 VanDerWaalsContact O-CB 3.31Å; K194-A198 WeakPolarHBondContact O-CB 3.42Å; K194-A198 PolarHBondContact O-N 2.83Å
195K96.2Very high92.8Very high142 Ų142105.6 Ų105.662%0.61749%0.492SS*.Hα-helixtrans-64-47174.7-77.1177.1178.4-167.30111.1R191 V192 E193 L197 A198 E199R191-K195 VanDerWaalsContact O-CG 3.28Å; R191-K195 WeakPolarHBondContact O-CG 3.49Å; R191-K195 PolarHBondContact O-N 3.24Å; R191-K195 VanDerWaalsContact O-N 3.14Å; V192-K195 WeakPolarHBondContact O-CB 3.48Å; V192-K195 PolarHBondContact O-N 2.83Å; V192-K195 VanDerWaalsContact O-N 3.13Å; E193-K195 VanDerWaalsContact C-N 3.33Å; E193-K195 PolarHBondContact O-N 2.78Å; K195-L197 VanDerWaalsContact C-N 3.35Å; K195-L197 PolarHBondContact O-N 3.38Å; K195-A198 PolarHBondContact O-N 3.18Å; K195-E199 WeakPolarHBondContact O-CG 3.38Å; K195-E199 PolarHBondContact O-N 3.03Å
196V94.6Very high92.8Very high85 Ų85106.5 Ų106.552%0.51550%0.503SS..Hα-helixtrans-61.1-43.9178.6173.20000111.3V192 E193 E199 Q200V192-V196 WeakPolarHBondContact O-CG2 3.47Å; V192-V196 PolarHBondContact O-N 2.64Å; E193-V196 PolarHBondContact O-N 2.69Å; V196-E199 PolarHBondContact O-N 2.83Å; V196-Q200 WeakPolarHBondContact O-CB 3.37Å; V196-Q200 PolarHBondContact O-N 3.14Å
197L89.6Confident92.5Very high106 Ų106107.5 Ų107.556%0.55551%0.508SS*.Hα-helixtrans-64.4-43.9176.5-71.7173.6000112.1E193 K195 Q200 E201E193-L197 WeakPolarHBondContact O-CG 3.3Å; E193-L197 PolarHBondContact O-N 2.87Å; K195-L197 VanDerWaalsContact C-N 3.35Å; K195-L197 PolarHBondContact O-N 3.38Å; L197-Q200 PolarHBondContact O-N 3.16Å; L197-E201 WeakPolarHBondContact O-CG 3.45Å; L197-E201 PolarHBondContact O-N 2.91Å
198A92.9Very high92.2Very high37 Ų37102.5 Ų102.531%0.30649%0.49SS..Hα-helixtrans-62.3-44.317700000112K194 K195 Q200 E201 E202K194-A198 VanDerWaalsContact O-CB 3.31Å; K194-A198 WeakPolarHBondContact O-CB 3.42Å; K194-A198 PolarHBondContact O-N 2.83Å; K195-A198 PolarHBondContact O-N 3.18Å; A198-Q200 VanDerWaalsContact C-N 3.27Å; A198-Q200 PolarHBondContact O-N 2.9Å; A198-E201 PolarHBondContact O-N 2.96Å; A198-E202 WeakPolarHBondContact O-CB 3.42Å; A198-E202 WeakPolarHBondContact O-CG 3.27Å; A198-E202 PolarHBondContact O-N 3.5Å
199E93.5Very high91.8Very high102 Ų102101.5 Ų101.548%0.47749%0.494SS..Hα-helixtrans-61.4-35.8175-74.3175.1-158.800112.1K195 V196 K203K195-E199 WeakPolarHBondContact O-CG 3.38Å; K195-E199 PolarHBondContact O-N 3.03Å; V196-E199 PolarHBondContact O-N 2.83Å; E199-K203 WeakPolarHBondContact O-CD 3.38Å; E199-K203 VanDerWaalsContact O-CG 3.26Å; E199-K203 WeakPolarHBondContact O-CG 3.49Å; E199-K203 PolarHBondContact O-N 3.36Å
200Q88.5Confident91.4Very high61 Ų61106 Ų10629%0.28551%0.508SS..Hα-helixtrans-70.8-44.6175.8-169.762.73200111.5V196 L197 A198 E202 K203 D204V196-Q200 WeakPolarHBondContact O-CB 3.37Å; V196-Q200 PolarHBondContact O-N 3.14Å; L197-Q200 PolarHBondContact O-N 3.16Å; A198-Q200 VanDerWaalsContact C-N 3.27Å; A198-Q200 PolarHBondContact O-N 2.9Å; Q200-E202 VanDerWaalsContact C-N 3.31Å; Q200-E202 PolarHBondContact O-N 3.06Å; Q200-K203 PolarHBondContact O-N 3.06Å; Q200-D204 PolarHBondContact NE2-OD1 2.99Å; Q200-D204 VanDerWaalsContact NE2-OD1 3.16Å; Q200-D204 WeakPolarHBondContact O-CB 3.22Å; Q200-D204 PolarHBondContact O-N 3.16Å
201E88.9Confident90.9Very high118 Ų118102.5 Ų102.555%0.55150%0.503SS*.Hα-helixtrans-61.4-38.2176-74.2175.6-17100112.1L197 A198 D204 N205L197-E201 WeakPolarHBondContact O-CG 3.45Å; L197-E201 PolarHBondContact O-N 2.91Å; A198-E201 PolarHBondContact O-N 2.96Å; E201-D204 PolarHBondContact O-N 3.37Å; E201-N205 VanDerWaalsContact O-CB 3.24Å; E201-N205 WeakPolarHBondContact O-CB 3.36Å; E201-N205 PolarHBondContact O-N 3.39Å; E201-N205 PolarHBondContact O-ND2 3.18Å; E201-N205 VanDerWaalsContact O-ND2 3.15Å
202E90.9Very high90.4Very high136 Ų136101.3 Ų101.364%0.63651%0.509SS*.Hα-helixtrans-63.3-45.2174.3-76.6177-171.900111.9A198 Q200 N205 A206A198-E202 WeakPolarHBondContact O-CB 3.42Å; A198-E202 WeakPolarHBondContact O-CG 3.27Å; A198-E202 PolarHBondContact O-N 3.5Å; Q200-E202 VanDerWaalsContact C-N 3.31Å; Q200-E202 PolarHBondContact O-N 3.06Å; E202-N205 PolarHBondContact O-N 3.24Å; E202-A206 WeakPolarHBondContact O-CB 3.41Å; E202-A206 PolarHBondContact O-N 2.86Å
203K89.1Confident89.8Confident115 Ų115101.4 Ų101.450%0.551%0.506SS..Hα-helixtrans-61.6-45.9174.8-71167.2-169.2166.80111.3E199 Q200 N205 A206 L207E199-K203 WeakPolarHBondContact O-CD 3.38Å; E199-K203 VanDerWaalsContact O-CG 3.26Å; E199-K203 WeakPolarHBondContact O-CG 3.49Å; E199-K203 PolarHBondContact O-N 3.36Å; Q200-K203 PolarHBondContact O-N 3.06Å; K203-N205 PolarHBondContact O-N 3.41Å; K203-A206 PolarHBondContact O-N 2.89Å; K203-L207 WeakPolarHBondContact O-CG 3.44Å; K203-L207 PolarHBondContact O-N 2.64Å
204D88.6Confident89.1Confident22 Ų22102.4 Ų102.412%0.11853%0.525CS..Hα-helixtrans-64.1-41.8179.7-72.3-1000111.4Q200 E201 L207 K208 L217Q200-D204 PolarHBondContact NE2-OD1 2.99Å; Q200-D204 VanDerWaalsContact NE2-OD1 3.16Å; Q200-D204 WeakPolarHBondContact O-CB 3.22Å; Q200-D204 PolarHBondContact O-N 3.16Å; E201-D204 PolarHBondContact O-N 3.37Å; D204-L207 PolarHBondContact O-N 3.11Å; D204-K208 WeakPolarHBondContact O-CG 3.25Å; D204-K208 PolarHBondContact O-N 2.88Å; D204-L217 HydrophobicContact CB-CD1 3.95Å; D204-L217 WeakPolarHBondContact O-CD1 3.42Å
205N87.9Confident88.6Confident82 Ų82100 Ų10044%0.43952%0.518SS..Hα-helixtrans-67-40176.2-73.5-26.4000111.7E201 E202 K203 L207 K208 M209E201-N205 VanDerWaalsContact O-CB 3.24Å; E201-N205 WeakPolarHBondContact O-CB 3.36Å; E201-N205 PolarHBondContact O-N 3.39Å; E201-N205 PolarHBondContact O-ND2 3.18Å; E201-N205 VanDerWaalsContact O-ND2 3.15Å; E202-N205 PolarHBondContact O-N 3.24Å; K203-N205 PolarHBondContact O-N 3.41Å; N205-L207 VanDerWaalsContact C-N 3.31Å; N205-L207 PolarHBondContact O-N 3.15Å; N205-K208 PolarHBondContact O-N 2.81Å; N205-M209 WeakPolarHBondContact O-CB 3.28Å; N205-M209 VanDerWaalsContact O-CG 3.27Å; N205-M209 WeakPolarHBondContact O-CG 3.35Å; N205-M209 PolarHBondContact O-N 2.78Å
206A90.4Very high88Confident63 Ų6398.2 Ų98.252%0.52152%0.522SS..Hα-helixtrans-60.6-40.5173.900000111.9E202 K203 R210E202-A206 WeakPolarHBondContact O-CB 3.41Å; E202-A206 PolarHBondContact O-N 2.86Å; K203-A206 PolarHBondContact O-N 2.89Å; A206-R210 WeakPolarHBondContact O-CB 3.41Å; A206-R210 PolarHBondContact O-N 2.84Å
207L86.3Confident87.4Confident88 Ų8897.2 Ų97.246%0.46151%0.513SS..Hα-helixtrans-65.7-44.8174.2-70.7173.6000112.2K203 D204 N205 M209 R210 A211 L217K203-L207 WeakPolarHBondContact O-CG 3.44Å; K203-L207 PolarHBondContact O-N 2.64Å; D204-L207 PolarHBondContact O-N 3.11Å; N205-L207 VanDerWaalsContact C-N 3.31Å; N205-L207 PolarHBondContact O-N 3.15Å; L207-M209 VanDerWaalsContact C-N 3.34Å; L207-M209 PolarHBondContact O-N 2.85Å; L207-R210 PolarHBondContact O-N 3.46Å; L207-A211 VanDerWaalsContact O-CB 3.3Å; L207-A211 WeakPolarHBondContact O-CB 3.38Å; L207-A211 PolarHBondContact O-N 2.82Å; L207-L217 HydrophobicContact CB-CD1 4.26Å
208K86.8Confident87.3Confident52 Ų5299.3 Ų99.323%0.22652%0.524CS..Hα-helixtrans-59-43.3175.5-73.9175-166.4167.20112.1D204 N205 A211 N212 L213 I215 L217D204-K208 WeakPolarHBondContact O-CG 3.25Å; D204-K208 PolarHBondContact O-N 2.88Å; N205-K208 PolarHBondContact O-N 2.81Å; K208-A211 CarbonylContact O-C 3.51Å; K208-A211 PolarHBondContact O-N 2.8Å; K208-N212 VanDerWaalsContact O-CA 3.26Å; K208-N212 WeakPolarHBondContact O-CA 2.91Å; K208-N212 PolarHBondContact O-N 2.99Å; K208-L213 PolarHBondContact O-N 3.04Å; K208-I215 VanDerWaalsContact CE-O 3.3Å; K208-I215 WeakPolarHBondContact CE-O 3.48Å; K208-L217 HydrophobicContact CG-CD1 3.95Å; K208-L217 HydrophobicContact CG-CG 4.16Å
209M87.7Confident86.9Confident148 Ų148102.6 Ų102.673%0.72954%0.542SS*.Hα-helixtrans-66.9-42.4177.9-69-59.8-70.100111.7N205 L207 A211N205-M209 WeakPolarHBondContact O-CB 3.28Å; N205-M209 VanDerWaalsContact O-CG 3.27Å; N205-M209 WeakPolarHBondContact O-CG 3.35Å; N205-M209 PolarHBondContact O-N 2.78Å; L207-M209 VanDerWaalsContact C-N 3.34Å; L207-M209 PolarHBondContact O-N 2.85Å; M209-A211 VanDerWaalsContact C-N 3.32Å; M209-A211 PolarHBondContact O-N 2.62Å
210R88.8Confident86.4Confident222 Ų222103 Ų10384%0.83854%0.544SS*.Hα-helixtrans-64.8-36.4176.8-178.4178.4163.6119.6-1.7112.4A206 L207A206-R210 WeakPolarHBondContact O-CB 3.41Å; A206-R210 PolarHBondContact O-N 2.84Å; L207-R210 PolarHBondContact O-N 3.46Å
211A86Confident86.5Confident55 Ų55106.6 Ų106.646%0.45556%0.559SS.*Hα-helixtrans-96.5-4.3-176.700000114.2L207 K208 M209 L213L207-A211 VanDerWaalsContact O-CB 3.3Å; L207-A211 WeakPolarHBondContact O-CB 3.38Å; L207-A211 PolarHBondContact O-N 2.82Å; K208-A211 CarbonylContact O-C 3.51Å; K208-A211 PolarHBondContact O-N 2.8Å; M209-A211 VanDerWaalsContact C-N 3.32Å; M209-A211 PolarHBondContact O-N 2.62Å; A211-L213 VanDerWaalsContact C-N 3.3Å; A211-L213 HydrophobicContact CB-CD1 3.66Å; A211-L213 HydrophobicContact CB-CG 3.73Å; A211-L213 PolarHBondContact O-N 3.31Å
212N85.4Confident86.6Confident146 Ų146108 Ų10878%0.78157%0.565SS**THydrogen-bonded Turntrans50.744.9-171.9-58.7-63.3000113.2K208K208-N212 VanDerWaalsContact O-CA 3.26Å; K208-N212 WeakPolarHBondContact O-CA 2.91Å; K208-N212 PolarHBondContact O-N 2.99Å
213L83.8Confident86.5Confident86 Ų86108.7 Ų108.745%0.4557%0.568SS.*  trans-100.9130.8-178.7-65171.5000111.2K208 A211K208-L213 PolarHBondContact O-N 3.04Å; A211-L213 VanDerWaalsContact C-N 3.3Å; A211-L213 HydrophobicContact CB-CD1 3.66Å; A211-L213 HydrophobicContact CB-CG 3.73Å; A211-L213 PolarHBondContact O-N 3.31Å
214S80.8Confident86.4Confident125 Ų125107.7 Ų107.787%0.87457%0.569SS**  trans-991617856.30000114
215I85Confident86.3Confident108 Ų108112.1 Ų112.155%0.55459%0.587SS**SBendtrans-102.4140.4-171.8-54.2170.7000109.4K208 L217K208-I215 VanDerWaalsContact CE-O 3.3Å; K208-I215 WeakPolarHBondContact CE-O 3.48Å; I215-L217 PolarHBondContact O-N 3.09Å
216P82.1Confident86.3Confident106 Ų106115 Ų11569%0.68860%0.595SS**PPolyproline II helixtrans-61.8125.9171.325.5-33.9000110.5
217L83.4Confident86.1Confident63 Ų63117.1 Ų117.133%0.3360%0.597SS.*PPolyproline II helixtrans-80.3142.6177.4-64.5-179.7000109.7D204 L207 K208 I215D204-L217 HydrophobicContact CB-CD1 3.95Å; D204-L217 WeakPolarHBondContact O-CD1 3.42Å; L207-L217 HydrophobicContact CB-CD1 4.26Å; K208-L217 HydrophobicContact CG-CD1 3.95Å; K208-L217 HydrophobicContact CG-CG 4.16Å; I215-L217 PolarHBondContact O-N 3.09Å
218L87Confident86Confident151 Ų151115.5 Ų115.579%0.79160%0.597SS**PPolyproline II helixtrans-90.5154.9175.1-72.5170.3000109.8
219P84.3Confident85.9Confident105 Ų105114.3 Ų114.368%0.68260%0.599SS**PPolyproline II helixtrans-60.7139.4175.525.4-34.4000111.1K221P219-K221 PolarHBondContact O-N 3.32Å
220E83.8Confident85.6Confident112 Ų112113.2 Ų113.252%0.52360%0.596SS.*PPolyproline II helixtrans-63.9123.7-178.9-58.1178.7158.100111.1K225E220-K225 VanDerWaalsContact CB-CE 3.45Å; E220-K225 WeakPolarHBondContact OE2-CE 3.36Å; E220-K225 IonicContact OE2-NZ 3.83Å; E220-K225 PolarHBondContact OE2-NZ 3.21Å
221K90.6Very high84.9Confident136 Ų136107.6 Ų107.659%0.59158%0.582SS**PPolyproline II helixtrans-89.3148.2170.4-64.8-177.2177.1-178.50110.8P219 E223 D224 K225P219-K221 PolarHBondContact O-N 3.32Å; K221-E223 VanDerWaalsContact C-N 3.26Å; K221-E223 PolarHBondContact O-N 2.85Å; K221-D224 PolarHBondContact O-N 2.98Å; K221-K225 PolarHBondContact O-N 2.77Å
222E90.1Very high84.1Confident146 Ų146110.2 Ų110.268%0.68259%0.592SS**Hα-helixtrans-63.6-31.8179.7-61.8-170.4173.500113.3K225 K226E222-K225 PolarHBondContact O-N 2.95Å; E222-K226 WeakPolarHBondContact O-CG 3.34Å; E222-K226 PolarHBondContact O-N 2.76Å
223E89.7Confident83.1Confident151 Ų151113.2 Ų113.271%0.70659%0.594SS**Hα-helixtrans-63-45175.8-63.5174.4-174.400111.1K221 K225 K226 L227K221-E223 VanDerWaalsContact C-N 3.26Å; K221-E223 PolarHBondContact O-N 2.85Å; E223-K225 VanDerWaalsContact C-N 3.34Å; E223-K225 PolarHBondContact O-N 3.04Å; E223-K226 PolarHBondContact O-N 2.9Å; E223-L227 PolarHBondContact O-N 3.41Å
224D86.3Confident82Confident94 Ų94115.9 Ų115.950%0.50360%0.604SS.*Hα-helixtrans-65.8-37.6179.6-61.4-26.7000111.3K221 K226 L227 A228K221-D224 PolarHBondContact O-N 2.98Å; D224-K226 PolarHBondContact O-N 2.81Å; D224-L227 PolarHBondContact O-N 2.96Å; D224-A228 VanDerWaalsContact O-CB 3.27Å; D224-A228 WeakPolarHBondContact O-CB 3.39Å; D224-A228 PolarHBondContact O-N 2.99Å
225K87.3Confident81Confident115 Ų115115.5 Ų115.550%0.560%0.597SS.*Hα-helixtrans-60.5-43.7173.9-68.2-176.5-175.3-163.70112E220 K221 E222 E223 G229E220-K225 VanDerWaalsContact CB-CE 3.45Å; E220-K225 WeakPolarHBondContact OE2-CE 3.36Å; E220-K225 IonicContact OE2-NZ 3.83Å; E220-K225 PolarHBondContact OE2-NZ 3.21Å; K221-K225 PolarHBondContact O-N 2.77Å; E222-K225 PolarHBondContact O-N 2.95Å; E223-K225 VanDerWaalsContact C-N 3.34Å; E223-K225 PolarHBondContact O-N 3.04Å; K225-G229 PolarHBondContact O-N 3.45Å
226K87.6Confident79.8Confident143 Ų143115.9 Ų115.962%0.62261%0.606SS**Hα-helixtrans-65.2-45.3179.3-70.7170.1-175.4170.40111.1E222 E223 D224 G229 L230E222-K226 WeakPolarHBondContact O-CG 3.34Å; E222-K226 PolarHBondContact O-N 2.76Å; E223-K226 PolarHBondContact O-N 2.9Å; D224-K226 PolarHBondContact O-N 2.81Å; K226-G229 PolarHBondContact O-N 2.8Å; K226-L230 WeakPolarHBondContact O-CG 3.35Å; K226-L230 PolarHBondContact O-N 2.84Å
227L86.3Confident78.6Confident107 Ų107114.7 Ų114.756%0.5659%0.594SS**Hα-helixtrans-63.9-45.7177.9-174.168.9000111.8E223 D224 G229 L230 L231E223-L227 PolarHBondContact O-N 3.41Å; D224-L227 PolarHBondContact O-N 2.96Å; L227-G229 VanDerWaalsContact C-N 3.32Å; L227-G229 PolarHBondContact O-N 2.84Å; L227-L230 PolarHBondContact O-N 3.36Å; L227-L231 HydrophobicContact CG-CD1 4.4Å; L227-L231 WeakPolarHBondContact O-CG 3.44Å; L227-L231 PolarHBondContact O-N 2.98Å; L227-L231 VanDerWaalsContact O-N 3.14Å
228A83.3Confident77.9Confident54 Ų54115 Ų11545%0.44660%0.602SS.*Hα-helixtrans-60.6-42177.200000111.8D224 L230 L231 T232D224-A228 VanDerWaalsContact O-CB 3.27Å; D224-A228 WeakPolarHBondContact O-CB 3.39Å; D224-A228 PolarHBondContact O-N 2.99Å; A228-L230 PolarHBondContact O-N 3.43Å; A228-L231 PolarHBondContact O-N 3.46Å; A228-L231 VanDerWaalsContact O-N 3.16Å; A228-T232 PolarHBondContact O-N 3.02Å; A228-T232 PolarHBondContact O-OG1 2.87Å
229G84.4Confident77.1Confident27 Ų27116.4 Ų116.428%0.27860%0.598SS.*Hα-helixtrans-56.4-46.4174.900000112.7K225 K226 L227 L231 T232 Y233K225-G229 PolarHBondContact O-N 3.45Å; K226-G229 PolarHBondContact O-N 2.8Å; L227-G229 VanDerWaalsContact C-N 3.32Å; L227-G229 PolarHBondContact O-N 2.84Å; G229-L231 VanDerWaalsContact C-N 3.33Å; G229-L231 PolarHBondContact O-N 3.01Å; G229-T232 WeakPolarHBondContact CA-OG1 3.38Å; G229-T232 PolarHBondContact O-N 2.91Å; G229-T232 PolarHBondContact O-OG1 3.05Å; G229-Y233 WeakPolarHBondContact O-CD2 3.48Å
230L82Confident76.6Confident125 Ų125116.2 Ų116.265%0.65459%0.588SS**Hα-helixtrans-61.8-38176.3-67.6174.6000112.7K226 L227 A228K226-L230 WeakPolarHBondContact O-CG 3.35Å; K226-L230 PolarHBondContact O-N 2.84Å; L227-L230 PolarHBondContact O-N 3.36Å; A228-L230 PolarHBondContact O-N 3.43Å
231L74.1Confident76.1Confident105 Ų105114.9 Ų114.955%0.5558%0.584SS.*Hα-helixtrans-69.8-35.6179.3-71.6167.7000113.1L227 A228 G229 Y233 Q234L227-L231 HydrophobicContact CG-CD1 4.4Å; L227-L231 WeakPolarHBondContact O-CG 3.44Å; L227-L231 PolarHBondContact O-N 2.98Å; L227-L231 VanDerWaalsContact O-N 3.14Å; A228-L231 PolarHBondContact O-N 3.46Å; A228-L231 VanDerWaalsContact O-N 3.16Å; G229-L231 VanDerWaalsContact C-N 3.33Å; G229-L231 PolarHBondContact O-N 3.01Å; L231-Y233 PolarHBondContact O-N 2.79Å; L231-Q234 PolarHBondContact O-N 2.82Å; L231-Q234 VanDerWaalsContact O-N 3.08Å
232T69.1Low75.3Confident109 Ų109114.2 Ų114.267%0.66958%0.581SS**Hα-helixtrans-61.1-25.1178.316.20000114.3A228 G229A228-T232 PolarHBondContact O-N 3.02Å; A228-T232 PolarHBondContact O-OG1 2.87Å; G229-T232 WeakPolarHBondContact CA-OG1 3.38Å; G229-T232 PolarHBondContact O-N 2.91Å; G229-T232 PolarHBondContact O-OG1 3.05Å
233Y64.3Low74.8Confident209 Ų209112.3 Ų112.382%0.8257%0.568SS**THydrogen-bonded Turntrans-89.7-5.7177.8-65.6-72000113.7G229 L231G229-Y233 WeakPolarHBondContact O-CD2 3.48Å; L231-Y233 PolarHBondContact O-N 2.79Å
234Q61.2Low74.4Confident142 Ų142109.7 Ų109.766%0.66456%0.556SS**  trans-107.787.3179.2-153.3166.520.200108.9L231 P236L231-Q234 PolarHBondContact O-N 2.82Å; L231-Q234 VanDerWaalsContact O-N 3.08Å; Q234-P236 VanDerWaalsContact O-CD 3.28Å; Q234-P236 WeakPolarHBondContact O-CD 2.7Å
235T60.3Low74.2Confident117 Ų117108.7 Ų108.772%0.71856%0.556SS**  trans-64116.5165.144.40000107.3D237T235-D237 PolarHBondContact O-N 2.97Å
236P58.2Low73.9Confident117 Ų117110 Ų11076%0.7656%0.561SS**SBendtrans-72.1-6.7-165.124.9-32000114.3Q234Q234-P236 VanDerWaalsContact O-CD 3.28Å; Q234-P236 WeakPolarHBondContact O-CD 2.7Å
237D56.9Low73.8Confident81 Ų81109.4 Ų109.443%0.43356%0.555SS.*  trans-150.9123171.4-61.7-64.4000110.5T235 D241 K242T235-D237 PolarHBondContact O-N 2.97Å; D237-D241 HydrophobicContact CB-CB 4.32Å; D237-K242 HydrophobicContact CB-CD 4.29Å; D237-K242 HydrophobicContact CB-CG 3.69Å
238S68.8Low73.6Confident69 Ų69110.5 Ų110.548%0.48356%0.556SS.*  trans-59.7151.4163.6179.90000109.5E240 D241 K242S238-E240 PolarHBondContact O-N 3Å; S238-D241 PolarHBondContact O-N 3Å; S238-K242 PolarHBondContact O-N 3.33Å
239Y71.1Confident73.7Confident181 Ų181113.7 Ų113.771%0.7156%0.561SS**Hα-helixtrans-50.4-34.7177.6174.1-96.1000112.5R243Y239-R243 WeakPolarHBondContact O-CB 3.24Å; Y239-R243 PolarHBondContact O-N 2.69Å; Y239-R243 VanDerWaalsContact O-N 3.12Å
240E73.1Confident73.4Confident100 Ų100117.8 Ų117.847%0.46758%0.576SS.*Hα-helixtrans-69.5-35.1177.3-73.6-62.2160.600113.5S238 R243 H244S238-E240 PolarHBondContact O-N 3Å; E240-R243 WeakPolarHBondContact O-CB 2.95Å; E240-R243 PolarHBondContact O-N 3.08Å; E240-R243 IonicContact OE1-NH1 3.62Å; E240-R243 IonicContact OE2-NH1 2.66Å; E240-H244 WeakPolarHBondContact O-CB 3.26Å; E240-H244 PolarHBondContact O-N 3.42Å
241D72.6Confident73.3Confident85 Ų85116 Ų11646%0.45558%0.579SS.*Hα-helixtrans-69.1-39.8177.6-69.4-42.6000111.4D237 S238 R243 H244 S245D237-D241 HydrophobicContact CB-CB 4.32Å; S238-D241 PolarHBondContact O-N 3Å; D241-R243 VanDerWaalsContact C-N 3.27Å; D241-R243 PolarHBondContact O-N 3.39Å; D241-H244 PolarHBondContact O-N 3.2Å; D241-S245 PolarHBondContact O-N 2.99Å; D241-S245 PolarHBondContact O-OG 2.81Å
242K75.3Confident73.6Confident122 Ų122115.7 Ų115.753%0.5359%0.585SS.*Hα-helixtrans-62.3-37.1172.1-63.2-173-173.6179.30111.8D237 S238 K246D237-K242 HydrophobicContact CB-CD 4.29Å; D237-K242 HydrophobicContact CB-CG 3.69Å; S238-K242 PolarHBondContact O-N 3.33Å; K242-K246 WeakPolarHBondContact O-CB 3.39Å; K242-K246 PolarHBondContact O-N 2.75Å
243R79.5Confident74Confident105 Ų105119.3 Ų119.340%0.39659%0.587SS.*Hα-helixtrans-68.1-40.5176.5-166.4-175.8-175.7-155.57111.3Y239 E240 D241 K246 R247Y239-R243 WeakPolarHBondContact O-CB 3.24Å; Y239-R243 PolarHBondContact O-N 2.69Å; Y239-R243 VanDerWaalsContact O-N 3.12Å; E240-R243 WeakPolarHBondContact O-CB 2.95Å; E240-R243 PolarHBondContact O-N 3.08Å; E240-R243 IonicContact OE1-NH1 3.62Å; E240-R243 IonicContact OE2-NH1 2.66Å; D241-R243 VanDerWaalsContact C-N 3.27Å; D241-R243 PolarHBondContact O-N 3.39Å; R243-K246 PolarHBondContact O-N 3.42Å; R243-R247 VanDerWaalsContact NH2-NH2 3.12Å; R243-R247 WeakPolarHBondContact O-CG 3.44Å; R243-R247 PolarHBondContact O-N 2.81Å
244H79.8Confident74.7Confident97 Ų97114 Ų11445%0.44958%0.58SS.*Hα-helixtrans-68.4-42.4178.5-166.1-112.5000112E240 D241 R247 K248E240-H244 WeakPolarHBondContact O-CB 3.26Å; E240-H244 PolarHBondContact O-N 3.42Å; D241-H244 PolarHBondContact O-N 3.2Å; H244-R247 PolarHBondContact O-N 2.89Å; H244-K248 WeakPolarHBondContact CE1-CE 3.12Å; H244-K248 PolarHBondContact O-N 2.89Å
245S82.6Confident74.9Confident73 Ų73119 Ų11951%0.5159%0.593SS.*Hα-helixtrans-62.9-42.9173.1-68.50000112.1D241 R247 K248 E249D241-S245 PolarHBondContact O-N 2.99Å; D241-S245 PolarHBondContact O-OG 2.81Å; S245-R247 VanDerWaalsContact C-N 3.34Å; S245-R247 PolarHBondContact O-N 2.82Å; S245-K248 PolarHBondContact O-N 2.74Å; S245-E249 WeakPolarHBondContact O-CB 3.12Å; S245-E249 PolarHBondContact O-N 2.66Å
246K82.3Confident75Confident142 Ų142121.5 Ų121.562%0.61759%0.594SS**Hα-helixtrans-60-41.1171.5-99.4-179.2175.1176.30112.7K242 R243 E249 I250K242-K246 WeakPolarHBondContact O-CB 3.39Å; K242-K246 PolarHBondContact O-N 2.75Å; R243-K246 PolarHBondContact O-N 3.42Å; K246-E249 PolarHBondContact O-N 2.89Å; K246-I250 WeakPolarHBondContact O-CB 3.41Å; K246-I250 WeakPolarHBondContact O-CD1 3.4Å; K246-I250 WeakPolarHBondContact O-CG1 3.42Å; K246-I250 PolarHBondContact O-N 3.19Å
247R84.4Confident75Confident131 Ų131123.3 Ų123.349%0.49460%0.597SS.*Hα-helixtrans-65.2-40.5176.7-78.6176.7176.5172.2-3.8112R243 H244 S245 I250 A251R243-R247 VanDerWaalsContact NH2-NH2 3.12Å; R243-R247 WeakPolarHBondContact O-CG 3.44Å; R243-R247 PolarHBondContact O-N 2.81Å; H244-R247 PolarHBondContact O-N 2.89Å; S245-R247 VanDerWaalsContact C-N 3.34Å; S245-R247 PolarHBondContact O-N 2.82Å; R247-I250 PolarHBondContact O-N 3.01Å; R247-A251 VanDerWaalsContact O-CB 3.29Å; R247-A251 WeakPolarHBondContact O-CB 3.38Å; R247-A251 PolarHBondContact O-N 3.03Å
248K83.1Confident74.8Confident130 Ų130125.1 Ų125.157%0.56561%0.612SS**Hα-helixtrans-64.5-39.7173.5-76.5179.9172.2176.40112.1H244 S245 A251 S252H244-K248 WeakPolarHBondContact CE1-CE 3.12Å; H244-K248 PolarHBondContact O-N 2.89Å; S245-K248 PolarHBondContact O-N 2.74Å; K248-A251 PolarHBondContact O-N 3.49Å; K248-S252 WeakPolarHBondContact O-CB 3.19Å; K248-S252 PolarHBondContact O-N 3.09Å; K248-S252 PolarHBondContact O-OG 3.23Å
249E83.6Confident74Confident120 Ų120127.1 Ų127.156%0.56163%0.625SS**Hα-helixtrans-64.7-42.1174.6-166.9-177.6-175.500111.4S245 K246 S252 R253S245-E249 WeakPolarHBondContact O-CB 3.12Å; S245-E249 PolarHBondContact O-N 2.66Å; K246-E249 PolarHBondContact O-N 2.89Å; E249-S252 WeakPolarHBondContact CA-OG 3.3Å; E249-S252 PolarHBondContact O-N 3.1Å; E249-S252 PolarHBondContact O-OG 3.29Å; E249-R253 WeakPolarHBondContact O-CG 3.15Å; E249-R253 PolarHBondContact O-N 3.09Å
250I79.4Confident72.7Confident114 Ų114123.4 Ų123.459%0.58563%0.626SS**Hα-helixtrans-65.8-42.6175.2-67.1161.5000111.1K246 R247 S252 R253K246-I250 WeakPolarHBondContact O-CB 3.41Å; K246-I250 WeakPolarHBondContact O-CD1 3.4Å; K246-I250 WeakPolarHBondContact O-CG1 3.42Å; K246-I250 PolarHBondContact O-N 3.19Å; R247-I250 PolarHBondContact O-N 3.01Å; I250-S252 VanDerWaalsContact C-N 3.29Å; I250-S252 PolarHBondContact O-N 3.48Å; I250-R253 PolarHBondContact O-N 3.29Å
251A80.5Confident71.2Confident88 Ų88124.9 Ų124.973%0.72764%0.642SS**Hα-helixtrans-68-28.117900000113.1R247 K248R247-A251 VanDerWaalsContact O-CB 3.29Å; R247-A251 WeakPolarHBondContact O-CB 3.38Å; R247-A251 PolarHBondContact O-N 3.03Å; K248-A251 PolarHBondContact O-N 3.49Å
252S80.3Confident70.2Confident97 Ų97126.5 Ų126.568%0.67866%0.657SS**Hα-helixtrans-90.5-7.5176.855.10000113.7K248 E249 I250 S254K248-S252 WeakPolarHBondContact O-CB 3.19Å; K248-S252 PolarHBondContact O-N 3.09Å; K248-S252 PolarHBondContact O-OG 3.23Å; E249-S252 WeakPolarHBondContact CA-OG 3.3Å; E249-S252 PolarHBondContact O-N 3.1Å; E249-S252 PolarHBondContact O-OG 3.29Å; I250-S252 VanDerWaalsContact C-N 3.29Å; I250-S252 PolarHBondContact O-N 3.48Å; S252-S254 PolarHBondContact O-N 3.48Å
253R77.4Confident68.2Low186 Ų186125.9 Ų125.970%0.70268%0.675SS**SBendtrans-71.2127.7168.9-82.6172.5101.4162.24.3109.5E249 I250 W255E249-R253 WeakPolarHBondContact O-CG 3.15Å; E249-R253 PolarHBondContact O-N 3.09Å; I250-R253 PolarHBondContact O-N 3.29Å; R253-W255 PolarHBondContact O-N 3.17Å
254S77.7Confident66.1Low96 Ų96124.8 Ų124.867%0.67170%0.696SS**  trans-56.6129.8171.8173.30000110.5S252 F256S252-S254 PolarHBondContact O-N 3.48Å; S254-F256 VanDerWaalsContact C-N 3.26Å; S254-F256 PolarHBondContact O-N 3.08Å; S254-F256 PolarHBondContact OG-N 3.09Å
255W66.1Low64.2Low247 Ų247123.4 Ų123.494%0.93671%0.708SS**SBendtrans-73.5-19179-158.2-74.7000112.7R253 N257R253-W255 PolarHBondContact O-N 3.17Å; W255-N257 PolarHBondContact O-N 2.73Å
256F61.4Low62.7Low170 Ų170124.3 Ų124.375%0.74672%0.72SS**SBendtrans-89.1110.3178.5-66.5-77.6000110.2S254 T258S254-F256 VanDerWaalsContact C-N 3.26Å; S254-F256 PolarHBondContact O-N 3.08Å; S254-F256 PolarHBondContact OG-N 3.09Å; F256-T258 PolarHBondContact O-N 3.26Å
257N58.1Low61.3Low155 Ų155120.7 Ų120.783%0.82972%0.717SS**  trans-68.494170-157.632.4000107.8W255 S259W255-N257 PolarHBondContact O-N 2.73Å; N257-S259 VanDerWaalsContact C-N 3.32Å; N257-S259 PolarHBondContact O-N 3.5Å
258T53.6Low59.7Low119 Ų119117 Ų11773%0.7372%0.719SS**  trans-6799.3169530000107.4F256 S260F256-T258 PolarHBondContact O-N 3.26Å; T258-S260 VanDerWaalsContact C-N 3.27Å; T258-S260 PolarHBondContact O-N 2.86Å
259S51.5Low58.5Low111 Ų111114.9 Ų114.978%0.77672%0.721SS**  trans-64.688.4167.9540000109.1N257N257-S259 VanDerWaalsContact C-N 3.32Å; N257-S259 PolarHBondContact O-N 3.5Å
260S44Very low57.1Low104 Ų104114.7 Ų114.773%0.72772%0.723SS**  trans-126.888.5155.364.80000107.8T258T258-S260 VanDerWaalsContact C-N 3.27Å; T258-S260 PolarHBondContact O-N 2.86Å
261T41.2Very low56Low131 Ų131115.1 Ų115.180%0.80473%0.726SS**  trans-91.3162165.544.50000109.5
262P52.6Low54.8Low119 Ų119117.6 Ų117.677%0.77372%0.722SS**  -134.7146.1-54.934.5-18.2000111
263A32.8Very low53.6Low109 Ų109120.4 Ų120.490%0.90172%0.722SS**  trans-159.9113.415800000111.2
264G35Very low52.6Low81 Ų81116.6 Ų116.684%0.83572%0.715SS**  trans106.885150.600000118.5
265G41.5Very low51.4Low68 Ų68115.7 Ų115.770%0.70171%0.709SS**  trans84.7146.2130.300000119.6A267G265-A267 PolarHBondContact O-N 3.22Å
266A51.1Low51Low93 Ų93109.5 Ų109.577%0.76969%0.693SS**THydrogen-bonded Turntrans-57.93.6-178.800000116.6
267A51.3Low50.6Low66 Ų66108.4 Ų108.455%0.54569%0.691SS.*Hα-helixtrans-80.9-26.2-179.400000113.8G265 S269 L270G265-A267 PolarHBondContact O-N 3.22Å; A267-S269 PolarHBondContact O-N 3.1Å; A267-L270 PolarHBondContact O-N 3.49Å
268G52.4Low50.1Low53 Ų53103.2 Ų103.255%0.54667%0.674SS.*Hα-helixtrans-70.8-28.2-17700000114.9
269S57.2Low49.9Very low86 Ų86104.6 Ų104.660%0.60167%0.67SS**Hα-helixtrans-76.6-30179.2-176.80000112.8A267 K273A267-S269 PolarHBondContact O-N 3.1Å; S269-K273 PolarHBondContact O-N 2.84Å
270L53.4Low49.6Very low115 Ų115107.4 Ų107.460%0.60267%0.671SS**Hα-helixtrans-71.7-37.5177.3-84.8161.8000112.3A267 H272 K273 L274A267-L270 PolarHBondContact O-N 3.49Å; L270-H272 PolarHBondContact O-N 3.13Å; L270-K273 PolarHBondContact O-N 3.03Å; L270-L274 WeakPolarHBondContact O-CG 3.36Å; L270-L274 PolarHBondContact O-N 3.33Å; L270-L274 VanDerWaalsContact O-N 3.07Å
271L56.3Low49.9Very low123 Ų123106 Ų10664%0.64467%0.665SS**Hα-helixtrans-67.4-32.9179.6-76.9165.9000113.1S275L271-S275 PolarHBondContact O-N 3.38Å
272H55.6Low49.9Very low140 Ų140102.9 Ų102.965%0.64865%0.653SS**Hα-helixtrans-74.9-31.3177.4-141.6-77.7000112.7L270L270-H272 PolarHBondContact O-N 3.13Å
273K56.2Low49.6Very low156 Ų156102.9 Ų102.968%0.67865%0.651SS**Hα-helixtrans-72.8-35.8173.3-87.6-177.4173.9-179.70112.9S269 L270 Q277S269-K273 PolarHBondContact O-N 2.84Å; L270-K273 PolarHBondContact O-N 3.03Å; K273-Q277 PolarHBondContact O-N 2.78Å
274L55.9Low50.2Low107 Ų107102 Ų10256%0.5664%0.644SS**Hα-helixtrans-70.6-31.8176.1-70.4166.7000112.8L270 L276 Q277 G278L270-L274 WeakPolarHBondContact O-CG 3.36Å; L270-L274 PolarHBondContact O-N 3.33Å; L270-L274 VanDerWaalsContact O-N 3.07Å; L274-L276 VanDerWaalsContact C-N 3.34Å; L274-L276 PolarHBondContact O-N 3.31Å; L274-Q277 PolarHBondContact O-N 2.96Å; L274-G278 PolarHBondContact O-N 3.27Å
275S53.2Low50.7Low77 Ų77107.4 Ų107.454%0.53864%0.644SS.*Hα-helixtrans-68.2-29.6177.6-172.70000113.6L271L271-S275 PolarHBondContact O-N 3.38Å
276L55.9Low50.6Low116 Ų116108 Ų10861%0.60764%0.643SS**Hα-helixtrans-83.3-26.9177.2-69.6168.4000112.8L274L274-L276 VanDerWaalsContact C-N 3.34Å; L274-L276 PolarHBondContact O-N 3.31Å
277Q53.6Low50.4Low147 Ų147111.9 Ų111.969%0.68765%0.649SS**Hα-helixtrans-80.9-18177-136.2165.524.500113.3K273 L274 K279K273-Q277 PolarHBondContact O-N 2.78Å; L274-Q277 PolarHBondContact O-N 2.96Å; Q277-K279 VanDerWaalsContact C-N 3.31Å; Q277-K279 PolarHBondContact O-N 2.91Å
278G46.8Very low49.5Very low47 Ų47112.7 Ų112.749%0.48566%0.664SS.*THydrogen-bonded Turntrans-75.4-10.6175.300000115.5L274L274-G278 PolarHBondContact O-N 3.27Å
279K50.5Low48.8Very low148 Ų148115.9 Ų115.964%0.64368%0.678SS**THydrogen-bonded Turntrans-92.4-19.2-178-69.4-176178.6-179.90114.2Q277Q277-K279 VanDerWaalsContact C-N 3.31Å; Q277-K279 PolarHBondContact O-N 2.91Å
280E45.8Very low47.8Very low170 Ų170116.5 Ų116.579%0.79468%0.682SS**THydrogen-bonded Turntrans-88.5-21.2175.1-63-163.5159.400113A282E280-A282 VanDerWaalsContact C-N 3.32Å; E280-A282 PolarHBondContact O-N 3.18Å
281A48.7Very low46.9Very low73 Ų73119.9 Ų119.960%0.60370%0.695SS**THydrogen-bonded Turntrans-78.6-11.6173.100000114.1
282A42.6Very low46.2Very low67 Ų67119.2 Ų119.255%0.55470%0.701SS**THydrogen-bonded Turntrans-93.3-12.8-178.300000114E280E280-A282 VanDerWaalsContact C-N 3.32Å; E280-A282 PolarHBondContact O-N 3.18Å
283V45.5Very low45.7Very low119 Ų119118.2 Ų118.272%0.72171%0.706SS**THydrogen-bonded Turntrans-92.3-21.7179.91800000112.4K285V283-K285 VanDerWaalsContact C-N 3.31Å; V283-K285 PolarHBondContact O-N 3.2Å
284A45.8Very low44.8Very low91 Ų91119 Ų11975%0.75272%0.717SS**THydrogen-bonded Turntrans-82.8-0.6174.700000114.4
285K45.5Very low43.7Very low193 Ų193121.9 Ų121.984%0.83973%0.731SS**THydrogen-bonded Turntrans-111.59.5-175.3-133.4174.7-175.51780114.6V283V283-K285 VanDerWaalsContact C-N 3.31Å; V283-K285 PolarHBondContact O-N 3.2Å
286A40.1Very low42.7Very low82 Ų82127.9 Ų127.968%0.67874%0.742SS**SBendtrans-107.710.5-179.800000114.4
287L45.6Very low41.6Very low174 Ų174134.5 Ų134.591%0.91176%0.759SS**SBendtrans-127.591.2169.2-71.8170.3000108.7
288G33Very low40.5Very low83 Ų83137.9 Ų137.986%0.85677%0.766SS**  trans157.364.1174.900000114
289S37.8Very low39.8Very low119 Ų119141.3 Ų141.383%0.83278%0.782SS**  trans-122110.8155.4178.60000107.4
290S35.7Very low38.9Very low99 Ų99140.2 Ų140.269%0.69279%0.793SS**  178.5123.9127.566.10000112.4
291Q35.8Very low38.1Very low187 Ų187135.4 Ų135.487%0.87479%0.789SS**  trans88.2113.6149.1-42.3-156.5-900120.8
292S41.7Very low37.3Very low109 Ų109137.8 Ų137.876%0.76280%0.802SS**  trans-69.1173.7151.753.50000110.5
293P44.6Very low36.6Very low118 Ų118138.5 Ų138.577%0.76682%0.815SS**  cis-146175.926.339-16000118.5
294L35.8Very low35.9Very low172 Ų172137.9 Ų137.990%0.90182%0.823SS**  trans-46.5128.5162.7-78.4134.4000114.3
295I34.1Very low35Very low168 Ų168143.6 Ų143.686%0.86283%0.83SS**  trans-140.4125.4140.2-62.6-173.9000111.1
296R32.3Very low34.1Very low203 Ų203139.1 Ų139.177%0.76683%0.83SS**  trans-41.6137.2169-175.7-174.7-155.2168.84.9116.7
297R31.7Very low33.6Very low255 Ų255144.7 Ų144.796%0.96284%0.842SS**  trans-143.5133.9139.1-97.1-171174-176.6-2.5112.2
298R30.9Very low32.9Very low218 Ų218145.9 Ų145.982%0.82384%0.843SS**  trans-80.8145.8178-73.5167.6130.9-167.5-3.3110.3
299S32.1Very low32.5Very low120 Ų120147.9 Ų147.984%0.83984%0.842SS**  trans-151.4115.4135.558.60000109.2
300S31.7Very low31.9Very low125 Ų125146.8 Ų146.887%0.87484%0.84SS**  trans-72.6122.2179.143.10000111.4
301G29.4Very low31.4Very low68 Ų68148.7 Ų148.770%0.70185%0.848SS**  trans-92.2134.3159.800000110.7
302S30.6Very low31Very low124 Ų124150.3 Ų150.387%0.86785%0.846SS**  trans-23.9127160.649.70000116.6
303G28.6Very low30.2Very low82 Ų82150.5 Ų150.585%0.84584%0.843SS**  trans-107.6113.6161.100000110
304A30.6Very low29.5Very low106 Ų106154.4 Ų154.488%0.87685%0.851SS**  trans-84.2131.3164.900000109.1
305K27Very low29Very low210 Ų210149.3 Ų149.391%0.91384%0.84SS**  trans-114.5133.4162.3-84.1-170.1174-173.50108.5
306A28.1Very low28.5Very low100 Ų100147.8 Ų147.883%0.82684%0.839SS**  trans-83.3142.4170.400000110.2
307E28.7Very low28.3Very low199 Ų199142.3 Ų142.393%0.9383%0.832SS**  trans-153.8154.9152.2-117.5171.4-159.200110.3
308Q29.9Very low28Very low198 Ų198139.1 Ų139.193%0.92583%0.828SS**  trans-90.2164.9-149.5-69.9173.7-9.400115.7
309C24.6Very low27.8Very low126 Ų126138.1 Ų138.185%0.85183%0.832SS**  trans-73.4145.6-178.6-176.20000114
310A26.1Very low27.6Very low96 Ų96141.7 Ų141.779%0.79384%0.836SS**  trans-133.4133.8159.100000110.6
311T25.3Very low27.3Very low139 Ų139144.4 Ų144.485%0.85384%0.835SS**  trans-64.3149.2-179.34.20000113.4
312R26.8Very low27.1Very low221 Ų221149.3 Ų149.383%0.83484%0.844SS**  157126.6110.1-165.4-179.9164.4168-1.5113.7
313T25.4Very low26.8Very low113 Ų113149.8 Ų149.869%0.69384%0.836SS**  trans46.2128.9150.763.50000121.9
314Q29.4Very low26.7Very low199 Ų199152.4 Ų152.493%0.9384%0.836SS**  trans-138.8137.3134.1-73-163.3-5.800111.5
315G26Very low26.4Very low66 Ų66154.5 Ų154.568%0.6883%0.827SS**  trans-96.6152.6167.600000111.5
316T24.1Very low26.3Very low136 Ų136151.5 Ų151.583%0.83483%0.827SS**  trans10.6136.5150.3-170000121.7
317S27.5Very low26.1Very low88 Ų88153.3 Ų153.362%0.61582%0.818SS**  125.311112180.50000114.4
318Q26.2Very low26Very low187 Ų187152 Ų15287%0.87481%0.809SS**  98.5111.7104.4-78.3172.49.300112.4
319Q26.2Very low25.9Very low197 Ų197148.6 Ų148.692%0.92181%0.807SS**PPolyproline II helixtrans-102.2129.7164.9-82.5175.7-29.700107.8
320E27.7Very low26Very low196 Ų196151.4 Ų151.492%0.91681%0.808SS**PPolyproline II helixtrans-100.5133161.8-76.5-177.7153.500108.6
321E25.5Very low26Very low181 Ų181151.5 Ų151.585%0.84680%0.803SS**PPolyproline II helixtrans-78.8146.5171.9-66.4-178.6145.800110.9
322L25.9Very low26Very low171 Ų171153 Ų15390%0.89580%0.804SS**  trans-141116.1152.8-163.570.8000111
323L24.1Very low26Very low134 Ų134146 Ų14670%0.70280%0.801SS**  trans-68.8146.9173.9-73.7149000111.6
324T25.1Very low26Very low137 Ų137146.3 Ų146.384%0.8481%0.807SS**  trans-144.9120.8147-36.40000110.5
325Q24.5Very low26.7Very low150 Ų150142.2 Ų142.270%0.70180%0.798SS**  trans-82147.8178.6-61.1167.3-2.600109.6
326T25Very low26.8Very low147 Ų147147.7 Ų147.790%0.90281%0.811SS**  trans-147127.8146.8-36.10000110.2
327E25Very low26.8Very low138 Ų138144.5 Ų144.565%0.64581%0.805SS**  trans-90.4149.2-168-63.7-172.6102.400113.9
328K25.7Very low26.8Very low172 Ų172148.5 Ų148.575%0.74882%0.818SS**  trans49.2132.5132.9-68.4169.6-174.3146.50120.6
329S27.7Very low26.8Very low126 Ų126147.6 Ų147.688%0.88181%0.814SS**  -170.1136.298.131.30000112.4
330Q27.5Very low27Very low185 Ų185148 Ų14886%0.86481%0.813SS**  trans-85.3166-179.6-65.2166.3-2600110.5
331S26.1Very low27.1Very low98 Ų98144.7 Ų144.769%0.68580%0.801SS**  159.4151.298.669.30000116.3
332I24.9Very low27.3Very low172 Ų172145.3 Ų145.388%0.88280%0.804SS**  trans92.6117.7148.8-57.8150.4000119.6
333G26.1Very low27.7Very low74 Ų74142.3 Ų142.376%0.76379%0.793SS**  trans164.180154.200000115.4
334S26.2Very low28.6Very low119 Ų119142.7 Ų142.783%0.83280%0.796SS**  trans-102.6-179.2161.8-580000109.2
335P43.6Very low29.4Very low113 Ų113140.1 Ų140.173%0.73478%0.783SS**  cis-130.2-179.1-30.224.8-2.5000111.5
336L27.7Very low30.5Very low180 Ų180139.4 Ų139.494%0.94278%0.784SS**  175.9135.3127.8-92.8159.2000110.5
337G23.7Very low31.4Very low69 Ų69139 Ų13971%0.71177%0.772SS**  trans-99.3-177.7-162.500000116.7
338L28.2Very low32.5Very low172 Ų172138.5 Ų138.590%0.90177%0.773SS**  trans-158.3118.6148-140.179.1000108.9
339E26.2Very low33.7Very low168 Ų168135.1 Ų135.179%0.78577%0.767SS**  trans-76.4141.7172.6-59.3-164.1151.300111.4
340K31.2Very low34.8Very low207 Ų207131.3 Ų131.390%0.974%0.743SS**  trans-148.3134.1139-74.4-162.4177.9167.10111.4
341N29.1Very low35.9Very low125 Ų125128.8 Ų128.867%0.66873%0.729SS**  trans-72.4141.4-171.8-64.3-54.2000114.4
342H29Very low37.2Very low194 Ų194129.8 Ų129.890%0.89873%0.725SS**  trans-143.788.1143.4-96.3-67.3000109.3
343T36.1Very low38.4Very low108 Ų108124 Ų12466%0.66370%0.704SS**  trans-77.7126.2165.543.10000109
344N42.5Very low39.4Very low143 Ų143128 Ų12877%0.76570%0.7SS**SBendtrans165.55.9144.2-81.1-9.7000114.6
345S41.9Very low40.4Very low83 Ų83129.5 Ų129.558%0.5869%0.694SS**SBendtrans-103.3-15.417547.70000115
346N47.9Very low40.5Very low135 Ų135128.1 Ų128.172%0.72268%0.684SS**Hα-helixtrans-84.8-11.3-175.1-77.7-13.1000115A350N346-A350 WeakPolarHBondContact O-CB 3.23Å; N346-A350 PolarHBondContact O-N 3.04Å
347E43.9Very low41.3Very low137 Ų137124.8 Ų124.864%0.6467%0.667SS**Hα-helixtrans-82.9-18.5-176.6-134.2-179.2173.800113.6K351E347-K351 WeakPolarHBondContact O-CG 3.18Å
348L47.7Very low42.5Very low129 Ų129127.5 Ų127.568%0.67566%0.661SS**Hα-helixtrans-87.4-33.8176.1-77.5161.7000112.2
349V51.3Low43.1Very low100 Ų100129.4 Ų129.461%0.60666%0.656SS**Hα-helixtrans-75.4-34.1178.8-178.20000111.5K351 I352 A353V349-K351 VanDerWaalsContact C-N 3.3Å; V349-K351 PolarHBondContact O-N 3.03Å; V349-I352 PolarHBondContact O-N 3.38Å; V349-A353 PolarHBondContact O-N 3.2Å
350A50Low43.9Very low46 Ų46127.1 Ų127.138%0.3865%0.649SS.*Hα-helixtrans-72.1-1917700000114.1N346 K354N346-A350 WeakPolarHBondContact O-CB 3.23Å; N346-A350 PolarHBondContact O-N 3.04Å; A350-K354 VanDerWaalsContact O-CG 3.32Å; A350-K354 WeakPolarHBondContact O-CG 3.4Å
351K50.6Low44.5Very low132 Ų132122.6 Ų122.657%0.57463%0.633SS**Hα-helixtrans-80.5-36.6176-73.6177.3-176.61780112E347 V349 K354 E355E347-K351 WeakPolarHBondContact O-CG 3.18Å; V349-K351 VanDerWaalsContact C-N 3.3Å; V349-K351 PolarHBondContact O-N 3.03Å; K351-K354 PolarHBondContact O-N 3.38Å; K351-E355 PolarHBondContact O-N 3.26Å
352I52.8Low45.1Very low119 Ų119122.8 Ų122.861%0.6163%0.634SS**Hα-helixtrans-72-34.3178.7-62.3171.2000111.6V349 T356V349-I352 PolarHBondContact O-N 3.38Å; I352-T356 PolarHBondContact O-OG1 2.95Å
353A49.9Very low45.6Very low52 Ų52119 Ų11943%0.4362%0.624SS.*Hα-helixtrans-71-29.1176.500000113.5V349 T356V349-A353 PolarHBondContact O-N 3.2Å; A353-T356 PolarHBondContact O-OG1 3.14Å
354K48.3Very low45.8Very low157 Ų157119.6 Ų119.668%0.68363%0.628SS**Hα-helixtrans-81.4-28.7-179-72.2178.2-178.9-175.70113.6A350 K351 T356 Q358A350-K354 VanDerWaalsContact O-CG 3.32Å; A350-K354 WeakPolarHBondContact O-CG 3.4Å; K351-K354 PolarHBondContact O-N 3.38Å; K354-T356 VanDerWaalsContact C-N 3.34Å; K354-Q358 PolarHBondContact O-N 2.73Å
355E47.8Very low45.4Very low150 Ų150120 Ų12070%0.70163%0.63SS**Hα-helixtrans-75.1-23.1175.6-78.7-177.2155.300113.3K351K351-E355 PolarHBondContact O-N 3.26Å
356T45.3Very low44.9Very low85 Ų85122.7 Ų122.752%0.52165%0.647SS.*Hα-helixtrans-82.9-33.4179.731.30000112.7I352 A353 K354I352-T356 PolarHBondContact O-OG1 2.95Å; A353-T356 PolarHBondContact O-OG1 3.14Å; K354-T356 VanDerWaalsContact C-N 3.34Å
357D44.2Very low44.1Very low109 Ų109120 Ų12058%0.58365%0.651SS**Hα-helixtrans-76.2-30.7175.9-76.7-19.6000113.2R359 L360D357-R359 VanDerWaalsContact C-N 3.32Å; D357-R359 PolarHBondContact O-N 3.27Å; D357-L360 PolarHBondContact O-N 3.37Å
358Q47.7Very low43.5Very low126 Ų126123.1 Ų123.159%0.58966%0.663SS**Hα-helixtrans-69.2-29.4178.8-153.475.138.900112.6K354K354-Q358 PolarHBondContact O-N 2.73Å
359R41.5Very low42.7Very low213 Ų213124.7 Ų124.780%0.80467%0.666SS**Hα-helixtrans-78.8-12.3179.1-97.2-172.6179.1-161.31.3115D357D357-R359 VanDerWaalsContact C-N 3.32Å; D357-R359 PolarHBondContact O-N 3.27Å
360L42.4Very low41.8Very low120 Ų120128.1 Ų128.163%0.62867%0.673SS**Hα-helixtrans-95.4-13.5179.2-82.2163.4000113.2D357 T363D357-L360 PolarHBondContact O-N 3.37Å; L360-T363 PolarHBondContact O-OG1 3.47Å
361I44.2Very low40.7Very low112 Ų112134.2 Ų134.257%0.57469%0.694SS**Hα-helixtrans-91.4-27.7-178.8-63.1166.6000111.4T363I361-T363 VanDerWaalsContact C-N 3.29Å; I361-T363 PolarHBondContact O-N 2.95Å
362D41.4Very low39.7Very low128 Ų128137.1 Ų137.168%0.68471%0.709SS**THydrogen-bonded Turntrans-78.3-5.8-178.9-66.2-18.6000114.4
363T39.8Very low38.6Very low114 Ų114136.4 Ų136.470%0.69972%0.715SS**THydrogen-bonded Turntrans-98.4-0.2178.9490000114.7L360 I361L360-T363 PolarHBondContact O-OG1 3.47Å; I361-T363 VanDerWaalsContact C-N 3.29Å; I361-T363 PolarHBondContact O-N 2.95Å
364V40.1Very low37.7Very low121 Ų121143.4 Ų143.473%0.73374%0.736SS**SBendtrans-113.4-3.3-174.6-171.10000113.3
365D34.8Very low36.7Very low153 Ų153140.6 Ų140.682%0.81874%0.736SS**  trans-122.767.3-176.2-136.3-3.4000112.5
366C31.5Very low35.8Very low139 Ų139139 Ų13994%0.93974%0.742SS**  trans-150.891.7163.6-135.10000110
367G31Very low35.1Very low77 Ų77138.7 Ų138.779%0.79476%0.755SS**  trans154.967.3167.400000115.7
368K31.7Very low34.5Very low204 Ų204137 Ų13789%0.88776%0.763SS**  trans-144149158.5-109178.4-177.9175.80110.9
369E30.1Very low34Very low161 Ų161139.6 Ų139.675%0.75278%0.779SS**  trans93.1126-172-55.4-163.4-162.700113.6
370K31.8Very low33.8Very low172 Ų172135.7 Ų135.775%0.74878%0.779SS**  cis-161.4156.315-118.5164.6-177.91350111.3
371E28.4Very low33.9Very low174 Ų174134.7 Ų134.781%0.81378%0.782SS**  trans-4.4139.1164-57.2-176.6154.700122
372E28.3Very low33.7Very low193 Ų193138 Ų13890%0.90280%0.8SS**  -176147.9109.1-102.4-176.7-179.600113.7
373S29.7Very low33.8Very low105 Ų105137.1 Ų137.173%0.73480%0.799SS**  trans-73.5139-177.553.30000115.1
374K30.8Very low33.8Very low199 Ų199135.8 Ų135.887%0.86580%0.799SS**  trans-175.2122140.6-106.3161.6-173.8173.60114.2
375S27.8Very low33.6Very low97 Ų97137.3 Ų137.368%0.67880%0.804SS**  trans35.4128.8136.9650000122.8
376S30.1Very low33.7Very low118 Ų118140.4 Ų140.483%0.82581%0.805SS**  trans59.9124.3133.866.30000120.4
377G29.9Very low34Very low78 Ų78139.1 Ų139.180%0.80480%0.798SS**  trans166.1118.8158.300000112.5
378G32.1Very low34.4Very low73 Ų73142.6 Ų142.675%0.75380%0.798SS**PPolyproline II helixtrans-70.3161.9-172.400000115T380G378-T380 PolarHBondContact O-N 3.12Å
379I35.9Very low35.1Very low180 Ų180138.3 Ų138.392%0.92379%0.794SS**PPolyproline II helixtrans-72.3117-179.9-53.7162.4000108.2
380T38.7Very low35.9Very low131 Ų131138.3 Ų138.380%0.80480%0.799SS**PPolyproline II helixtrans-84116.8173.445.50000110.1G378G378-T380 PolarHBondContact O-N 3.12Å
381S43.2Very low36.8Very low100 Ų100135 Ų13570%0.69980%0.798SS**PPolyproline II helixtrans-77.8120.5171.2164.60000109.7V383S381-V383 PolarHBondContact O-N 3.35Å
382L40.7Very low37.6Very low182 Ų182134.2 Ų134.295%0.95380%0.799SS**  trans-85.489.7168.4-88.1155.6000109.1
383V44Very low38.4Very low109 Ų109134.2 Ų134.266%0.66182%0.82SS**  trans-121.9128161.5176.10000106.9S381S381-V383 PolarHBondContact O-N 3.35Å
384A39.4Very low38.9Very low85 Ų85135.7 Ų135.770%0.70283%0.825SS**  trans-82.2112.9177.700000109.6
385D35.3Very low39.3Very low154 Ų154132.3 Ų132.382%0.82482%0.822SS**  trans-78.2118.1168-74.7-32.2000109.3
386Y37.3Very low39.9Very low218 Ų218134.3 Ų134.386%0.85583%0.83SS**  trans-102.6100.3164.2-93.6-88.9000108.2
387S36.9Very low40.5Very low111 Ų111135.2 Ų135.278%0.77683%0.831SS**  trans-101.9115.1163.1-840000107.9
388D40.9Very low41.2Very low150 Ų150138.8 Ų138.880%0.80283%0.832SS**  trans-133.496.8158.8-91.5-28.8000107.5
389S45.2Very low41.8Very low114 Ų114143.2 Ų143.280%0.79784%0.838SS**  trans-103.6112.9153.2-81.80000105.5
390D46.7Very low42.2Very low161 Ų161140.6 Ų140.686%0.86183%0.832SS**  trans-132.2128.5154.3-96-29.4000109.3
391S52.4Low42.5Very low103 Ų103141.3 Ų141.372%0.7283%0.834SS**  trans-86143.1172.9-50.50000107.4
392D45.5Very low42.4Very low158 Ų158144.8 Ų144.885%0.84585%0.845SS**  178.2145128.1-96.6-25.4000112.5
393S44.7Very low42.6Very low192 Ų192141.4 Ų141.4100%1.34384%0.835SS**  trans86.70163.6-46.30000119

Retrieved 393 of 393 residues in 371.1 ms (Link to these results)

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